A0A5K4FBB6_SCHMA Loading...

MTP_lip_bd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M38.1Very low46Very low52 Ų5270.3 Ų70.326%0.25632%0.319SS..  0-66.30-164.3163.6-14800112.7T3 R4 Y5 N161 D164 T166M1-T3 PolarHBondContact O-N 3.42Å; M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 PolarHBondContact O-N 3.01Å; M1-Y5 PolarHBondContact O-N 3.28Å; M1-N161 HydrophobicContact CE-CB 3.47Å; M1-N161 VanDerWaalsContact CE-CB 3.47Å; M1-N161 WeakPolarHBondContact CE-ND2 3.4Å; M1-N161 HydrophobicContact CG-CB 4.1Å; M1-N161 HydrophobicContact SD-CB 3.08Å; M1-N161 WeakPolarHBondContact SD-CB 3.35Å; M1-D164 HydrophobicContact CE-CB 3.12Å; M1-D164 VanDerWaalsContact CE-OD2 3.23Å; M1-D164 WeakPolarHBondContact CE-OD2 3.42Å; M1-T166 HydrophobicContact CE-CG2 3.54Å; M1-T166 WeakPolarHBondContact CE-OG1 3.25Å; M1-T166 PolarHBondContact SD-OG1 3.49Å
2I39.9Very low47Very low66 Ų6676.6 Ų76.634%0.33834%0.34SS..Hα-helixtrans-48.5-45.3170-56.3176.8000110.9R4 Y5 I6 L134 L159I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.3Å; I2-Y5 PolarHBondContact O-N 3.4Å; I2-I6 HydrophobicContact CG2-CD1 3.65Å; I2-I6 HydrophobicContact CG2-CG1 4.22Å; I2-I6 WeakPolarHBondContact O-CB 3.35Å; I2-I6 VanDerWaalsContact O-CG1 3.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.17Å; I2-I6 PolarHBondContact O-N 3.25Å; I2-L134 HydrophobicContact CD1-CD1 3.41Å; I2-L134 VanDerWaalsContact CD1-CD1 3.41Å; I2-L134 HydrophobicContact CD1-CD2 4.02Å; I2-L134 HydrophobicContact CD1-CG 4.3Å; I2-L134 HydrophobicContact CG1-CD1 3.56Å; I2-L134 HydrophobicContact CG1-CD2 3.73Å; I2-L134 HydrophobicContact CG1-CG 4.27Å; I2-L159 HydrophobicContact CD1-CD2 4.18Å
3T38.4Very low47.7Very low49 Ų4972.4 Ų72.430%0.30132%0.322SS..Hα-helixtrans-54.7-43.4174-43.90000114.1M1 Y7 I258M1-T3 PolarHBondContact O-N 3.42Å; T3-Y7 WeakPolarHBondContact O-CB 3.42Å; T3-Y7 PolarHBondContact O-N 2.76Å; T3-I258 HydrophobicContact CG2-CD1 3.25Å; T3-I258 HydrophobicContact CG2-CG1 3.61Å
4R41.4Very low48.3Very low182 Ų18269.6 Ų69.669%0.68731%0.312SS*.Hα-helixtrans-76-36.6-178.3-170.4176-176.4178.3-1.4110.4M1 I2 N8M1-R4 WeakPolarHBondContact O-CA 3.33Å; M1-R4 PolarHBondContact O-N 3.01Å; I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.3Å; R4-N8 WeakPolarHBondContact O-CB 3.36Å; R4-N8 PolarHBondContact O-N 2.76Å; R4-N8 PolarHBondContact O-ND2 2.96Å; R4-N8 PolarHBondContact O-OD1 3.2Å
5Y43.5Very low49.2Very low116 Ų11672.6 Ų72.646%0.45533%0.329SS..Hα-helixtrans-62.9-51.5172.2177.5-98.7000111.2M1 I2 Y7 N8 K9M1-Y5 PolarHBondContact O-N 3.28Å; I2-Y5 PolarHBondContact O-N 3.4Å; Y5-Y7 PolarHBondContact O-N 2.64Å; Y5-N8 PolarHBondContact O-N 2.85Å; Y5-K9 HydrophobicContact CE1-CD 4.18Å; Y5-K9 VanDerWaalsContact O-CB 3.27Å; Y5-K9 WeakPolarHBondContact O-CB 3.33Å; Y5-K9 PolarHBondContact O-N 2.86Å
6I46.5Very low49.7Very low24 Ų2470.8 Ų70.812%0.12332%0.323CS..Hα-helixtrans-57.9-48.2175.5-70.3174.2000110.5I2 K9 L10 Y58 M62I2-I6 HydrophobicContact CG2-CD1 3.65Å; I2-I6 HydrophobicContact CG2-CG1 4.22Å; I2-I6 WeakPolarHBondContact O-CB 3.35Å; I2-I6 VanDerWaalsContact O-CG1 3.3Å; I2-I6 WeakPolarHBondContact O-CG1 3.17Å; I2-I6 PolarHBondContact O-N 3.25Å; I6-K9 PolarHBondContact O-N 2.88Å; I6-L10 HydrophobicContact CG2-CD1 3.67Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 PolarHBondContact O-N 3.24Å; I6-Y58 WeakPolarHBondContact CG2-OH 3.49Å; I6-M62 HydrophobicContact CD1-CE 4.49Å
7Y46Very low50Low95 Ų9567.8 Ų67.837%0.37331%0.309SS..Hα-helixtrans-61.5-47.1178178.9-93.2000112.5T3 Y5 K9 T11 I262T3-Y7 WeakPolarHBondContact O-CB 3.42Å; T3-Y7 PolarHBondContact O-N 2.76Å; Y5-Y7 PolarHBondContact O-N 2.64Å; Y7-K9 VanDerWaalsContact C-N 3.34Å; Y7-K9 PolarHBondContact O-N 3.47Å; Y7-T11 WeakPolarHBondContact O-CB 3.13Å; Y7-T11 PolarHBondContact O-N 2.94Å; Y7-T11 PolarHBondContact O-OG1 2.93Å; Y7-I262 HydrophobicContact CD2-CD1 4.37Å; Y7-I262 HydrophobicContact CE2-CD1 3.91Å
8N50.6Low50.4Low85 Ų8568.2 Ų68.246%0.45531%0.312SS..Hα-helixtrans-64.1-40.6178.1-74.6-9.1000111R4 Y5 T11 Y12R4-N8 WeakPolarHBondContact O-CB 3.36Å; R4-N8 PolarHBondContact O-N 2.76Å; R4-N8 PolarHBondContact O-ND2 2.96Å; R4-N8 PolarHBondContact O-OD1 3.2Å; Y5-N8 PolarHBondContact O-N 2.85Å; N8-T11 PolarHBondContact O-N 3.21Å; N8-Y12 WeakPolarHBondContact O-CB 3.49Å; N8-Y12 PolarHBondContact O-N 2.88Å
9K52.8Low50.9Low51 Ų5167.2 Ų67.222%0.22231%0.314CS..Hα-helixtrans-68-44.8179.6-164.9170.7-175.4-178.20111.4Y5 I6 Y7 Y12 Q13 E61Y5-K9 HydrophobicContact CE1-CD 4.18Å; Y5-K9 VanDerWaalsContact O-CB 3.27Å; Y5-K9 WeakPolarHBondContact O-CB 3.33Å; Y5-K9 PolarHBondContact O-N 2.86Å; I6-K9 PolarHBondContact O-N 2.88Å; Y7-K9 VanDerWaalsContact C-N 3.34Å; Y7-K9 PolarHBondContact O-N 3.47Å; K9-Y12 PolarHBondContact O-N 3.29Å; K9-Q13 WeakPolarHBondContact O-CB 3.42Å; K9-Q13 WeakPolarHBondContact O-CG 3.44Å; K9-Q13 PolarHBondContact O-N 3.4Å; K9-E61 WeakPolarHBondContact CE-OE2 3.37Å; K9-E61 IonicContact NZ-OE1 3.24Å; K9-E61 PolarHBondContact NZ-OE1 3.47Å; K9-E61 IonicContact NZ-OE2 3.94Å; K9-E61 PolarHBondContact NZ-OE2 3.15Å
10L53.2Low51.1Low23 Ų2370.1 Ų70.112%0.1232%0.323CS..Hα-helixtrans-62-45172.6-86.9157.5000111.9I6 Y12 Q13 L14 Y58 L274I6-L10 HydrophobicContact CG2-CD1 3.67Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 PolarHBondContact O-N 3.24Å; L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 2.88Å; L10-Q13 PolarHBondContact O-N 3.36Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.09Å; L10-Y58 HydrophobicContact CD1-CE2 4.28Å; L10-Y58 HydrophobicContact CD2-CE2 4.48Å; L10-Y58 HydrophobicContact CG-CE2 4.13Å; L10-L274 HydrophobicContact CD1-CD2 4.03Å; L10-L274 HydrophobicContact CD2-CD2 4.11Å
11T56Low51.4Low30 Ų3068.1 Ų68.118%0.18431%0.314CS..Hα-helixtrans-62.9-42.4177.7-58.80000110.6Y7 N8 L14 M15Y7-T11 WeakPolarHBondContact O-CB 3.13Å; Y7-T11 PolarHBondContact O-N 2.94Å; Y7-T11 PolarHBondContact O-OG1 2.93Å; N8-T11 PolarHBondContact O-N 3.21Å; T11-L14 PolarHBondContact O-N 3.49Å; T11-M15 HydrophobicContact CG2-CE 3.95Å; T11-M15 HydrophobicContact CG2-SD 4.5Å; T11-M15 WeakPolarHBondContact O-CB 3.35Å; T11-M15 WeakPolarHBondContact O-CG 3.2Å; T11-M15 PolarHBondContact O-N 3.39Å
12Y57.9Low52.5Low146 Ų14673 Ų7357%0.57333%0.334SS*.Hα-helixtrans-64-42.8176.1-179.8-103.4000112N8 K9 L10 M15 N16N8-Y12 WeakPolarHBondContact O-CB 3.49Å; N8-Y12 PolarHBondContact O-N 2.88Å; K9-Y12 PolarHBondContact O-N 3.29Å; L10-Y12 VanDerWaalsContact C-N 3.32Å; L10-Y12 PolarHBondContact O-N 2.88Å; Y12-M15 PolarHBondContact O-N 3.03Å; Y12-N16 WeakPolarHBondContact CD1-ND2 3.02Å; Y12-N16 WeakPolarHBondContact CE1-ND2 3.46Å; Y12-N16 WeakPolarHBondContact O-CB 3.41Å; Y12-N16 VanDerWaalsContact O-CG 3.27Å; Y12-N16 PolarHBondContact O-N 2.92Å; Y12-N16 PolarHBondContact O-ND2 3.07Å
13Q55.3Low53.3Low22 Ų2274.5 Ų74.510%0.10334%0.339CS..Hα-helixtrans-62.4-44.8174-75.8174.9-29.400111.4K9 L10 M15 N16 I17K9-Q13 WeakPolarHBondContact O-CB 3.42Å; K9-Q13 WeakPolarHBondContact O-CG 3.44Å; K9-Q13 PolarHBondContact O-N 3.4Å; L10-Q13 PolarHBondContact O-N 3.36Å; Q13-M15 PolarHBondContact O-N 3.35Å; Q13-N16 WeakPolarHBondContact O-CB 3.21Å; Q13-N16 PolarHBondContact O-N 2.89Å; Q13-N16 VanDerWaalsContact O-N 3.16Å; Q13-I17 WeakPolarHBondContact O-CG1 3.44Å; Q13-I17 PolarHBondContact O-N 3.34Å
14L56.6Low54Low34 Ų3474.8 Ų74.818%0.17834%0.341CS..Hα-helixtrans-59.9-43.4174.2-75.1169.2000112.2L10 T11 N16 I17 Q18 I262 T264 I272L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.09Å; T11-L14 PolarHBondContact O-N 3.49Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.25Å; L14-I17 PolarHBondContact O-N 3.1Å; L14-Q18 WeakPolarHBondContact O-CG 3.48Å; L14-Q18 PolarHBondContact O-N 2.97Å; L14-I262 HydrophobicContact CD1-CG2 4.23Å; L14-T264 HydrophobicContact CD2-CG2 4.3Å; L14-I272 HydrophobicContact CD2-CD1 4.5Å
15M61.9Low54.6Low114 Ų11470 Ų7056%0.56232%0.323SS*.Hα-helixtrans-63.4-38.4175-75-176178.100112T11 Y12 Q13 Q18 S19T11-M15 HydrophobicContact CG2-CE 3.95Å; T11-M15 HydrophobicContact CG2-SD 4.5Å; T11-M15 WeakPolarHBondContact O-CB 3.35Å; T11-M15 WeakPolarHBondContact O-CG 3.2Å; T11-M15 PolarHBondContact O-N 3.39Å; Y12-M15 PolarHBondContact O-N 3.03Å; Q13-M15 PolarHBondContact O-N 3.35Å; M15-Q18 PolarHBondContact O-N 3.24Å; M15-S19 WeakPolarHBondContact O-CB 3.44Å; M15-S19 PolarHBondContact O-N 3.44Å
16N57.2Low55.2Low44 Ų4467.4 Ų67.424%0.23532%0.322CS..Hα-helixtrans-65.5-44175.2-73.8-21.2000111.6Y12 Q13 L14 Q18 S19 Y20Y12-N16 WeakPolarHBondContact CD1-ND2 3.02Å; Y12-N16 WeakPolarHBondContact CE1-ND2 3.46Å; Y12-N16 WeakPolarHBondContact O-CB 3.41Å; Y12-N16 VanDerWaalsContact O-CG 3.27Å; Y12-N16 PolarHBondContact O-N 2.92Å; Y12-N16 PolarHBondContact O-ND2 3.07Å; Q13-N16 WeakPolarHBondContact O-CB 3.21Å; Q13-N16 PolarHBondContact O-N 2.89Å; Q13-N16 VanDerWaalsContact O-N 3.16Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.25Å; N16-Q18 VanDerWaalsContact C-N 3.35Å; N16-Q18 PolarHBondContact O-N 3.23Å; N16-S19 WeakPolarHBondContact O-CB 3.37Å; N16-S19 PolarHBondContact O-N 3.01Å; N16-S19 VanDerWaalsContact O-N 3.16Å; N16-Y20 VanDerWaalsContact O-CD2 3.24Å; N16-Y20 WeakPolarHBondContact O-CD2 3.36Å; N16-Y20 PolarHBondContact O-N 3.11Å
17I55.2Low55.5Low19 Ų1972.2 Ų72.210%0.09735%0.345CS..Hα-helixtrans-56.8-49.8174.6-68.2162.3000109.9Q13 L14 S19 Y20 E21 F50 I51 Q54 L266Q13-I17 WeakPolarHBondContact O-CG1 3.44Å; Q13-I17 PolarHBondContact O-N 3.34Å; L14-I17 PolarHBondContact O-N 3.1Å; I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.16Å; I17-Y20 PolarHBondContact O-N 3.45Å; I17-E21 WeakPolarHBondContact O-CB 2.88Å; I17-E21 PolarHBondContact O-N 3.43Å; I17-F50 HydrophobicContact CG1-CD1 4.36Å; I17-F50 HydrophobicContact CG1-CE1 4.11Å; I17-I51 HydrophobicContact CD1-CG1 4.2Å; I17-I51 HydrophobicContact CG2-CD1 4.36Å; I17-I51 HydrophobicContact CG2-CG1 4.19Å; I17-Q54 VanDerWaalsContact CG1-OE1 3.31Å; I17-L266 HydrophobicContact CG2-CD2 4.28Å
18Q56.5Low55.6Low75 Ų7570.1 Ų70.135%0.3534%0.34SS..Hα-helixtrans-61.7-36177.2-72.2179.7-12.100112.8L14 M15 N16 K22 T264L14-Q18 WeakPolarHBondContact O-CG 3.48Å; L14-Q18 PolarHBondContact O-N 2.97Å; M15-Q18 PolarHBondContact O-N 3.24Å; N16-Q18 VanDerWaalsContact C-N 3.35Å; N16-Q18 PolarHBondContact O-N 3.23Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.39Å; Q18-T264 PolarHBondContact NE2-OG1 3.39Å
19S59.7Low55.8Low50 Ų5071.7 Ų71.735%0.3535%0.348SS..Hα-helixtrans-68.9-45.4176.5-179.50000111.7M15 N16 I17 E21 K22 Q23M15-S19 WeakPolarHBondContact O-CB 3.44Å; M15-S19 PolarHBondContact O-N 3.44Å; N16-S19 WeakPolarHBondContact O-CB 3.37Å; N16-S19 PolarHBondContact O-N 3.01Å; N16-S19 VanDerWaalsContact O-N 3.16Å; I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.16Å; S19-E21 VanDerWaalsContact C-N 3.34Å; S19-K22 PolarHBondContact O-N 2.81Å; S19-Q23 WeakPolarHBondContact O-CG 3.47Å; S19-Q23 PolarHBondContact O-N 2.72Å
20Y56.1Low56Low125 Ų12575.9 Ų75.949%0.4937%0.374SS..Hα-helixtrans-60.5-45.8175.3-88.3-68.1000110.9N16 I17 K22 Q23 T24 F50N16-Y20 VanDerWaalsContact O-CD2 3.24Å; N16-Y20 WeakPolarHBondContact O-CD2 3.36Å; N16-Y20 PolarHBondContact O-N 3.11Å; I17-Y20 PolarHBondContact O-N 3.45Å; Y20-K22 PolarHBondContact O-N 2.93Å; Y20-Q23 WeakPolarHBondContact O-CB 3.2Å; Y20-Q23 PolarHBondContact O-N 2.98Å; Y20-Q23 VanDerWaalsContact O-N 3.12Å; Y20-T24 PolarHBondContact O-N 2.78Å; Y20-T24 PolarHBondContact O-OG1 3.1Å; Y20-F50 HydrophobicContact CD2-CE1 4.08Å; Y20-F50 AromaticContact CD2-CZ 3.93Å; Y20-F50 HydrophobicContact CD2-CZ 3.93Å; Y20-F50 AromaticContact CE2-CZ 3.9Å; Y20-F50 HydrophobicContact CE2-CZ 3.9Å
21E56.1Low56Low29 Ų2979 Ų7914%0.13639%0.394CS..Hα-helixtrans-56.4-49.3176.3-172.5176-160.900111.2I17 S19 Q23 T24 Y25 S267 S268I17-E21 WeakPolarHBondContact O-CB 2.88Å; I17-E21 PolarHBondContact O-N 3.43Å; S19-E21 VanDerWaalsContact C-N 3.34Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.36Å; E21-T24 PolarHBondContact O-N 3.26Å; E21-Y25 HydrophobicContact CG-CD2 3.77Å; E21-Y25 HydrophobicContact CG-CE2 3.6Å; E21-Y25 VanDerWaalsContact O-CD2 3.23Å; E21-Y25 WeakPolarHBondContact O-CD2 3.5Å; E21-Y25 PolarHBondContact O-N 2.75Å; E21-S267 WeakPolarHBondContact CG-OG 3.12Å; E21-S267 VanDerWaalsContact OE1-CA 3.27Å; E21-S267 WeakPolarHBondContact OE1-CA 3.34Å; E21-S267 WeakPolarHBondContact OE1-CB 3.18Å; E21-S267 PolarHBondContact OE1-N 3.05Å; E21-S267 PolarHBondContact OE1-OG 2.82Å; E21-S267 PolarHBondContact OE2-OG 3.45Å; E21-S268 PolarHBondContact OE1-N 2.7Å
22K62Low55.6Low155 Ų15586.1 Ų86.167%0.67442%0.422SS*.Hα-helixtrans-58.4-40.6175.1-78.1176.8-178.5174.80113.3Q18 S19 Y20 Y25 S26Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.39Å; S19-K22 PolarHBondContact O-N 2.81Å; Y20-K22 PolarHBondContact O-N 2.93Å; K22-Y25 PolarHBondContact O-N 2.78Å; K22-S26 PolarHBondContact O-N 2.71Å
23Q57Low55.3Low96 Ų9685.5 Ų85.545%0.44943%0.428SS..Hα-helixtrans-63.9-45.3177.3-73.5176.718.600110.8S19 Y20 E21 Y25 S26 M27S19-Q23 WeakPolarHBondContact O-CG 3.47Å; S19-Q23 PolarHBondContact O-N 2.72Å; Y20-Q23 WeakPolarHBondContact O-CB 3.2Å; Y20-Q23 PolarHBondContact O-N 2.98Å; Y20-Q23 VanDerWaalsContact O-N 3.12Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.36Å; Q23-Y25 PolarHBondContact O-N 3.31Å; Q23-S26 WeakPolarHBondContact O-CB 3.36Å; Q23-S26 PolarHBondContact O-N 3Å; Q23-S26 VanDerWaalsContact O-N 3.13Å; Q23-S26 PolarHBondContact O-OG 3.05Å; Q23-M27 WeakPolarHBondContact O-CG 2.99Å; Q23-M27 PolarHBondContact O-N 3.09Å
24T51.9Low55.1Low55 Ų5591.5 Ų91.534%0.33746%0.461SS..Hα-helixtrans-61.4-45.7176.8-47.50000111.1Y20 E21 S26 M27 I28 I43Y20-T24 PolarHBondContact O-N 2.78Å; Y20-T24 PolarHBondContact O-OG1 3.1Å; E21-T24 PolarHBondContact O-N 3.26Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 2.98Å; T24-M27 PolarHBondContact O-N 3.26Å; T24-I28 HydrophobicContact CG2-CD1 4.25Å; T24-I28 WeakPolarHBondContact O-CD1 3.38Å; T24-I28 VanDerWaalsContact O-CG1 3.23Å; T24-I28 WeakPolarHBondContact O-CG1 3.39Å; T24-I28 PolarHBondContact O-N 3Å; T24-I43 HydrophobicContact CG2-CG1 4.15Å
25Y54.9Low55Low82 Ų8293.7 Ų93.732%0.32247%0.473SS..Hα-helixtrans-60.7-35.6173.3-83.4-74.4000113.4E21 K22 Q23 I28 N29 S267E21-Y25 HydrophobicContact CG-CD2 3.77Å; E21-Y25 HydrophobicContact CG-CE2 3.6Å; E21-Y25 VanDerWaalsContact O-CD2 3.23Å; E21-Y25 WeakPolarHBondContact O-CD2 3.5Å; E21-Y25 PolarHBondContact O-N 2.75Å; K22-Y25 PolarHBondContact O-N 2.78Å; Q23-Y25 PolarHBondContact O-N 3.31Å; Y25-I28 HydrophobicContact CD1-CD1 4.36Å; Y25-I28 PolarHBondContact O-N 2.88Å; Y25-N29 PolarHBondContact O-N 3.14Å; Y25-N29 VanDerWaalsContact O-N 3.16Å; Y25-S267 WeakPolarHBondContact CE2-OG 3.27Å; Y25-S267 VanDerWaalsContact OH-C 3.31Å; Y25-S267 PolarHBondContact OH-O 3.35Å; Y25-S267 VanDerWaalsContact OH-O 3.13Å
26S56.6Low54.8Low62 Ų6294 Ų9443%0.43448%0.477SS..Hα-helixtrans-65.6-42.2174.5820000112K22 Q23 T24 I28 N29 D30K22-S26 PolarHBondContact O-N 2.71Å; Q23-S26 WeakPolarHBondContact O-CB 3.36Å; Q23-S26 PolarHBondContact O-N 3Å; Q23-S26 VanDerWaalsContact O-N 3.13Å; Q23-S26 PolarHBondContact O-OG 3.05Å; T24-S26 VanDerWaalsContact C-N 3.3Å; T24-S26 PolarHBondContact O-N 2.98Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 3.39Å; S26-N29 PolarHBondContact O-N 3.16Å; S26-D30 PolarHBondContact O-N 3.17Å
27M52.6Low54.7Low124 Ų12499.8 Ų99.861%0.61150%0.502SS*.Hα-helixtrans-65.4-35.4177-68.8-177.5-179.900111.8Q23 T24 D30 V31Q23-M27 WeakPolarHBondContact O-CG 2.99Å; Q23-M27 PolarHBondContact O-N 3.09Å; T24-M27 PolarHBondContact O-N 3.26Å; M27-D30 PolarHBondContact O-N 3.03Å; M27-V31 WeakPolarHBondContact O-CG2 3.08Å; M27-V31 PolarHBondContact O-N 2.88Å; M27-V31 VanDerWaalsContact O-N 3.15Å
28I47.8Very low54.5Low51 Ų51104.7 Ų104.726%0.26253%0.525SS..Hα-helixtrans-65.5-41.6177-67.6160.6000111.5T24 Y25 S26 D30 V31 I43T24-I28 HydrophobicContact CG2-CD1 4.25Å; T24-I28 WeakPolarHBondContact O-CD1 3.38Å; T24-I28 VanDerWaalsContact O-CG1 3.23Å; T24-I28 WeakPolarHBondContact O-CG1 3.39Å; T24-I28 PolarHBondContact O-N 3Å; Y25-I28 HydrophobicContact CD1-CD1 4.36Å; Y25-I28 PolarHBondContact O-N 2.88Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 3.39Å; I28-D30 PolarHBondContact O-N 3.44Å; I28-V31 CarbonylContact O-C 3.58Å; I28-V31 PolarHBondContact O-N 2.75Å; I28-V31 VanDerWaalsContact O-N 3.1Å; I28-I43 HydrophobicContact CD1-CD1 3.18Å; I28-I43 HydrophobicContact CD1-CG1 4.19Å; I28-I43 HydrophobicContact CG1-CD1 4.27Å
29N55Low54.2Low118 Ų118107 Ų10763%0.63153%0.532SS*.Hα-helixtrans-62.2-26.8177.4-80.5-30.6000112.7Y25 S26Y25-N29 PolarHBondContact O-N 3.14Å; Y25-N29 VanDerWaalsContact O-N 3.16Å; S26-N29 PolarHBondContact O-N 3.16Å
30D55.8Low53.8Low140 Ų140111.3 Ų111.375%0.74954%0.544SS*.Hα-helixtrans-81.6-28.5175.2-71.5-18.6000112.9S26 M27 I28 K32S26-D30 PolarHBondContact O-N 3.17Å; M27-D30 PolarHBondContact O-N 3.03Å; I28-D30 PolarHBondContact O-N 3.44Å; D30-K32 PolarHBondContact O-N 3.35Å
31V53Low53.6Low89 Ų89112 Ų11254%0.53955%0.551SS.*  trans-96.455.9-177.7-172.10000111.1M27 I28 N33M27-V31 WeakPolarHBondContact O-CG2 3.08Å; M27-V31 PolarHBondContact O-N 2.88Å; M27-V31 VanDerWaalsContact O-N 3.15Å; I28-V31 CarbonylContact O-C 3.58Å; I28-V31 PolarHBondContact O-N 2.75Å; I28-V31 VanDerWaalsContact O-N 3.1Å; V31-N33 PolarHBondContact O-N 2.86Å
32K49Very low53.2Low179 Ų179116.5 Ų116.578%0.77857%0.571SS**  trans-71.824.1-171.1-135.5176.2-171175.90116.5D30D30-K32 PolarHBondContact O-N 3.35Å
33N52.1Low52.5Low133 Ų133110.4 Ų110.471%0.71155%0.545SS*.SBendtrans-129.6104-174.8-77.7-29.9000113.3V31V31-N33 PolarHBondContact O-N 2.86Å
34N49.6Very low52.1Low147 Ų147108.2 Ų108.279%0.78654%0.537SS*.SBendtrans82.924.3140.6-65.1-14.5000122.1
35N55.4Low52Low81 Ų81109.2 Ų109.243%0.43354%0.543SS..  trans-158.847.4164.1-108.8-3.5000116.2E37 Q38 Y39N35-E37 PolarHBondContact O-N 2.84Å; N35-Q38 HydrophobicContact CB-CB 4.49Å; N35-Q38 PolarHBondContact ND2-OE1 3.39Å; N35-Q38 PolarHBondContact O-N 3.13Å; N35-Q38 VanDerWaalsContact O-N 3.15Å; N35-Y39 HydrophobicContact CB-CD2 4.04Å; N35-Y39 HydrophobicContact CB-CE2 4.18Å; N35-Y39 WeakPolarHBondContact O-CD2 3.33Å; N35-Y39 PolarHBondContact O-N 3.24Å; N35-Y39 VanDerWaalsContact O-N 3.17Å
36D56.5Low51.7Low120 Ų120107.5 Ų107.564%0.64254%0.541SS*.Hα-helixtrans-48.3-36.5-174.4-79.1-1.4000115.3K40D36-K40 WeakPolarHBondContact O-CB 3.44Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.45Å; D36-K40 PolarHBondContact O-N 2.92Å
37E55.8Low51.3Low165 Ų165105.9 Ų105.977%0.77153%0.534SS*.Hα-helixtrans-71.4-45.7-179.8-107.9-171170.600113.6N35 Y39 K40 Q41N35-E37 PolarHBondContact O-N 2.84Å; E37-Y39 VanDerWaalsContact C-N 3.28Å; E37-Y39 PolarHBondContact O-N 2.9Å; E37-K40 PolarHBondContact O-N 3.45Å; E37-Q41 PolarHBondContact O-N 2.82Å
38Q51.3Low51.2Low123 Ų123103.1 Ų103.158%0.57552%0.521SS*.Hα-helixtrans-66.1-35.7178.5-73.4-172.5-14.400111.1N35 F42N35-Q38 HydrophobicContact CB-CB 4.49Å; N35-Q38 PolarHBondContact ND2-OE1 3.39Å; N35-Q38 PolarHBondContact O-N 3.13Å; N35-Q38 VanDerWaalsContact O-N 3.15Å; Q38-F42 WeakPolarHBondContact O-CB 3.34Å; Q38-F42 PolarHBondContact O-N 2.84Å
39Y50.6Low51.2Low124 Ų124107 Ų10749%0.48654%0.538SS..Hα-helixtrans-71-40.1176.2-82.7-79.1000112.2N35 E37 F42 I43N35-Y39 HydrophobicContact CB-CD2 4.04Å; N35-Y39 HydrophobicContact CB-CE2 4.18Å; N35-Y39 WeakPolarHBondContact O-CD2 3.33Å; N35-Y39 PolarHBondContact O-N 3.24Å; N35-Y39 VanDerWaalsContact O-N 3.17Å; E37-Y39 VanDerWaalsContact C-N 3.28Å; E37-Y39 PolarHBondContact O-N 2.9Å; Y39-F42 PolarHBondContact O-N 3.32Å; Y39-I43 VanDerWaalsContact O-CD1 3.25Å; Y39-I43 WeakPolarHBondContact O-CD1 3.34Å; Y39-I43 VanDerWaalsContact O-CG1 3.22Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.39Å
40K50.1Low50.9Low140 Ų140104.4 Ų104.461%0.60952%0.521SS*.Hα-helixtrans-59.4-44.5171.1-79177.3-179.6-173.70112.1D36 E37 F42 I43 N44D36-K40 WeakPolarHBondContact O-CB 3.44Å; D36-K40 VanDerWaalsContact O-CG 3.24Å; D36-K40 WeakPolarHBondContact O-CG 3.45Å; D36-K40 PolarHBondContact O-N 2.92Å; E37-K40 PolarHBondContact O-N 3.45Å; K40-F42 VanDerWaalsContact C-N 3.34Å; K40-F42 PolarHBondContact O-N 3.3Å; K40-I43 PolarHBondContact O-N 2.03Å; K40-N44 PolarHBondContact O-N 3.27Å
41Q52.7Low50.6Low138 Ų13898.6 Ų98.665%0.64549%0.49SS*.Hα-helixtrans-61.8-41.3174.1-84.3-175.2-20.700112.3E37 N44 T45E37-Q41 PolarHBondContact O-N 2.82Å; Q41-N44 PolarHBondContact O-N 3.35Å; Q41-T45 WeakPolarHBondContact O-CB 3.31Å; Q41-T45 PolarHBondContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 2.95Å
42F46.5Very low50.4Low125 Ų12596.7 Ų96.755%0.54848%0.479SS..Hα-helixtrans-63.8-39.8177.2-175.1-99000112.1Q38 Y39 K40 T45 T46Q38-F42 WeakPolarHBondContact O-CB 3.34Å; Q38-F42 PolarHBondContact O-N 2.84Å; Y39-F42 PolarHBondContact O-N 3.32Å; K40-F42 VanDerWaalsContact C-N 3.34Å; K40-F42 PolarHBondContact O-N 3.3Å; F42-T45 VanDerWaalsContact CA-OG1 3.31Å; F42-T45 WeakPolarHBondContact CA-OG1 3.35Å; F42-T45 PolarHBondContact O-OG1 3.41Å; F42-T45 VanDerWaalsContact O-OG1 3.06Å; F42-T46 HydrophobicContact CD1-CG2 4.13Å; F42-T46 HydrophobicContact CD2-CG2 4.17Å; F42-T46 HydrophobicContact CE1-CG2 3.73Å; F42-T46 HydrophobicContact CE2-CG2 3.77Å; F42-T46 HydrophobicContact CG-CG2 4.35Å; F42-T46 HydrophobicContact CZ-CG2 3.54Å; F42-T46 WeakPolarHBondContact O-CB 3.47Å; F42-T46 WeakPolarHBondContact O-CG2 3.22Å; F42-T46 PolarHBondContact O-N 2.82Å; F42-T46 PolarHBondContact O-OG1 3Å
43I47.5Very low50.5Low26 Ų2694.9 Ų94.913%0.13347%0.467CS..Hα-helixtrans-67.6-43.6176.2-64.9153.6000111T24 I28 Y39 K40 T45 G47T24-I43 HydrophobicContact CG2-CG1 4.15Å; I28-I43 HydrophobicContact CD1-CD1 3.18Å; I28-I43 HydrophobicContact CD1-CG1 4.19Å; I28-I43 HydrophobicContact CG1-CD1 4.27Å; Y39-I43 VanDerWaalsContact O-CD1 3.25Å; Y39-I43 WeakPolarHBondContact O-CD1 3.34Å; Y39-I43 VanDerWaalsContact O-CG1 3.22Å; Y39-I43 WeakPolarHBondContact O-CG1 3.46Å; Y39-I43 PolarHBondContact O-N 3.39Å; K40-I43 PolarHBondContact O-N 2.03Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.15Å; I43-G47 WeakPolarHBondContact O-CA 3.25Å; I43-G47 PolarHBondContact O-N 3.23Å
44N49.2Very low50.6Low50 Ų5089.5 Ų89.527%0.26744%0.438SS..Hα-helixtrans-63.2-43.9177.8-77.72.3000110.6K40 Q41 I48K40-N44 PolarHBondContact O-N 3.27Å; Q41-N44 PolarHBondContact O-N 3.35Å; N44-I48 VanDerWaalsContact O-CB 3.22Å; N44-I48 WeakPolarHBondContact O-CB 3.29Å; N44-I48 WeakPolarHBondContact O-CD1 3.43Å; N44-I48 WeakPolarHBondContact O-CG1 3.2Å; N44-I48 PolarHBondContact O-N 3.29Å
45T49.7Very low50.7Low76 Ų7683.7 Ų83.747%0.46641%0.406SS..Hα-helixtrans-68.3-48.9178.243.90000112.8Q41 F42 I43 I48 E49Q41-T45 WeakPolarHBondContact O-CB 3.31Å; Q41-T45 PolarHBondContact O-N 3.17Å; Q41-T45 PolarHBondContact O-OG1 2.95Å; F42-T45 VanDerWaalsContact CA-OG1 3.31Å; F42-T45 WeakPolarHBondContact CA-OG1 3.35Å; F42-T45 PolarHBondContact O-OG1 3.41Å; F42-T45 VanDerWaalsContact O-OG1 3.06Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.15Å; T45-I48 PolarHBondContact O-N 2.88Å; T45-E49 WeakPolarHBondContact O-CB 3.32Å; T45-E49 VanDerWaalsContact O-CG 3.3Å; T45-E49 WeakPolarHBondContact O-CG 3.1Å; T45-E49 PolarHBondContact O-N 3.4Å
46T48.9Very low50.5Low47 Ų4783.5 Ų83.529%0.28840%0.404SS..Hα-helixtrans-70.5-35.1179.753.30000113.6F42 F50F42-T46 HydrophobicContact CD1-CG2 4.13Å; F42-T46 HydrophobicContact CD2-CG2 4.17Å; F42-T46 HydrophobicContact CE1-CG2 3.73Å; F42-T46 HydrophobicContact CE2-CG2 3.77Å; F42-T46 HydrophobicContact CG-CG2 4.35Å; F42-T46 HydrophobicContact CZ-CG2 3.54Å; F42-T46 WeakPolarHBondContact O-CB 3.47Å; F42-T46 WeakPolarHBondContact O-CG2 3.22Å; F42-T46 PolarHBondContact O-N 2.82Å; F42-T46 PolarHBondContact O-OG1 3Å; T46-F50 VanDerWaalsContact O-CB 3.26Å; T46-F50 WeakPolarHBondContact O-CB 3.38Å; T46-F50 PolarHBondContact O-N 2.83Å
47G49.1Very low50.4Low28 Ų2881.3 Ų81.329%0.28939%0.39SS..Hα-helixtrans-66.5-43.7174.500000111.8I43 F50 I51I43-G47 WeakPolarHBondContact O-CA 3.25Å; I43-G47 PolarHBondContact O-N 3.23Å; G47-F50 PolarHBondContact O-N 2.82Å; G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.46Å; G47-I51 PolarHBondContact O-N 2.94Å
48I49Very low50.1Low65 Ų6574 Ų7433%0.33336%0.356SS..Hα-helixtrans-65-44.9174.2-69.1166000110.4N44 T45 F50 I51 T52 W270N44-I48 VanDerWaalsContact O-CB 3.22Å; N44-I48 WeakPolarHBondContact O-CB 3.29Å; N44-I48 WeakPolarHBondContact O-CD1 3.43Å; N44-I48 WeakPolarHBondContact O-CG1 3.2Å; N44-I48 PolarHBondContact O-N 3.29Å; T45-I48 PolarHBondContact O-N 2.88Å; I48-F50 VanDerWaalsContact C-N 3.31Å; I48-F50 PolarHBondContact O-N 3.06Å; I48-I51 PolarHBondContact O-N 3.16Å; I48-T52 WeakPolarHBondContact O-CA 3.39Å; I48-T52 WeakPolarHBondContact O-CB 3.3Å; I48-T52 PolarHBondContact O-N 3.31Å; I48-T52 PolarHBondContact O-OG1 2.87Å; I48-W270 HydrophobicContact CD1-CH2 4.25Å; I48-W270 HydrophobicContact CD1-CZ2 3.51Å; I48-W270 HydrophobicContact CG1-CZ2 4.17Å
49E48.8Very low50Low134 Ų13468.7 Ų68.763%0.62633%0.331SS*.Hα-helixtrans-59.9-41.7176.1-78.1178.9178.200111.6T45 W53T45-E49 WeakPolarHBondContact O-CB 3.32Å; T45-E49 VanDerWaalsContact O-CG 3.3Å; T45-E49 WeakPolarHBondContact O-CG 3.1Å; T45-E49 PolarHBondContact O-N 3.4Å; E49-W53 WeakPolarHBondContact O-CB 3.37Å; E49-W53 PolarHBondContact O-N 3.41Å
50F49.3Very low50.1Low62 Ų6266.9 Ų66.927%0.27233%0.33SS..Hα-helixtrans-69.6-45178.6-173.4-100.7000112.8I17 Y20 T46 G47 I48 T52 W53 Q54I17-F50 HydrophobicContact CG1-CD1 4.36Å; I17-F50 HydrophobicContact CG1-CE1 4.11Å; Y20-F50 HydrophobicContact CD2-CE1 4.08Å; Y20-F50 AromaticContact CD2-CZ 3.93Å; Y20-F50 HydrophobicContact CD2-CZ 3.93Å; Y20-F50 AromaticContact CE2-CZ 3.9Å; Y20-F50 HydrophobicContact CE2-CZ 3.9Å; T46-F50 VanDerWaalsContact O-CB 3.26Å; T46-F50 WeakPolarHBondContact O-CB 3.38Å; T46-F50 PolarHBondContact O-N 2.83Å; G47-F50 PolarHBondContact O-N 2.82Å; I48-F50 VanDerWaalsContact C-N 3.31Å; I48-F50 PolarHBondContact O-N 3.06Å; F50-T52 VanDerWaalsContact C-N 3.34Å; F50-W53 PolarHBondContact O-N 3Å; F50-Q54 HydrophobicContact CD1-CG 4.38Å; F50-Q54 VanDerWaalsContact CE1-CD 3.46Å; F50-Q54 HydrophobicContact CE1-CG 4.06Å; F50-Q54 VanDerWaalsContact CE1-NE2 3.32Å; F50-Q54 HydrophobicContact CZ-CG 4.17Å; F50-Q54 WeakPolarHBondContact O-CB 3.5Å; F50-Q54 WeakPolarHBondContact O-CG 3.22Å; F50-Q54 PolarHBondContact O-N 3.24Å
51I49.1Very low50.1Low19 Ų1964.2 Ų64.210%0.09732%0.32CS..Hα-helixtrans-62.7-45175.3-69.3165.5000109.9I17 G47 I48 W53 Q54 I55 L266 L315I17-I51 HydrophobicContact CD1-CG1 4.2Å; I17-I51 HydrophobicContact CG2-CD1 4.36Å; I17-I51 HydrophobicContact CG2-CG1 4.19Å; G47-I51 WeakPolarHBondContact O-CB 3.43Å; G47-I51 WeakPolarHBondContact O-CD1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.46Å; G47-I51 PolarHBondContact O-N 2.94Å; I48-I51 PolarHBondContact O-N 3.16Å; I51-W53 VanDerWaalsContact C-N 3.34Å; I51-W53 PolarHBondContact O-N 3.11Å; I51-Q54 PolarHBondContact O-N 3.09Å; I51-I55 HydrophobicContact CG2-CD1 3.64Å; I51-I55 HydrophobicContact CG2-CG1 4.36Å; I51-I55 WeakPolarHBondContact O-CB 3.43Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.21Å; I51-L266 HydrophobicContact CD1-CD1 3.61Å; I51-L315 HydrophobicContact CG2-CD1 4.43Å
52T49.1Very low49.9Very low48 Ų4859.4 Ų59.429%0.29430%0.298SS..Hα-helixtrans-62.8-43.1177.1-56.70000110.3I48 F50 I55 I56I48-T52 WeakPolarHBondContact O-CA 3.39Å; I48-T52 WeakPolarHBondContact O-CB 3.3Å; I48-T52 PolarHBondContact O-N 3.31Å; I48-T52 PolarHBondContact O-OG1 2.87Å; F50-T52 VanDerWaalsContact C-N 3.34Å; T52-I55 PolarHBondContact O-N 2.8Å; T52-I56 HydrophobicContact CG2-CD1 3.79Å; T52-I56 HydrophobicContact CG2-CG1 4.36Å; T52-I56 WeakPolarHBondContact O-CB 3.41Å; T52-I56 WeakPolarHBondContact O-CG1 3.15Å; T52-I56 PolarHBondContact O-N 2.89Å
53W51Low49.8Very low142 Ų14257.2 Ų57.254%0.53829%0.292SS..Hα-helixtrans-64.3-43.2177-17678.5000112.1E49 F50 I51 I56 E57E49-W53 WeakPolarHBondContact O-CB 3.37Å; E49-W53 PolarHBondContact O-N 3.41Å; F50-W53 PolarHBondContact O-N 3Å; I51-W53 VanDerWaalsContact C-N 3.34Å; I51-W53 PolarHBondContact O-N 3.11Å; W53-I56 PolarHBondContact O-N 3.14Å; W53-E57 WeakPolarHBondContact CH2-OE2 3.23Å; W53-E57 VanDerWaalsContact CZ3-OE2 3.31Å; W53-E57 WeakPolarHBondContact CZ3-OE2 3.32Å; W53-E57 VanDerWaalsContact O-CB 3.32Å; W53-E57 WeakPolarHBondContact O-CB 3.48Å; W53-E57 PolarHBondContact O-N 2.77Å
54Q52.5Low49.6Very low20 Ų2063 Ų639%0.09332%0.316CS..Hα-helixtrans-68-36175.9-73.4-159.9-22.600112.8I17 F50 I51 Y58I17-Q54 VanDerWaalsContact CG1-OE1 3.31Å; F50-Q54 HydrophobicContact CD1-CG 4.38Å; F50-Q54 VanDerWaalsContact CE1-CD 3.46Å; F50-Q54 HydrophobicContact CE1-CG 4.06Å; F50-Q54 VanDerWaalsContact CE1-NE2 3.32Å; F50-Q54 HydrophobicContact CZ-CG 4.17Å; F50-Q54 WeakPolarHBondContact O-CB 3.5Å; F50-Q54 WeakPolarHBondContact O-CG 3.22Å; F50-Q54 PolarHBondContact O-N 3.24Å; I51-Q54 PolarHBondContact O-N 3.09Å; Q54-Y58 VanDerWaalsContact O-CB 3.28Å; Q54-Y58 WeakPolarHBondContact O-CB 3.49Å; Q54-Y58 PolarHBondContact O-N 2.79Å
55I51.9Low49.3Very low24 Ų2464.2 Ų64.212%0.12332%0.322CS..Hα-helixtrans-65.8-45.1172.2-70168.5000109.5I51 T52 Y58 L59 I313 L315 I333I51-I55 HydrophobicContact CG2-CD1 3.64Å; I51-I55 HydrophobicContact CG2-CG1 4.36Å; I51-I55 WeakPolarHBondContact O-CB 3.43Å; I51-I55 WeakPolarHBondContact O-CG1 3.45Å; I51-I55 PolarHBondContact O-N 3.21Å; T52-I55 PolarHBondContact O-N 2.8Å; I55-Y58 PolarHBondContact O-N 3.06Å; I55-L59 HydrophobicContact CG2-CD1 3.6Å; I55-L59 HydrophobicContact CG2-CG 4.08Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.35Å; I55-L59 WeakPolarHBondContact O-CG 3.41Å; I55-L59 PolarHBondContact O-N 3.49Å; I55-I313 HydrophobicContact CD1-CD1 4.48Å; I55-I313 HydrophobicContact CD1-CG2 4.43Å; I55-I313 HydrophobicContact CG1-CD1 4.49Å; I55-I313 HydrophobicContact CG2-CD1 4.14Å; I55-L315 HydrophobicContact CD1-CD1 4.05Å; I55-I333 HydrophobicContact CG2-CD1 3.79Å
56I52.5Low49Very low77 Ų7764.2 Ų64.240%0.39532%0.319SS..Hα-helixtrans-60.6-46175.4-71.8167.7000110.3T52 W53 Y58 L59 D60T52-I56 HydrophobicContact CG2-CD1 3.79Å; T52-I56 HydrophobicContact CG2-CG1 4.36Å; T52-I56 WeakPolarHBondContact O-CB 3.41Å; T52-I56 WeakPolarHBondContact O-CG1 3.15Å; T52-I56 PolarHBondContact O-N 2.89Å; W53-I56 PolarHBondContact O-N 3.14Å; I56-Y58 PolarHBondContact O-N 3.17Å; I56-L59 CarbonylContact O-C 3.46Å; I56-L59 PolarHBondContact O-N 3.24Å; I56-L59 VanDerWaalsContact O-N 3.16Å; I56-D60 VanDerWaalsContact O-CB 3.24Å; I56-D60 WeakPolarHBondContact O-CB 3.45Å; I56-D60 PolarHBondContact O-N 3.26Å
57E53.1Low48.5Very low74 Ų7468.9 Ų68.935%0.34634%0.342SS..Hα-helixtrans-61.6-43.7178.2-169-179.7-154.800111.2W53 D60 E61W53-E57 WeakPolarHBondContact CH2-OE2 3.23Å; W53-E57 VanDerWaalsContact CZ3-OE2 3.31Å; W53-E57 WeakPolarHBondContact CZ3-OE2 3.32Å; W53-E57 VanDerWaalsContact O-CB 3.32Å; W53-E57 WeakPolarHBondContact O-CB 3.48Å; W53-E57 PolarHBondContact O-N 2.77Å; E57-D60 PolarHBondContact O-N 2.82Å; E57-E61 WeakPolarHBondContact O-CB 3.47Å; E57-E61 WeakPolarHBondContact O-CG 3.4Å; E57-E61 PolarHBondContact O-N 2.79Å
58Y50.3Low48.2Very low12 Ų1270.4 Ų70.45%0.04734%0.344CS..Hα-helixtrans-63-41.9172.6174.3-100.9000112.4I6 L10 Q54 I55 I56 M62 I311I6-Y58 WeakPolarHBondContact CG2-OH 3.49Å; L10-Y58 HydrophobicContact CD1-CE2 4.28Å; L10-Y58 HydrophobicContact CD2-CE2 4.48Å; L10-Y58 HydrophobicContact CG-CE2 4.13Å; Q54-Y58 VanDerWaalsContact O-CB 3.28Å; Q54-Y58 WeakPolarHBondContact O-CB 3.49Å; Q54-Y58 PolarHBondContact O-N 2.79Å; I55-Y58 PolarHBondContact O-N 3.06Å; I56-Y58 PolarHBondContact O-N 3.17Å; Y58-M62 HydrophobicContact CE1-CE 4.48Å; Y58-M62 HydrophobicContact CE1-CG 4.29Å; Y58-M62 HydrophobicContact CE2-CG 4.34Å; Y58-M62 WeakPolarHBondContact O-CB 3.39Å; Y58-M62 WeakPolarHBondContact O-CG 2.99Å; Y58-M62 PolarHBondContact O-N 2.87Å; Y58-I311 HydrophobicContact CE1-CD1 4.48Å
59L49.5Very low48.2Very low12 Ų1275.9 Ų75.96%0.06337%0.365CS..Hα-helixtrans-68.4-35177.6-69.8170.1000111.7I55 I56 M62 N63 I333 K335 Y374I55-L59 HydrophobicContact CG2-CD1 3.6Å; I55-L59 HydrophobicContact CG2-CG 4.08Å; I55-L59 VanDerWaalsContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CB 3.35Å; I55-L59 WeakPolarHBondContact O-CG 3.41Å; I55-L59 PolarHBondContact O-N 3.49Å; I56-L59 CarbonylContact O-C 3.46Å; I56-L59 PolarHBondContact O-N 3.24Å; I56-L59 VanDerWaalsContact O-N 3.16Å; L59-M62 CarbonylContact O-C 3.45Å; L59-M62 PolarHBondContact O-N 3.32Å; L59-N63 WeakPolarHBondContact O-CB 3.16Å; L59-N63 VanDerWaalsContact O-CG 3.27Å; L59-N63 PolarHBondContact O-N 3.29Å; L59-N63 PolarHBondContact O-ND2 3.11Å; L59-I333 HydrophobicContact CD1-CG2 4.33Å; L59-K335 HydrophobicContact CD2-CB 4.2Å; L59-K335 HydrophobicContact CD2-CD 3.36Å; L59-K335 HydrophobicContact CD2-CG 4.41Å; L59-K335 PolarHBondContact O-NZ 3.04Å; L59-Y374 HydrophobicContact CD1-CE2 3.85Å; L59-Y374 HydrophobicContact CD2-CE2 4.33Å
60D51.9Low48Very low86 Ų8677.6 Ų77.646%0.4637%0.366SS..Hα-helixtrans-73.8-42.8177.3-83.2-12.3000111I56 E57 M62 N63 F64I56-D60 VanDerWaalsContact O-CB 3.24Å; I56-D60 WeakPolarHBondContact O-CB 3.45Å; I56-D60 PolarHBondContact O-N 3.26Å; E57-D60 PolarHBondContact O-N 2.82Å; D60-M62 VanDerWaalsContact C-N 3.26Å; D60-M62 PolarHBondContact O-N 2.87Å; D60-N63 CarbonylContact O-C 3.58Å; D60-N63 PolarHBondContact O-N 3.34Å; D60-F64 WeakPolarHBondContact O-CB 3.23Å; D60-F64 PolarHBondContact O-N 2.85Å
61E50.3Low47.5Very low84 Ų8477.9 Ų77.939%0.39337%0.37SS..Hα-helixtrans-58.2-40.6168.9-79.3-174.1160.700111.1K9 E57 N63 F64K9-E61 WeakPolarHBondContact CE-OE2 3.37Å; K9-E61 IonicContact NZ-OE1 3.24Å; K9-E61 PolarHBondContact NZ-OE1 3.47Å; K9-E61 IonicContact NZ-OE2 3.94Å; K9-E61 PolarHBondContact NZ-OE2 3.15Å; E57-E61 WeakPolarHBondContact O-CB 3.47Å; E57-E61 WeakPolarHBondContact O-CG 3.4Å; E57-E61 PolarHBondContact O-N 2.79Å; E61-N63 VanDerWaalsContact C-N 3.34Å; E61-F64 PolarHBondContact O-N 2.89Å
62M48Very low47.1Very low37 Ų3784.1 Ų84.118%0.18240%0.398CS..Hα-helixtrans-71.4-25174.6-71.7-83-97.400112.9I6 Y58 L59 D60 I311I6-M62 HydrophobicContact CD1-CE 4.49Å; Y58-M62 HydrophobicContact CE1-CE 4.48Å; Y58-M62 HydrophobicContact CE1-CG 4.29Å; Y58-M62 HydrophobicContact CE2-CG 4.34Å; Y58-M62 WeakPolarHBondContact O-CB 3.39Å; Y58-M62 WeakPolarHBondContact O-CG 2.99Å; Y58-M62 PolarHBondContact O-N 2.87Å; L59-M62 CarbonylContact O-C 3.45Å; L59-M62 PolarHBondContact O-N 3.32Å; D60-M62 VanDerWaalsContact C-N 3.26Å; D60-M62 PolarHBondContact O-N 2.87Å; M62-I311 HydrophobicContact CE-CD1 3.73Å
63N45.8Very low46.8Very low79 Ų7988.2 Ų88.242%0.42241%0.414SS..Hα-helixtrans-86.2-22.7174.7-81.2-15.4000112.8L59 D60 E61 I65 N66 K335L59-N63 WeakPolarHBondContact O-CB 3.16Å; L59-N63 VanDerWaalsContact O-CG 3.27Å; L59-N63 PolarHBondContact O-N 3.29Å; L59-N63 PolarHBondContact O-ND2 3.11Å; D60-N63 CarbonylContact O-C 3.58Å; D60-N63 PolarHBondContact O-N 3.34Å; E61-N63 VanDerWaalsContact C-N 3.34Å; N63-I65 PolarHBondContact O-N 2.87Å; N63-I65 VanDerWaalsContact O-N 3.07Å; N63-N66 PolarHBondContact O-N 2.89Å; N63-K335 VanDerWaalsContact CG-NZ 3.33Å; N63-K335 WeakPolarHBondContact OD1-CE 3.07Å; N63-K335 PolarHBondContact OD1-NZ 3.34Å
64F42Very low46.2Very low147 Ų14784.4 Ų84.465%0.64540%0.404SS*.THydrogen-bonded Turntrans-65.8-6.3175.1-125.6-88.3000113.1D60 E61 N66D60-F64 WeakPolarHBondContact O-CB 3.23Å; D60-F64 PolarHBondContact O-N 2.85Å; E61-F64 PolarHBondContact O-N 2.89Å; F64-N66 PolarHBondContact O-N 2.94Å
65I43.1Very low45.5Very low76 Ų7686.4 Ų86.439%0.3942%0.417SS..THydrogen-bonded Turntrans-70.9-9.6177.2-62.2176.7000112.8N63N63-I65 PolarHBondContact O-N 2.87Å; N63-I65 VanDerWaalsContact O-N 3.07Å
66N43.8Very low45Very low76 Ų7692.7 Ų92.741%0.40645%0.446SS..SBendtrans-131.95.8-168.6-91.5-3.5000118.6N63 F64 Q372N63-N66 PolarHBondContact O-N 2.89Å; F64-N66 PolarHBondContact O-N 2.94Å; N66-Q372 PolarHBondContact ND2-NE2 2.97Å
67N38.9Very low44.3Very low145 Ų14595.6 Ų95.678%0.77546%0.458SS*.  trans-147.232.7-167.2-98.6-20.8000118.3
68D42.8Very low43.4Very low60 Ų6095.8 Ų95.832%0.32146%0.461SS..  trans-103.7109.5172.2-155.7-17.2000112.5R70 I71D68-R70 PolarHBondContact O-N 2.83Å; D68-R70 VanDerWaalsContact O-N 3.08Å; D68-R70 WeakPolarHBondContact OD1-CB 3.24Å; D68-R70 VanDerWaalsContact OD1-CG 3.26Å; D68-R70 WeakPolarHBondContact OD1-CG 3.14Å; D68-R70 PolarHBondContact OD1-N 3.14Å; D68-I71 HydrophobicContact CB-CD1 4.18Å; D68-I71 HydrophobicContact CB-CG1 4.18Å; D68-I71 WeakPolarHBondContact O-CB 3.48Å; D68-I71 PolarHBondContact O-N 2.91Å
69K48.3Very low42.6Very low180 Ų180101.4 Ų101.478%0.78349%0.488SS*.THydrogen-bonded Turntrans-57.7-15.6169.4-79.9179.5170.11790112.8I71K69-I71 VanDerWaalsContact C-N 3.28Å
70R44Very low41.8Very low169 Ų169108.8 Ų108.864%0.63852%0.519SS*.Hα-helixtrans-72.1-19172.1-64.3170.7177.81730.5113.1D68 E73 I74D68-R70 PolarHBondContact O-N 2.83Å; D68-R70 VanDerWaalsContact O-N 3.08Å; D68-R70 WeakPolarHBondContact OD1-CB 3.24Å; D68-R70 VanDerWaalsContact OD1-CG 3.26Å; D68-R70 WeakPolarHBondContact OD1-CG 3.14Å; D68-R70 PolarHBondContact OD1-N 3.14Å; R70-E73 PolarHBondContact O-N 3.41Å; R70-I74 HydrophobicContact CB-CD1 4.42Å; R70-I74 WeakPolarHBondContact O-CB 3.33Å; R70-I74 WeakPolarHBondContact O-CD1 2.81Å; R70-I74 WeakPolarHBondContact O-CG1 3.4Å; R70-I74 PolarHBondContact O-N 3.45Å
71I39.9Very low40.8Very low69 Ų69112.8 Ų112.835%0.35453%0.529SS..Hα-helixtrans-71.5-33.9176.2-65.2172000110.9D68 K69 V75D68-I71 HydrophobicContact CB-CD1 4.18Å; D68-I71 HydrophobicContact CB-CG1 4.18Å; D68-I71 WeakPolarHBondContact O-CB 3.48Å; D68-I71 PolarHBondContact O-N 2.91Å; K69-I71 VanDerWaalsContact C-N 3.28Å; I71-V75 HydrophobicContact CG2-CG2 4.03Å; I71-V75 VanDerWaalsContact O-CB 3.22Å; I71-V75 WeakPolarHBondContact O-CB 3.41Å; I71-V75 WeakPolarHBondContact O-CG2 3.16Å; I71-V75 PolarHBondContact O-N 3.41Å
72E40.5Very low40Very low149 Ų149112.9 Ų112.970%0.69654%0.535SS*.Hα-helixtrans-64.5-39.2171.6-98.5-177.4159.600112.1H76E72-H76 WeakPolarHBondContact O-CB 3.41Å; E72-H76 PolarHBondContact O-N 3.18Å; E72-H76 VanDerWaalsContact O-N 3.08Å
73E43.8Very low39.2Very low135 Ų135116.2 Ų116.263%0.63155%0.553SS**Hα-helixtrans-71.8-39.4177.3-76.3-179.4158.200112.2R70 H76 E77R70-E73 PolarHBondContact O-N 3.41Å; E73-H76 PolarHBondContact O-N 3.34Å; E73-E77 PolarHBondContact O-N 2.91Å
74I38.4Very low38.5Very low61 Ų61117.6 Ų117.631%0.31356%0.561SS.*Hα-helixtrans-73.1-35178.4-66.8166.6000111.6R70 H76 E77 N78R70-I74 HydrophobicContact CB-CD1 4.42Å; R70-I74 WeakPolarHBondContact O-CB 3.33Å; R70-I74 WeakPolarHBondContact O-CD1 2.81Å; R70-I74 WeakPolarHBondContact O-CG1 3.4Å; R70-I74 PolarHBondContact O-N 3.45Å; I74-H76 VanDerWaalsContact C-N 3.33Å; I74-E77 PolarHBondContact O-N 3.32Å; I74-N78 VanDerWaalsContact CG2-ND2 3.29Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.48Å; I74-N78 VanDerWaalsContact O-CB 3.3Å; I74-N78 WeakPolarHBondContact O-CB 3.35Å; I74-N78 PolarHBondContact O-N 3.38Å; I74-N78 PolarHBondContact O-ND2 3.15Å
75V36.4Very low38Very low63 Ų63117.7 Ų117.738%0.38256%0.563SS.*Hα-helixtrans-66.7-36.3171.6169.90000110.7I71 H79I71-V75 HydrophobicContact CG2-CG2 4.03Å; I71-V75 VanDerWaalsContact O-CB 3.22Å; I71-V75 WeakPolarHBondContact O-CB 3.41Å; I71-V75 WeakPolarHBondContact O-CG2 3.16Å; I71-V75 PolarHBondContact O-N 3.41Å; V75-H79 PolarHBondContact O-CD2 2.99Å; V75-H79 VanDerWaalsContact O-CD2 3.32Å; V75-H79 PolarHBondContact O-N 2.83Å
76H41.2Very low37.4Very low156 Ų156120.4 Ų120.472%0.72257%0.574SS**Hα-helixtrans-69.9-35.7173.1-100.5-64.1000113.7E72 E73 I74E72-H76 WeakPolarHBondContact O-CB 3.41Å; E72-H76 PolarHBondContact O-N 3.18Å; E72-H76 VanDerWaalsContact O-N 3.08Å; E73-H76 PolarHBondContact O-N 3.34Å; I74-H76 VanDerWaalsContact C-N 3.33Å
77E38Very low36.7Very low138 Ų138118.7 Ų118.765%0.64557%0.568SS**Hα-helixtrans-79-34.9178.9-77.6-169.2147.500113.2E73 I74 Y81E73-E77 PolarHBondContact O-N 2.91Å; I74-E77 PolarHBondContact O-N 3.32Å; E77-Y81 WeakPolarHBondContact O-CD2 3.43Å
78N34.5Very low36.3Very low78 Ų78120.7 Ų120.742%0.41756%0.564SS.*Hα-helixtrans-83.4-20.7-178-74.2-27000114.5I74 K80 Y81 T82I74-N78 VanDerWaalsContact CG2-ND2 3.29Å; I74-N78 WeakPolarHBondContact CG2-ND2 3.48Å; I74-N78 VanDerWaalsContact O-CB 3.3Å; I74-N78 WeakPolarHBondContact O-CB 3.35Å; I74-N78 PolarHBondContact O-N 3.38Å; I74-N78 PolarHBondContact O-ND2 3.15Å; N78-K80 PolarHBondContact O-N 3.08Å; N78-Y81 PolarHBondContact O-N 2.89Å; N78-Y81 VanDerWaalsContact O-N 3.16Å; N78-T82 PolarHBondContact O-OG1 3.44Å
79H33.4Very low35.6Very low130 Ų130123.6 Ų123.660%0.60259%0.588SS**THydrogen-bonded Turntrans-61.1-14.2170.7-103.2-57.9000113.9V75V75-H79 PolarHBondContact O-CD2 2.99Å; V75-H79 VanDerWaalsContact O-CD2 3.32Å; V75-H79 PolarHBondContact O-N 2.83Å
80K33.2Very low34.9Very low166 Ų166121.8 Ų121.872%0.72259%0.586SS**THydrogen-bonded Turntrans-88.9-15.2178.5-112.9179179.3176.90114.7N78N78-K80 PolarHBondContact O-N 3.08Å
81Y30.7Very low34.2Very low171 Ų171120.4 Ų120.467%0.67159%0.591SS**THydrogen-bonded Turntrans-118-22.9-168.6-69.7-76000115.1E77 N78E77-Y81 WeakPolarHBondContact O-CD2 3.43Å; N78-Y81 PolarHBondContact O-N 2.89Å; N78-Y81 VanDerWaalsContact O-N 3.16Å
82T34.3Very low33.5Very low85 Ų85119.3 Ų119.352%0.52160%0.597SS.*Hα-helixtrans-85.7-25.6-178.2450000114.6N78N78-T82 PolarHBondContact O-OG1 3.44Å
83L31Very low32.9Very low108 Ų108119.5 Ų119.557%0.56560%0.602SS**Hα-helixtrans-79.1-27.1177-104.4126.3000113.9C87L83-C87 WeakPolarHBondContact O-CB 3.48Å; L83-C87 PolarHBondContact O-N 3.42Å; L83-C87 VanDerWaalsContact O-N 3.09Å; L83-C87 PolarHBondContact O-SG 3.1Å; L83-C87 VanDerWaalsContact O-SG 3.36Å
84D30.5Very low32Very low107 Ų107122.1 Ų122.157%0.57262%0.619SS**Hα-helixtrans-84.7-16.3-173.2-118.814.5000113.3R88D84-R88 WeakPolarHBondContact O-CG 3.49Å
85E31.1Very low31.5Very low149 Ų149123.8 Ų123.870%0.69664%0.636SS**Hα-helixtrans-90.1-34.6173.4-79.9-170.4149.100113.2R88E85-R88 PolarHBondContact O-N 2.87Å
86E29.8Very low31.1Very low134 Ų134128.4 Ų128.463%0.62665%0.651SS**Hα-helixtrans-76.6-32171.2-72.4-162.9143.900112.6R88 C89E86-R88 PolarHBondContact O-N 3.03Å; E86-C89 PolarHBondContact O-N 3.29Å
87C30.5Very low30.4Very low40 Ų40126.8 Ų126.827%0.2766%0.656SS.*Hα-helixtrans-69.6-14.8172.7-78.90000113.9L83 C89 L90 N91L83-C87 WeakPolarHBondContact O-CB 3.48Å; L83-C87 PolarHBondContact O-N 3.42Å; L83-C87 VanDerWaalsContact O-N 3.09Å; L83-C87 PolarHBondContact O-SG 3.1Å; L83-C87 VanDerWaalsContact O-SG 3.36Å; C87-C89 VanDerWaalsContact C-N 3.3Å; C87-C89 PolarHBondContact O-N 3.44Å; C87-L90 PolarHBondContact O-N 2.79Å; C87-L90 VanDerWaalsContact O-N 3.15Å; C87-N91 WeakPolarHBondContact O-CB 3.36Å; C87-N91 PolarHBondContact O-N 3.2Å
88R29.6Very low29.9Very low187 Ų187128.9 Ų128.971%0.70666%0.663SS**Hα-helixtrans-71.1-24.6172.5-83.4174.1-173.8-164.93.8113.1D84 E85 E86D84-R88 WeakPolarHBondContact O-CG 3.49Å; E85-R88 PolarHBondContact O-N 2.87Å; E86-R88 PolarHBondContact O-N 3.03Å
89C28.6Very low29.7Very low121 Ų121131.1 Ų131.182%0.81867%0.674SS**Hα-helixtrans-79.8-17.7169-82.50000113.2E86 C87E86-C89 PolarHBondContact O-N 3.29Å; C87-C89 VanDerWaalsContact C-N 3.3Å; C87-C89 PolarHBondContact O-N 3.44Å
90L33.2Very low29.3Very low141 Ų141127.2 Ų127.274%0.73867%0.669SS**Hα-helixtrans-98.5-19.3179.6-83.4151.1000114.2C87C87-L90 PolarHBondContact O-N 2.79Å; C87-L90 VanDerWaalsContact O-N 3.15Å
91N29.6Very low28.9Very low141 Ų141126.9 Ų126.975%0.75467%0.674SS**SBendtrans-99.29.1-176.5-80.1-31.1000115.4C87C87-N91 WeakPolarHBondContact O-CB 3.36Å; C87-N91 PolarHBondContact O-N 3.2Å
92G25.6Very low28.7Very low45 Ų45122.8 Ų122.846%0.46468%0.676SS.*SBendtrans-115.190.4176.900000112.7
93L26.4Very low28.3Very low154 Ų154123.2 Ų123.281%0.80670%0.697SS**  trans62.2107.3169.8-67.6100.2000117S95L93-S95 PolarHBondContact O-N 2.93Å; L93-S95 PolarHBondContact O-OG 3.4Å
94L26.2Very low28.2Very low190 Ų190121 Ų121100%0.99569%0.69SS**  39.123.5114.5-99.2160.1000120.9
95S27.6Very low28.3Very low95 Ų95125.6 Ų125.666%0.66470%0.699SS**  trans-117.8114177.366.20000110.4L93 C97L93-S95 PolarHBondContact O-N 2.93Å; L93-S95 PolarHBondContact O-OG 3.4Å; S95-C97 PolarHBondContact O-N 3Å
96K27.3Very low28.3Very low161 Ų161120.5 Ų120.570%0.768%0.68SS**  trans-23.9102.9157.9-65.4168.6177.6174.60111.2K98K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.27Å
97C27.4Very low28.3Very low121 Ų121116.1 Ų116.182%0.81867%0.672SS**  trans-63.398.9160.4-86.20000106.5S95 L99S95-C97 PolarHBondContact O-N 3Å; C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 2.88Å
98K28.3Very low28.3Very low182 Ų182120.5 Ų120.579%0.79169%0.692SS**  trans-62.5101.6157.9-77.5-178.9175.3179.60104.6K96 G100K96-K98 VanDerWaalsContact C-N 3.27Å; K96-K98 PolarHBondContact O-N 3.27Å; K98-G100 PolarHBondContact O-N 2.99Å
99L28.5Very low28.6Very low126 Ų126115.2 Ų115.266%0.6668%0.676SS**  trans-63.173.1158-89.9151.7000106.8C97 A120C97-L99 VanDerWaalsContact C-N 3.27Å; C97-L99 PolarHBondContact O-N 2.88Å; L99-A120 HydrophobicContact CD1-CB 4.23Å
100G25.3Very low28.7Very low47 Ų47111.7 Ų111.749%0.48566%0.66SS.*  trans-97.5127.6173.700000107.7K98K98-G100 PolarHBondContact O-N 2.99Å
101L26Very low28.7Very low160 Ų160110 Ų11084%0.83865%0.653SS**SBendtrans74.840.3145-56.6160.2000116.9
102A26.4Very low29.1Very low85 Ų85111.6 Ų111.670%0.70266%0.655SS**  trans-124.994.4165.200000112.2S104A102-S104 PolarHBondContact O-N 2.8Å
103G24.5Very low29.4Very low93 Ų93118.2 Ų118.296%0.95967%0.671SS**SBendtrans72.1-0.8136.300000122
104S28.8Very low29.7Very low61 Ų61116.8 Ų116.843%0.42766%0.663SS.*SBendtrans-138.6176.7170.2760000112A102 S106 G107A102-S104 PolarHBondContact O-N 2.8Å; S104-S106 PolarHBondContact O-N 2.85Å; S104-S106 PolarHBondContact OG-OG 2.77Å; S104-G107 PolarHBondContact O-N 2.83Å
105W32.7Very low30Very low204 Ų204116 Ų11677%0.77366%0.66SS**THydrogen-bonded Turntrans-53.2-16.5-175.2-76.264.5000114.4G107 L108W105-G107 PolarHBondContact O-N 2.82Å; W105-L108 HydrophobicContact CD2-CD1 4.18Å; W105-L108 HydrophobicContact CE3-CD1 3.98Å; W105-L108 WeakPolarHBondContact O-CB 3.34Å; W105-L108 PolarHBondContact O-N 2.74Å
106S32.4Very low30.4Very low42 Ų42114.1 Ų114.129%0.29465%0.645SS.*Hα-helixtrans-57.3-25.2167.348.20000113.9S104 L108 I109S104-S106 PolarHBondContact O-N 2.85Å; S104-S106 PolarHBondContact OG-OG 2.77Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 2.7Å; S106-I109 PolarHBondContact O-N 2.71Å
107G29.7Very low30.9Very low43 Ų43113.3 Ų113.344%0.44365%0.645SS.*Hα-helixtrans-68.5-18170.500000114.8S104 W105S104-G107 PolarHBondContact O-N 2.83Å; W105-G107 PolarHBondContact O-N 2.82Å
108L30.8Very low31.7Very low132 Ų132110.4 Ų110.469%0.69162%0.622SS**Hα-helixtrans-87.9-16176.9-71.4162.3000113.1W105 S106W105-L108 HydrophobicContact CD2-CD1 4.18Å; W105-L108 HydrophobicContact CE3-CD1 3.98Å; W105-L108 WeakPolarHBondContact O-CB 3.34Å; W105-L108 PolarHBondContact O-N 2.74Å; S106-L108 VanDerWaalsContact C-N 3.27Å; S106-L108 PolarHBondContact O-N 2.7Å
109I36Very low32.5Very low75 Ų75107.5 Ų107.539%0.38561%0.611SS.*Hα-helixtrans-90.7-13.2178.2-56.2174.4000110.8S106 D111 L152S106-I109 PolarHBondContact O-N 2.71Å; I109-D111 PolarHBondContact O-N 2.62Å; I109-L152 HydrophobicContact CD1-CD2 4.29Å
110G31Very low33.4Very low47 Ų47103.9 Ų103.949%0.48560%0.599SS.*  trans-74.634.4174.800000114.6H112G110-H112 PolarHBondContact O-N 3.42Å
111D31.6Very low34.7Very low107 Ų107104.2 Ų104.257%0.57259%0.589SS**  trans-62.6113.9173.9-156.82.5000108I109 K113 L114I109-D111 PolarHBondContact O-N 2.62Å; D111-K113 PolarHBondContact O-N 2.76Å; D111-L114 PolarHBondContact O-N 2.84Å
112H37.7Very low35.8Very low173 Ų173101 Ų10180%0.80157%0.572SS**THydrogen-bonded Turntrans-60.39.6-170.4-77.8-67.6000114.9G110G110-H112 PolarHBondContact O-N 3.42Å
113K32.3Very low37.1Very low184 Ų18498 Ų9880%0.855%0.545SS*.THydrogen-bonded Turntrans-109-10.1-178.6-70.9-179177.5174.80114.6D111 N115D111-K113 PolarHBondContact O-N 2.76Å; K113-N115 PolarHBondContact O-N 2.92Å
114L33.7Very low38.5Very low124 Ų12497.9 Ų97.965%0.64952%0.519SS*.  trans-86.491.3174.4-88.4143.4000110.5D111 T116D111-L114 PolarHBondContact O-N 2.84Å; L114-T116 WeakPolarHBondContact CD2-OG1 3.45Å; L114-T116 PolarHBondContact O-N 2.78Å
115N32.1Very low39.7Very low173 Ų17397.9 Ų97.993%0.92551%0.514SS*.  trans-71.323.4174.3-127.30.7000113.1K113K113-N115 PolarHBondContact O-N 2.92Å
116T36.2Very low40.8Very low56 Ų5692 Ų9234%0.34450%0.495SS..SBendtrans-110.3116.6-176.250.80000109.2L114 N118L114-T116 WeakPolarHBondContact CD2-OG1 3.45Å; L114-T116 PolarHBondContact O-N 2.78Å; T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 2.86Å
117M36.9Very low41.9Very low144 Ų14491.4 Ų91.471%0.70949%0.488SS*.  trans-67.788.5-179.8-69.3-159.2-16100110.7Q119M117-Q119 PolarHBondContact O-N 2.82Å
118N45.2Very low43.1Very low60 Ų6093.7 Ų93.732%0.32149%0.491SS..  trans-64.1131.7160.5-680.7000107.8T116 A120 I143 Q151T116-N118 VanDerWaalsContact C-N 3.34Å; T116-N118 PolarHBondContact O-N 2.86Å; N118-A120 PolarHBondContact O-N 2.85Å; N118-I143 HydrophobicContact CB-CG2 3.87Å; N118-Q151 PolarHBondContact ND2-OE1 2.85Å
119Q45.6Very low44Very low121 Ų12191.3 Ų91.357%0.56548%0.476SS*.EExtended strand (participates in β ladder)trans-80.9113.2172.7-72.1-176.4-11.200108M117 L144M117-Q119 PolarHBondContact O-N 2.82Å; Q119-L144 PolarHBondContact O-N 2.84Å
120A46.1Very low44.5Very low50 Ų5090.5 Ų90.541%0.41347%0.471SS..EExtended strand (participates in β ladder)trans-101.2125.4168.100000108.2L99 N118 Y142 I143L99-A120 HydrophobicContact CD1-CB 4.23Å; N118-A120 PolarHBondContact O-N 2.85Å; A120-Y142 WeakPolarHBondContact CA-O 3.18Å; A120-I143 HydrophobicContact CB-CG1 4.43Å
121I53.4Low45.4Very low55 Ų5591.3 Ų91.328%0.28247%0.465SS..EExtended strand (participates in β ladder)trans-111.1116.1172.3-69.4170.8000106.4L123 Y141 Y142I121-L123 HydrophobicContact CG2-CD2 4.17Å; I121-L123 HydrophobicContact CG2-CG 4.16Å; I121-Y141 WeakPolarHBondContact O-CA 3.4Å; I121-Y141 WeakPolarHBondContact O-CB 3.32Å; I121-Y142 HydrophobicContact CB-CD1 4.35Å; I121-Y142 HydrophobicContact CB-CE1 3.79Å; I121-Y142 HydrophobicContact CB-CE2 4.13Å; I121-Y142 HydrophobicContact CD1-CE1 4.42Å; I121-Y142 HydrophobicContact CD1-CE2 3.75Å; I121-Y142 VanDerWaalsContact CD1-CZ 3.49Å; I121-Y142 WeakPolarHBondContact CD1-OH 3.38Å; I121-Y142 HydrophobicContact CG1-CE2 4.3Å; I121-Y142 HydrophobicContact CG2-CE1 3.82Å; I121-Y142 PolarHBondContact N-O 2.76Å; I121-Y142 VanDerWaalsContact N-O 3.14Å; I121-Y142 PolarHBondContact O-N 2.79Å
122L48.2Very low46.4Very low91 Ų9190.3 Ų90.348%0.47646%0.456SS..EExtended strand (participates in β ladder)trans-100.6128.7174.1179.569.4000108.1I139L122-I139 HydrophobicContact CD1-CG2 3.86Å
123L54Low46.9Very low24 Ų2485.2 Ų85.213%0.12643%0.434CS..EExtended strand (participates in β ladder)trans-122.2123.9172.4-57.1172.1000107.3I121 T140 L412I121-L123 HydrophobicContact CG2-CD2 4.17Å; I121-L123 HydrophobicContact CG2-CG 4.16Å; L123-T140 HydrophobicContact CB-CG2 3.67Å; L123-T140 HydrophobicContact CD1-CG2 3.93Å; L123-T140 HydrophobicContact CG-CG2 4.3Å; L123-T140 PolarHBondContact N-O 3.5Å; L123-T140 PolarHBondContact O-N 3.01Å; L123-T140 VanDerWaalsContact O-O 3.12Å; L123-L412 HydrophobicContact CD1-CB 4.19Å; L123-L412 VanDerWaalsContact CD1-O 3.29Å; L123-L412 WeakPolarHBondContact CD1-O 3.11Å; L123-L412 WeakPolarHBondContact CD2-O 3.49Å
124H53.1Low47.7Very low90 Ų9077.3 Ų77.342%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-127.3134.8173.7178.454.9000107.8D137 Y138 I139H124-D137 IonicContact CE1-OD2 3.62Å; H124-Y138 WeakPolarHBondContact CA-O 3.41Å; H124-Y138 PolarHBondContact ND1-O 2.9Å; H124-Y138 VanDerWaalsContact ND1-O 3.09Å; H124-I139 VanDerWaalsContact ND1-CG1 3.34Å; H124-I139 WeakPolarHBondContact ND1-CG1 3.37Å
125N55.1Low49.1Very low60 Ų6073.6 Ų73.632%0.32138%0.379SS..EExtended strand (participates in β ladder)trans-157.5158.9171.8-150.3-12.9000110.2Y138 N411N125-Y138 HydrophobicContact CB-CD1 4.27Å; N125-Y138 HydrophobicContact CB-CE1 3.42Å; N125-Y138 VanDerWaalsContact CB-CE1 3.42Å; N125-Y138 HydrophobicContact CB-CE2 4.29Å; N125-Y138 WeakPolarHBondContact CB-OH 3.26Å; N125-Y138 PolarHBondContact N-O 3.08Å; N125-Y138 WeakPolarHBondContact O-CD1 3.21Å; N125-Y138 PolarHBondContact O-N 2.76Å; N125-N411 PolarHBondContact ND2-O 2.95Å
126E55.4Low50.4Low82 Ų8267.2 Ų67.238%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-88.4135.3174.8-62.2178.5149.700109.3H129E126-H129 IonicContact OE1-CE1 2.78Å; E126-H129 IonicContact OE2-CE1 3.49Å; E126-H129 PolarHBondContact OE2-CE1 2.95Å; E126-H129 IonicContact OE2-NE2 2.72Å; E126-H129 PolarHBondContact OE2-NE2 3.16Å
127I56.8Low52Low28 Ų2864.9 Ų64.914%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-87.8-49.7178.7-62.5-175.9000109.7I136 Y138 I157 M362 Y410I127-I136 WeakPolarHBondContact CA-O 3.46Å; I127-I136 HydrophobicContact CB-CB 4.13Å; I127-I136 HydrophobicContact CB-CG2 4.04Å; I127-I136 WeakPolarHBondContact CB-O 3.39Å; I127-I136 HydrophobicContact CD1-CG2 3.85Å; I127-I136 HydrophobicContact CG1-CG2 4.29Å; I127-I136 HydrophobicContact CG2-CG2 4.43Å; I127-I136 PolarHBondContact N-O 2.86Å; I127-Y138 HydrophobicContact CD1-CD1 3.95Å; I127-Y138 HydrophobicContact CD1-CG 4.5Å; I127-Y138 HydrophobicContact CG1-CD1 3.58Å; I127-Y138 HydrophobicContact CG1-CE1 4.34Å; I127-I157 HydrophobicContact CD1-CG2 4.2Å; I127-M362 HydrophobicContact CD1-CE 3.76Å; I127-M362 HydrophobicContact CG1-CE 4.23Å; I127-Y410 HydrophobicContact CB-CE1 4.22Å; I127-Y410 HydrophobicContact CG2-CD1 4.42Å; I127-Y410 HydrophobicContact CG2-CE1 3.53Å
128N53.7Low53.5Low92 Ų9258.1 Ų58.149%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-160.4145.3-173.6-156.14.2000111.8Y135 I136N128-Y135 WeakPolarHBondContact O-CA 3.47Å; N128-I136 PolarHBondContact N-O 2.83Å; N128-I136 PolarHBondContact O-N 2.89Å
129H50.4Low54.6Low82 Ų8257.7 Ų57.738%0.3829%0.293SS..EExtended strand (participates in β ladder)trans-101.9131.1167.8-58.6-83.1000109.4E126 Y135E126-H129 IonicContact OE1-CE1 2.78Å; E126-H129 IonicContact OE2-CE1 3.49Å; E126-H129 PolarHBondContact OE2-CE1 2.95Å; E126-H129 IonicContact OE2-NE2 2.72Å; E126-H129 PolarHBondContact OE2-NE2 3.16Å; H129-Y135 HydrophobicContact CB-CD1 4.42Å; H129-Y135 AromaticContact ND1-CD1 3.16Å; H129-Y135 WeakPolarHBondContact ND1-CD1 3.32Å; H129-Y135 AromaticContact ND1-CE1 3.41Å; H129-Y135 WeakPolarHBondContact ND1-CE1 3.34Å
130I46.9Very low55.7Low57 Ų5752.3 Ų52.329%0.29227%0.268SS..EExtended strand (participates in β ladder)trans-110.5104.5170.4-54.6171.3000106.4H132 I133 L134I130-H132 PolarHBondContact O-N 2.84Å; I130-H132 VanDerWaalsContact O-N 3.12Å; I130-I133 PolarHBondContact O-N 3.43Å; I130-I133 VanDerWaalsContact O-N 3.13Å; I130-L134 HydrophobicContact CB-CB 4.19Å; I130-L134 PolarHBondContact N-O 2.84Å; I130-L134 PolarHBondContact O-N 3.22Å
131N49.5Very low56.9Low65 Ų6551.7 Ų51.735%0.34826%0.256SS..THydrogen-bonded Turntrans54.429.4174.7-66.1-3.7000115.7I133N131-I133 WeakPolarHBondContact O-CG1 3.42Å; N131-I133 PolarHBondContact O-N 3.16Å
132H52.3Low57.7Low86 Ų8650.7 Ų50.740%0.39825%0.248SC..THydrogen-bonded Turntrans55.711.2-174.5-53.6-71000115I130 N162I130-H132 PolarHBondContact O-N 2.84Å; I130-H132 VanDerWaalsContact O-N 3.12Å; H132-N162 PolarHBondContact O-ND2 3.1Å
133I49Very low58.7Low65 Ų6547.4 Ų47.433%0.33323%0.231SC..THydrogen-bonded Turntrans-109.6-36.1179.9-64.9165.3000109.2I130 N131 N161 N162 E163I130-I133 PolarHBondContact O-N 3.43Å; I130-I133 VanDerWaalsContact O-N 3.13Å; N131-I133 WeakPolarHBondContact O-CG1 3.42Å; N131-I133 PolarHBondContact O-N 3.16Å; I133-N161 WeakPolarHBondContact CG2-OD1 3.5Å; I133-N161 CarbonylContact O-C 3.56Å; I133-N161 WeakPolarHBondContact O-CA 3.31Å; I133-N161 PolarHBondContact O-OD1 3.19Å; I133-N162 WeakPolarHBondContact O-CB 3.41Å; I133-N162 PolarHBondContact O-N 3.44Å; I133-E163 HydrophobicContact CG2-CG 4.19Å
134L47.7Very low59.3Low19 Ų1947 Ų4710%0.09923%0.229CC..EExtended strand (participates in β ladder)trans-122.9140.2178.4-62.3141.3000109.9I2 I130 L159 I160 N161I2-L134 HydrophobicContact CD1-CD1 3.41Å; I2-L134 VanDerWaalsContact CD1-CD1 3.41Å; I2-L134 HydrophobicContact CD1-CD2 4.02Å; I2-L134 HydrophobicContact CD1-CG 4.3Å; I2-L134 HydrophobicContact CG1-CD1 3.56Å; I2-L134 HydrophobicContact CG1-CD2 3.73Å; I2-L134 HydrophobicContact CG1-CG 4.27Å; I130-L134 HydrophobicContact CB-CB 4.19Å; I130-L134 PolarHBondContact N-O 2.84Å; I130-L134 PolarHBondContact O-N 3.22Å; L134-L159 HydrophobicContact CB-CD1 4.28Å; L134-L159 HydrophobicContact CD2-CD1 4.33Å; L134-L159 HydrophobicContact CD2-CG 4.32Å; L134-I160 CarbonylContact C-O 3.57Å; L134-I160 VanDerWaalsContact CA-O 3.27Å; L134-I160 WeakPolarHBondContact CA-O 3.29Å; L134-N161 HydrophobicContact CD2-CB 3.91Å
135Y63.3Low59.8Low46 Ų4644 Ų4418%0.1822%0.216CC..EExtended strand (participates in β ladder)trans-127.4142.6173.7-29.9-66.8000109.5N128 H129 L159 I160 N162N128-Y135 WeakPolarHBondContact O-CA 3.47Å; H129-Y135 HydrophobicContact CB-CD1 4.42Å; H129-Y135 AromaticContact ND1-CD1 3.16Å; H129-Y135 WeakPolarHBondContact ND1-CD1 3.32Å; H129-Y135 AromaticContact ND1-CE1 3.41Å; H129-Y135 WeakPolarHBondContact ND1-CE1 3.34Å; Y135-L159 CarbonylContact O-C 3.57Å; Y135-L159 WeakPolarHBondContact O-CA 3.43Å; Y135-I160 HydrophobicContact CD2-CB 4.14Å; Y135-I160 HydrophobicContact CD2-CG2 4.07Å; Y135-I160 PolarHBondContact N-O 3.38Å; Y135-I160 PolarHBondContact O-N 2.77Å; Y135-N162 HydrophobicContact CE2-CB 4.12Å; Y135-N162 WeakPolarHBondContact CE2-OD1 3.34Å; Y135-N162 PolarHBondContact OH-ND2 2.83Å; Y135-N162 PolarHBondContact OH-OD1 2.86Å
136I60.4Low60.3Low38 Ų3845.7 Ų45.720%0.19523%0.225CC..EExtended strand (participates in β ladder)trans-101.1119166.2-56.8176.9000106I127 N128 I157 N158 L159 L170I127-I136 WeakPolarHBondContact CA-O 3.46Å; I127-I136 HydrophobicContact CB-CB 4.13Å; I127-I136 HydrophobicContact CB-CG2 4.04Å; I127-I136 WeakPolarHBondContact CB-O 3.39Å; I127-I136 HydrophobicContact CD1-CG2 3.85Å; I127-I136 HydrophobicContact CG1-CG2 4.29Å; I127-I136 HydrophobicContact CG2-CG2 4.43Å; I127-I136 PolarHBondContact N-O 2.86Å; N128-I136 PolarHBondContact N-O 2.83Å; N128-I136 PolarHBondContact O-N 2.89Å; I136-I157 HydrophobicContact CG2-CG2 3.66Å; I136-N158 VanDerWaalsContact CA-O 3.3Å; I136-N158 WeakPolarHBondContact CA-O 3.43Å; I136-L159 HydrophobicContact CG1-CD1 3.86Å; I136-L170 HydrophobicContact CG2-CD1 4.45Å
137D68.7Low60.7Low8 Ų847.2 Ų47.24%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-107.1162.4174.477.6-18.9000110.2H124 I157 N158 I160H124-D137 IonicContact CE1-OD2 3.62Å; D137-I157 WeakPolarHBondContact O-CA 3.48Å; D137-I157 WeakPolarHBondContact O-CG2 3.31Å; D137-N158 PolarHBondContact N-O 3.45Å; D137-N158 PolarHBondContact O-N 2.86Å; D137-N158 VanDerWaalsContact O-N 3.14Å; D137-N158 VanDerWaalsContact OD1-CA 3.23Å; D137-N158 WeakPolarHBondContact OD1-CA 3.27Å; D137-N158 WeakPolarHBondContact OD1-CB 3.4Å; D137-N158 PolarHBondContact OD1-N 2.84Å; D137-N158 PolarHBondContact OD1-ND2 2.95Å; D137-N158 PolarHBondContact OD2-ND2 2.83Å; D137-I160 HydrophobicContact CB-CD1 4.14Å; D137-I160 WeakPolarHBondContact OD2-CD1 2.97Å
138Y68.3Low60.9Low2 Ų248 Ų481%0.00825%0.251CS..EExtended strand (participates in β ladder)trans-129.5146.6158.674-90000111.2H124 N125 I127 T140 N156 M362 N411 L412H124-Y138 WeakPolarHBondContact CA-O 3.41Å; H124-Y138 PolarHBondContact ND1-O 2.9Å; H124-Y138 VanDerWaalsContact ND1-O 3.09Å; N125-Y138 HydrophobicContact CB-CD1 4.27Å; N125-Y138 HydrophobicContact CB-CE1 3.42Å; N125-Y138 VanDerWaalsContact CB-CE1 3.42Å; N125-Y138 HydrophobicContact CB-CE2 4.29Å; N125-Y138 WeakPolarHBondContact CB-OH 3.26Å; N125-Y138 PolarHBondContact N-O 3.08Å; N125-Y138 WeakPolarHBondContact O-CD1 3.21Å; N125-Y138 PolarHBondContact O-N 2.76Å; I127-Y138 HydrophobicContact CD1-CD1 3.95Å; I127-Y138 HydrophobicContact CD1-CG 4.5Å; I127-Y138 HydrophobicContact CG1-CD1 3.58Å; I127-Y138 HydrophobicContact CG1-CE1 4.34Å; Y138-T140 HydrophobicContact CD2-CG2 4.2Å; Y138-T140 HydrophobicContact CE2-CG2 4.15Å; Y138-N156 CarbonylContact C-O 3.54Å; Y138-N156 VanDerWaalsContact CA-O 3.24Å; Y138-N156 WeakPolarHBondContact CA-O 3.41Å; Y138-M362 HydrophobicContact CD1-CE 4.39Å; Y138-N411 PolarHBondContact OH-O 2.89Å; Y138-L412 HydrophobicContact CE2-CD2 3.84Å; Y138-L412 WeakPolarHBondContact OH-CD2 3.36Å
139I69.7Low61.4Low51 Ų5144.4 Ų44.426%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-126.9118.8172.3-61.3168.6000106L122 H124 M155 N156L122-I139 HydrophobicContact CD1-CG2 3.86Å; H124-I139 VanDerWaalsContact ND1-CG1 3.34Å; H124-I139 WeakPolarHBondContact ND1-CG1 3.37Å; I139-M155 CarbonylContact O-C 3.54Å; I139-M155 WeakPolarHBondContact O-CA 3.33Å; I139-N156 PolarHBondContact N-O 3.02Å; I139-N156 PolarHBondContact O-N 3.44Å
140T67.9Low62.2Low7 Ų743 Ų434%0.04323%0.231CC..EExtended strand (participates in β ladder)trans-126.2140.5170.8-176.50000110.6L123 Y138 N154L123-T140 HydrophobicContact CB-CG2 3.67Å; L123-T140 HydrophobicContact CD1-CG2 3.93Å; L123-T140 HydrophobicContact CG-CG2 4.3Å; L123-T140 PolarHBondContact N-O 3.5Å; L123-T140 PolarHBondContact O-N 3.01Å; L123-T140 VanDerWaalsContact O-O 3.12Å; Y138-T140 HydrophobicContact CD2-CG2 4.2Å; Y138-T140 HydrophobicContact CE2-CG2 4.15Å; T140-N154 CarbonylContact C-O 3.59Å; T140-N154 WeakPolarHBondContact CA-O 3.39Å; T140-N154 WeakPolarHBondContact CB-O 3.3Å; T140-N154 PolarHBondContact OG1-O 3.44Å
141Y70.2Confident63.6Low37 Ų3743.6 Ų43.615%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-141.8154.6170.766.4-95000111.1I121 I143 L152 S153 N154I121-Y141 WeakPolarHBondContact O-CA 3.4Å; I121-Y141 WeakPolarHBondContact O-CB 3.32Å; Y141-I143 HydrophobicContact CD2-CG1 4.35Å; Y141-L152 HydrophobicContact CE2-CD2 3.69Å; Y141-L152 HydrophobicContact CE2-CG 4.03Å; Y141-S153 CarbonylContact O-C 3.56Å; Y141-S153 VanDerWaalsContact O-CA 3.31Å; Y141-S153 WeakPolarHBondContact O-CA 3.43Å; Y141-N154 HydrophobicContact CD1-CB 3.8Å; Y141-N154 HydrophobicContact CD2-CB 4.34Å; Y141-N154 HydrophobicContact CE1-CB 3.27Å; Y141-N154 HydrophobicContact CE2-CB 3.85Å; Y141-N154 HydrophobicContact CG-CB 4.31Å; Y141-N154 PolarHBondContact N-O 2.93Å; Y141-N154 PolarHBondContact O-N 3.21Å
142Y70.2Confident64.9Low34 Ų3441 Ų4113%0.13322%0.218CC..EExtended strand (participates in β ladder)trans-137.9150.316959.4-87.9000110.9A120 I121 L144 L152 L360A120-Y142 WeakPolarHBondContact CA-O 3.18Å; I121-Y142 HydrophobicContact CB-CD1 4.35Å; I121-Y142 HydrophobicContact CB-CE1 3.79Å; I121-Y142 HydrophobicContact CB-CE2 4.13Å; I121-Y142 HydrophobicContact CD1-CE1 4.42Å; I121-Y142 HydrophobicContact CD1-CE2 3.75Å; I121-Y142 VanDerWaalsContact CD1-CZ 3.49Å; I121-Y142 WeakPolarHBondContact CD1-OH 3.38Å; I121-Y142 HydrophobicContact CG1-CE2 4.3Å; I121-Y142 HydrophobicContact CG2-CE1 3.82Å; I121-Y142 PolarHBondContact N-O 2.76Å; I121-Y142 VanDerWaalsContact N-O 3.14Å; I121-Y142 PolarHBondContact O-N 2.79Å; Y142-L144 HydrophobicContact CD2-CD2 4.22Å; Y142-L144 HydrophobicContact CD2-CG 4.2Å; Y142-L144 HydrophobicContact CE2-CD1 4.45Å; Y142-L144 HydrophobicContact CE2-CG 4.44Å; Y142-L152 CarbonylContact C-O 3.5Å; Y142-L152 VanDerWaalsContact CA-O 3.22Å; Y142-L152 WeakPolarHBondContact CA-O 3.35Å; Y142-L360 HydrophobicContact CE1-CD1 4.19Å
143I69.3Low66.1Low22 Ų2238.2 Ų38.211%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-123.1126.9-179.7-52.7-175.5000107.5N118 A120 Y141 Q151 L152N118-I143 HydrophobicContact CB-CG2 3.87Å; A120-I143 HydrophobicContact CB-CG1 4.43Å; Y141-I143 HydrophobicContact CD2-CG1 4.35Å; I143-Q151 PolarHBondContact O-N 2.8Å; I143-L152 HydrophobicContact CB-CB 4.13Å; I143-L152 HydrophobicContact CD1-CB 4.26Å; I143-L152 HydrophobicContact CD1-CD2 3.86Å; I143-L152 HydrophobicContact CG1-CB 4.24Å; I143-L152 PolarHBondContact N-O 2.84Å; I143-L152 PolarHBondContact O-N 2.77Å
144L66.6Low67.3Low17 Ų1735.8 Ų35.89%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-102.4145.4173.9-55.8178.4000110.4Q119 Y142 G149 L150Q119-L144 PolarHBondContact O-N 2.84Å; Y142-L144 HydrophobicContact CD2-CD2 4.22Å; Y142-L144 HydrophobicContact CD2-CG 4.2Å; Y142-L144 HydrophobicContact CE2-CD1 4.45Å; Y142-L144 HydrophobicContact CE2-CG 4.44Å; L144-G149 CarbonylContact C-O 3.45Å; L144-G149 VanDerWaalsContact CA-O 3.25Å; L144-G149 WeakPolarHBondContact CA-O 3.32Å; L144-L150 HydrophobicContact CD2-CD1 4.25Å
145D64.8Low68.7Low25 Ų2536.1 Ų36.113%0.13420%0.198CC..  trans-71.3174.6169.272.925.5000111.6N147 G148 G149D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.09Å; D145-N147 WeakPolarHBondContact OD1-CA 3.37Å; D145-N147 WeakPolarHBondContact OD1-CB 3.22Å; D145-N147 PolarHBondContact OD1-N 2.8Å; D145-G148 PolarHBondContact O-N 3.44Å; D145-G148 PolarHBondContact OD1-N 2.88Å; D145-G149 PolarHBondContact N-O 2.75Å; D145-G149 PolarHBondContact OD1-N 3.28Å
146N65.2Low69.2Low97 Ų9735 Ų3552%0.51920%0.195SC..THydrogen-bonded Turntrans-61.9-17.5179.8-70.8-33.9000114.3
147N63.4Low69.8Low114 Ų11434.1 Ų34.161%0.6119%0.19SC*.THydrogen-bonded Turntrans-99.51.3178.7-63.9-29.2000112.4D145 G149 M181D145-N147 PolarHBondContact O-N 3.28Å; D145-N147 VanDerWaalsContact O-N 3.09Å; D145-N147 WeakPolarHBondContact OD1-CA 3.37Å; D145-N147 WeakPolarHBondContact OD1-CB 3.22Å; D145-N147 PolarHBondContact OD1-N 2.8Å; N147-G149 VanDerWaalsContact C-N 3.33Å; N147-M181 HydrophobicContact CB-CB 4.43Å; N147-M181 PolarHBondContact ND2-SD 3.31Å
148G61.1Low69.7Low45 Ų4534.4 Ų34.446%0.46419%0.192SC..SBendtrans81.48-17700000114.4D145D145-G148 PolarHBondContact O-N 3.44Å; D145-G148 PolarHBondContact OD1-N 2.88Å
149G63.8Low69.6Low16 Ų1635.4 Ų35.417%0.16520%0.197CC..  trans-71.6142.5171.200000111.1L144 D145 N147 Q151L144-G149 CarbonylContact C-O 3.45Å; L144-G149 VanDerWaalsContact CA-O 3.25Å; L144-G149 WeakPolarHBondContact CA-O 3.32Å; D145-G149 PolarHBondContact N-O 2.75Å; D145-G149 PolarHBondContact OD1-N 3.28Å; N147-G149 VanDerWaalsContact C-N 3.33Å; G149-Q151 PolarHBondContact O-N 2.83Å
150L68.3Low69.3Low52 Ų5235.1 Ų35.127%0.27220%0.196SC..EExtended strand (participates in β ladder)trans-63.8131.2173.4-176.369.3000109.4L144 L152 I175 A177 L180L144-L150 HydrophobicContact CD2-CD1 4.25Å; L150-L152 WeakPolarHBondContact CD1-O 3.45Å; L150-I175 HydrophobicContact CD2-CG2 4.13Å; L150-A177 WeakPolarHBondContact O-CB 3.46Å; L150-L180 HydrophobicContact CB-CD1 4.13Å; L150-L180 WeakPolarHBondContact O-CD1 3.25Å
151Q75.8Confident69.1Low69 Ų6935 Ų3532%0.32220%0.195SC..EExtended strand (participates in β ladder)trans-108.6-42.5172.8-172179.38.200111N118 I143 G149 A177N118-Q151 PolarHBondContact ND2-OE1 2.85Å; I143-Q151 PolarHBondContact O-N 2.8Å; G149-Q151 PolarHBondContact O-N 2.83Å; Q151-A177 PolarHBondContact O-N 3.45Å
152L77.6Confident68.7Low11 Ų1136.8 Ų36.86%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-146.8139.3-178-175.764.8000109.2I109 Y141 Y142 I143 L150 N174 I175 Q176I109-L152 HydrophobicContact CD1-CD2 4.29Å; Y141-L152 HydrophobicContact CE2-CD2 3.69Å; Y141-L152 HydrophobicContact CE2-CG 4.03Å; Y142-L152 CarbonylContact C-O 3.5Å; Y142-L152 VanDerWaalsContact CA-O 3.22Å; Y142-L152 WeakPolarHBondContact CA-O 3.35Å; I143-L152 HydrophobicContact CB-CB 4.13Å; I143-L152 HydrophobicContact CD1-CB 4.26Å; I143-L152 HydrophobicContact CD1-CD2 3.86Å; I143-L152 HydrophobicContact CG1-CB 4.24Å; I143-L152 PolarHBondContact N-O 2.84Å; I143-L152 PolarHBondContact O-N 2.77Å; L150-L152 WeakPolarHBondContact CD1-O 3.45Å; L152-N174 WeakPolarHBondContact CD1-OD1 2.77Å; L152-I175 CarbonylContact C-O 3.48Å; L152-I175 WeakPolarHBondContact CA-O 3.26Å; L152-Q176 HydrophobicContact CD1-CG 3.79Å
153S75.8Confident68.3Low28 Ų2840.7 Ų40.720%0.19623%0.226CC..EExtended strand (participates in β ladder)trans-138.1133166.5179.60000108.6Y141 N174 I175Y141-S153 CarbonylContact O-C 3.56Å; Y141-S153 VanDerWaalsContact O-CA 3.31Å; Y141-S153 WeakPolarHBondContact O-CA 3.43Å; S153-N174 CarbonylContact O-C 3.48Å; S153-N174 WeakPolarHBondContact O-CA 3.27Å; S153-N174 PolarHBondContact O-OD1 3.42Å; S153-I175 PolarHBondContact N-O 2.82Å; S153-I175 PolarHBondContact O-N 3.3Å
154N75.1Confident67.5Low14 Ų1444.3 Ų44.38%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-125.8141.5172.7-168.4-97.6000109.6T140 Y141 N172 I173T140-N154 CarbonylContact C-O 3.59Å; T140-N154 WeakPolarHBondContact CA-O 3.39Å; T140-N154 WeakPolarHBondContact CB-O 3.3Å; T140-N154 PolarHBondContact OG1-O 3.44Å; Y141-N154 HydrophobicContact CD1-CB 3.8Å; Y141-N154 HydrophobicContact CD2-CB 4.34Å; Y141-N154 HydrophobicContact CE1-CB 3.27Å; Y141-N154 HydrophobicContact CE2-CB 3.85Å; Y141-N154 HydrophobicContact CG-CB 4.31Å; Y141-N154 PolarHBondContact N-O 2.93Å; Y141-N154 PolarHBondContact O-N 3.21Å; N154-N172 PolarHBondContact ND2-OD1 3.01Å; N154-I173 CarbonylContact C-O 3.5Å; N154-I173 WeakPolarHBondContact CA-O 3.47Å
155M76.2Confident66.9Low25 Ų2552 Ų5212%0.12328%0.281CS..EExtended strand (participates in β ladder)trans-133.6120.1167.3-179.4-178.2-175.700107.1I139 I157 N172 I173 F345 M362I139-M155 CarbonylContact O-C 3.54Å; I139-M155 WeakPolarHBondContact O-CA 3.33Å; M155-I157 HydrophobicContact CE-CD1 4.07Å; M155-I157 HydrophobicContact CE-CG1 4.21Å; M155-N172 CarbonylContact O-C 3.51Å; M155-N172 VanDerWaalsContact O-CA 3.32Å; M155-N172 WeakPolarHBondContact O-CA 3.22Å; M155-I173 PolarHBondContact N-O 3.03Å; M155-I173 PolarHBondContact O-N 3.43Å; M155-F345 HydrophobicContact SD-CD2 4.31Å; M155-M362 HydrophobicContact CE-SD 3.72Å
156N75.7Confident66.5Low24 Ų2454.2 Ų54.213%0.12830%0.296CS..EExtended strand (participates in β ladder)trans-122.2131.5178.1-172.129.2000108.6Y138 I139 N158 S169 L171Y138-N156 CarbonylContact C-O 3.54Å; Y138-N156 VanDerWaalsContact CA-O 3.24Å; Y138-N156 WeakPolarHBondContact CA-O 3.41Å; I139-N156 PolarHBondContact N-O 3.02Å; I139-N156 PolarHBondContact O-N 3.44Å; N156-N158 VanDerWaalsContact CG-OD1 3.3Å; N156-N158 PolarHBondContact ND2-ND2 3.04Å; N156-N158 PolarHBondContact ND2-OD1 3.04Å; N156-N158 PolarHBondContact OD1-OD1 3Å; N156-S169 PolarHBondContact OD1-OG 2.84Å; N156-L171 CarbonylContact C-O 3.52Å; N156-L171 WeakPolarHBondContact CA-O 3.39Å; N156-L171 PolarHBondContact OD1-O 3.45Å
157I71.7Confident66.4Low19 Ų1953 Ų5310%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-114118.8172.5-58.7177000106I127 I136 D137 M155 L170 L171I127-I157 HydrophobicContact CD1-CG2 4.2Å; I136-I157 HydrophobicContact CG2-CG2 3.66Å; D137-I157 WeakPolarHBondContact O-CA 3.48Å; D137-I157 WeakPolarHBondContact O-CG2 3.31Å; M155-I157 HydrophobicContact CE-CD1 4.07Å; M155-I157 HydrophobicContact CE-CG1 4.21Å; I157-L170 HydrophobicContact CG2-CB 4.42Å; I157-L170 HydrophobicContact CG2-CD1 4.24Å; I157-L170 WeakPolarHBondContact O-CB 3.33Å; I157-L170 PolarHBondContact O-N 2.92Å; I157-L171 HydrophobicContact CB-CB 4.47Å; I157-L171 HydrophobicContact CD1-CD2 4.32Å; I157-L171 PolarHBondContact N-O 2.78Å; I157-L171 PolarHBondContact O-N 3.13Å
158N67.7Low66.5Low13 Ų1349.7 Ų49.77%0.0728%0.277CS..EExtended strand (participates in β ladder)trans-109.9154175.8-38.3-74.6000111.3I136 D137 N156 I160 L168I136-N158 VanDerWaalsContact CA-O 3.3Å; I136-N158 WeakPolarHBondContact CA-O 3.43Å; D137-N158 PolarHBondContact N-O 3.45Å; D137-N158 PolarHBondContact O-N 2.86Å; D137-N158 VanDerWaalsContact O-N 3.14Å; D137-N158 VanDerWaalsContact OD1-CA 3.23Å; D137-N158 WeakPolarHBondContact OD1-CA 3.27Å; D137-N158 WeakPolarHBondContact OD1-CB 3.4Å; D137-N158 PolarHBondContact OD1-N 2.84Å; D137-N158 PolarHBondContact OD1-ND2 2.95Å; D137-N158 PolarHBondContact OD2-ND2 2.83Å; N156-N158 VanDerWaalsContact CG-OD1 3.3Å; N156-N158 PolarHBondContact ND2-ND2 3.04Å; N156-N158 PolarHBondContact ND2-OD1 3.04Å; N156-N158 PolarHBondContact OD1-OD1 3Å; N158-I160 HydrophobicContact CB-CG1 4.25Å; N158-L168 CarbonylContact C-O 3.48Å; N158-L168 WeakPolarHBondContact CA-O 3.5Å
159L65Low66.9Low24 Ų2448.4 Ų48.413%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-103.7113.1161.8-179.470.4000107.2I2 L134 Y135 I136 S167 L168 L170I2-L159 HydrophobicContact CD1-CD2 4.18Å; L134-L159 HydrophobicContact CB-CD1 4.28Å; L134-L159 HydrophobicContact CD2-CD1 4.33Å; L134-L159 HydrophobicContact CD2-CG 4.32Å; Y135-L159 CarbonylContact O-C 3.57Å; Y135-L159 WeakPolarHBondContact O-CA 3.43Å; I136-L159 HydrophobicContact CG1-CD1 3.86Å; L159-S167 CarbonylContact O-C 3.58Å; L159-S167 WeakPolarHBondContact O-CA 3.26Å; L159-L168 HydrophobicContact CB-CB 4.44Å; L159-L168 PolarHBondContact N-O 3.37Å; L159-L168 PolarHBondContact O-N 3.14Å; L159-L170 HydrophobicContact CB-CD1 3.93Å; L159-L170 HydrophobicContact CB-CD2 3.96Å; L159-L170 HydrophobicContact CB-CG 3.84Å
160I63.9Low67.3Low44 Ų4449.9 Ų49.923%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-103129.9-179.8-59.4174.4000107.7L134 Y135 D137 N158L134-I160 CarbonylContact C-O 3.57Å; L134-I160 VanDerWaalsContact CA-O 3.27Å; L134-I160 WeakPolarHBondContact CA-O 3.29Å; Y135-I160 HydrophobicContact CD2-CB 4.14Å; Y135-I160 HydrophobicContact CD2-CG2 4.07Å; Y135-I160 PolarHBondContact N-O 3.38Å; Y135-I160 PolarHBondContact O-N 2.77Å; D137-I160 HydrophobicContact CB-CD1 4.14Å; D137-I160 WeakPolarHBondContact OD2-CD1 2.97Å; N158-I160 HydrophobicContact CB-CG1 4.25Å
161N63.7Low67.5Low6 Ų648.1 Ų48.13%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-94.4128162.2-177.28.1000109.1M1 I133 L134 E163 D164 E165 T166M1-N161 HydrophobicContact CE-CB 3.47Å; M1-N161 VanDerWaalsContact CE-CB 3.47Å; M1-N161 WeakPolarHBondContact CE-ND2 3.4Å; M1-N161 HydrophobicContact CG-CB 4.1Å; M1-N161 HydrophobicContact SD-CB 3.08Å; M1-N161 WeakPolarHBondContact SD-CB 3.35Å; I133-N161 WeakPolarHBondContact CG2-OD1 3.5Å; I133-N161 CarbonylContact O-C 3.56Å; I133-N161 WeakPolarHBondContact O-CA 3.31Å; I133-N161 PolarHBondContact O-OD1 3.19Å; L134-N161 HydrophobicContact CD2-CB 3.91Å; N161-E163 VanDerWaalsContact C-N 3.32Å; N161-E163 PolarHBondContact O-N 3.12Å; N161-E163 PolarHBondContact OD1-N 2.78Å; N161-D164 PolarHBondContact ND2-OD2 2.86Å; N161-E165 WeakPolarHBondContact O-CA 3.31Å; N161-E165 PolarHBondContact O-N 2.86Å; N161-E165 VanDerWaalsContact O-N 3.16Å; N161-T166 PolarHBondContact N-O 2.64Å
162N61.9Low67.6Low73 Ų7346.1 Ų46.139%0.3925%0.247SC..THydrogen-bonded Turntrans-60.9-39.6174.8-121.92.3000113.8H132 I133 Y135 D164H132-N162 PolarHBondContact O-ND2 3.1Å; I133-N162 WeakPolarHBondContact O-CB 3.41Å; I133-N162 PolarHBondContact O-N 3.44Å; Y135-N162 HydrophobicContact CE2-CB 4.12Å; Y135-N162 WeakPolarHBondContact CE2-OD1 3.34Å; Y135-N162 PolarHBondContact OH-ND2 2.83Å; Y135-N162 PolarHBondContact OH-OD1 2.86Å; N162-D164 VanDerWaalsContact C-N 3.32Å; N162-D164 PolarHBondContact O-N 2.8Å
163E60.9Low67.7Low116 Ų11646.8 Ų46.854%0.54225%0.251SS..THydrogen-bonded Turntrans-72.4-30.8-168.9-69.3-175160.200112.4I133 N161I133-E163 HydrophobicContact CG2-CG 4.19Å; N161-E163 VanDerWaalsContact C-N 3.32Å; N161-E163 PolarHBondContact O-N 3.12Å; N161-E163 PolarHBondContact OD1-N 2.78Å
164D53.6Low67.9Low99 Ų9946.6 Ų46.653%0.52925%0.247SC..THydrogen-bonded Turntrans-121.60.9-166.8-72.9-31.6000112.3M1 N161 N162 T166M1-D164 HydrophobicContact CE-CB 3.12Å; M1-D164 VanDerWaalsContact CE-OD2 3.23Å; M1-D164 WeakPolarHBondContact CE-OD2 3.42Å; N161-D164 PolarHBondContact ND2-OD2 2.86Å; N162-D164 VanDerWaalsContact C-N 3.32Å; N162-D164 PolarHBondContact O-N 2.8Å; D164-T166 HydrophobicContact CB-CG2 4.16Å; D164-T166 WeakPolarHBondContact O-CG2 3.43Å; D164-T166 PolarHBondContact O-N 2.79Å
165E54.3Low68.2Low177 Ų17748 Ų4883%0.82726%0.255SS*.  trans51.77.9-173.5-65.6-174.4170.700115.8N161 S167N161-E165 WeakPolarHBondContact O-CA 3.31Å; N161-E165 PolarHBondContact O-N 2.86Å; N161-E165 VanDerWaalsContact O-N 3.16Å; E165-S167 PolarHBondContact O-N 3.31Å
166T55.2Low68.4Low72 Ų7249.6 Ų49.644%0.44226%0.262SS..PPolyproline II helixtrans-81.7126.3179.595.90000110.3M1 N161 D164M1-T166 HydrophobicContact CE-CG2 3.54Å; M1-T166 WeakPolarHBondContact CE-OG1 3.25Å; M1-T166 PolarHBondContact SD-OG1 3.49Å; N161-T166 PolarHBondContact N-O 2.64Å; D164-T166 HydrophobicContact CB-CG2 4.16Å; D164-T166 WeakPolarHBondContact O-CG2 3.43Å; D164-T166 PolarHBondContact O-N 2.79Å
167S64.1Low68.6Low72 Ų7248.8 Ų48.850%0.50326%0.258SS..EExtended strand (participates in β ladder)trans-96.1130.3169.861.30000110.1L159 E165L159-S167 CarbonylContact O-C 3.58Å; L159-S167 WeakPolarHBondContact O-CA 3.26Å; E165-S167 PolarHBondContact O-N 3.31Å
168L64.9Low69Low45 Ų4550.3 Ų50.324%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-99.5122.8165.5176.768.9000108.5N158 L159 L170 L219 D220N158-L168 CarbonylContact C-O 3.48Å; N158-L168 WeakPolarHBondContact CA-O 3.5Å; L159-L168 HydrophobicContact CB-CB 4.44Å; L159-L168 PolarHBondContact N-O 3.37Å; L159-L168 PolarHBondContact O-N 3.14Å; L168-L170 HydrophobicContact CD2-CD2 4.1Å; L168-L170 HydrophobicContact CG-CD2 4.48Å; L168-L170 PolarHBondContact O-N 2.77Å; L168-L170 VanDerWaalsContact O-N 3.07Å; L168-L219 HydrophobicContact CD2-CD2 3.96Å; L168-D220 VanDerWaalsContact CD1-OD2 3.26Å; L168-D220 WeakPolarHBondContact CD1-OD2 3.27Å
169S70.4Confident69.2Low17 Ų1752.6 Ų52.612%0.11928%0.277CS..EExtended strand (participates in β ladder)trans-71.7106.2172-176.90000108.4N156 L219 D220N156-S169 PolarHBondContact OD1-OG 2.84Å; S169-L219 WeakPolarHBondContact O-CA 3.34Å; S169-L219 PolarHBondContact O-N 3.26Å; S169-L219 VanDerWaalsContact O-N 3.17Å; S169-D220 WeakPolarHBondContact CB-OD1 3.32Å; S169-D220 PolarHBondContact N-OD1 2.83Å; S169-D220 PolarHBondContact O-N 3.19Å
170L71.1Confident69.3Low47 Ų4753.1 Ų53.125%0.24628%0.279CS..EExtended strand (participates in β ladder)trans-70.2-46.2177.7-67.6-179.5000109.9I136 I157 L159 L168 Y218 L219I136-L170 HydrophobicContact CG2-CD1 4.45Å; I157-L170 HydrophobicContact CG2-CB 4.42Å; I157-L170 HydrophobicContact CG2-CD1 4.24Å; I157-L170 WeakPolarHBondContact O-CB 3.33Å; I157-L170 PolarHBondContact O-N 2.92Å; L159-L170 HydrophobicContact CB-CD1 3.93Å; L159-L170 HydrophobicContact CB-CD2 3.96Å; L159-L170 HydrophobicContact CB-CG 3.84Å; L168-L170 HydrophobicContact CD2-CD2 4.1Å; L168-L170 HydrophobicContact CG-CD2 4.48Å; L168-L170 PolarHBondContact O-N 2.77Å; L168-L170 VanDerWaalsContact O-N 3.07Å; L170-Y218 WeakPolarHBondContact O-CA 3.4Å; L170-L219 HydrophobicContact CD2-CD2 3.97Å; L170-L219 PolarHBondContact O-N 2.81Å; L170-L219 VanDerWaalsContact O-N 3.15Å
171L73Confident69.4Low16 Ų1654.1 Ų54.18%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-152.9125.1-177.2-179.866.3000109.8N156 I157 I173 L216 N217 I284 T303N156-L171 CarbonylContact C-O 3.52Å; N156-L171 WeakPolarHBondContact CA-O 3.39Å; N156-L171 PolarHBondContact OD1-O 3.45Å; I157-L171 HydrophobicContact CB-CB 4.47Å; I157-L171 HydrophobicContact CD1-CD2 4.32Å; I157-L171 PolarHBondContact N-O 2.78Å; I157-L171 PolarHBondContact O-N 3.13Å; L171-I173 HydrophobicContact CD1-CG1 4.25Å; L171-I173 HydrophobicContact CD2-CD1 4.14Å; L171-I173 HydrophobicContact CD2-CG1 4.41Å; L171-I173 HydrophobicContact CG-CD1 4.43Å; L171-I173 HydrophobicContact CG-CG1 4.15Å; L171-L216 HydrophobicContact CD1-CD1 3.97Å; L171-L216 HydrophobicContact CD1-CD2 4.23Å; L171-L216 HydrophobicContact CD1-CG 4.09Å; L171-N217 CarbonylContact C-O 3.6Å; L171-N217 WeakPolarHBondContact CA-O 3.39Å; L171-I284 HydrophobicContact CD1-CD1 4.5Å; L171-T303 HydrophobicContact CD2-CG2 4.33Å
172N78.8Confident69.5Low27 Ų2757 Ų5714%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-122.2123.3169.4-168.5-46.6000108.8N154 M155 L216 N217N154-N172 PolarHBondContact ND2-OD1 3.01Å; M155-N172 CarbonylContact O-C 3.51Å; M155-N172 VanDerWaalsContact O-CA 3.32Å; M155-N172 WeakPolarHBondContact O-CA 3.22Å; N172-L216 CarbonylContact O-C 3.51Å; N172-L216 WeakPolarHBondContact O-CA 3.33Å; N172-N217 HydrophobicContact CB-CB 3.97Å; N172-N217 PolarHBondContact N-O 3.46Å; N172-N217 PolarHBondContact O-N 3.41Å
173I78.5Confident69.5Low25 Ų2555.2 Ų55.213%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-113.9118.9173.2-56.5175.1000106.9N154 M155 L171 I175 M214 L216N154-I173 CarbonylContact C-O 3.5Å; N154-I173 WeakPolarHBondContact CA-O 3.47Å; M155-I173 PolarHBondContact N-O 3.03Å; M155-I173 PolarHBondContact O-N 3.43Å; L171-I173 HydrophobicContact CD1-CG1 4.25Å; L171-I173 HydrophobicContact CD2-CD1 4.14Å; L171-I173 HydrophobicContact CD2-CG1 4.41Å; L171-I173 HydrophobicContact CG-CD1 4.43Å; L171-I173 HydrophobicContact CG-CG1 4.15Å; I173-I175 HydrophobicContact CG2-CG1 4.36Å; I173-M214 HydrophobicContact CG2-CG 4.28Å; I173-L216 HydrophobicContact CG1-CD1 4.16Å
174N81.1Confident69.1Low23 Ų2351.6 Ų51.612%0.12328%0.284CS..EExtended strand (participates in β ladder)trans-114.3131174.6-17221.8000108.9L152 S153 Q176 M214 D215L152-N174 WeakPolarHBondContact CD1-OD1 2.77Å; S153-N174 CarbonylContact O-C 3.48Å; S153-N174 WeakPolarHBondContact O-CA 3.27Å; S153-N174 PolarHBondContact O-OD1 3.42Å; N174-Q176 PolarHBondContact ND2-NE2 3.48Å; N174-Q176 VanDerWaalsContact ND2-NE2 3.16Å; N174-M214 CarbonylContact O-C 3.52Å; N174-M214 VanDerWaalsContact O-CA 3.22Å; N174-M214 WeakPolarHBondContact O-CA 3.39Å; N174-D215 HydrophobicContact CB-CB 4.08Å; N174-D215 PolarHBondContact N-O 3.42Å; N174-D215 PolarHBondContact ND2-OD2 2.72Å; N174-D215 PolarHBondContact O-N 3.22Å
175I79.9Confident68.8Low45 Ų4554.4 Ų54.423%0.23130%0.299CS..EExtended strand (participates in β ladder)trans-121.3124.7175.6-63.1168.7000107L150 L152 S153 I173 L212 Y213 M214L150-I175 HydrophobicContact CD2-CG2 4.13Å; L152-I175 CarbonylContact C-O 3.48Å; L152-I175 WeakPolarHBondContact CA-O 3.26Å; S153-I175 PolarHBondContact N-O 2.82Å; S153-I175 PolarHBondContact O-N 3.3Å; I173-I175 HydrophobicContact CG2-CG1 4.36Å; I175-L212 HydrophobicContact CG2-CD1 3.58Å; I175-L212 HydrophobicContact CG2-CG 4.33Å; I175-Y213 CarbonylContact C-O 3.55Å; I175-Y213 WeakPolarHBondContact CA-O 3.32Å; I175-M214 HydrophobicContact CG1-CG 4.3Å
176Q81.9Confident68.3Low58 Ų5852.1 Ų52.127%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-120134.4179.2-53-171.939.600108.4L152 N174 W211 L212 Y213 D215L152-Q176 HydrophobicContact CD1-CG 3.79Å; N174-Q176 PolarHBondContact ND2-NE2 3.48Å; N174-Q176 VanDerWaalsContact ND2-NE2 3.16Å; Q176-W211 HydrophobicContact CB-CZ3 3.96Å; Q176-L212 CarbonylContact O-C 3.48Å; Q176-L212 WeakPolarHBondContact O-CA 3.47Å; Q176-Y213 PolarHBondContact N-O 3.02Å; Q176-Y213 PolarHBondContact O-N 2.96Å; Q176-D215 PolarHBondContact NE2-OD2 3.12Å
177A79.7Confident67.5Low6 Ų654.2 Ų54.25%0.0530%0.299CS..EExtended strand (participates in β ladder)trans-133150.5176.400000111.1L150 Q151 L180 W211 L212L150-A177 WeakPolarHBondContact O-CB 3.46Å; Q151-A177 PolarHBondContact O-N 3.45Å; A177-L180 HydrophobicContact CB-CD1 3.62Å; A177-L180 HydrophobicContact CB-CD2 4.15Å; A177-L180 HydrophobicContact CB-CG 3.75Å; A177-W211 WeakPolarHBondContact CA-O 3.18Å; A177-L212 HydrophobicContact CB-CD1 3.4Å; A177-L212 VanDerWaalsContact CB-CD1 3.4Å
178N79.2Confident65.8Low51 Ų5155.9 Ų55.927%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-130.1136.2178.8-17456.8000110.7L180 E209 T210 W211N178-L180 PolarHBondContact O-N 2.71Å; N178-E209 PolarHBondContact ND2-O 2.63Å; N178-E209 VanDerWaalsContact ND2-O 3.1Å; N178-T210 WeakPolarHBondContact O-CA 3.22Å; N178-W211 HydrophobicContact CB-CD2 3.5Å; N178-W211 HydrophobicContact CB-CE3 3.92Å; N178-W211 HydrophobicContact CB-CG 4.09Å; N178-W211 HydrophobicContact CB-CH2 3.83Å; N178-W211 HydrophobicContact CB-CZ2 3.38Å; N178-W211 HydrophobicContact CB-CZ3 4.07Å; N178-W211 PolarHBondContact N-O 3.3Å; N178-W211 PolarHBondContact ND2-NE1 2.93Å; N178-W211 PolarHBondContact O-N 3.42Å
179E71.3Confident64.6Low61 Ų6162.4 Ų62.429%0.28533%0.33SS..  trans50.736.7170.5-64.2-68173.800114M181 N182 T210E179-M181 PolarHBondContact O-N 2.86Å; E179-M181 VanDerWaalsContact O-N 3.11Å; E179-M181 WeakPolarHBondContact OE2-CE 3.38Å; E179-N182 WeakPolarHBondContact O-CB 3.46Å; E179-N182 PolarHBondContact O-N 3.27Å; E179-T210 PolarHBondContact O-OG1 3.46Å
180L69.1Low62.6Low36 Ų3668.5 Ų68.519%0.18836%0.362CS..G310 helixtrans-59.1-23.2175.7-68.5-176.3000112.1L150 A177 N178 N182 L183 T210 F229L150-L180 HydrophobicContact CB-CD1 4.13Å; L150-L180 WeakPolarHBondContact O-CD1 3.25Å; A177-L180 HydrophobicContact CB-CD1 3.62Å; A177-L180 HydrophobicContact CB-CD2 4.15Å; A177-L180 HydrophobicContact CB-CG 3.75Å; N178-L180 PolarHBondContact O-N 2.71Å; L180-N182 PolarHBondContact O-N 3.35Å; L180-L183 HydrophobicContact CB-CD1 4.41Å; L180-L183 HydrophobicContact CD2-CD1 3.76Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 2.99Å; L180-L183 WeakPolarHBondContact O-CG 3.09Å; L180-L183 PolarHBondContact O-N 3.32Å; L180-T210 HydrophobicContact CD2-CG2 3.96Å; L180-F229 HydrophobicContact CD2-CE1 4.44Å; L180-F229 HydrophobicContact CD2-CZ 3.74Å
181M65Low61Low65 Ų6573.2 Ų73.232%0.3238%0.38SS..G310 helixtrans-57.5-28.8173.268.6-170.485.200113.4N147 E179 L183 G184N147-M181 HydrophobicContact CB-CB 4.43Å; N147-M181 PolarHBondContact ND2-SD 3.31Å; E179-M181 PolarHBondContact O-N 2.86Å; E179-M181 VanDerWaalsContact O-N 3.11Å; E179-M181 WeakPolarHBondContact OE2-CE 3.38Å; M181-L183 PolarHBondContact O-N 2.77Å; M181-L183 VanDerWaalsContact O-N 3.16Å; M181-G184 PolarHBondContact O-N 2.83Å
182N66.7Low58.8Low67 Ų6782.2 Ų82.236%0.35842%0.419SS..G310 helixtrans-64.5-19.6177.3-69.6-18.8000112.6E179 L180 G208 T210E179-N182 WeakPolarHBondContact O-CB 3.46Å; E179-N182 PolarHBondContact O-N 3.27Å; L180-N182 PolarHBondContact O-N 3.35Å; N182-G208 PolarHBondContact ND2-O 2.54Å; N182-T210 WeakPolarHBondContact CB-OG1 3.45Å
183L61Low56.6Low34 Ų3488.6 Ų88.618%0.17845%0.448CS..G310 helixtrans-82.2-20.9174.9-52166.2000112.2L180 M181 T210 F229 I236L180-L183 HydrophobicContact CB-CD1 4.41Å; L180-L183 HydrophobicContact CD2-CD1 3.76Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 2.99Å; L180-L183 WeakPolarHBondContact O-CG 3.09Å; L180-L183 PolarHBondContact O-N 3.32Å; M181-L183 PolarHBondContact O-N 2.77Å; M181-L183 VanDerWaalsContact O-N 3.16Å; L183-T210 HydrophobicContact CD1-CG2 3.82Å; L183-T210 HydrophobicContact CD2-CG2 4.05Å; L183-T210 HydrophobicContact CG-CG2 3.84Å; L183-F229 HydrophobicContact CD1-CZ 4.22Å; L183-I236 HydrophobicContact CD1-CD1 3.1Å; L183-I236 HydrophobicContact CD2-CD1 3.32Å; L183-I236 HydrophobicContact CD2-CG1 4.29Å; L183-I236 HydrophobicContact CG-CD1 3.73Å
184G52.3Low54.3Low41 Ų4193.1 Ų93.142%0.42348%0.479SS..  trans-101.99.4-161.400000116.3M181 I186 L187M181-G184 PolarHBondContact O-N 2.83Å; G184-I186 PolarHBondContact O-N 3.29Å; G184-L187 PolarHBondContact O-N 3.07Å
185N48.1Very low51.8Low157 Ų157101 Ų10184%0.8452%0.515SS*.THydrogen-bonded Turntrans-61.314174.5-90.3-15.3000114.8
186I44.2Very low49.4Very low129 Ų129107.2 Ų107.266%0.66254%0.543SS*.THydrogen-bonded Turntrans-93.8-8.1179.2-55.9173.2000111.9G184 I233G184-I186 PolarHBondContact O-N 3.29Å; I186-I233 HydrophobicContact CD1-CD1 3.84Å
187L36.8Very low46.9Very low117 Ų117112.7 Ų112.761%0.61357%0.568SS**SBendtrans-119.1117.4174.6-74.3163000111.4G184 Y189 I351G184-L187 PolarHBondContact O-N 3.07Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.17Å; L187-I351 HydrophobicContact CD1-CG2 3.99Å
188P29.9Very low44.4Very low106 Ų106122 Ų12269%0.68861%0.611SS**  trans-71.294.8172.129.5-29.5000107.4N190P188-N190 PolarHBondContact O-N 2.86Å
189Y38.7Very low42Very low182 Ų182124.9 Ų124.971%0.71464%0.635SS**  trans-6893.9166.3-145.7-83.4000107L187 K191L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.17Å; Y189-K191 HydrophobicContact CD1-CB 4.42Å; Y189-K191 HydrophobicContact CD1-CD 4.17Å; Y189-K191 HydrophobicContact CD1-CG 3.87Å; Y189-K191 HydrophobicContact CE1-CD 4.14Å; Y189-K191 HydrophobicContact CE1-CG 3.94Å; Y189-K191 PolarHBondContact O-N 2.8Å
190N28.7Very low39.8Very low146 Ų146128.8 Ų128.878%0.78166%0.663SS**  trans-66.566.5171.3-84.2-33.4000109.9P188 K192P188-N190 PolarHBondContact O-N 2.86Å; N190-K192 PolarHBondContact O-N 3.15Å
191K36.7Very low37.8Very low145 Ų145135.4 Ų135.463%0.6370%0.695SS**  trans-79.996.8151.1-90.3176.3-179.4173.30105.8Y189 Q193Y189-K191 HydrophobicContact CD1-CB 4.42Å; Y189-K191 HydrophobicContact CD1-CD 4.17Å; Y189-K191 HydrophobicContact CD1-CG 3.87Å; Y189-K191 HydrophobicContact CE1-CD 4.14Å; Y189-K191 HydrophobicContact CE1-CG 3.94Å; Y189-K191 PolarHBondContact O-N 2.8Å; K191-Q193 PolarHBondContact O-N 2.82Å
192K28.3Very low35.9Very low206 Ų206137.4 Ų137.490%0.89672%0.722SS**  trans-57.983155-75.5-177.7176.1179.80107.2N190N190-K192 PolarHBondContact O-N 3.15Å
193Q31.4Very low34Very low160 Ų160139.7 Ų139.775%0.74874%0.739SS**  trans-74.8136.5161.3-84.9-176.1-16.400107.6K191 Q195K191-Q193 PolarHBondContact O-N 2.82Å; Q193-Q195 PolarHBondContact O-N 2.79Å
194P30.6Very low32.3Very low120 Ų120144.1 Ų144.178%0.77977%0.767SS**  trans-60.3127175.2-12.826.4000108.4Q196P194-Q196 PolarHBondContact O-N 2.98Å
195Q28.2Very low31.2Very low190 Ų190147.6 Ų147.689%0.88878%0.781SS**  trans-52.4111.2163.1-73.7177.1-21.700108.2Q193Q193-Q195 PolarHBondContact O-N 2.79Å
196Q30Very low30.6Very low175 Ų175146 Ų14682%0.81878%0.777SS**  trans-157.7124.5153.5-109.9164.843.200111P194P194-Q196 PolarHBondContact O-N 2.98Å
197Q30Very low31.1Very low173 Ų173145 Ų14581%0.80878%0.777SS**  trans89.592.8159.8-61.6178.21.800117.7S199Q197-S199 PolarHBondContact O-N 2.8Å
198Q26.3Very low32.2Very low201 Ų201140.6 Ų140.694%0.93976%0.759SS**  trans-46.2120.6146.8-70.2164.7-3000110.8
199S29.4Very low34.2Very low112 Ų112142.7 Ų142.778%0.78376%0.76SS**  trans-146.9113.4147.956.50000108.8Q197 M201Q197-S199 PolarHBondContact O-N 2.8Å; S199-M201 PolarHBondContact O-N 2.84Å
200T25.3Very low36Very low143 Ų143134.4 Ų134.488%0.87773%0.728SS**  trans-55.3108.3170.441.80000111.8
201M27.4Very low38.5Very low174 Ų174130.7 Ų130.786%0.85770%0.703SS**  trans-146.8119.7143.5-85.7-162.7178.600107.7S199 T203S199-M201 PolarHBondContact O-N 2.84Å; M201-T203 PolarHBondContact O-N 2.83Å
202A23.1Very low40.6Very low108 Ų108125.2 Ų125.289%0.89368%0.681SS**  trans-66.186.2169.300000108.7T204A202-T204 PolarHBondContact O-N 2.8Å
203T27.2Very low43.2Very low114 Ų114118.8 Ų118.870%0.69965%0.652SS**  trans-79.2105.1157.645.60000106.3M201 T205M201-T203 PolarHBondContact O-N 2.83Å; T203-T205 PolarHBondContact O-N 2.84Å
204T25.3Very low45.5Very low127 Ų127112 Ų11278%0.77962%0.62SS**  trans-51.494.4156.443.60000107.4A202 T206A202-T204 PolarHBondContact O-N 2.8Å; T204-T206 PolarHBondContact O-N 2.89Å
205T30.5Very low48Very low114 Ų114107.6 Ų107.670%0.69959%0.59SS**  trans-64.295.2159.644.60000104.3T203 T207T203-T205 PolarHBondContact O-N 2.84Å; T205-T207 PolarHBondContact O-N 2.82Å
206T35.5Very low50.4Low124 Ų12498.8 Ų98.876%0.76155%0.549SS*.  trans-52.7101.2162.539.90000105.2T204 G208T204-T206 PolarHBondContact O-N 2.89Å; T206-G208 VanDerWaalsContact C-N 3.25Å; T206-G208 PolarHBondContact O-N 2.97Å
207T53.1Low52.7Low108 Ų10892.4 Ų92.466%0.66352%0.521SS*.  trans-60.397.1172.846.40000105.3T205 E209T205-T207 PolarHBondContact O-N 2.82Å; T207-E209 PolarHBondContact O-N 3.04Å
208G59.9Low54.7Low24 Ų2485.7 Ų85.725%0.24749%0.488CS..PPolyproline II helixtrans-54140.1174.600000108.2N182 T206 T210N182-G208 PolarHBondContact ND2-O 2.54Å; T206-G208 VanDerWaalsContact C-N 3.25Å; T206-G208 PolarHBondContact O-N 2.97Å; G208-T210 PolarHBondContact O-N 3.07Å
209E72.2Confident56.8Low150 Ų15077.7 Ų77.770%0.70145%0.451SS*.PPolyproline II helixtrans-58.1131.3174.1-67.6-176.716400108.4N178 T207 W211N178-E209 PolarHBondContact ND2-O 2.63Å; N178-E209 VanDerWaalsContact ND2-O 3.1Å; T207-E209 PolarHBondContact O-N 3.04Å; E209-W211 PolarHBondContact O-N 3.28Å
210T77.4Confident58.7Low8 Ų877.5 Ų77.55%0.04944%0.442CS..PPolyproline II helixtrans-71.5127.1173.5-52.90000108.1N178 E179 L180 N182 L183 G208 F229 S230 G231N178-T210 WeakPolarHBondContact O-CA 3.22Å; E179-T210 PolarHBondContact O-OG1 3.46Å; L180-T210 HydrophobicContact CD2-CG2 3.96Å; N182-T210 WeakPolarHBondContact CB-OG1 3.45Å; L183-T210 HydrophobicContact CD1-CG2 3.82Å; L183-T210 HydrophobicContact CD2-CG2 4.05Å; L183-T210 HydrophobicContact CG-CG2 3.84Å; G208-T210 PolarHBondContact O-N 3.07Å; T210-F229 HydrophobicContact CG2-CE2 3.67Å; T210-F229 HydrophobicContact CG2-CZ 4Å; T210-S230 CarbonylContact O-C 3.55Å; T210-S230 WeakPolarHBondContact O-CA 3.24Å; T210-G231 WeakPolarHBondContact CB-O 3.23Å; T210-G231 PolarHBondContact O-N 2.92Å
211W81.7Confident60.8Low68 Ų6874 Ų7426%0.25842%0.417SS..EExtended strand (participates in β ladder)trans-147.8159.7176.552.2-106.2000111.4Q176 A177 N178 E209 Y213 F229Q176-W211 HydrophobicContact CB-CZ3 3.96Å; A177-W211 WeakPolarHBondContact CA-O 3.18Å; N178-W211 HydrophobicContact CB-CD2 3.5Å; N178-W211 HydrophobicContact CB-CE3 3.92Å; N178-W211 HydrophobicContact CB-CG 4.09Å; N178-W211 HydrophobicContact CB-CH2 3.83Å; N178-W211 HydrophobicContact CB-CZ2 3.38Å; N178-W211 HydrophobicContact CB-CZ3 4.07Å; N178-W211 PolarHBondContact N-O 3.3Å; N178-W211 PolarHBondContact ND2-NE1 2.93Å; N178-W211 PolarHBondContact O-N 3.42Å; E209-W211 PolarHBondContact O-N 3.28Å; W211-Y213 HydrophobicContact CB-CE2 4.22Å; W211-Y213 AromaticContact CD2-CD2 3.84Å; W211-Y213 HydrophobicContact CD2-CD2 3.84Å; W211-Y213 AromaticContact CD2-CE2 3.71Å; W211-Y213 HydrophobicContact CD2-CE2 3.71Å; W211-Y213 AromaticContact CE3-CD2 3.25Å; W211-Y213 HydrophobicContact CE3-CD2 3.25Å; W211-Y213 AromaticContact CE3-CE2 3.65Å; W211-Y213 HydrophobicContact CE3-CE2 3.65Å; W211-Y213 HydrophobicContact CE3-CG 4.36Å; W211-Y213 HydrophobicContact CG-CD2 4.49Å; W211-Y213 HydrophobicContact CG-CE2 4Å; W211-Y213 HydrophobicContact CH2-CD2 4.33Å; W211-Y213 AromaticContact CZ3-CD2 3.55Å; W211-Y213 HydrophobicContact CZ3-CD2 3.55Å; W211-Y213 HydrophobicContact CZ3-CE2 4.21Å; W211-F229 CarbonylContact C-O 3.52Å; W211-F229 VanDerWaalsContact CA-O 3.27Å; W211-F229 WeakPolarHBondContact CA-O 3.5Å
212L80.1Confident63.2Low31 Ų3169.6 Ų69.616%0.16240%0.404CS..EExtended strand (participates in β ladder)trans-138120174.2-176.175.1000108.8I175 Q176 A177 L228 F229I175-L212 HydrophobicContact CG2-CD1 3.58Å; I175-L212 HydrophobicContact CG2-CG 4.33Å; Q176-L212 CarbonylContact O-C 3.48Å; Q176-L212 WeakPolarHBondContact O-CA 3.47Å; A177-L212 HydrophobicContact CB-CD1 3.4Å; A177-L212 VanDerWaalsContact CB-CD1 3.4Å; L212-L228 HydrophobicContact CB-CB 4.29Å; L212-L228 HydrophobicContact CD2-CB 3.92Å; L212-L228 HydrophobicContact CD2-CD1 3.49Å; L212-L228 VanDerWaalsContact CD2-CD1 3.49Å; L212-L228 HydrophobicContact CD2-CG 4.34Å; L212-L228 HydrophobicContact CG-CB 4.17Å; L212-L228 HydrophobicContact CG-CD1 3.83Å; L212-L228 WeakPolarHBondContact O-CB 3.48Å; L212-L228 PolarHBondContact O-N 2.81Å; L212-F229 HydrophobicContact CB-CD1 3.58Å; L212-F229 HydrophobicContact CB-CE1 3.27Å; L212-F229 HydrophobicContact CB-CG 4.47Å; L212-F229 HydrophobicContact CB-CZ 3.93Å; L212-F229 HydrophobicContact CD2-CD1 4.13Å; L212-F229 HydrophobicContact CD2-CE1 3.82Å; L212-F229 HydrophobicContact CG-CE1 4.15Å; L212-F229 PolarHBondContact N-O 3.32Å; L212-F229 PolarHBondContact O-N 3.34Å
213Y82.7Confident65.7Low71 Ų7167.4 Ų67.428%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-111.4151.3175.1-72.8-76.8000111I175 Q176 W211 Y226 E227I175-Y213 CarbonylContact C-O 3.55Å; I175-Y213 WeakPolarHBondContact CA-O 3.32Å; Q176-Y213 PolarHBondContact N-O 3.02Å; Q176-Y213 PolarHBondContact O-N 2.96Å; W211-Y213 HydrophobicContact CB-CE2 4.22Å; W211-Y213 AromaticContact CD2-CD2 3.84Å; W211-Y213 HydrophobicContact CD2-CD2 3.84Å; W211-Y213 AromaticContact CD2-CE2 3.71Å; W211-Y213 HydrophobicContact CD2-CE2 3.71Å; W211-Y213 AromaticContact CE3-CD2 3.25Å; W211-Y213 HydrophobicContact CE3-CD2 3.25Å; W211-Y213 AromaticContact CE3-CE2 3.65Å; W211-Y213 HydrophobicContact CE3-CE2 3.65Å; W211-Y213 HydrophobicContact CE3-CG 4.36Å; W211-Y213 HydrophobicContact CG-CD2 4.49Å; W211-Y213 HydrophobicContact CG-CE2 4Å; W211-Y213 HydrophobicContact CH2-CD2 4.33Å; W211-Y213 AromaticContact CZ3-CD2 3.55Å; W211-Y213 HydrophobicContact CZ3-CD2 3.55Å; W211-Y213 HydrophobicContact CZ3-CE2 4.21Å; Y213-Y226 CarbonylContact C-O 3.57Å; Y213-Y226 WeakPolarHBondContact CA-O 3.08Å; Y213-E227 HydrophobicContact CD1-CB 3.82Å; Y213-E227 HydrophobicContact CD1-CG 4.05Å; Y213-E227 HydrophobicContact CE1-CB 3.4Å; Y213-E227 HydrophobicContact CE1-CG 3.47Å; Y213-E227 VanDerWaalsContact CE1-CG 3.47Å; Y213-E227 WeakPolarHBondContact CE1-OE2 3.4Å; Y213-E227 PolarHBondContact OH-OE2 3.21Å
214M80.1Confident68.1Low18 Ų1869.6 Ų69.69%0.08938%0.383CS..EExtended strand (participates in β ladder)trans-127.7122.7170.7179.1-173.269.900109.6I173 N174 I175 Y226 L228 F250 I251I173-M214 HydrophobicContact CG2-CG 4.28Å; N174-M214 CarbonylContact O-C 3.52Å; N174-M214 VanDerWaalsContact O-CA 3.22Å; N174-M214 WeakPolarHBondContact O-CA 3.39Å; I175-M214 HydrophobicContact CG1-CG 4.3Å; M214-Y226 HydrophobicContact CE-CD1 4.42Å; M214-Y226 PolarHBondContact N-O 3.43Å; M214-Y226 PolarHBondContact O-N 2.92Å; M214-L228 HydrophobicContact CB-CD1 4.04Å; M214-L228 HydrophobicContact CB-CG 4.29Å; M214-F250 HydrophobicContact CE-CD2 4.01Å; M214-F250 HydrophobicContact CE-CE2 3.58Å; M214-F250 HydrophobicContact SD-CE2 4.09Å; M214-I251 HydrophobicContact CE-CD1 4.28Å
215D82.4Confident70.8Confident27 Ų2767.4 Ų67.414%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-103.3138.4171-42.5-48.7000108.9N174 Q176 P225N174-D215 HydrophobicContact CB-CB 4.08Å; N174-D215 PolarHBondContact N-O 3.42Å; N174-D215 PolarHBondContact ND2-OD2 2.72Å; N174-D215 PolarHBondContact O-N 3.22Å; Q176-D215 PolarHBondContact NE2-OD2 3.12Å; D215-P225 WeakPolarHBondContact OD1-CA 3.25Å; D215-P225 WeakPolarHBondContact OD1-CB 3.25Å; D215-P225 WeakPolarHBondContact OD1-CG 3.06Å
216L78.7Confident73Confident4 Ų468.5 Ų68.52%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-127.9124.8177.1-172.3139.3000110.5L171 N172 I173 Y218 L223 I251 I284L171-L216 HydrophobicContact CD1-CD1 3.97Å; L171-L216 HydrophobicContact CD1-CD2 4.23Å; L171-L216 HydrophobicContact CD1-CG 4.09Å; N172-L216 CarbonylContact O-C 3.51Å; N172-L216 WeakPolarHBondContact O-CA 3.33Å; I173-L216 HydrophobicContact CG1-CD1 4.16Å; L216-Y218 HydrophobicContact CD2-CD1 3.99Å; L216-L223 HydrophobicContact CB-CD1 4.31Å; L216-L223 HydrophobicContact CD2-CD1 3.59Å; L216-L223 HydrophobicContact CD2-CG 4.24Å; L216-L223 WeakPolarHBondContact O-CB 3.4Å; L216-L223 PolarHBondContact O-N 3.4Å; L216-I251 HydrophobicContact CB-CD1 4.41Å; L216-I251 HydrophobicContact CD1-CD1 3.73Å; L216-I251 HydrophobicContact CG-CD1 4.46Å; L216-I284 HydrophobicContact CD1-CD1 3.37Å
217N78.5Confident75.1Confident42 Ų4266.2 Ų66.223%0.22534%0.344CS..EExtended strand (participates in β ladder)trans-111.7138.5168.8-47.6-35.2000109.2L171 N172 I221 S222L171-N217 CarbonylContact C-O 3.6Å; L171-N217 WeakPolarHBondContact CA-O 3.39Å; N172-N217 HydrophobicContact CB-CB 3.97Å; N172-N217 PolarHBondContact N-O 3.46Å; N172-N217 PolarHBondContact O-N 3.41Å; N217-I221 CarbonylContact C-O 3.52Å; N217-I221 VanDerWaalsContact CA-O 3.24Å; N217-I221 WeakPolarHBondContact CA-O 3.23Å; N217-S222 VanDerWaalsContact OD1-CA 3.22Å; N217-S222 WeakPolarHBondContact OD1-CA 3.32Å; N217-S222 WeakPolarHBondContact OD1-CB 3.19Å; N217-S222 PolarHBondContact OD1-OG 2.86Å
218Y72.9Confident76.3Confident31 Ų3164.2 Ų64.212%0.12233%0.329CS..EExtended strand (participates in β ladder)trans-138.8131.3175.571.5-80.2000110L170 L216 D220 I221 L223 F253 K255L170-Y218 WeakPolarHBondContact O-CA 3.4Å; L216-Y218 HydrophobicContact CD2-CD1 3.99Å; Y218-D220 PolarHBondContact O-N 2.89Å; Y218-I221 HydrophobicContact CD1-CB 4.32Å; Y218-I221 WeakPolarHBondContact CD1-O 3.39Å; Y218-I221 HydrophobicContact CE1-CB 3.89Å; Y218-I221 HydrophobicContact CE1-CG2 3.84Å; Y218-I221 HydrophobicContact CE2-CB 4.42Å; Y218-I221 HydrophobicContact CE2-CD1 4.31Å; Y218-I221 PolarHBondContact N-O 2.9Å; Y218-I221 WeakPolarHBondContact O-CA 3.38Å; Y218-I221 WeakPolarHBondContact O-CB 3.44Å; Y218-I221 PolarHBondContact O-N 3.13Å; Y218-L223 HydrophobicContact CD1-CD1 4.36Å; Y218-L223 HydrophobicContact CD1-CD2 4.44Å; Y218-L223 HydrophobicContact CD1-CG 4.1Å; Y218-L223 HydrophobicContact CE1-CD1 4.33Å; Y218-L223 HydrophobicContact CE1-CD2 3.71Å; Y218-L223 HydrophobicContact CE1-CG 3.86Å; Y218-F253 HydrophobicContact CD1-CE1 4.36Å; Y218-F253 HydrophobicContact CD1-CZ 4.13Å; Y218-F253 HydrophobicContact CD2-CD2 4.22Å; Y218-F253 HydrophobicContact CD2-CE1 4.34Å; Y218-F253 AromaticContact CD2-CE2 3.35Å; Y218-F253 HydrophobicContact CD2-CE2 3.35Å; Y218-F253 AromaticContact CD2-CZ 3.4Å; Y218-F253 HydrophobicContact CD2-CZ 3.4Å; Y218-F253 VanDerWaalsContact CD2-CZ 3.4Å; Y218-F253 AromaticContact CE2-CD2 3.97Å; Y218-F253 HydrophobicContact CE2-CD2 3.97Å; Y218-F253 AromaticContact CE2-CE2 3.56Å; Y218-F253 HydrophobicContact CE2-CE2 3.56Å; Y218-F253 AromaticContact CE2-CZ 3.94Å; Y218-F253 HydrophobicContact CE2-CZ 3.94Å; Y218-F253 HydrophobicContact CG-CE1 4.17Å; Y218-F253 AromaticContact CG-CE2 3.97Å; Y218-F253 HydrophobicContact CG-CE2 3.97Å; Y218-F253 AromaticContact CG-CZ 3.51Å; Y218-F253 HydrophobicContact CG-CZ 3.51Å; Y218-K255 HydrophobicContact CE2-CD 3.91Å
219L69Low77.2Confident33 Ų3364.2 Ų64.217%0.17332%0.322CS..THydrogen-bonded Turntrans45.847.4-176.3-60174.4000112.2L168 S169 L170 I221 K255 L280L168-L219 HydrophobicContact CD2-CD2 3.96Å; S169-L219 WeakPolarHBondContact O-CA 3.34Å; S169-L219 PolarHBondContact O-N 3.26Å; S169-L219 VanDerWaalsContact O-N 3.17Å; L170-L219 HydrophobicContact CD2-CD2 3.97Å; L170-L219 PolarHBondContact O-N 2.81Å; L170-L219 VanDerWaalsContact O-N 3.15Å; L219-I221 PolarHBondContact O-N 3.27Å; L219-I221 VanDerWaalsContact O-N 3.13Å; L219-K255 HydrophobicContact CD1-CD 4.08Å; L219-L280 HydrophobicContact CD1-CD2 3.6Å; L219-L280 HydrophobicContact CG-CD2 4.3Å
220D70.5Confident77.7Confident109 Ų10959 Ų5958%0.58330%0.302SS*.THydrogen-bonded Turntrans59.113-174.7-54.7-29.1000116.5L168 S169 Y218L168-D220 VanDerWaalsContact CD1-OD2 3.26Å; L168-D220 WeakPolarHBondContact CD1-OD2 3.27Å; S169-D220 WeakPolarHBondContact CB-OD1 3.32Å; S169-D220 PolarHBondContact N-OD1 2.83Å; S169-D220 PolarHBondContact O-N 3.19Å; Y218-D220 PolarHBondContact O-N 2.89Å
221I68Low77.6Confident68 Ų6859.8 Ų59.835%0.34931%0.312SS..EExtended strand (participates in β ladder)trans-96.3116.4170.7-58.2-174.2000109.4N217 Y218 L219N217-I221 CarbonylContact C-O 3.52Å; N217-I221 VanDerWaalsContact CA-O 3.24Å; N217-I221 WeakPolarHBondContact CA-O 3.23Å; Y218-I221 HydrophobicContact CD1-CB 4.32Å; Y218-I221 WeakPolarHBondContact CD1-O 3.39Å; Y218-I221 HydrophobicContact CE1-CB 3.89Å; Y218-I221 HydrophobicContact CE1-CG2 3.84Å; Y218-I221 HydrophobicContact CE2-CB 4.42Å; Y218-I221 HydrophobicContact CE2-CD1 4.31Å; Y218-I221 PolarHBondContact N-O 2.9Å; Y218-I221 WeakPolarHBondContact O-CA 3.38Å; Y218-I221 WeakPolarHBondContact O-CB 3.44Å; Y218-I221 PolarHBondContact O-N 3.13Å; L219-I221 PolarHBondContact O-N 3.27Å; L219-I221 VanDerWaalsContact O-N 3.13Å
222S78Confident77.2Confident83 Ų8358.4 Ų58.458%0.5832%0.318SS*.EExtended strand (participates in β ladder)trans-79.4122.7170.4-63.70000111.7N217N217-S222 VanDerWaalsContact OD1-CA 3.22Å; N217-S222 WeakPolarHBondContact OD1-CA 3.32Å; N217-S222 WeakPolarHBondContact OD1-CB 3.19Å; N217-S222 PolarHBondContact OD1-OG 2.86Å
223L76.6Confident76.8Confident62 Ų6260.9 Ų60.933%0.32533%0.331SS..PPolyproline II helixtrans-76.7159.3165-65.1179.6000110.1L216 Y218 I251L216-L223 HydrophobicContact CB-CD1 4.31Å; L216-L223 HydrophobicContact CD2-CD1 3.59Å; L216-L223 HydrophobicContact CD2-CG 4.24Å; L216-L223 WeakPolarHBondContact O-CB 3.4Å; L216-L223 PolarHBondContact O-N 3.4Å; Y218-L223 HydrophobicContact CD1-CD1 4.36Å; Y218-L223 HydrophobicContact CD1-CD2 4.44Å; Y218-L223 HydrophobicContact CD1-CG 4.1Å; Y218-L223 HydrophobicContact CE1-CD1 4.33Å; Y218-L223 HydrophobicContact CE1-CD2 3.71Å; Y218-L223 HydrophobicContact CE1-CG 3.86Å; L223-I251 HydrophobicContact CD1-CD1 4.34Å
224L77.6Confident76.3Confident160 Ų16061.2 Ų61.284%0.83834%0.344SS*.PPolyproline II helixtrans-63.2137.2172.4-71.8169.5000109.9Y226L224-Y226 PolarHBondContact O-N 3.19Å
225P80.7Confident75.9Confident80 Ų8063.7 Ų63.752%0.51936%0.357SS..PPolyproline II helixtrans-49.1131.1173.3-29.936.1000111.8D215D215-P225 WeakPolarHBondContact OD1-CA 3.25Å; D215-P225 WeakPolarHBondContact OD1-CB 3.25Å; D215-P225 WeakPolarHBondContact OD1-CG 3.06Å
226Y76.6Confident75.3Confident137 Ų13763.9 Ų63.954%0.53736%0.358SS..EExtended strand (participates in β ladder)trans-100.9118.9176.7-172.6-104000110Y213 M214 L224 L228Y213-Y226 CarbonylContact C-O 3.57Å; Y213-Y226 WeakPolarHBondContact CA-O 3.08Å; M214-Y226 HydrophobicContact CE-CD1 4.42Å; M214-Y226 PolarHBondContact N-O 3.43Å; M214-Y226 PolarHBondContact O-N 2.92Å; L224-Y226 PolarHBondContact O-N 3.19Å; Y226-L228 HydrophobicContact CD1-CD2 3.74Å; Y226-L228 HydrophobicContact CD1-CG 4.23Å; Y226-L228 HydrophobicContact CE1-CD2 3.84Å; Y226-L228 PolarHBondContact O-N 2.62Å
227E81.3Confident74.9Confident77 Ų7766.8 Ų66.836%0.3637%0.372SS..EExtended strand (participates in β ladder)trans-73.8110171.4-162.5175.411600109.4Y213 S230Y213-E227 HydrophobicContact CD1-CB 3.82Å; Y213-E227 HydrophobicContact CD1-CG 4.05Å; Y213-E227 HydrophobicContact CE1-CB 3.4Å; Y213-E227 HydrophobicContact CE1-CG 3.47Å; Y213-E227 VanDerWaalsContact CE1-CG 3.47Å; Y213-E227 WeakPolarHBondContact CE1-OE2 3.4Å; Y213-E227 PolarHBondContact OH-OE2 3.21Å; E227-S230 WeakPolarHBondContact OE1-CB 3.33Å; E227-S230 PolarHBondContact OE1-N 2.78Å; E227-S230 PolarHBondContact OE1-OG 2.8Å
228L76.6Confident74.6Confident65 Ų6567.9 Ų67.934%0.3438%0.383SS..EExtended strand (participates in β ladder)trans-72.2-40.4175-69.9170.8000110.3L212 M214 Y226L212-L228 HydrophobicContact CB-CB 4.29Å; L212-L228 HydrophobicContact CD2-CB 3.92Å; L212-L228 HydrophobicContact CD2-CD1 3.49Å; L212-L228 VanDerWaalsContact CD2-CD1 3.49Å; L212-L228 HydrophobicContact CD2-CG 4.34Å; L212-L228 HydrophobicContact CG-CB 4.17Å; L212-L228 HydrophobicContact CG-CD1 3.83Å; L212-L228 WeakPolarHBondContact O-CB 3.48Å; L212-L228 PolarHBondContact O-N 2.81Å; M214-L228 HydrophobicContact CB-CD1 4.04Å; M214-L228 HydrophobicContact CB-CG 4.29Å; Y226-L228 HydrophobicContact CD1-CD2 3.74Å; Y226-L228 HydrophobicContact CD1-CG 4.23Å; Y226-L228 HydrophobicContact CE1-CD2 3.84Å; Y226-L228 PolarHBondContact O-N 2.62Å
229F80.4Confident74.6Confident25 Ų2570 Ų7011%0.1140%0.396CS..EExtended strand (participates in β ladder)trans-162.8156166.874-90000111.3L180 L183 T210 W211 L212 I236 L239L180-F229 HydrophobicContact CD2-CE1 4.44Å; L180-F229 HydrophobicContact CD2-CZ 3.74Å; L183-F229 HydrophobicContact CD1-CZ 4.22Å; T210-F229 HydrophobicContact CG2-CE2 3.67Å; T210-F229 HydrophobicContact CG2-CZ 4Å; W211-F229 CarbonylContact C-O 3.52Å; W211-F229 VanDerWaalsContact CA-O 3.27Å; W211-F229 WeakPolarHBondContact CA-O 3.5Å; L212-F229 HydrophobicContact CB-CD1 3.58Å; L212-F229 HydrophobicContact CB-CE1 3.27Å; L212-F229 HydrophobicContact CB-CG 4.47Å; L212-F229 HydrophobicContact CB-CZ 3.93Å; L212-F229 HydrophobicContact CD2-CD1 4.13Å; L212-F229 HydrophobicContact CD2-CE1 3.82Å; L212-F229 HydrophobicContact CG-CE1 4.15Å; L212-F229 PolarHBondContact N-O 3.32Å; L212-F229 PolarHBondContact O-N 3.34Å; F229-I236 HydrophobicContact CD2-CD1 4.2Å; F229-I236 HydrophobicContact CD2-CG1 3.98Å; F229-I236 HydrophobicContact CE1-CD1 4.12Å; F229-I236 HydrophobicContact CE1-CG1 4.44Å; F229-I236 HydrophobicContact CE2-CD1 3.62Å; F229-I236 HydrophobicContact CE2-CG1 3.92Å; F229-I236 HydrophobicContact CG-CG1 4.3Å; F229-I236 HydrophobicContact CZ-CD1 3.58Å; F229-I236 HydrophobicContact CZ-CG1 4.17Å; F229-L239 HydrophobicContact CB-CD1 3.55Å; F229-L239 HydrophobicContact CG-CD1 4.34Å
230S81.2Confident74.7Confident41 Ų4171 Ų7129%0.28740%0.401SS..EExtended strand (participates in β ladder)trans-131.1152.9159.357.30000109.8T210 E227 N235T210-S230 CarbonylContact O-C 3.55Å; T210-S230 WeakPolarHBondContact O-CA 3.24Å; E227-S230 WeakPolarHBondContact OE1-CB 3.33Å; E227-S230 PolarHBondContact OE1-N 2.78Å; E227-S230 PolarHBondContact OE1-OG 2.8Å; S230-N235 PolarHBondContact O-ND2 2.87Å
231G76.9Confident74.7Confident24 Ų2473.4 Ų73.425%0.24741%0.407CS..SBendtrans102.6-161.517500000114.3T210T210-G231 WeakPolarHBondContact CB-O 3.23Å; T210-G231 PolarHBondContact O-N 2.92Å
232G72.7Confident74.9Confident38 Ų3873.3 Ų73.339%0.39241%0.412SS..SBendtrans-84.6-175.5-169.400000115.2S234 N235G232-S234 PolarHBondContact O-N 2.96Å; G232-N235 PolarHBondContact O-N 2.76Å
233I70.5Confident74.5Confident83 Ų8371.1 Ų71.143%0.42640%0.397SS..Hα-helixtrans-55.4-25.9-179.4-159161.1000113.7I186 N235 I236 M237I186-I233 HydrophobicContact CD1-CD1 3.84Å; I233-N235 VanDerWaalsContact C-N 3.33Å; I233-N235 PolarHBondContact O-N 3.04Å; I233-I236 PolarHBondContact O-N 3.46Å; I233-M237 HydrophobicContact CG1-CG 4.29Å; I233-M237 WeakPolarHBondContact O-CB 3.39Å; I233-M237 VanDerWaalsContact O-CG 3.25Å; I233-M237 WeakPolarHBondContact O-CG 3.5Å; I233-M237 PolarHBondContact O-N 2.82Å
234S72.4Confident74.4Confident79 Ų7970.1 Ų70.155%0.55239%0.394SS*.Hα-helixtrans-60.1-41175.755.70000112.6G232 I236 M237 S238G232-S234 PolarHBondContact O-N 2.96Å; S234-I236 VanDerWaalsContact C-N 3.35Å; S234-M237 PolarHBondContact O-N 3.45Å; S234-S238 PolarHBondContact O-N 2.81Å
235N72Confident74.5Confident70 Ų7066.1 Ų66.137%0.37438%0.379SS..Hα-helixtrans-72.8-33.3-179.7-69.5-2.8000110.8S230 G232 I233 S238 L239S230-N235 PolarHBondContact O-ND2 2.87Å; G232-N235 PolarHBondContact O-N 2.76Å; I233-N235 VanDerWaalsContact C-N 3.33Å; I233-N235 PolarHBondContact O-N 3.04Å; N235-S238 PolarHBondContact O-OG 3.38Å; N235-L239 VanDerWaalsContact O-CG 3.29Å; N235-L239 WeakPolarHBondContact O-CG 3.46Å; N235-L239 PolarHBondContact O-N 2.87Å; N235-L239 VanDerWaalsContact O-N 3.1Å
236I70.8Confident74.8Confident31 Ų3169.3 Ų69.316%0.15939%0.387CS..Hα-helixtrans-71.3-41.1173.9-61.6-172.2000111.1L183 F229 I233 S234 S238 L239 L240L183-I236 HydrophobicContact CD1-CD1 3.1Å; L183-I236 HydrophobicContact CD2-CD1 3.32Å; L183-I236 HydrophobicContact CD2-CG1 4.29Å; L183-I236 HydrophobicContact CG-CD1 3.73Å; F229-I236 HydrophobicContact CD2-CD1 4.2Å; F229-I236 HydrophobicContact CD2-CG1 3.98Å; F229-I236 HydrophobicContact CE1-CD1 4.12Å; F229-I236 HydrophobicContact CE1-CG1 4.44Å; F229-I236 HydrophobicContact CE2-CD1 3.62Å; F229-I236 HydrophobicContact CE2-CG1 3.92Å; F229-I236 HydrophobicContact CG-CG1 4.3Å; F229-I236 HydrophobicContact CZ-CD1 3.58Å; F229-I236 HydrophobicContact CZ-CG1 4.17Å; I233-I236 PolarHBondContact O-N 3.46Å; S234-I236 VanDerWaalsContact C-N 3.35Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.99Å; I236-L239 CarbonylContact O-C 3.57Å; I236-L239 WeakPolarHBondContact O-CB 3.33Å; I236-L239 PolarHBondContact O-N 2.89Å; I236-L240 HydrophobicContact CG2-CD1 3.84Å; I236-L240 HydrophobicContact CG2-CG 4.08Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.95Å
237M70Confident75.3Confident64 Ų6466.1 Ų66.132%0.31538%0.376SS..Hα-helixtrans-63.8-38.7177.3-71.1-60.8-75.100111.2I233 S234 L239 L240 F241 I292I233-M237 HydrophobicContact CG1-CG 4.29Å; I233-M237 WeakPolarHBondContact O-CB 3.39Å; I233-M237 VanDerWaalsContact O-CG 3.25Å; I233-M237 WeakPolarHBondContact O-CG 3.5Å; I233-M237 PolarHBondContact O-N 2.82Å; S234-M237 PolarHBondContact O-N 3.45Å; M237-L239 VanDerWaalsContact C-N 3.35Å; M237-L240 PolarHBondContact O-N 2.68Å; M237-L240 HydrophobicContact SD-CD1 4.22Å; M237-F241 HydrophobicContact CB-CD2 4.3Å; M237-F241 HydrophobicContact CB-CE2 4.14Å; M237-F241 HydrophobicContact CE-CE1 4.47Å; M237-F241 HydrophobicContact CE-CE2 3.57Å; M237-F241 HydrophobicContact CE-CZ 3.51Å; M237-F241 WeakPolarHBondContact O-CB 3.3Å; M237-F241 WeakPolarHBondContact O-CD2 3.4Å; M237-F241 VanDerWaalsContact O-CG 3.31Å; M237-F241 WeakPolarHBondContact O-CG 3.38Å; M237-F241 PolarHBondContact O-N 2.77Å; M237-I292 HydrophobicContact CE-CD1 4.49Å
238S72.9Confident75.5Confident65 Ų6567.8 Ų67.846%0.45538%0.382SS..Hα-helixtrans-64.9-38.3173.867.30000112.2S234 N235 I236 S242S234-S238 PolarHBondContact O-N 2.81Å; N235-S238 PolarHBondContact O-OG 3.38Å; I236-S238 VanDerWaalsContact C-N 3.31Å; I236-S238 PolarHBondContact O-N 2.99Å; S238-S242 VanDerWaalsContact O-CB 3.32Å; S238-S242 WeakPolarHBondContact O-CB 3.41Å; S238-S242 PolarHBondContact O-N 2.79Å; S238-S242 PolarHBondContact O-OG 2.88Å
239L73Confident75.9Confident76 Ų7668.2 Ų68.240%0.39839%0.389SS..Hα-helixtrans-65.6-44.6173-72.9167.7000112.3F229 N235 I236 M237 F241 S242 S243F229-L239 HydrophobicContact CB-CD1 3.55Å; F229-L239 HydrophobicContact CG-CD1 4.34Å; N235-L239 VanDerWaalsContact O-CG 3.29Å; N235-L239 WeakPolarHBondContact O-CG 3.46Å; N235-L239 PolarHBondContact O-N 2.87Å; N235-L239 VanDerWaalsContact O-N 3.1Å; I236-L239 CarbonylContact O-C 3.57Å; I236-L239 WeakPolarHBondContact O-CB 3.33Å; I236-L239 PolarHBondContact O-N 2.89Å; M237-L239 VanDerWaalsContact C-N 3.35Å; L239-F241 PolarHBondContact O-N 2.79Å; L239-S242 WeakPolarHBondContact CA-OG 3.39Å; L239-S242 CarbonylContact O-C 3.58Å; L239-S242 PolarHBondContact O-N 3.42Å; L239-S242 PolarHBondContact O-OG 2.94Å; L239-S242 VanDerWaalsContact O-OG 3.04Å; L239-S243 WeakPolarHBondContact O-CB 3.48Å; L239-S243 PolarHBondContact O-N 2.84Å
240L70.2Confident76Confident54 Ų5471 Ų7128%0.28340%0.401SS..Hα-helixtrans-65-39.7177.3-71.6175.1000111.7I236 M237 S242 S243 L288 T290I236-L240 HydrophobicContact CG2-CD1 3.84Å; I236-L240 HydrophobicContact CG2-CG 4.08Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L240 VanDerWaalsContact O-CG 3.31Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.95Å; M237-L240 PolarHBondContact O-N 2.68Å; M237-L240 HydrophobicContact SD-CD1 4.22Å; L240-S242 VanDerWaalsContact C-N 3.34Å; L240-S243 WeakPolarHBondContact O-CB 3.44Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 2.84Å; L240-L288 HydrophobicContact CD2-CD2 4.03Å; L240-T290 HydrophobicContact CD2-CG2 3.84Å
241F70.9Confident76Confident160 Ų16070.4 Ų70.470%0.70239%0.394SS*.Hα-helixtrans-73.7-23.9176.4-70.9-50.2000113.7M237 L239M237-F241 HydrophobicContact CB-CD2 4.3Å; M237-F241 HydrophobicContact CB-CE2 4.14Å; M237-F241 HydrophobicContact CE-CE1 4.47Å; M237-F241 HydrophobicContact CE-CE2 3.57Å; M237-F241 HydrophobicContact CE-CZ 3.51Å; M237-F241 WeakPolarHBondContact O-CB 3.3Å; M237-F241 WeakPolarHBondContact O-CD2 3.4Å; M237-F241 VanDerWaalsContact O-CG 3.31Å; M237-F241 WeakPolarHBondContact O-CG 3.38Å; M237-F241 PolarHBondContact O-N 2.77Å; L239-F241 PolarHBondContact O-N 2.79Å
242S71.3Confident76.5Confident66 Ų6675.7 Ų75.746%0.46241%0.413SS..Hα-helixtrans-90.5-11.517359.90000113.4S238 L239 L240S238-S242 VanDerWaalsContact O-CB 3.32Å; S238-S242 WeakPolarHBondContact O-CB 3.41Å; S238-S242 PolarHBondContact O-N 2.79Å; S238-S242 PolarHBondContact O-OG 2.88Å; L239-S242 WeakPolarHBondContact CA-OG 3.39Å; L239-S242 CarbonylContact O-C 3.58Å; L239-S242 PolarHBondContact O-N 3.42Å; L239-S242 PolarHBondContact O-OG 2.94Å; L239-S242 VanDerWaalsContact O-OG 3.04Å; L240-S242 VanDerWaalsContact C-N 3.34Å
243S69.2Low76.9Confident36 Ų3675.3 Ų75.325%0.25240%0.4SS..  trans-65140.1176.877.60000110.7L239 L240L239-S243 WeakPolarHBondContact O-CB 3.48Å; L239-S243 PolarHBondContact O-N 2.84Å; L240-S243 WeakPolarHBondContact O-CB 3.44Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 2.84Å
244T74.9Confident77.7Confident42 Ų4277.2 Ų77.226%0.25841%0.41SS..  trans-123.2144-177.9550000109.8Q246 K248 L288T244-Q246 PolarHBondContact O-N 2.8Å; T244-Q246 PolarHBondContact OG1-O 2.82Å; T244-K248 VanDerWaalsContact OG1-CE 3.23Å; T244-K248 WeakPolarHBondContact OG1-CE 3.24Å; T244-L288 CarbonylContact C-O 3.58Å; T244-L288 VanDerWaalsContact C-O 3.25Å; T244-L288 PolarHBondContact O-N 2.71Å
245S81Confident78.1Confident76 Ų7676.1 Ų76.153%0.53140%0.395SS..SBendtrans-65.6-11.3166.256.90000113.1L288 E289S245-L288 PolarHBondContact N-O 3.47Å; S245-E289 WeakPolarHBondContact CB-OE1 3.4Å
246Q86.6Confident78.7Confident147 Ų14777.4 Ų77.469%0.68740%0.401SS*.SBendtrans-88140.2174.5-64.6-178.8-12.900110.9T244 K248T244-Q246 PolarHBondContact O-N 2.8Å; T244-Q246 PolarHBondContact OG1-O 2.82Å; Q246-K248 PolarHBondContact O-N 3.46Å
247F86.9Confident78.8Confident70 Ų7078.8 Ų78.831%0.30741%0.412SS..  trans-61.6124.6175.1-75.2-72.1000111.4N286 A287 N300 R302F247-N286 WeakPolarHBondContact CA-O 3.27Å; F247-A287 HydrophobicContact CD1-CB 3.75Å; F247-A287 HydrophobicContact CE1-CB 3.96Å; F247-A287 HydrophobicContact CG-CB 4.08Å; F247-A287 HydrophobicContact CZ-CB 4.48Å; F247-N300 HydrophobicContact CE1-CB 4.11Å; F247-N300 WeakPolarHBondContact CE1-O 3.37Å; F247-N300 HydrophobicContact CZ-CB 4.24Å; F247-N300 VanDerWaalsContact CZ-ND2 3.34Å; F247-N300 WeakPolarHBondContact CZ-ND2 3.32Å; F247-R302 HydrophobicContact CD1-CB 3.99Å; F247-R302 HydrophobicContact CE1-CB 3.47Å; F247-R302 VanDerWaalsContact CE1-CB 3.47Å; F247-R302 HydrophobicContact CZ-CB 3.92Å
248K85.6Confident79.1Confident111 Ų11176.2 Ų76.248%0.48340%0.4SS..EExtended strand (participates in β ladder)trans-113.3122169.2-70.8-179.2176.8171.10109.3T244 Q246 S285 N286T244-K248 VanDerWaalsContact OG1-CE 3.23Å; T244-K248 WeakPolarHBondContact OG1-CE 3.24Å; Q246-K248 PolarHBondContact O-N 3.46Å; K248-S285 VanDerWaalsContact O-CA 3.27Å; K248-S285 WeakPolarHBondContact O-CA 3.28Å; K248-N286 PolarHBondContact N-O 3.37Å; K248-N286 PolarHBondContact O-N 3.29Å
249P85.4Confident79.8Confident74 Ų7478.6 Ų78.648%0.48141%0.407SS..EExtended strand (participates in β ladder)trans-67.2134173.928.9-33000109.3R283 I284 S285P249-R283 HydrophobicContact CB-CG 4.08Å; P249-I284 WeakPolarHBondContact CA-O 3.38Å; P249-S285 WeakPolarHBondContact CA-OG 3.13Å
250F81.4Confident80.4Confident84 Ų8478.1 Ų78.137%0.36840%0.403SS..EExtended strand (participates in β ladder)trans-118.6-20.6173.862.2-89.6000112.1M214 I284 N286M214-F250 HydrophobicContact CE-CD2 4.01Å; M214-F250 HydrophobicContact CE-CE2 3.58Å; M214-F250 HydrophobicContact SD-CE2 4.09Å; F250-I284 WeakPolarHBondContact CD1-O 3.43Å; F250-I284 HydrophobicContact CE1-CB 4.15Å; F250-I284 HydrophobicContact CE1-CG2 3.61Å; F250-I284 HydrophobicContact CE2-CB 4.2Å; F250-I284 HydrophobicContact CE2-CG2 4.03Å; F250-I284 HydrophobicContact CZ-CB 3.82Å; F250-I284 HydrophobicContact CZ-CG2 3.23Å; F250-I284 PolarHBondContact N-O 2.77Å; F250-N286 HydrophobicContact CD1-CB 4.05Å; F250-N286 HydrophobicContact CE1-CB 3.89Å
251I81.6Confident81.2Confident29 Ų2983.2 Ų83.215%0.14942%0.419CS..EExtended strand (participates in β ladder)trans-131.2131.9170.7-71168.4000108.7M214 L216 L223 F253 R283 I284M214-I251 HydrophobicContact CE-CD1 4.28Å; L216-I251 HydrophobicContact CB-CD1 4.41Å; L216-I251 HydrophobicContact CD1-CD1 3.73Å; L216-I251 HydrophobicContact CG-CD1 4.46Å; L223-I251 HydrophobicContact CD1-CD1 4.34Å; I251-F253 HydrophobicContact CG2-CD1 3.7Å; I251-F253 HydrophobicContact CG2-CE1 3.86Å; I251-R283 CarbonylContact O-C 3.42Å; I251-R283 WeakPolarHBondContact O-CA 3.31Å; I251-I284 HydrophobicContact CB-CB 4.24Å; I251-I284 HydrophobicContact CB-CD1 4.46Å; I251-I284 HydrophobicContact CB-CG1 4.36Å; I251-I284 HydrophobicContact CD1-CD1 4.49Å; I251-I284 HydrophobicContact CG2-CD1 4.4Å; I251-I284 HydrophobicContact CG2-CG1 4.44Å; I251-I284 PolarHBondContact N-O 3.43Å; I251-I284 PolarHBondContact O-N 3.26Å
252Q86.4Confident81.8Confident135 Ų13577.5 Ų77.563%0.63140%0.395SS*.EExtended strand (participates in β ladder)trans-146.5127.3171.5-177.5176.5-10.600109I282 R283Q252-I282 WeakPolarHBondContact CA-O 3.34Å; Q252-R283 HydrophobicContact CB-CG 4.48Å; Q252-R283 HydrophobicContact CG-CB 4.47Å
253F82Confident82.6Confident30 Ų3079.9 Ų79.913%0.13240%0.399CS..EExtended strand (participates in β ladder)trans-146.4155.7174.559.2-91.9000111.8Y218 I251 T281 I282Y218-F253 HydrophobicContact CD1-CE1 4.36Å; Y218-F253 HydrophobicContact CD1-CZ 4.13Å; Y218-F253 HydrophobicContact CD2-CD2 4.22Å; Y218-F253 HydrophobicContact CD2-CE1 4.34Å; Y218-F253 AromaticContact CD2-CE2 3.35Å; Y218-F253 HydrophobicContact CD2-CE2 3.35Å; Y218-F253 AromaticContact CD2-CZ 3.4Å; Y218-F253 HydrophobicContact CD2-CZ 3.4Å; Y218-F253 VanDerWaalsContact CD2-CZ 3.4Å; Y218-F253 AromaticContact CE2-CD2 3.97Å; Y218-F253 HydrophobicContact CE2-CD2 3.97Å; Y218-F253 AromaticContact CE2-CE2 3.56Å; Y218-F253 HydrophobicContact CE2-CE2 3.56Å; Y218-F253 AromaticContact CE2-CZ 3.94Å; Y218-F253 HydrophobicContact CE2-CZ 3.94Å; Y218-F253 HydrophobicContact CG-CE1 4.17Å; Y218-F253 AromaticContact CG-CE2 3.97Å; Y218-F253 HydrophobicContact CG-CE2 3.97Å; Y218-F253 AromaticContact CG-CZ 3.51Å; Y218-F253 HydrophobicContact CG-CZ 3.51Å; I251-F253 HydrophobicContact CG2-CD1 3.7Å; I251-F253 HydrophobicContact CG2-CE1 3.86Å; F253-T281 WeakPolarHBondContact O-CA 3.3Å; F253-I282 HydrophobicContact CD1-CB 4.3Å; F253-I282 HydrophobicContact CD2-CB 4.31Å; F253-I282 HydrophobicContact CE1-CB 3.72Å; F253-I282 HydrophobicContact CE1-CD1 4.46Å; F253-I282 HydrophobicContact CE1-CG2 3.76Å; F253-I282 HydrophobicContact CE2-CB 3.74Å; F253-I282 HydrophobicContact CE2-CD1 3.67Å; F253-I282 HydrophobicContact CE2-CG1 3.96Å; F253-I282 HydrophobicContact CZ-CB 3.43Å; F253-I282 VanDerWaalsContact CZ-CB 3.43Å; F253-I282 HydrophobicContact CZ-CD1 3.43Å; F253-I282 VanDerWaalsContact CZ-CD1 3.43Å; F253-I282 HydrophobicContact CZ-CG1 3.87Å; F253-I282 HydrophobicContact CZ-CG2 3.78Å; F253-I282 PolarHBondContact N-O 3.34Å; F253-I282 PolarHBondContact O-N 3.49Å
254I86.4Confident83.1Confident123 Ų12379.4 Ų79.463%0.63140%0.395SS*.EExtended strand (participates in β ladder)trans-123.1129.2172.3-56.8179000105.9L280 T281I254-L280 CarbonylContact C-O 3.58Å; I254-L280 WeakPolarHBondContact CA-O 3.41Å; I254-T281 HydrophobicContact CB-CG2 4.47Å; I254-T281 HydrophobicContact CD1-CG2 4.45Å; I254-T281 HydrophobicContact CG1-CG2 3.95Å; I254-T281 HydrophobicContact CG2-CG2 4.17Å
255K82Confident83.5Confident56 Ų5682.1 Ų82.124%0.24341%0.411CS..EExtended strand (participates in β ladder)trans-129.8145.9177.9-170.8167.2174-169.20109.6Y218 L219 P257 S279 L280Y218-K255 HydrophobicContact CE2-CD 3.91Å; L219-K255 HydrophobicContact CD1-CD 4.08Å; K255-P257 VanDerWaalsContact C-CD 3.42Å; K255-P257 WeakPolarHBondContact O-CD 3.38Å; K255-S279 WeakPolarHBondContact O-CA 3.36Å; K255-L280 PolarHBondContact N-O 2.83Å; K255-L280 PolarHBondContact O-N 2.8Å
256L85.1Confident83.2Confident96 Ų9679.1 Ų79.150%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-107.581172.7-65.1168.3000108.1I258 I277 V278L256-I258 PolarHBondContact O-N 3.46Å; L256-I277 HydrophobicContact CD2-CG2 4.14Å; L256-V278 CarbonylContact C-O 3.51Å; L256-V278 VanDerWaalsContact CA-O 3.27Å; L256-V278 WeakPolarHBondContact CA-O 3.45Å
257P72.2Confident82.5Confident60 Ų6075.3 Ų75.339%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-62-22.6178.626-36.9000112.8K255 V278 L280K255-P257 VanDerWaalsContact C-CD 3.42Å; K255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-V278 WeakPolarHBondContact CD-O 3.39Å; P257-V278 HydrophobicContact CG-CB 4.17Å; P257-V278 HydrophobicContact CG-CG1 3.7Å; P257-L280 HydrophobicContact CG-CB 4.48Å
258I77.1Confident81.8Confident10 Ų1073.4 Ų73.45%0.05137%0.374CS..EExtended strand (participates in β ladder)trans-130.1125.5172-47.7-175.6000108.7T3 L256 Q260 H276 I277 V278T3-I258 HydrophobicContact CG2-CD1 3.25Å; T3-I258 HydrophobicContact CG2-CG1 3.61Å; L256-I258 PolarHBondContact O-N 3.46Å; I258-Q260 HydrophobicContact CG2-CB 4.28Å; I258-Q260 HydrophobicContact CG2-CG 3.92Å; I258-H276 VanDerWaalsContact CD1-CE1 3.4Å; I258-H276 WeakPolarHBondContact CD1-CE1 3.19Å; I258-H276 HydrophobicContact CG2-CB 4.42Å; I258-I277 WeakPolarHBondContact O-CA 3.03Å; I258-V278 HydrophobicContact CB-CB 3.75Å; I258-V278 HydrophobicContact CB-CG2 3.91Å; I258-V278 HydrophobicContact CD1-CB 4.04Å; I258-V278 HydrophobicContact CD1-CG2 3.5Å; I258-V278 HydrophobicContact CG1-CB 3.8Å; I258-V278 HydrophobicContact CG1-CG2 3.85Å; I258-V278 PolarHBondContact O-N 3.33Å
259D87.5Confident81.2Confident115 Ų11568.5 Ų68.562%0.61536%0.355SS*.EExtended strand (participates in β ladder)trans-144.890.3166.8-175.910.8000106.3
260Q83.8Confident80.9Confident67 Ų6766 Ų6631%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-128136.4-173.1-67.7-174.6-11.800110.3I258 D275 H276I258-Q260 HydrophobicContact CG2-CB 4.28Å; I258-Q260 HydrophobicContact CG2-CG 3.92Å; Q260-D275 WeakPolarHBondContact O-CA 3.43Å; Q260-H276 PolarHBondContact N-O 2.87Å; Q260-H276 PolarHBondContact O-N 2.81Å
261R88.4Confident81Confident161 Ų16163.3 Ų63.361%0.60833%0.325SS*.EExtended strand (participates in β ladder)trans-125.3123.1168.3171.4170.5-68.6172.6-2.9108.2Q273 L274 D275R261-Q273 HydrophobicContact CG-CG 4.38Å; R261-L274 CarbonylContact C-O 3.55Å; R261-L274 WeakPolarHBondContact CA-O 3.38Å; R261-D275 WeakPolarHBondContact CB-OD1 3.35Å; R261-D275 WeakPolarHBondContact CD-OD1 3.13Å; R261-D275 WeakPolarHBondContact CG-OD1 3.4Å; R261-D275 IonicContact CZ-OD1 3.54Å; R261-D275 IonicContact CZ-OD2 3.7Å; R261-D275 IonicContact NE-OD1 2.78Å; R261-D275 PolarHBondContact NE-OD1 2.74Å; R261-D275 IonicContact NE-OD2 3.87Å; R261-D275 IonicContact NH2-OD1 2.6Å; R261-D275 IonicContact NH2-OD2 2.87Å; R261-D275 PolarHBondContact NH2-OD2 2.81Å
262I83.7Confident81.2Confident40 Ų4062.6 Ų62.621%0.20532%0.322CS..EExtended strand (participates in β ladder)trans-112.2128.8171.5-59.6177.8000106.8Y7 L14 Q273 L274Y7-I262 HydrophobicContact CD2-CD1 4.37Å; Y7-I262 HydrophobicContact CE2-CD1 3.91Å; L14-I262 HydrophobicContact CD1-CG2 4.23Å; I262-Q273 CarbonylContact O-C 3.55Å; I262-Q273 WeakPolarHBondContact O-CA 3.13Å; I262-L274 HydrophobicContact CB-CB 4.36Å; I262-L274 HydrophobicContact CD1-CD2 4.3Å; I262-L274 PolarHBondContact N-O 2.9Å; I262-L274 PolarHBondContact O-N 2.97Å
263Q86.9Confident81.2Confident115 Ų11558 Ų5854%0.53730%0.3SS..EExtended strand (participates in β ladder)trans-129.2125.4175.6-175.4176.4-9.800108.2L271 I272Q263-L271 HydrophobicContact CG-CD1 3.74Å; Q263-L271 HydrophobicContact CG-CG 4.37Å; Q263-I272 CarbonylContact C-O 3.6Å; Q263-I272 VanDerWaalsContact CA-O 3.29Å; Q263-I272 WeakPolarHBondContact CA-O 3.44Å
264T81.2Confident81.5Confident27 Ų2757.4 Ų57.417%0.16630%0.298CS..EExtended strand (participates in β ladder)trans-136.4140.4177.1-171.90000109.9L14 Q18 I272L14-T264 HydrophobicContact CD2-CG2 4.3Å; Q18-T264 PolarHBondContact NE2-OG1 3.39Å; T264-I272 HydrophobicContact CG2-CB 3.86Å; T264-I272 HydrophobicContact CG2-CD1 4.28Å; T264-I272 HydrophobicContact CG2-CG1 4.22Å; T264-I272 PolarHBondContact N-O 3Å; T264-I272 PolarHBondContact O-N 2.81Å
265T81.7Confident81.7Confident99 Ų9952.3 Ų52.361%0.60727%0.272SS*.EExtended strand (participates in β ladder)trans-93141.2166.749.10000109W270 L271T265-W270 CarbonylContact C-O 3.59Å; T265-W270 WeakPolarHBondContact CA-O 3.33Å; T265-L271 HydrophobicContact CG2-CD1 3.47Å; T265-L271 VanDerWaalsContact CG2-CD1 3.47Å
266L75.5Confident81.9Confident12 Ų1250.2 Ų50.26%0.06326%0.263CS..  trans-96153.9169.4-62.2-179.2000109.1I17 I51 S268 G269 W270 I272I17-L266 HydrophobicContact CG2-CD2 4.28Å; I51-L266 HydrophobicContact CD1-CD1 3.61Å; L266-S268 WeakPolarHBondContact CB-OG 3.16Å; L266-S268 PolarHBondContact O-N 3.35Å; L266-G269 PolarHBondContact O-N 2.88Å; L266-G269 VanDerWaalsContact O-N 3.12Å; L266-W270 HydrophobicContact CB-CB 4.33Å; L266-W270 HydrophobicContact CD1-CB 4.08Å; L266-W270 HydrophobicContact CG-CB 4.5Å; L266-W270 PolarHBondContact N-O 2.69Å; L266-I272 HydrophobicContact CD1-CD1 3.86Å; L266-I272 HydrophobicContact CD1-CG1 4.22Å; L266-I272 HydrophobicContact CD2-CD1 4.23Å; L266-I272 HydrophobicContact CG-CD1 4.07Å; L266-I272 HydrophobicContact CG-CG1 4.24Å
267S72.4Confident82Confident68 Ų6848.7 Ų48.748%0.47626%0.255SS..THydrogen-bonded Turntrans-67.4-17.6173.733.10000113.2E21 Y25 G269E21-S267 WeakPolarHBondContact CG-OG 3.12Å; E21-S267 VanDerWaalsContact OE1-CA 3.27Å; E21-S267 WeakPolarHBondContact OE1-CA 3.34Å; E21-S267 WeakPolarHBondContact OE1-CB 3.18Å; E21-S267 PolarHBondContact OE1-N 3.05Å; E21-S267 PolarHBondContact OE1-OG 2.82Å; E21-S267 PolarHBondContact OE2-OG 3.45Å; Y25-S267 WeakPolarHBondContact CE2-OG 3.27Å; Y25-S267 VanDerWaalsContact OH-C 3.31Å; Y25-S267 PolarHBondContact OH-O 3.35Å; Y25-S267 VanDerWaalsContact OH-O 3.13Å; S267-G269 PolarHBondContact O-N 2.87Å
268S71.1Confident82.5Confident30 Ų3046.1 Ų46.121%0.2124%0.238CC..THydrogen-bonded Turntrans-66.4-4.1168.561.50000114.9E21 L266 W270E21-S268 PolarHBondContact OE1-N 2.7Å; L266-S268 WeakPolarHBondContact CB-OG 3.16Å; L266-S268 PolarHBondContact O-N 3.35Å; S268-W270 VanDerWaalsContact C-N 3.34Å
269G73.7Confident83Confident8 Ų847 Ų478%0.08225%0.245CC..SBendtrans88.7-0.2-177.500000114.2L266 S267 L318L266-G269 PolarHBondContact O-N 2.88Å; L266-G269 VanDerWaalsContact O-N 3.12Å; S267-G269 PolarHBondContact O-N 2.87Å; G269-L318 PolarHBondContact O-N 2.85Å; G269-L318 VanDerWaalsContact O-N 3.11Å
270W78.3Confident82.8Confident22 Ų2242.4 Ų42.48%0.08322%0.221CC..EExtended strand (participates in β ladder)trans-82.2136.4176.5-73.675.9000112I48 T265 L266 S268 L315 V316 E317 S329I48-W270 HydrophobicContact CD1-CH2 4.25Å; I48-W270 HydrophobicContact CD1-CZ2 3.51Å; I48-W270 HydrophobicContact CG1-CZ2 4.17Å; T265-W270 CarbonylContact C-O 3.59Å; T265-W270 WeakPolarHBondContact CA-O 3.33Å; L266-W270 HydrophobicContact CB-CB 4.33Å; L266-W270 HydrophobicContact CD1-CB 4.08Å; L266-W270 HydrophobicContact CG-CB 4.5Å; L266-W270 PolarHBondContact N-O 2.69Å; S268-W270 VanDerWaalsContact C-N 3.34Å; W270-L315 HydrophobicContact CE3-CB 4.08Å; W270-L315 HydrophobicContact CZ3-CB 4Å; W270-V316 CarbonylContact C-O 3.53Å; W270-E317 HydrophobicContact CD2-CB 3.89Å; W270-E317 HydrophobicContact CD2-CG 4.3Å; W270-E317 HydrophobicContact CE3-CB 4Å; W270-E317 HydrophobicContact CH2-CB 3.9Å; W270-E317 HydrophobicContact CZ2-CB 3.73Å; W270-E317 HydrophobicContact CZ2-CG 4.01Å; W270-E317 WeakPolarHBondContact CZ2-OE2 3.41Å; W270-E317 HydrophobicContact CZ3-CB 4.01Å; W270-S329 WeakPolarHBondContact CH2-OG 3.49Å; W270-S329 WeakPolarHBondContact CZ2-OG 3.26Å
271L83.6Confident82.9Confident27 Ų2741.8 Ų41.814%0.14122%0.222CC..EExtended strand (participates in β ladder)trans-100.9120.2168.3-178.375.2000109.2Q263 T265 L315 V316 L318Q263-L271 HydrophobicContact CG-CD1 3.74Å; Q263-L271 HydrophobicContact CG-CG 4.37Å; T265-L271 HydrophobicContact CG2-CD1 3.47Å; T265-L271 VanDerWaalsContact CG2-CD1 3.47Å; L271-L315 WeakPolarHBondContact O-CA 3.43Å; L271-V316 HydrophobicContact CB-CB 4.34Å; L271-V316 PolarHBondContact N-O 2.87Å; L271-V316 PolarHBondContact O-N 2.81Å; L271-L318 HydrophobicContact CB-CD1 4.22Å; L271-L318 HydrophobicContact CB-CG 4.45Å
272I85.4Confident82.7Confident14 Ų1434.7 Ų34.77%0.07220%0.196CC..EExtended strand (participates in β ladder)trans-100.4123.8171.4-45.8-171.7000108.3L14 Q263 T264 L266 H314 L315L14-I272 HydrophobicContact CD2-CD1 4.5Å; Q263-I272 CarbonylContact C-O 3.6Å; Q263-I272 VanDerWaalsContact CA-O 3.29Å; Q263-I272 WeakPolarHBondContact CA-O 3.44Å; T264-I272 HydrophobicContact CG2-CB 3.86Å; T264-I272 HydrophobicContact CG2-CD1 4.28Å; T264-I272 HydrophobicContact CG2-CG1 4.22Å; T264-I272 PolarHBondContact N-O 3Å; T264-I272 PolarHBondContact O-N 2.81Å; L266-I272 HydrophobicContact CD1-CD1 3.86Å; L266-I272 HydrophobicContact CD1-CG1 4.22Å; L266-I272 HydrophobicContact CD2-CD1 4.23Å; L266-I272 HydrophobicContact CG-CD1 4.07Å; L266-I272 HydrophobicContact CG-CG1 4.24Å; I272-H314 CarbonylContact C-O 3.59Å; I272-H314 WeakPolarHBondContact CA-O 3.35Å; I272-L315 HydrophobicContact CB-CD2 4.05Å; I272-L315 HydrophobicContact CD1-CD2 4.01Å; I272-L315 HydrophobicContact CG1-CD2 3.58Å; I272-L315 HydrophobicContact CG2-CD2 3.85Å
273Q88Confident82.9Confident39 Ų3937.3 Ų37.318%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-120.3121.7166.9176.1-173.9-37.700109.6R261 I262 D275 I313 H314R261-Q273 HydrophobicContact CG-CG 4.38Å; I262-Q273 CarbonylContact O-C 3.55Å; I262-Q273 WeakPolarHBondContact O-CA 3.13Å; Q273-D275 PolarHBondContact NE2-OD1 3.39Å; Q273-D275 PolarHBondContact NE2-OD2 2.87Å; Q273-I313 CarbonylContact O-C 3.57Å; Q273-I313 WeakPolarHBondContact O-CA 3.24Å; Q273-H314 HydrophobicContact CB-CB 4.23Å; Q273-H314 PolarHBondContact N-O 3.49Å; Q273-H314 PolarHBondContact O-N 3.36Å
274L88.1Confident82.8Confident16 Ų1631.9 Ų31.98%0.08418%0.178CC..EExtended strand (participates in β ladder)trans-111.1114.1174.317677000108.7L10 R261 I262 I311 K312 I313L10-L274 HydrophobicContact CD1-CD2 4.03Å; L10-L274 HydrophobicContact CD2-CD2 4.11Å; R261-L274 CarbonylContact C-O 3.55Å; R261-L274 WeakPolarHBondContact CA-O 3.38Å; I262-L274 HydrophobicContact CB-CB 4.36Å; I262-L274 HydrophobicContact CD1-CD2 4.3Å; I262-L274 PolarHBondContact N-O 2.9Å; I262-L274 PolarHBondContact O-N 2.97Å; L274-I311 HydrophobicContact CD1-CG2 3.76Å; L274-K312 CarbonylContact C-O 3.59Å; L274-K312 WeakPolarHBondContact CA-O 3.47Å; L274-I313 HydrophobicContact CD1-CD1 4.2Å; L274-I313 HydrophobicContact CD1-CG1 3.48Å; L274-I313 VanDerWaalsContact CD1-CG1 3.48Å
275D89.2Confident83.1Confident17 Ų1730.8 Ų30.89%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-102.6123.5170.2-65.2-20.4000108.9Q260 R261 Q273 I311 K312Q260-D275 WeakPolarHBondContact O-CA 3.43Å; R261-D275 WeakPolarHBondContact CB-OD1 3.35Å; R261-D275 WeakPolarHBondContact CD-OD1 3.13Å; R261-D275 WeakPolarHBondContact CG-OD1 3.4Å; R261-D275 IonicContact CZ-OD1 3.54Å; R261-D275 IonicContact CZ-OD2 3.7Å; R261-D275 IonicContact NE-OD1 2.78Å; R261-D275 PolarHBondContact NE-OD1 2.74Å; R261-D275 IonicContact NE-OD2 3.87Å; R261-D275 IonicContact NH2-OD1 2.6Å; R261-D275 IonicContact NH2-OD2 2.87Å; R261-D275 PolarHBondContact NH2-OD2 2.81Å; Q273-D275 PolarHBondContact NE2-OD1 3.39Å; Q273-D275 PolarHBondContact NE2-OD2 2.87Å; D275-I311 CarbonylContact O-C 3.59Å; D275-I311 WeakPolarHBondContact O-CA 3.36Å; D275-K312 HydrophobicContact CB-CB 4.25Å; D275-K312 PolarHBondContact N-O 2.85Å; D275-K312 PolarHBondContact O-N 3.38Å
276H87.1Confident83.3Confident11 Ų1128.5 Ų28.55%0.05116%0.155CC..EExtended strand (participates in β ladder)trans-124.7115.2176.8-176.8-161.8000109.6I258 Q260 N309 D310I258-H276 VanDerWaalsContact CD1-CE1 3.4Å; I258-H276 WeakPolarHBondContact CD1-CE1 3.19Å; I258-H276 HydrophobicContact CG2-CB 4.42Å; Q260-H276 PolarHBondContact N-O 2.87Å; Q260-H276 PolarHBondContact O-N 2.81Å; H276-N309 PolarHBondContact CD2-OD1 2.83Å; H276-N309 PolarHBondContact NE2-OD1 2.85Å; H276-D310 WeakPolarHBondContact CA-O 3.26Å
277I87.1Confident83.8Confident64 Ų6428.4 Ų28.433%0.32816%0.156SC..EExtended strand (participates in β ladder)trans-123.1130.6179.7-61.1174.9000108.4L256 I258 D310L256-I277 HydrophobicContact CD2-CG2 4.14Å; I258-I277 WeakPolarHBondContact O-CA 3.03Å; I277-D310 PolarHBondContact N-O 2.86Å; I277-D310 PolarHBondContact O-N 3.33Å
278V83.8Confident84.4Confident6 Ų627.3 Ų27.34%0.03614%0.144CC..EExtended strand (participates in β ladder)trans-122.9128.5167.7175.20000108.7L256 P257 I258 F307 V308 N309L256-V278 CarbonylContact C-O 3.51Å; L256-V278 VanDerWaalsContact CA-O 3.27Å; L256-V278 WeakPolarHBondContact CA-O 3.45Å; P257-V278 WeakPolarHBondContact CD-O 3.39Å; P257-V278 HydrophobicContact CG-CB 4.17Å; P257-V278 HydrophobicContact CG-CG1 3.7Å; I258-V278 HydrophobicContact CB-CB 3.75Å; I258-V278 HydrophobicContact CB-CG2 3.91Å; I258-V278 HydrophobicContact CD1-CB 4.04Å; I258-V278 HydrophobicContact CD1-CG2 3.5Å; I258-V278 HydrophobicContact CG1-CB 3.8Å; I258-V278 HydrophobicContact CG1-CG2 3.85Å; I258-V278 PolarHBondContact O-N 3.33Å; V278-F307 HydrophobicContact CG1-CD2 3.99Å; V278-F307 HydrophobicContact CG1-CE2 3.26Å; V278-F307 HydrophobicContact CG1-CZ 3.71Å; V278-F307 HydrophobicContact CG2-CZ 4.48Å; V278-V308 CarbonylContact C-O 3.58Å; V278-V308 WeakPolarHBondContact CA-O 3.4Å; V278-N309 HydrophobicContact CG2-CB 4.01Å; V278-N309 VanDerWaalsContact CG2-OD1 3.27Å; V278-N309 WeakPolarHBondContact CG2-OD1 3.34Å
279S85.8Confident85Confident28 Ų2830.7 Ų30.720%0.19616%0.157CC..EExtended strand (participates in β ladder)trans-114.3140.1171.976.50000110.9K255 F307 V308K255-S279 WeakPolarHBondContact O-CA 3.36Å; S279-F307 CarbonylContact O-C 3.53Å; S279-F307 WeakPolarHBondContact O-CA 3.49Å; S279-V308 PolarHBondContact N-O 3.31Å; S279-V308 PolarHBondContact O-N 2.85Å; S279-V308 WeakPolarHBondContact OG-CB 3.39Å
280L83.6Confident85.2Confident20 Ų2033.3 Ų33.311%0.10517%0.171CC..EExtended strand (participates in β ladder)trans-125.4126.3175.4177.869000108L219 I254 K255 P257 I282 I305 G306L219-L280 HydrophobicContact CD1-CD2 3.6Å; L219-L280 HydrophobicContact CG-CD2 4.3Å; I254-L280 CarbonylContact C-O 3.58Å; I254-L280 WeakPolarHBondContact CA-O 3.41Å; K255-L280 PolarHBondContact N-O 2.83Å; K255-L280 PolarHBondContact O-N 2.8Å; P257-L280 HydrophobicContact CG-CB 4.48Å; L280-I282 HydrophobicContact CD1-CD1 4.42Å; L280-I282 HydrophobicContact CD1-CG1 4.28Å; L280-I282 HydrophobicContact CD2-CD1 3.86Å; L280-I282 HydrophobicContact CD2-CG1 4.39Å; L280-I282 HydrophobicContact CG-CD1 4.16Å; L280-I282 HydrophobicContact CG-CG1 4.14Å; L280-I305 HydrophobicContact CD1-CG2 3.91Å; L280-G306 CarbonylContact C-O 3.6Å; L280-G306 WeakPolarHBondContact CA-O 2.99Å
281T86.9Confident85.1Confident54 Ų5434.1 Ų34.133%0.33118%0.18SC..EExtended strand (participates in β ladder)trans-115.2131.3172.469.60000108.2F253 I254 I305 G306F253-T281 WeakPolarHBondContact O-CA 3.3Å; I254-T281 HydrophobicContact CB-CG2 4.47Å; I254-T281 HydrophobicContact CD1-CG2 4.45Å; I254-T281 HydrophobicContact CG1-CG2 3.95Å; I254-T281 HydrophobicContact CG2-CG2 4.17Å; T281-I305 WeakPolarHBondContact O-CA 3.26Å; T281-G306 PolarHBondContact N-O 3.24Å; T281-G306 PolarHBondContact O-N 3.49Å; T281-G306 VanDerWaalsContact OG1-CA 3.22Å; T281-G306 WeakPolarHBondContact OG1-CA 3.46Å; T281-G306 PolarHBondContact OG1-N 2.76Å; T281-G306 PolarHBondContact OG1-O 2.89Å
282I83.9Confident84.7Confident12 Ų1238 Ų386%0.06220%0.2CC..EExtended strand (participates in β ladder)trans-129.2129.1175.5-66.8175.3000107.7Q252 F253 L280 I284 T303 E304Q252-I282 WeakPolarHBondContact CA-O 3.34Å; F253-I282 HydrophobicContact CD1-CB 4.3Å; F253-I282 HydrophobicContact CD2-CB 4.31Å; F253-I282 HydrophobicContact CE1-CB 3.72Å; F253-I282 HydrophobicContact CE1-CD1 4.46Å; F253-I282 HydrophobicContact CE1-CG2 3.76Å; F253-I282 HydrophobicContact CE2-CB 3.74Å; F253-I282 HydrophobicContact CE2-CD1 3.67Å; F253-I282 HydrophobicContact CE2-CG1 3.96Å; F253-I282 HydrophobicContact CZ-CB 3.43Å; F253-I282 VanDerWaalsContact CZ-CB 3.43Å; F253-I282 HydrophobicContact CZ-CD1 3.43Å; F253-I282 VanDerWaalsContact CZ-CD1 3.43Å; F253-I282 HydrophobicContact CZ-CG1 3.87Å; F253-I282 HydrophobicContact CZ-CG2 3.78Å; F253-I282 PolarHBondContact N-O 3.34Å; F253-I282 PolarHBondContact O-N 3.49Å; L280-I282 HydrophobicContact CD1-CD1 4.42Å; L280-I282 HydrophobicContact CD1-CG1 4.28Å; L280-I282 HydrophobicContact CD2-CD1 3.86Å; L280-I282 HydrophobicContact CD2-CG1 4.39Å; L280-I282 HydrophobicContact CG-CD1 4.16Å; L280-I282 HydrophobicContact CG-CG1 4.14Å; I282-I284 HydrophobicContact CG2-CD1 4.46Å; I282-I284 HydrophobicContact CG2-CG1 3.99Å; I282-T303 HydrophobicContact CG2-CG2 4.37Å; I282-E304 WeakPolarHBondContact CA-O 3.36Å
283R87Confident84.1Confident95 Ų9549 Ų4936%0.35824%0.241SC..EExtended strand (participates in β ladder)trans-128.5117.9172.9-177.3173.175.9166.15.4109.2P249 I251 Q252 E304P249-R283 HydrophobicContact CB-CG 4.08Å; I251-R283 CarbonylContact O-C 3.42Å; I251-R283 WeakPolarHBondContact O-CA 3.31Å; Q252-R283 HydrophobicContact CB-CG 4.48Å; Q252-R283 HydrophobicContact CG-CB 4.47Å; R283-E304 HydrophobicContact CB-CB 4.27Å; R283-E304 IonicContact CZ-OE1 3.61Å; R283-E304 IonicContact CZ-OE2 3.14Å; R283-E304 PolarHBondContact N-O 2.86Å; R283-E304 IonicContact NE-OE1 3.53Å; R283-E304 IonicContact NE-OE2 3.18Å; R283-E304 PolarHBondContact NE-OE2 3.35Å; R283-E304 IonicContact NH2-OE1 3.55Å; R283-E304 PolarHBondContact NH2-OE1 3.47Å; R283-E304 IonicContact NH2-OE2 3.82Å; R283-E304 PolarHBondContact NH2-OE2 3.36Å; R283-E304 PolarHBondContact O-N 3.45Å
284I84.8Confident83.6Confident1 Ų155.9 Ų55.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-106.2122.7176.1-43.9-179.6000108.7L171 L216 P249 F250 I251 I282 V301 R302 T303L171-I284 HydrophobicContact CD1-CD1 4.5Å; L216-I284 HydrophobicContact CD1-CD1 3.37Å; P249-I284 WeakPolarHBondContact CA-O 3.38Å; F250-I284 WeakPolarHBondContact CD1-O 3.43Å; F250-I284 HydrophobicContact CE1-CB 4.15Å; F250-I284 HydrophobicContact CE1-CG2 3.61Å; F250-I284 HydrophobicContact CE2-CB 4.2Å; F250-I284 HydrophobicContact CE2-CG2 4.03Å; F250-I284 HydrophobicContact CZ-CB 3.82Å; F250-I284 HydrophobicContact CZ-CG2 3.23Å; F250-I284 PolarHBondContact N-O 2.77Å; I251-I284 HydrophobicContact CB-CB 4.24Å; I251-I284 HydrophobicContact CB-CD1 4.46Å; I251-I284 HydrophobicContact CB-CG1 4.36Å; I251-I284 HydrophobicContact CD1-CD1 4.49Å; I251-I284 HydrophobicContact CG2-CD1 4.4Å; I251-I284 HydrophobicContact CG2-CG1 4.44Å; I251-I284 PolarHBondContact N-O 3.43Å; I251-I284 PolarHBondContact O-N 3.26Å; I282-I284 HydrophobicContact CG2-CD1 4.46Å; I282-I284 HydrophobicContact CG2-CG1 3.99Å; I284-V301 HydrophobicContact CG2-CG1 3.72Å; I284-R302 CarbonylContact C-O 3.6Å; I284-R302 WeakPolarHBondContact CA-O 3.16Å; I284-T303 HydrophobicContact CG1-CG2 4.39Å
285S88.6Confident82.9Confident3 Ų358.5 Ų58.52%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-125.3147.3-177.9-52.20000110.8K248 P249 V301 R302K248-S285 VanDerWaalsContact O-CA 3.27Å; K248-S285 WeakPolarHBondContact O-CA 3.28Å; P249-S285 WeakPolarHBondContact CA-OG 3.13Å; S285-V301 CarbonylContact O-C 3.49Å; S285-V301 WeakPolarHBondContact O-CA 3.39Å; S285-R302 PolarHBondContact N-O 3.48Å; S285-R302 PolarHBondContact O-N 2.88Å
286N84.9Confident82.4Confident52 Ų5260 Ų6028%0.27829%0.289SS..EExtended strand (participates in β ladder)trans-119.4138.6176.9-172.3-68.2000110.3F247 K248 F250 N299 N300F247-N286 WeakPolarHBondContact CA-O 3.27Å; K248-N286 PolarHBondContact N-O 3.37Å; K248-N286 PolarHBondContact O-N 3.29Å; F250-N286 HydrophobicContact CD1-CB 4.05Å; F250-N286 HydrophobicContact CE1-CB 3.89Å; N286-N299 PolarHBondContact ND2-OD1 2.85Å; N286-N299 PolarHBondContact OD1-OD1 2.9Å; N286-N300 CarbonylContact C-O 3.6Å; N286-N300 WeakPolarHBondContact CA-O 3.28Å
287A86.9Confident82Confident9 Ų960.3 Ų60.37%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-124.9130.8164.100000109.1F247 N300F247-A287 HydrophobicContact CD1-CB 3.75Å; F247-A287 HydrophobicContact CE1-CB 3.96Å; F247-A287 HydrophobicContact CG-CB 4.08Å; F247-A287 HydrophobicContact CZ-CB 4.48Å; A287-N300 HydrophobicContact CB-CB 4.47Å; A287-N300 PolarHBondContact N-O 3.44Å; A287-N300 PolarHBondContact O-N 2.88Å
288L84.5Confident81.8Confident45 Ų4560.2 Ų60.224%0.23629%0.291CS..EExtended strand (participates in β ladder)trans-124.9124.4-179-175.772.5000109.8L240 T244 S245 T290 N299L240-L288 HydrophobicContact CD2-CD2 4.03Å; T244-L288 CarbonylContact C-O 3.58Å; T244-L288 VanDerWaalsContact C-O 3.25Å; T244-L288 PolarHBondContact O-N 2.71Å; S245-L288 PolarHBondContact N-O 3.47Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; L288-T290 HydrophobicContact CD2-CG2 4.05Å; L288-T290 HydrophobicContact CG-CG2 3.9Å; L288-N299 HydrophobicContact CD1-CB 3.9Å
289E83.3Confident81.8Confident102 Ų10262 Ų6248%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-115.6116.4173.4-66.6-176.9173.400108.6S245 G297 R298S245-E289 WeakPolarHBondContact CB-OE1 3.4Å; E289-G297 CarbonylContact O-C 3.53Å; E289-G297 VanDerWaalsContact O-CA 3.32Å; E289-G297 WeakPolarHBondContact O-CA 3.22Å; E289-R298 HydrophobicContact CB-CB 4.29Å; E289-R298 PolarHBondContact N-O 2.88Å; E289-R298 PolarHBondContact O-N 2.84Å
290T78.7Confident81.8Confident63 Ų6361.6 Ų61.639%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-121.8142.7174.963.20000110.9L240 L288L240-T290 HydrophobicContact CD2-CG2 3.84Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; L288-T290 HydrophobicContact CD2-CG2 4.05Å; L288-T290 HydrophobicContact CG-CG2 3.9Å
291S77.2Confident81.8Confident38 Ų3861.7 Ų61.727%0.26630%0.297SS..EExtended strand (participates in β ladder)trans-130.9102.7174.2-175.10000109.1W293 R294 L295 T296S291-W293 VanDerWaalsContact C-N 3.29Å; S291-W293 PolarHBondContact O-N 2.85Å; S291-R294 PolarHBondContact O-N 3.16Å; S291-R294 PolarHBondContact OG-N 2.79Å; S291-L295 WeakPolarHBondContact O-CA 3.21Å; S291-L295 PolarHBondContact O-N 3.36Å; S291-T296 PolarHBondContact N-O 2.82Å; S291-T296 PolarHBondContact O-N 2.76Å; S291-T296 VanDerWaalsContact O-N 3.14Å
292I73.2Confident81.8Confident109 Ų10961.4 Ų61.456%0.55929%0.29SS*.THydrogen-bonded Turntrans-59-43.3177.1-61172.6000110.2M237 R294 L295M237-I292 HydrophobicContact CE-CD1 4.49Å; I292-R294 PolarHBondContact O-N 3.46Å; I292-L295 WeakPolarHBondContact O-CD2 3.39Å; I292-L295 PolarHBondContact O-N 2.75Å
293W74Confident81.8Confident245 Ų24561.6 Ų61.693%0.92829%0.292SS*.THydrogen-bonded Turntrans-64.1-39.3-179.6-63.5109000113.8S291 L295S291-W293 VanDerWaalsContact C-N 3.29Å; S291-W293 PolarHBondContact O-N 2.85Å; W293-L295 VanDerWaalsContact C-N 3.31Å
294R76.7Confident81.8Confident183 Ų18359 Ų5969%0.69128%0.284SS*.THydrogen-bonded Turntrans-83.7-13.2178-65.6-178.7178.2178.40.3112.2S291 I292 T296 K352S291-R294 PolarHBondContact O-N 3.16Å; S291-R294 PolarHBondContact OG-N 2.79Å; I292-R294 PolarHBondContact O-N 3.46Å; R294-T296 HydrophobicContact CB-CG2 4.07Å; R294-T296 WeakPolarHBondContact CB-OG1 3.37Å; R294-K352 WeakPolarHBondContact O-CE 3.33Å
295L74.6Confident81.8Confident71 Ų7162 Ų6237%0.37230%0.299SS..THydrogen-bonded Turntrans56.641.9-171-63.7173.8000111.2S291 I292 W293 I351 K352S291-L295 WeakPolarHBondContact O-CA 3.21Å; S291-L295 PolarHBondContact O-N 3.36Å; I292-L295 WeakPolarHBondContact O-CD2 3.39Å; I292-L295 PolarHBondContact O-N 2.75Å; W293-L295 VanDerWaalsContact C-N 3.31Å; L295-I351 HydrophobicContact CB-CB 4.17Å; L295-I351 WeakPolarHBondContact O-CB 3.4Å; L295-I351 PolarHBondContact O-N 2.86Å; L295-K352 HydrophobicContact CB-CG 4.14Å; L295-K352 HydrophobicContact CD1-CG 3.97Å
296T77.5Confident81.6Confident49 Ų4962.3 Ų62.330%0.30130%0.302SS..EExtended strand (participates in β ladder)trans-126.3147.2-178.158.50000111.1S291 R294 I349 N350S291-T296 PolarHBondContact N-O 2.82Å; S291-T296 PolarHBondContact O-N 2.76Å; S291-T296 VanDerWaalsContact O-N 3.14Å; R294-T296 HydrophobicContact CB-CG2 4.07Å; R294-T296 WeakPolarHBondContact CB-OG1 3.37Å; T296-I349 CarbonylContact C-O 3.51Å; T296-I349 VanDerWaalsContact CA-O 3.23Å; T296-I349 WeakPolarHBondContact CA-O 3.39Å; T296-N350 HydrophobicContact CG2-CB 4.18Å
297G78.5Confident81.6Confident18 Ų1863 Ų6319%0.18630%0.303CS..EExtended strand (participates in β ladder)trans-135.4146.717100000110.5E289 I349E289-G297 CarbonylContact O-C 3.53Å; E289-G297 VanDerWaalsContact O-CA 3.32Å; E289-G297 WeakPolarHBondContact O-CA 3.22Å; G297-I349 PolarHBondContact N-O 2.76Å; G297-I349 PolarHBondContact O-N 2.76Å
298R83.7Confident81.6Confident62 Ų6264.9 Ų64.923%0.23431%0.313CS..EExtended strand (participates in β ladder)trans-131.5120.1171.1174.1176.7-171.3103.9-6.9108E289 I346 T347 D348E289-R298 HydrophobicContact CB-CB 4.29Å; E289-R298 PolarHBondContact N-O 2.88Å; E289-R298 PolarHBondContact O-N 2.84Å; R298-I346 HydrophobicContact CG-CG2 4.34Å; R298-T347 CarbonylContact C-O 3.59Å; R298-T347 WeakPolarHBondContact CA-O 3.38Å; R298-D348 WeakPolarHBondContact CB-OD1 3.47Å; R298-D348 WeakPolarHBondContact CD-OD1 3.37Å; R298-D348 WeakPolarHBondContact CG-OD1 3.2Å; R298-D348 IonicContact CZ-OD1 2.62Å; R298-D348 IonicContact NE-OD1 2.95Å; R298-D348 VanDerWaalsContact NH1-CG 3.32Å; R298-D348 IonicContact NH1-OD1 2.78Å; R298-D348 PolarHBondContact NH1-OD1 2.78Å; R298-D348 IonicContact NH1-OD2 3.42Å; R298-D348 PolarHBondContact NH1-OD2 3.03Å
299N82.9Confident81.6Confident43 Ų4363.3 Ų63.323%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-107.3134.4172.1178.934.1000108.3N286 L288 I346 T347N286-N299 PolarHBondContact ND2-OD1 2.85Å; N286-N299 PolarHBondContact OD1-OD1 2.9Å; L288-N299 HydrophobicContact CD1-CB 3.9Å; N299-I346 CarbonylContact O-C 3.57Å; N299-I346 WeakPolarHBondContact O-CA 3.32Å; N299-T347 PolarHBondContact N-O 2.63Å; N299-T347 PolarHBondContact O-N 3.42Å
300N85.9Confident81.8Confident20 Ų2059.7 Ų59.711%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-128111.4173.2-170.4-7.7000109.3F247 N286 A287 D344F247-N300 HydrophobicContact CE1-CB 4.11Å; F247-N300 WeakPolarHBondContact CE1-O 3.37Å; F247-N300 HydrophobicContact CZ-CB 4.24Å; F247-N300 VanDerWaalsContact CZ-ND2 3.34Å; F247-N300 WeakPolarHBondContact CZ-ND2 3.32Å; N286-N300 CarbonylContact C-O 3.6Å; N286-N300 WeakPolarHBondContact CA-O 3.28Å; A287-N300 HydrophobicContact CB-CB 4.47Å; A287-N300 PolarHBondContact N-O 3.44Å; A287-N300 PolarHBondContact O-N 2.88Å; N300-D344 PolarHBondContact ND2-OD2 2.82Å
301V84.2Confident82.2Confident22 Ų2257.1 Ų57.113%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-99.1111.9172.9-179.40000107.9I284 S285 F345I284-V301 HydrophobicContact CG2-CG1 3.72Å; S285-V301 CarbonylContact O-C 3.49Å; S285-V301 WeakPolarHBondContact O-CA 3.39Å; V301-F345 HydrophobicContact CB-CB 4.45Å; V301-F345 PolarHBondContact N-O 2.88Å; V301-F345 PolarHBondContact O-N 2.85Å
302R87.2Confident82.8Confident47 Ų4758.2 Ų58.218%0.17727%0.273CS..EExtended strand (participates in β ladder)trans-98.1121.1176.7176.9168-66.6-175.8-2.5110.1F247 I284 S285 E304 Y342 D344F247-R302 HydrophobicContact CD1-CB 3.99Å; F247-R302 HydrophobicContact CE1-CB 3.47Å; F247-R302 VanDerWaalsContact CE1-CB 3.47Å; F247-R302 HydrophobicContact CZ-CB 3.92Å; I284-R302 CarbonylContact C-O 3.6Å; I284-R302 WeakPolarHBondContact CA-O 3.16Å; S285-R302 PolarHBondContact N-O 3.48Å; S285-R302 PolarHBondContact O-N 2.88Å; R302-E304 HydrophobicContact CG-CG 3.72Å; R302-Y342 HydrophobicContact CG-CD2 4.07Å; R302-Y342 HydrophobicContact CG-CG 4.31Å; R302-Y342 VanDerWaalsContact CZ-CE2 3.47Å; R302-Y342 VanDerWaalsContact NH2-CE2 3.31Å; R302-D344 VanDerWaalsContact CB-OD1 3.26Å; R302-D344 WeakPolarHBondContact CB-OD1 3.48Å; R302-D344 VanDerWaalsContact CG-OD1 3.25Å; R302-D344 WeakPolarHBondContact CG-OD1 3.36Å; R302-D344 IonicContact CZ-OD1 3.77Å; R302-D344 IonicContact CZ-OD2 2.67Å; R302-D344 IonicContact NE-OD1 2.79Å; R302-D344 PolarHBondContact NE-OD1 3.38Å; R302-D344 IonicContact NE-OD2 2.68Å; R302-D344 IonicContact NH2-OD1 2.62Å; R302-D344 PolarHBondContact NH2-OD1 2.8Å; R302-D344 IonicContact NH2-OD2 3.67Å; R302-D344 PolarHBondContact NH2-OD2 2.87Å
303T83.4Confident83.5Confident17 Ų1753.6 Ų53.610%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-103.3108169.4-57.70000108.5L171 I282 I284 I305 Y342 I343L171-T303 HydrophobicContact CD2-CG2 4.33Å; I282-T303 HydrophobicContact CG2-CG2 4.37Å; I284-T303 HydrophobicContact CG1-CG2 4.39Å; T303-I305 HydrophobicContact CG2-CD1 4.29Å; T303-I305 HydrophobicContact CG2-CG1 4.03Å; T303-Y342 CarbonylContact O-C 3.57Å; T303-Y342 WeakPolarHBondContact O-CA 3.46Å; T303-I343 PolarHBondContact N-O 3.16Å; T303-I343 PolarHBondContact O-N 3.33Å
304E88.3Confident84.2Confident41 Ų4144 Ų4419%0.19222%0.215CC..EExtended strand (participates in β ladder)trans-94.3132.7174-49.6-175.6165.600109.6I282 R283 R302 G341I282-E304 WeakPolarHBondContact CA-O 3.36Å; R283-E304 HydrophobicContact CB-CB 4.27Å; R283-E304 IonicContact CZ-OE1 3.61Å; R283-E304 IonicContact CZ-OE2 3.14Å; R283-E304 PolarHBondContact N-O 2.86Å; R283-E304 IonicContact NE-OE1 3.53Å; R283-E304 IonicContact NE-OE2 3.18Å; R283-E304 PolarHBondContact NE-OE2 3.35Å; R283-E304 IonicContact NH2-OE1 3.55Å; R283-E304 PolarHBondContact NH2-OE1 3.47Å; R283-E304 IonicContact NH2-OE2 3.82Å; R283-E304 PolarHBondContact NH2-OE2 3.36Å; R283-E304 PolarHBondContact O-N 3.45Å; R302-E304 HydrophobicContact CG-CG 3.72Å; E304-G341 WeakPolarHBondContact CA-O 3.48Å
305I83.8Confident84.6Confident64 Ų6435.7 Ų35.733%0.32818%0.184SC..EExtended strand (participates in β ladder)trans-125.5124.6-176.5-56.1173.9000107.5L280 T281 T303 Q340 G341L280-I305 HydrophobicContact CD1-CG2 3.91Å; T281-I305 WeakPolarHBondContact O-CA 3.26Å; T303-I305 HydrophobicContact CG2-CD1 4.29Å; T303-I305 HydrophobicContact CG2-CG1 4.03Å; I305-Q340 WeakPolarHBondContact O-CA 3.47Å; I305-G341 PolarHBondContact N-O 2.87Å; I305-G341 PolarHBondContact O-N 2.64Å
306G84.8Confident85.1Confident9 Ų933.5 Ų33.59%0.09317%0.174CC..EExtended strand (participates in β ladder)trans-114.2133.8165.300000109.4L280 T281 I339L280-G306 CarbonylContact C-O 3.6Å; L280-G306 WeakPolarHBondContact CA-O 2.99Å; T281-G306 PolarHBondContact N-O 3.24Å; T281-G306 PolarHBondContact O-N 3.49Å; T281-G306 VanDerWaalsContact OG1-CA 3.22Å; T281-G306 WeakPolarHBondContact OG1-CA 3.46Å; T281-G306 PolarHBondContact OG1-N 2.76Å; T281-G306 PolarHBondContact OG1-O 2.89Å; G306-I339 CarbonylContact C-O 3.56Å; G306-I339 WeakPolarHBondContact CA-O 3.45Å
307F85Confident85.2Confident65 Ų6533.1 Ų33.129%0.28517%0.168SC..EExtended strand (participates in β ladder)trans-130.1132.9176.8175.2-92.9000107.9V278 S279 N309 A338 I339V278-F307 HydrophobicContact CG1-CD2 3.99Å; V278-F307 HydrophobicContact CG1-CE2 3.26Å; V278-F307 HydrophobicContact CG1-CZ 3.71Å; V278-F307 HydrophobicContact CG2-CZ 4.48Å; S279-F307 CarbonylContact O-C 3.53Å; S279-F307 WeakPolarHBondContact O-CA 3.49Å; F307-N309 HydrophobicContact CE1-CB 3.53Å; F307-N309 HydrophobicContact CZ-CB 3.8Å; F307-A338 CarbonylContact O-C 3.58Å; F307-A338 WeakPolarHBondContact O-CA 3.33Å; F307-I339 HydrophobicContact CB-CB 4.45Å; F307-I339 PolarHBondContact N-O 2.82Å; F307-I339 PolarHBondContact O-N 2.78Å
308V85.7Confident84.8Confident49 Ų4933.9 Ų33.930%0.29717%0.168SC..EExtended strand (participates in β ladder)trans-131127.5170.7176.30000107.7V278 S279 N337 A338 W373V278-V308 CarbonylContact C-O 3.58Å; V278-V308 WeakPolarHBondContact CA-O 3.4Å; S279-V308 PolarHBondContact N-O 3.31Å; S279-V308 PolarHBondContact O-N 2.85Å; S279-V308 WeakPolarHBondContact OG-CB 3.39Å; V308-N337 CarbonylContact C-O 3.55Å; V308-N337 WeakPolarHBondContact CA-O 3.4Å; V308-A338 HydrophobicContact CG2-CB 3.92Å; V308-W373 HydrophobicContact CG1-CH2 3.82Å; V308-W373 HydrophobicContact CG1-CZ2 4.16Å
309N86Confident84Confident13 Ų1332 Ų327%0.0716%0.163CC..EExtended strand (participates in β ladder)trans-115.7123.2170.1171.251.5000108.1H276 V278 F307 G336 N337H276-N309 PolarHBondContact CD2-OD1 2.83Å; H276-N309 PolarHBondContact NE2-OD1 2.85Å; V278-N309 HydrophobicContact CG2-CB 4.01Å; V278-N309 VanDerWaalsContact CG2-OD1 3.27Å; V278-N309 WeakPolarHBondContact CG2-OD1 3.34Å; F307-N309 HydrophobicContact CE1-CB 3.53Å; F307-N309 HydrophobicContact CZ-CB 3.8Å; N309-G336 CarbonylContact O-C 3.54Å; N309-G336 WeakPolarHBondContact O-CA 3.36Å; N309-N337 WeakPolarHBondContact CB-OD1 3.4Å; N309-N337 PolarHBondContact N-O 2.89Å; N309-N337 PolarHBondContact ND2-OD1 2.9Å; N309-N337 PolarHBondContact O-N 2.93Å
310D87.2Confident83Confident26 Ų2636.9 Ų36.914%0.13918%0.184CC..EExtended strand (participates in β ladder)trans-130.1124.1-175.7-159.430.7000110H276 I277 K312 H334 W373H276-D310 WeakPolarHBondContact CA-O 3.26Å; I277-D310 PolarHBondContact N-O 2.86Å; I277-D310 PolarHBondContact O-N 3.33Å; D310-K312 WeakPolarHBondContact OD2-CE 3.49Å; D310-K312 IonicContact OD2-NZ 2.94Å; D310-H334 VanDerWaalsContact CG-NE2 3.28Å; D310-H334 IonicContact OD1-CD2 3.62Å; D310-H334 PolarHBondContact OD1-CD2 2.79Å; D310-H334 IonicContact OD1-CE1 2.86Å; D310-H334 IonicContact OD1-NE2 2.71Å; D310-H334 PolarHBondContact OD1-NE2 2.78Å; D310-H334 IonicContact OD2-NE2 3.11Å; D310-H334 PolarHBondContact OD2-NE2 3.16Å; D310-W373 PolarHBondContact OD1-NE1 2.78Å
311I86.6Confident81.6Confident9 Ų943.2 Ų43.25%0.04622%0.218CC..EExtended strand (participates in β ladder)trans-124.3123.8-179.2-59.7174000107.9Y58 M62 L274 D275 I313 H334 K335Y58-I311 HydrophobicContact CE1-CD1 4.48Å; M62-I311 HydrophobicContact CE-CD1 3.73Å; L274-I311 HydrophobicContact CD1-CG2 3.76Å; D275-I311 CarbonylContact O-C 3.59Å; D275-I311 WeakPolarHBondContact O-CA 3.36Å; I311-I313 HydrophobicContact CG2-CG1 4.38Å; I311-H334 WeakPolarHBondContact O-CA 3.32Å; I311-K335 WeakPolarHBondContact CA-O 3.5Å; I311-K335 PolarHBondContact N-O 3.47Å; I311-K335 PolarHBondContact O-N 2.99Å; I311-K335 VanDerWaalsContact O-O 3.08Å
312K90Very high79.9Confident60 Ų6046.5 Ų46.526%0.26123%0.232SC..EExtended strand (participates in β ladder)trans-121.8130.4174.6-62.9171.9-174.7169.30109.2L274 D275 D310 Y332 I333 H334L274-K312 CarbonylContact C-O 3.59Å; L274-K312 WeakPolarHBondContact CA-O 3.47Å; D275-K312 HydrophobicContact CB-CB 4.25Å; D275-K312 PolarHBondContact N-O 2.85Å; D275-K312 PolarHBondContact O-N 3.38Å; D310-K312 WeakPolarHBondContact OD2-CE 3.49Å; D310-K312 IonicContact OD2-NZ 2.94Å; K312-Y332 HydrophobicContact CB-CE2 4.14Å; K312-Y332 HydrophobicContact CD-CE2 4.37Å; K312-Y332 HydrophobicContact CG-CE2 4.21Å; K312-I333 CarbonylContact C-O 3.55Å; K312-I333 WeakPolarHBondContact CA-O 3.36Å; K312-H334 WeakPolarHBondContact CE-NE2 3.5Å; K312-H334 HydrophobicContact CG-CB 4.35Å; K312-H334 VanDerWaalsContact CG-CD2 3.45Å; K312-H334 WeakPolarHBondContact CG-CD2 3.18Å
313I87.5Confident78Confident13 Ų1354.3 Ų54.37%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-118.3122.2175.2-58.3168.7000106.4I55 Q273 L274 I311 L315 Y332 I333I55-I313 HydrophobicContact CD1-CD1 4.48Å; I55-I313 HydrophobicContact CD1-CG2 4.43Å; I55-I313 HydrophobicContact CG1-CD1 4.49Å; I55-I313 HydrophobicContact CG2-CD1 4.14Å; Q273-I313 CarbonylContact O-C 3.57Å; Q273-I313 WeakPolarHBondContact O-CA 3.24Å; L274-I313 HydrophobicContact CD1-CD1 4.2Å; L274-I313 HydrophobicContact CD1-CG1 3.48Å; L274-I313 VanDerWaalsContact CD1-CG1 3.48Å; I311-I313 HydrophobicContact CG2-CG1 4.38Å; I313-L315 HydrophobicContact CG2-CD1 4.44Å; I313-L315 HydrophobicContact CG2-CG 4.1Å; I313-Y332 WeakPolarHBondContact O-CA 3.46Å; I313-I333 HydrophobicContact CB-CB 4.24Å; I313-I333 PolarHBondContact N-O 2.83Å; I313-I333 PolarHBondContact O-N 3.29Å
314H88.4Confident76.5Confident42 Ų4258.9 Ų58.919%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-110.5124.3169.7-61.9-109000107.7I272 Q273 H330 Y332I272-H314 CarbonylContact C-O 3.59Å; I272-H314 WeakPolarHBondContact CA-O 3.35Å; Q273-H314 HydrophobicContact CB-CB 4.23Å; Q273-H314 PolarHBondContact N-O 3.49Å; Q273-H314 PolarHBondContact O-N 3.36Å; H314-H330 AromaticContact CG-NE2 3.83Å; H314-H330 AromaticContact ND1-CE1 3.61Å; H314-H330 AromaticContact ND1-NE2 3.21Å; H314-H330 PolarHBondContact ND1-NE2 2.93Å; H314-Y332 AromaticContact CE1-CD2 3.31Å; H314-Y332 WeakPolarHBondContact CE1-CD2 3.4Å; H314-Y332 AromaticContact CE1-CE2 3.42Å; H314-Y332 VanDerWaalsContact CE1-CE2 3.42Å; H314-Y332 WeakPolarHBondContact CE1-CE2 3.49Å; H314-Y332 AromaticContact ND1-CD2 3.65Å; H314-Y332 AromaticContact NE2-CD2 3.57Å; H314-Y332 AromaticContact NE2-CE2 3.36Å; H314-Y332 WeakPolarHBondContact NE2-CE2 3.48Å
315L85.9Confident75Confident9 Ų962.5 Ų62.55%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-115.1109.8172-68.4166.1000106.4I51 I55 W270 L271 I272 I313 H330 L331I51-L315 HydrophobicContact CG2-CD1 4.43Å; I55-L315 HydrophobicContact CD1-CD1 4.05Å; W270-L315 HydrophobicContact CE3-CB 4.08Å; W270-L315 HydrophobicContact CZ3-CB 4Å; L271-L315 WeakPolarHBondContact O-CA 3.43Å; I272-L315 HydrophobicContact CB-CD2 4.05Å; I272-L315 HydrophobicContact CD1-CD2 4.01Å; I272-L315 HydrophobicContact CG1-CD2 3.58Å; I272-L315 HydrophobicContact CG2-CD2 3.85Å; I313-L315 HydrophobicContact CG2-CD1 4.44Å; I313-L315 HydrophobicContact CG2-CG 4.1Å; L315-H330 CarbonylContact O-C 3.59Å; L315-H330 WeakPolarHBondContact O-CA 3.33Å; L315-H330 PolarHBondContact O-CD2 2.79Å; L315-L331 HydrophobicContact CB-CB 4.12Å; L315-L331 HydrophobicContact CD1-CD2 3.74Å; L315-L331 HydrophobicContact CD1-CG 4.26Å; L315-L331 PolarHBondContact N-O 3.12Å; L315-L331 PolarHBondContact O-N 3.35Å
316V84.4Confident73.7Confident26 Ų2662.4 Ų62.416%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-119118.6-175.1-177.20000108.5W270 L271 L318 P327 S329W270-V316 CarbonylContact C-O 3.53Å; L271-V316 HydrophobicContact CB-CB 4.34Å; L271-V316 PolarHBondContact N-O 2.87Å; L271-V316 PolarHBondContact O-N 2.81Å; V316-L318 HydrophobicContact CG1-CD2 3.88Å; V316-P327 HydrophobicContact CG1-CB 3.49Å; V316-P327 VanDerWaalsContact CG1-CB 3.49Å; V316-S329 WeakPolarHBondContact CA-O 3.42Å
317E79.1Confident72.6Confident40 Ų4065.1 Ų65.119%0.18733%0.332CS..EExtended strand (participates in β ladder)trans-83.3121.1172-171.5172.5-155.100109.4W270 P327 I328 S329W270-E317 HydrophobicContact CD2-CB 3.89Å; W270-E317 HydrophobicContact CD2-CG 4.3Å; W270-E317 HydrophobicContact CE3-CB 4Å; W270-E317 HydrophobicContact CH2-CB 3.9Å; W270-E317 HydrophobicContact CZ2-CB 3.73Å; W270-E317 HydrophobicContact CZ2-CG 4.01Å; W270-E317 WeakPolarHBondContact CZ2-OE2 3.41Å; W270-E317 HydrophobicContact CZ3-CB 4.01Å; E317-P327 CarbonylContact O-C 3.25Å; E317-P327 VanDerWaalsContact O-CA 3.3Å; E317-P327 WeakPolarHBondContact O-CA 3.27Å; E317-I328 HydrophobicContact CB-CB 4.47Å; E317-I328 HydrophobicContact CG-CB 4.42Å; E317-I328 HydrophobicContact CG-CD1 4.44Å; E317-I328 PolarHBondContact O-N 3.21Å; E317-S329 WeakPolarHBondContact CB-OG 3.19Å; E317-S329 PolarHBondContact N-O 3.13Å; E317-S329 PolarHBondContact OE2-OG 3.5Å
318L71.4Confident71.7Confident35 Ų3564.2 Ų64.218%0.18333%0.329CS..EExtended strand (participates in β ladder)trans-96.3130.1179.6-59177.2000110G269 L271 V316 Q320 D325G269-L318 PolarHBondContact O-N 2.85Å; G269-L318 VanDerWaalsContact O-N 3.11Å; L271-L318 HydrophobicContact CB-CD1 4.22Å; L271-L318 HydrophobicContact CB-CG 4.45Å; V316-L318 HydrophobicContact CG1-CD2 3.88Å; L318-Q320 PolarHBondContact O-N 2.62Å; L318-D325 HydrophobicContact CD2-CB 4.16Å
319D66.2Low70.8Confident22 Ų2262.1 Ų62.112%0.11832%0.317CS..  trans-71.8114.6168.1-160.6-17000109.9D321 I326 I328 K384D319-D321 VanDerWaalsContact C-N 3.31Å; D319-D321 PolarHBondContact OD1-N 2.74Å; D319-I326 PolarHBondContact N-O 3.14Å; D319-I328 HydrophobicContact CB-CD1 3.57Å; D319-I328 HydrophobicContact CB-CG1 3.79Å; D319-K384 IonicContact OD2-NZ 3.61Å; D319-K384 PolarHBondContact OD2-NZ 3.33Å
320Q61.2Low70.6Confident145 Ų14564 Ų6468%0.67833%0.325SS*.THydrogen-bonded Turntrans-82.6-7.4179.1-67.3-174.9-7.400113.1L318L318-Q320 PolarHBondContact O-N 2.62Å
321D56.9Low70.4Confident154 Ų15464 Ų6482%0.82433%0.325SS*.THydrogen-bonded Turntrans-88.1-8.4-173.3-79-22.9000114.1D319D319-D321 VanDerWaalsContact C-N 3.31Å; D319-D321 PolarHBondContact OD1-N 2.74Å
322E47.9Very low70.3Confident91 Ų9165.8 Ų65.843%0.42533%0.331SS..SBendtrans-116.7144.7176.2-68.8-177.1-154.200110.8I324 K384E322-I324 PolarHBondContact O-N 2.83Å; E322-K384 IonicContact OE1-NZ 3.63Å; E322-K384 PolarHBondContact OE1-NZ 2.93Å
323M48.1Very low70.1Confident211 Ų21163.5 Ų63.5100%1.03932%0.322SS*.SBendtrans-61.88.8174.8-86.1-157.6164.600114.2
324I53.2Low70Confident113 Ų11364.4 Ų64.458%0.57933%0.326SS*.SBendtrans-131.9117.2-178.8-55.8175.1000105.7E322 I326E322-I324 PolarHBondContact O-N 2.83Å; I324-I326 VanDerWaalsContact C-N 3.27Å; I324-I326 HydrophobicContact CB-CG1 4.26Å; I324-I326 HydrophobicContact CG2-CD1 4.45Å; I324-I326 HydrophobicContact CG2-CG1 3.81Å; I324-I326 PolarHBondContact O-N 2.79Å
325D55.6Low69.9Low117 Ų11763.5 Ų63.563%0.62632%0.321SS*.  trans-64.683.9173-72.3-34.6000109.6L318L318-D325 HydrophobicContact CD2-CB 4.16Å
326I57.1Low69.6Low62 Ų6263.2 Ų63.232%0.31832%0.32SS..  trans-89.3123.8175.6-57.7174.7000108D319 I324 I328D319-I326 PolarHBondContact N-O 3.14Å; I324-I326 VanDerWaalsContact C-N 3.27Å; I324-I326 HydrophobicContact CB-CG1 4.26Å; I324-I326 HydrophobicContact CG2-CD1 4.45Å; I324-I326 HydrophobicContact CG2-CG1 3.81Å; I324-I326 PolarHBondContact O-N 2.79Å; I326-I328 PolarHBondContact O-N 2.7Å
327P60.4Low69.4Low65 Ų6563.8 Ų63.842%0.42232%0.323SS..EExtended strand (participates in β ladder)trans-68.8116177.828.3-34.1000110.5V316 E317V316-P327 HydrophobicContact CG1-CB 3.49Å; V316-P327 VanDerWaalsContact CG1-CB 3.49Å; E317-P327 CarbonylContact O-C 3.25Å; E317-P327 VanDerWaalsContact O-CA 3.3Å; E317-P327 WeakPolarHBondContact O-CA 3.27Å
328I66.4Low69.4Low47 Ų4762.9 Ų62.924%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-77.2-41.8178.8-60.6166.3000110.2E317 D319 I326 D381E317-I328 HydrophobicContact CB-CB 4.47Å; E317-I328 HydrophobicContact CG-CB 4.42Å; E317-I328 HydrophobicContact CG-CD1 4.44Å; E317-I328 PolarHBondContact O-N 3.21Å; D319-I328 HydrophobicContact CB-CD1 3.57Å; D319-I328 HydrophobicContact CB-CG1 3.79Å; I326-I328 PolarHBondContact O-N 2.7Å; I328-D381 PolarHBondContact O-N 2.98Å
329S68.1Low69.8Low5 Ų564.3 Ų64.34%0.03533%0.329CS..EExtended strand (participates in β ladder)trans-140.3141.1178.767.60000109.8W270 V316 E317W270-S329 WeakPolarHBondContact CH2-OG 3.49Å; W270-S329 WeakPolarHBondContact CZ2-OG 3.26Å; V316-S329 WeakPolarHBondContact CA-O 3.42Å; E317-S329 WeakPolarHBondContact CB-OG 3.19Å; E317-S329 PolarHBondContact N-O 3.13Å; E317-S329 PolarHBondContact OE2-OG 3.5Å
330H80.6Confident70.7Confident51 Ų5169.3 Ų69.324%0.23635%0.352CS..EExtended strand (participates in β ladder)trans-133.1116.6177.2177.9-138.8000109.3H314 L315 M378 T379H314-H330 AromaticContact CG-NE2 3.83Å; H314-H330 AromaticContact ND1-CE1 3.61Å; H314-H330 AromaticContact ND1-NE2 3.21Å; H314-H330 PolarHBondContact ND1-NE2 2.93Å; L315-H330 CarbonylContact O-C 3.59Å; L315-H330 WeakPolarHBondContact O-CA 3.33Å; L315-H330 PolarHBondContact O-CD2 2.79Å; H330-M378 WeakPolarHBondContact O-CA 3.22Å; H330-T379 PolarHBondContact N-O 2.97Å; H330-T379 PolarHBondContact O-N 2.86Å; H330-T379 PolarHBondContact O-OG1 2.95Å
331L82.9Confident71.8Confident27 Ų2763 Ų6314%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-104.6123.4169171.364.2000108.4L315 I333 M378L315-L331 HydrophobicContact CB-CB 4.12Å; L315-L331 HydrophobicContact CD1-CD2 3.74Å; L315-L331 HydrophobicContact CD1-CG 4.26Å; L315-L331 PolarHBondContact N-O 3.12Å; L315-L331 PolarHBondContact O-N 3.35Å; L331-I333 HydrophobicContact CD1-CG1 4.29Å; L331-I333 HydrophobicContact CD2-CD1 4.41Å; L331-I333 HydrophobicContact CG-CG1 4.33Å; L331-M378 HydrophobicContact CD1-CB 4.2Å
332Y85.4Confident73.2Confident46 Ų4658.5 Ų58.518%0.1830%0.298CS..EExtended strand (participates in β ladder)trans-116119.4178174.1-110.7000109.2K312 I313 H314 H334 T375 T376 N377K312-Y332 HydrophobicContact CB-CE2 4.14Å; K312-Y332 HydrophobicContact CD-CE2 4.37Å; K312-Y332 HydrophobicContact CG-CE2 4.21Å; I313-Y332 WeakPolarHBondContact O-CA 3.46Å; H314-Y332 AromaticContact CE1-CD2 3.31Å; H314-Y332 WeakPolarHBondContact CE1-CD2 3.4Å; H314-Y332 AromaticContact CE1-CE2 3.42Å; H314-Y332 VanDerWaalsContact CE1-CE2 3.42Å; H314-Y332 WeakPolarHBondContact CE1-CE2 3.49Å; H314-Y332 AromaticContact ND1-CD2 3.65Å; H314-Y332 AromaticContact NE2-CD2 3.57Å; H314-Y332 AromaticContact NE2-CE2 3.36Å; H314-Y332 WeakPolarHBondContact NE2-CE2 3.48Å; Y332-H334 HydrophobicContact CD1-CB 4.33Å; Y332-H334 HydrophobicContact CE1-CB 3.47Å; Y332-H334 VanDerWaalsContact CE1-CB 3.47Å; Y332-H334 HydrophobicContact CE2-CB 4.22Å; Y332-H334 VanDerWaalsContact CZ-CB 3.43Å; Y332-H334 AromaticContact CZ-CG 3.89Å; Y332-H334 VanDerWaalsContact OH-CB 3.3Å; Y332-H334 WeakPolarHBondContact OH-CB 3.41Å; Y332-H334 PolarHBondContact OH-ND1 3.05Å; Y332-H334 VanDerWaalsContact OH-ND1 3.13Å; Y332-T375 HydrophobicContact CD1-CG2 4.47Å; Y332-T375 HydrophobicContact CE1-CG2 4.32Å; Y332-T376 CarbonylContact O-C 3.59Å; Y332-T376 VanDerWaalsContact O-CA 3.24Å; Y332-T376 WeakPolarHBondContact O-CA 3.48Å; Y332-N377 PolarHBondContact N-O 3.34Å; Y332-N377 PolarHBondContact O-N 3.41Å
333I85Confident74.9Confident12 Ų1255.9 Ų55.96%0.06229%0.286CS..EExtended strand (participates in β ladder)trans-115.4129172.4-59.1169.8000107.7I55 L59 K312 I313 L331 Y374 T375I55-I333 HydrophobicContact CG2-CD1 3.79Å; L59-I333 HydrophobicContact CD1-CG2 4.33Å; K312-I333 CarbonylContact C-O 3.55Å; K312-I333 WeakPolarHBondContact CA-O 3.36Å; I313-I333 HydrophobicContact CB-CB 4.24Å; I313-I333 PolarHBondContact N-O 2.83Å; I313-I333 PolarHBondContact O-N 3.29Å; L331-I333 HydrophobicContact CD1-CG1 4.29Å; L331-I333 HydrophobicContact CD2-CD1 4.41Å; L331-I333 HydrophobicContact CG-CG1 4.33Å; I333-Y374 HydrophobicContact CG2-CE2 3.67Å; I333-T375 CarbonylContact C-O 3.57Å; I333-T375 WeakPolarHBondContact CA-O 3.11Å
334H86.8Confident76.8Confident32 Ų3246.5 Ų46.515%0.14824%0.24CC..EExtended strand (participates in β ladder)trans-133.4110.3-179.1178.3-159.2000109.2D310 I311 K312 Y332 W373 Y374 T375D310-H334 VanDerWaalsContact CG-NE2 3.28Å; D310-H334 IonicContact OD1-CD2 3.62Å; D310-H334 PolarHBondContact OD1-CD2 2.79Å; D310-H334 IonicContact OD1-CE1 2.86Å; D310-H334 IonicContact OD1-NE2 2.71Å; D310-H334 PolarHBondContact OD1-NE2 2.78Å; D310-H334 IonicContact OD2-NE2 3.11Å; D310-H334 PolarHBondContact OD2-NE2 3.16Å; I311-H334 WeakPolarHBondContact O-CA 3.32Å; K312-H334 WeakPolarHBondContact CE-NE2 3.5Å; K312-H334 HydrophobicContact CG-CB 4.35Å; K312-H334 VanDerWaalsContact CG-CD2 3.45Å; K312-H334 WeakPolarHBondContact CG-CD2 3.18Å; Y332-H334 HydrophobicContact CD1-CB 4.33Å; Y332-H334 HydrophobicContact CE1-CB 3.47Å; Y332-H334 VanDerWaalsContact CE1-CB 3.47Å; Y332-H334 HydrophobicContact CE2-CB 4.22Å; Y332-H334 VanDerWaalsContact CZ-CB 3.43Å; Y332-H334 AromaticContact CZ-CG 3.89Å; Y332-H334 VanDerWaalsContact OH-CB 3.3Å; Y332-H334 WeakPolarHBondContact OH-CB 3.41Å; Y332-H334 PolarHBondContact OH-ND1 3.05Å; Y332-H334 VanDerWaalsContact OH-ND1 3.13Å; H334-W373 AromaticContact CD2-NE1 3.89Å; H334-W373 AromaticContact CE1-CD1 3.96Å; H334-W373 AromaticContact CE1-NE1 3.69Å; H334-W373 AromaticContact NE2-CD1 3.92Å; H334-W373 AromaticContact NE2-NE1 3.33Å; H334-W373 PolarHBondContact NE2-NE1 3.47Å; H334-Y374 CarbonylContact O-C 3.55Å; H334-Y374 WeakPolarHBondContact O-CA 3.38Å; H334-T375 PolarHBondContact N-O 3.35Å; H334-T375 PolarHBondContact O-N 2.82Å
335K85.1Confident78.2Confident24 Ų2443.1 Ų43.110%0.10422%0.222CC..EExtended strand (participates in β ladder)trans-121.6135.3177.5-175.3171.1177.2177.10108.8L59 N63 I311 W373 Y374L59-K335 HydrophobicContact CD2-CB 4.2Å; L59-K335 HydrophobicContact CD2-CD 3.36Å; L59-K335 HydrophobicContact CD2-CG 4.41Å; L59-K335 PolarHBondContact O-NZ 3.04Å; N63-K335 VanDerWaalsContact CG-NZ 3.33Å; N63-K335 WeakPolarHBondContact OD1-CE 3.07Å; N63-K335 PolarHBondContact OD1-NZ 3.34Å; I311-K335 WeakPolarHBondContact CA-O 3.5Å; I311-K335 PolarHBondContact N-O 3.47Å; I311-K335 PolarHBondContact O-N 2.99Å; I311-K335 VanDerWaalsContact O-O 3.08Å; K335-W373 WeakPolarHBondContact CA-O 3.36Å; K335-Y374 HydrophobicContact CB-CD2 4.01Å; K335-Y374 HydrophobicContact CD-CD2 4.31Å; K335-Y374 HydrophobicContact CG-CD2 4.25Å
336G79.6Confident79.6Confident2 Ų238 Ų382%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-153.4165.9169.900000112.8N309 Q372 W373N309-G336 CarbonylContact O-C 3.54Å; N309-G336 WeakPolarHBondContact O-CA 3.36Å; G336-Q372 WeakPolarHBondContact O-CA 3.42Å; G336-W373 PolarHBondContact N-O 2.94Å; G336-W373 PolarHBondContact O-N 2.78Å
337N80.8Confident80.9Confident39 Ų3936 Ų3621%0.20919%0.185CC..EExtended strand (participates in β ladder)trans-140.8135.8177.559.4-73.5000109.5V308 N309 V371 Q372V308-N337 CarbonylContact C-O 3.55Å; V308-N337 WeakPolarHBondContact CA-O 3.4Å; N309-N337 WeakPolarHBondContact CB-OD1 3.4Å; N309-N337 PolarHBondContact N-O 2.89Å; N309-N337 PolarHBondContact ND2-OD1 2.9Å; N309-N337 PolarHBondContact O-N 2.93Å; N337-V371 CarbonylContact C-O 3.58Å; N337-V371 VanDerWaalsContact CA-O 3.26Å; N337-V371 WeakPolarHBondContact CA-O 3.36Å; N337-Q372 HydrophobicContact CB-CG 4.16Å
338A80Confident82Confident21 Ų2133.7 Ų33.717%0.17417%0.169CC..EExtended strand (participates in β ladder)trans-119.7141.2173.900000110F307 V308 I370 V371 W373F307-A338 CarbonylContact O-C 3.58Å; F307-A338 WeakPolarHBondContact O-CA 3.33Å; V308-A338 HydrophobicContact CG2-CB 3.92Å; A338-I370 CarbonylContact O-C 3.55Å; A338-I370 WeakPolarHBondContact O-CA 3.23Å; A338-V371 HydrophobicContact CB-CB 4.44Å; A338-V371 PolarHBondContact N-O 2.84Å; A338-V371 PolarHBondContact O-N 2.55Å; A338-W373 HydrophobicContact CB-CH2 3.95Å; A338-W373 HydrophobicContact CB-CZ3 3.72Å
339I79.7Confident82.6Confident65 Ų6534.2 Ų34.233%0.33317%0.171SC..EExtended strand (participates in β ladder)trans-127130.4171.8-56.5177.8000106.9G306 F307 T368 F369 I370G306-I339 CarbonylContact C-O 3.56Å; G306-I339 WeakPolarHBondContact CA-O 3.45Å; F307-I339 HydrophobicContact CB-CB 4.45Å; F307-I339 PolarHBondContact N-O 2.82Å; F307-I339 PolarHBondContact O-N 2.78Å; I339-T368 HydrophobicContact CG2-CG2 4.17Å; I339-F369 CarbonylContact C-O 3.49Å; I339-F369 VanDerWaalsContact CA-O 3.3Å; I339-F369 WeakPolarHBondContact CA-O 3.28Å; I339-I370 HydrophobicContact CG1-CG1 4.21Å; I339-I370 HydrophobicContact CG1-CG2 4.3Å; I339-I370 HydrophobicContact CG2-CG1 4.4Å
340Q84.2Confident83.1Confident127 Ų12736 Ų3659%0.59318%0.18SC*.EExtended strand (participates in β ladder)trans-132.6125.4172.1-175.3179.75.600109.1I305 T368 F369I305-Q340 WeakPolarHBondContact O-CA 3.47Å; Q340-T368 CarbonylContact O-C 3.52Å; Q340-T368 VanDerWaalsContact O-CA 3.25Å; Q340-T368 WeakPolarHBondContact O-CA 3.28Å; Q340-F369 PolarHBondContact N-O 2.8Å; Q340-F369 PolarHBondContact O-N 3.21Å
341G84.4Confident82.7Confident13 Ų1336.7 Ų36.713%0.13419%0.185CC..EExtended strand (participates in β ladder)trans-158.8-176.4178.900000112E304 I305E304-G341 WeakPolarHBondContact CA-O 3.48Å; I305-G341 PolarHBondContact N-O 2.87Å; I305-G341 PolarHBondContact O-N 2.64Å
342Y86.6Confident82Confident59 Ų5941.7 Ų41.723%0.23121%0.206CC..EExtended strand (participates in β ladder)trans-145.6153.517466.5-88.1000111.4R302 T303 D344 G365 G366R302-Y342 HydrophobicContact CG-CD2 4.07Å; R302-Y342 HydrophobicContact CG-CG 4.31Å; R302-Y342 VanDerWaalsContact CZ-CE2 3.47Å; R302-Y342 VanDerWaalsContact NH2-CE2 3.31Å; T303-Y342 CarbonylContact O-C 3.57Å; T303-Y342 WeakPolarHBondContact O-CA 3.46Å; Y342-D344 VanDerWaalsContact CD2-OD1 3.31Å; Y342-D344 WeakPolarHBondContact CD2-OD1 3.4Å; Y342-G365 PolarHBondContact O-N 3.45Å; Y342-G365 WeakPolarHBondContact OH-CA 3.24Å; Y342-G366 WeakPolarHBondContact CE1-O 3.24Å; Y342-G366 PolarHBondContact OH-N 3.16Å; Y342-G366 PolarHBondContact OH-O 3.42Å
343I84.3Confident81Confident36 Ų3644.6 Ų44.619%0.18523%0.225CC..EExtended strand (participates in β ladder)trans-120.6124.5172.1-59.8174.4000107.2T303 M362 N363T303-I343 PolarHBondContact N-O 3.16Å; T303-I343 PolarHBondContact O-N 3.33Å; I343-M362 HydrophobicContact CG2-CE 4.27Å; I343-M362 HydrophobicContact CG2-CG 3.69Å; I343-M362 HydrophobicContact CG2-SD 4.35Å; I343-N363 CarbonylContact C-O 3.59Å; I343-N363 WeakPolarHBondContact CA-O 3.38Å
344D86.2Confident79.8Confident14 Ų1447.9 Ų47.98%0.07524%0.242CC..EExtended strand (participates in β ladder)trans-97.6119.9174.6-78.3-1.1000109.3N300 R302 Y342 I346 M362 N363N300-D344 PolarHBondContact ND2-OD2 2.82Å; R302-D344 VanDerWaalsContact CB-OD1 3.26Å; R302-D344 WeakPolarHBondContact CB-OD1 3.48Å; R302-D344 VanDerWaalsContact CG-OD1 3.25Å; R302-D344 WeakPolarHBondContact CG-OD1 3.36Å; R302-D344 IonicContact CZ-OD1 3.77Å; R302-D344 IonicContact CZ-OD2 2.67Å; R302-D344 IonicContact NE-OD1 2.79Å; R302-D344 PolarHBondContact NE-OD1 3.38Å; R302-D344 IonicContact NE-OD2 2.68Å; R302-D344 IonicContact NH2-OD1 2.62Å; R302-D344 PolarHBondContact NH2-OD1 2.8Å; R302-D344 IonicContact NH2-OD2 3.67Å; R302-D344 PolarHBondContact NH2-OD2 2.87Å; Y342-D344 VanDerWaalsContact CD2-OD1 3.31Å; Y342-D344 WeakPolarHBondContact CD2-OD1 3.4Å; D344-I346 HydrophobicContact CB-CD1 4.46Å; D344-I346 HydrophobicContact CB-CG1 4.22Å; D344-M362 CarbonylContact O-C 3.44Å; D344-M362 WeakPolarHBondContact O-CA 3.3Å; D344-N363 PolarHBondContact N-O 3.17Å; D344-N363 PolarHBondContact O-N 3.41Å
345F84Confident78.5Confident42 Ų4249 Ų4918%0.18425%0.252CS..EExtended strand (participates in β ladder)trans-98.4112.2166.1-171.7-95.1000109.1M155 V301 T347 L360 A361 M362 L412M155-F345 HydrophobicContact SD-CD2 4.31Å; V301-F345 HydrophobicContact CB-CB 4.45Å; V301-F345 PolarHBondContact N-O 2.88Å; V301-F345 PolarHBondContact O-N 2.85Å; F345-T347 WeakPolarHBondContact CE1-OG1 3.5Å; F345-L360 HydrophobicContact CE1-CD2 4.39Å; F345-L360 HydrophobicContact CZ-CB 4.45Å; F345-L360 HydrophobicContact CZ-CD1 4.42Å; F345-L360 HydrophobicContact CZ-CD2 4.16Å; F345-A361 CarbonylContact C-O 3.56Å; F345-A361 WeakPolarHBondContact CA-O 3.36Å; F345-M362 HydrophobicContact CD2-CB 4.39Å; F345-L412 HydrophobicContact CE2-CD1 4.25Å
346I84.9Confident77.5Confident8 Ų852.5 Ų52.54%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-109.5131.5-173.5-51.6-180000108.7R298 N299 D344 L360 A361 N363R298-I346 HydrophobicContact CG-CG2 4.34Å; N299-I346 CarbonylContact O-C 3.57Å; N299-I346 WeakPolarHBondContact O-CA 3.32Å; D344-I346 HydrophobicContact CB-CD1 4.46Å; D344-I346 HydrophobicContact CB-CG1 4.22Å; I346-L360 CarbonylContact O-C 3.56Å; I346-L360 WeakPolarHBondContact O-CA 3.45Å; I346-A361 HydrophobicContact CB-CB 4.36Å; I346-A361 PolarHBondContact N-O 3.47Å; I346-A361 PolarHBondContact O-N 3.22Å; I346-N363 WeakPolarHBondContact CD1-ND2 3.2Å
347T83.4Confident77.2Confident21 Ų2152.8 Ų52.813%0.12927%0.274CS..EExtended strand (participates in β ladder)trans-121.4109.9172-57.10000108.5R298 N299 F345 I349 I358 C359 L360R298-T347 CarbonylContact C-O 3.59Å; R298-T347 WeakPolarHBondContact CA-O 3.38Å; N299-T347 PolarHBondContact N-O 2.63Å; N299-T347 PolarHBondContact O-N 3.42Å; F345-T347 WeakPolarHBondContact CE1-OG1 3.5Å; T347-I349 HydrophobicContact CG2-CD1 4.02Å; T347-I349 HydrophobicContact CG2-CG1 3.9Å; T347-I358 HydrophobicContact CG2-CG2 4.31Å; T347-C359 WeakPolarHBondContact CA-O 3.36Å; T347-L360 HydrophobicContact CG2-CD2 3.8Å
348D83.7Confident76.9Confident16 Ų1652.9 Ų52.99%0.08627%0.274CS..EExtended strand (participates in β ladder)trans-97.8128.9171.8-72.4-45.6000108.7R298 I358 C359 M423R298-D348 WeakPolarHBondContact CB-OD1 3.47Å; R298-D348 WeakPolarHBondContact CD-OD1 3.37Å; R298-D348 WeakPolarHBondContact CG-OD1 3.2Å; R298-D348 IonicContact CZ-OD1 2.62Å; R298-D348 IonicContact NE-OD1 2.95Å; R298-D348 VanDerWaalsContact NH1-CG 3.32Å; R298-D348 IonicContact NH1-OD1 2.78Å; R298-D348 PolarHBondContact NH1-OD1 2.78Å; R298-D348 IonicContact NH1-OD2 3.42Å; R298-D348 PolarHBondContact NH1-OD2 3.03Å; D348-I358 WeakPolarHBondContact O-CA 3.41Å; D348-C359 HydrophobicContact CB-CB 4.25Å; D348-C359 PolarHBondContact N-O 3.1Å; D348-C359 PolarHBondContact O-N 3.15Å; D348-M423 HydrophobicContact CB-CE 4.02Å
349I79.6Confident77Confident58 Ų5852 Ų5230%0.29727%0.266SS..EExtended strand (participates in β ladder)trans-125.9132.6-180-59173.1000109.1T296 G297 T347 I351 L354 S357 I358T296-I349 CarbonylContact C-O 3.51Å; T296-I349 VanDerWaalsContact CA-O 3.23Å; T296-I349 WeakPolarHBondContact CA-O 3.39Å; G297-I349 PolarHBondContact N-O 2.76Å; G297-I349 PolarHBondContact O-N 2.76Å; T347-I349 HydrophobicContact CG2-CD1 4.02Å; T347-I349 HydrophobicContact CG2-CG1 3.9Å; I349-I351 HydrophobicContact CG2-CG1 4.22Å; I349-L354 HydrophobicContact CG2-CD2 4.1Å; I349-S357 CarbonylContact C-O 3.49Å; I349-S357 WeakPolarHBondContact CA-O 3.09Å; I349-I358 HydrophobicContact CG1-CG1 4.37Å; I349-I358 HydrophobicContact CG1-CG2 4.41Å
350N78.1Confident77.2Confident42 Ų4249.6 Ų49.623%0.22525%0.254CS..EExtended strand (participates in β ladder)trans-121107.7165.5174.12.6000109.2T296 K352 S357 M423T296-N350 HydrophobicContact CG2-CB 4.18Å; N350-K352 PolarHBondContact O-N 3.33Å; N350-K352 VanDerWaalsContact O-N 3.13Å; N350-K352 WeakPolarHBondContact OD1-CB 3.37Å; N350-K352 WeakPolarHBondContact OD1-CG 3.36Å; N350-K352 PolarHBondContact OD1-N 3.18Å; N350-S357 PolarHBondContact N-O 2.94Å; N350-S357 WeakPolarHBondContact O-CB 3.38Å; N350-M423 HydrophobicContact CB-CE 4.01Å
351I71.2Confident77.2Confident67 Ų6743.7 Ų43.734%0.34423%0.227SC..G310 helixtrans-64.9-24.5-169.5-58.6167.5000111.6L187 L295 I349 N353 L354L187-I351 HydrophobicContact CD1-CG2 3.99Å; L295-I351 HydrophobicContact CB-CB 4.17Å; L295-I351 WeakPolarHBondContact O-CB 3.4Å; L295-I351 PolarHBondContact O-N 2.86Å; I349-I351 HydrophobicContact CG2-CG1 4.22Å; I351-N353 PolarHBondContact O-N 3.13Å; I351-L354 HydrophobicContact CB-CD1 4.39Å; I351-L354 HydrophobicContact CG2-CD1 4.04Å
352K68.2Low77.1Confident131 Ų13143 Ų4357%0.5722%0.22SC*.G310 helixtrans-56.2-32-174.1-66.4-178.1-179.2179.40113.6R294 L295 N350R294-K352 WeakPolarHBondContact O-CE 3.33Å; L295-K352 HydrophobicContact CB-CG 4.14Å; L295-K352 HydrophobicContact CD1-CG 3.97Å; N350-K352 PolarHBondContact O-N 3.33Å; N350-K352 VanDerWaalsContact O-N 3.13Å; N350-K352 WeakPolarHBondContact OD1-CB 3.37Å; N350-K352 WeakPolarHBondContact OD1-CG 3.36Å; N350-K352 PolarHBondContact OD1-N 3.18Å
353N64.6Low77Confident107 Ų10740.5 Ų40.557%0.57221%0.21SC*.G310 helixtrans-134.846.1-171.8-64.8-25.1000111.1I351 D356 S357I351-N353 PolarHBondContact O-N 3.13Å; N353-D356 PolarHBondContact O-N 2.85Å; N353-D356 VanDerWaalsContact O-N 3.1Å; N353-S357 WeakPolarHBondContact CB-OG 3.44Å; N353-S357 WeakPolarHBondContact O-CB 3.3Å; N353-S357 PolarHBondContact O-N 2.85Å; N353-S357 PolarHBondContact O-OG 3.26Å
354L59.9Low76.8Confident81 Ų8139.9 Ų39.942%0.42421%0.207SC..  trans-67.3144.4173.4-73.3171000111.7I349 I351 I358I349-L354 HydrophobicContact CG2-CD2 4.1Å; I351-L354 HydrophobicContact CB-CD1 4.39Å; I351-L354 HydrophobicContact CG2-CD1 4.04Å; L354-I358 HydrophobicContact CD2-CD1 3.95Å; L354-I358 HydrophobicContact CD2-CG1 3.69Å
355P59.1Low76.4Confident55 Ų5539.3 Ų39.336%0.35720%0.204SC..SBendcis-88.5-2.11.736.1-36.1000114.4S357P355-S357 PolarHBondContact O-N 2.92Å
356D64.4Low75.7Confident98 Ų9838.2 Ų38.252%0.52420%0.204SC..THydrogen-bonded Turntrans-69.91.3-174.7-71.6-23.4000114.5N353N353-D356 PolarHBondContact O-N 2.85Å; N353-D356 VanDerWaalsContact O-N 3.1Å
357S73.6Confident74.9Confident9 Ų942.9 Ų42.96%0.06323%0.23CC..THydrogen-bonded Turntrans-120.933.4-173.1-63.40000112.9I349 N350 N353 P355 M423I349-S357 CarbonylContact C-O 3.49Å; I349-S357 WeakPolarHBondContact CA-O 3.09Å; N350-S357 PolarHBondContact N-O 2.94Å; N350-S357 WeakPolarHBondContact O-CB 3.38Å; N353-S357 WeakPolarHBondContact CB-OG 3.44Å; N353-S357 WeakPolarHBondContact O-CB 3.3Å; N353-S357 PolarHBondContact O-N 2.85Å; N353-S357 PolarHBondContact O-OG 3.26Å; P355-S357 PolarHBondContact O-N 2.92Å; S357-M423 WeakPolarHBondContact O-CE 3.35Å
358I74.6Confident74.6Confident41 Ų4142.3 Ų42.321%0.2123%0.226CC..EExtended strand (participates in β ladder)trans-111.4122.8166.8-54.4178.3000107T347 D348 I349 L354 L360 K419T347-I358 HydrophobicContact CG2-CG2 4.31Å; D348-I358 WeakPolarHBondContact O-CA 3.41Å; I349-I358 HydrophobicContact CG1-CG1 4.37Å; I349-I358 HydrophobicContact CG1-CG2 4.41Å; L354-I358 HydrophobicContact CD2-CD1 3.95Å; L354-I358 HydrophobicContact CD2-CG1 3.69Å; I358-L360 HydrophobicContact CG2-CD2 4.14Å; I358-K419 WeakPolarHBondContact O-CD 3.24Å
359C83.1Confident74.3Confident1 Ų146.2 Ų46.21%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-117.6126.8173162.70000108.8T347 D348 C420 M423 A425T347-C359 WeakPolarHBondContact CA-O 3.36Å; D348-C359 HydrophobicContact CB-CB 4.25Å; D348-C359 PolarHBondContact N-O 3.1Å; D348-C359 PolarHBondContact O-N 3.15Å; C359-C420 VanDerWaalsContact CA-SG 3.57Å; C359-C420 HydrophobicContact CB-CB 3.95Å; C359-C420 WeakPolarHBondContact CB-SG 3.15Å; C359-C420 WeakPolarHBondContact SG-CA 3.39Å; C359-C420 WeakPolarHBondContact SG-CB 3.47Å; C359-C420 CovalentContact SG-SG 2.03Å; C359-C420 PolarHBondContact SG-SG 3.47Å; C359-M423 HydrophobicContact CB-CE 4.38Å; C359-M423 HydrophobicContact CB-SD 3.62Å; C359-A425 HydrophobicContact CB-CB 4.29Å; C359-A425 WeakPolarHBondContact SG-CB 3.5Å
360L82.7Confident74.2Confident16 Ų1644.6 Ų44.68%0.08423%0.234CC..EExtended strand (participates in β ladder)trans-104.3143.8173.6-53.5177.1000109.2Y142 F345 I346 T347 I358 L412 N416 C420Y142-L360 HydrophobicContact CE1-CD1 4.19Å; F345-L360 HydrophobicContact CE1-CD2 4.39Å; F345-L360 HydrophobicContact CZ-CB 4.45Å; F345-L360 HydrophobicContact CZ-CD1 4.42Å; F345-L360 HydrophobicContact CZ-CD2 4.16Å; I346-L360 CarbonylContact O-C 3.56Å; I346-L360 WeakPolarHBondContact O-CA 3.45Å; T347-L360 HydrophobicContact CG2-CD2 3.8Å; I358-L360 HydrophobicContact CG2-CD2 4.14Å; L360-L412 HydrophobicContact CB-CD1 3.54Å; L360-N416 WeakPolarHBondContact CB-OD1 3.33Å; L360-N416 PolarHBondContact N-OD1 2.74Å; L360-N416 PolarHBondContact O-ND2 3.11Å; L360-C420 PolarHBondContact O-SG 3.26Å; L360-C420 VanDerWaalsContact O-SG 3.34Å
361A83.6Confident74.2Confident2 Ų244.7 Ų44.72%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-143.8141.1169.800000110.7F345 I346 T427F345-A361 CarbonylContact C-O 3.56Å; F345-A361 WeakPolarHBondContact CA-O 3.36Å; I346-A361 HydrophobicContact CB-CB 4.36Å; I346-A361 PolarHBondContact N-O 3.47Å; I346-A361 PolarHBondContact O-N 3.22Å; A361-T427 HydrophobicContact CB-CG2 3.36Å
362M82.7Confident74.7Confident0 Ų043.4 Ų43.40%023%0.229CC..EExtended strand (participates in β ladder)trans-120.1114.2173.7-178.3174128.900107.6I127 Y138 M155 I343 D344 F345 Y410 L412I127-M362 HydrophobicContact CD1-CE 3.76Å; I127-M362 HydrophobicContact CG1-CE 4.23Å; Y138-M362 HydrophobicContact CD1-CE 4.39Å; M155-M362 HydrophobicContact CE-SD 3.72Å; I343-M362 HydrophobicContact CG2-CE 4.27Å; I343-M362 HydrophobicContact CG2-CG 3.69Å; I343-M362 HydrophobicContact CG2-SD 4.35Å; D344-M362 CarbonylContact O-C 3.44Å; D344-M362 WeakPolarHBondContact O-CA 3.3Å; F345-M362 HydrophobicContact CD2-CB 4.39Å; M362-Y410 HydrophobicContact CB-CD2 4.43Å; M362-Y410 HydrophobicContact CE-CD1 4.25Å; M362-Y410 HydrophobicContact CE-CD2 3.39Å; M362-Y410 HydrophobicContact CE-CE2 3.75Å; M362-Y410 HydrophobicContact CE-CG 3.67Å; M362-Y410 HydrophobicContact CG-CD2 3.88Å; M362-Y410 WeakPolarHBondContact O-CD2 3.03Å; M362-Y410 PolarHBondContact O-N 3.21Å; M362-Y410 HydrophobicContact SD-CD2 4.38Å; M362-L412 HydrophobicContact CB-CD1 4.3Å; M362-L412 HydrophobicContact CB-CD2 4.07Å; M362-L412 HydrophobicContact CB-CG 4.41Å
363N84.1Confident75.4Confident5 Ų539.7 Ų39.73%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-120.4125.7-175-58.1-70.4000109.7I343 D344 I346 G365 V408 S409 I428I343-N363 CarbonylContact C-O 3.59Å; I343-N363 WeakPolarHBondContact CA-O 3.38Å; D344-N363 PolarHBondContact N-O 3.17Å; D344-N363 PolarHBondContact O-N 3.41Å; I346-N363 WeakPolarHBondContact CD1-ND2 3.2Å; N363-G365 PolarHBondContact O-N 3.31Å; N363-V408 CarbonylContact C-O 3.6Å; N363-S409 WeakPolarHBondContact OD1-CB 3.19Å; N363-S409 PolarHBondContact OD1-OG 2.81Å; N363-I428 HydrophobicContact CB-CD1 3.8Å; N363-I428 HydrophobicContact CB-CG1 4.36Å
364Q81Confident76.3Confident24 Ų2437 Ų3711%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-68.7127.5161.1-179.6177.2-10.100108.9T368 V408 Y410Q364-T368 PolarHBondContact NE2-OG1 3.36Å; Q364-T368 VanDerWaalsContact NE2-OG1 3.12Å; Q364-V408 HydrophobicContact CB-CB 4.41Å; Q364-V408 PolarHBondContact N-O 3.43Å; Q364-Y410 HydrophobicContact CB-CE2 3.96Å; Q364-Y410 PolarHBondContact OE1-OH 2.78Å
365G77.5Confident77.3Confident2 Ų234.2 Ų34.22%0.02118%0.18CC..PPolyproline II helixtrans-58139.9177.700000113.5Y342 N363 T368Y342-G365 PolarHBondContact O-N 3.45Å; Y342-G365 WeakPolarHBondContact OH-CA 3.24Å; N363-G365 PolarHBondContact O-N 3.31Å; G365-T368 PolarHBondContact O-OG1 2.92Å
366G69.2Low78.4Confident18 Ų1833 Ų3319%0.18617%0.171CC..THydrogen-bonded Turntrans-59.2140.9160.500000109Y342Y342-G366 WeakPolarHBondContact CE1-O 3.24Å; Y342-G366 PolarHBondContact OH-N 3.16Å; Y342-G366 PolarHBondContact OH-O 3.42Å
367N69.4Low79.1Confident107 Ų10730.8 Ų30.857%0.57216%0.159SC*.THydrogen-bonded Turntrans80.338.7-178.1-45.5-29.8000115.1F369N367-F369 HydrophobicContact CB-CD2 4.38Å; N367-F369 HydrophobicContact CB-CE2 3.58Å; N367-F369 HydrophobicContact CB-CZ 3.67Å; N367-F369 WeakPolarHBondContact O-CD2 3.2Å; N367-F369 VanDerWaalsContact O-CE2 3.25Å; N367-F369 WeakPolarHBondContact O-CE2 3.23Å; N367-F369 PolarHBondContact O-N 3.47Å
368T76Confident79.1Confident8 Ų833.9 Ų33.95%0.04917%0.174CC..EExtended strand (participates in β ladder)trans-73109.8161.8-56.10000108.2I339 Q340 Q364 G365 T404 L405I339-T368 HydrophobicContact CG2-CG2 4.17Å; Q340-T368 CarbonylContact O-C 3.52Å; Q340-T368 VanDerWaalsContact O-CA 3.25Å; Q340-T368 WeakPolarHBondContact O-CA 3.28Å; Q364-T368 PolarHBondContact NE2-OG1 3.36Å; Q364-T368 VanDerWaalsContact NE2-OG1 3.12Å; G365-T368 PolarHBondContact O-OG1 2.92Å; T368-T404 WeakPolarHBondContact O-CA 3.36Å; T368-L405 HydrophobicContact CG2-CD1 3.84Å; T368-L405 HydrophobicContact CG2-CG 4.34Å; T368-L405 PolarHBondContact O-N 2.9Å
369F78.2Confident78.9Confident98 Ų9834.6 Ų34.643%0.4318%0.18SC..EExtended strand (participates in β ladder)trans-93134.9-178.2-61.8-78.5000110.3I339 Q340 N367 T404I339-F369 CarbonylContact C-O 3.49Å; I339-F369 VanDerWaalsContact CA-O 3.3Å; I339-F369 WeakPolarHBondContact CA-O 3.28Å; Q340-F369 PolarHBondContact N-O 2.8Å; Q340-F369 PolarHBondContact O-N 3.21Å; N367-F369 HydrophobicContact CB-CD2 4.38Å; N367-F369 HydrophobicContact CB-CE2 3.58Å; N367-F369 HydrophobicContact CB-CZ 3.67Å; N367-F369 WeakPolarHBondContact O-CD2 3.2Å; N367-F369 VanDerWaalsContact O-CE2 3.25Å; N367-F369 WeakPolarHBondContact O-CE2 3.23Å; N367-F369 PolarHBondContact O-N 3.47Å; F369-T404 HydrophobicContact CD1-CG2 3.54Å; F369-T404 HydrophobicContact CE1-CG2 3.6Å
370I77.8Confident77.8Confident24 Ų2440.6 Ų40.612%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-117.4121.9168.5-54.9179.3000106.7A338 I339 Q372 N402 Y403 L405A338-I370 CarbonylContact O-C 3.55Å; A338-I370 WeakPolarHBondContact O-CA 3.23Å; I339-I370 HydrophobicContact CG1-CG1 4.21Å; I339-I370 HydrophobicContact CG1-CG2 4.3Å; I339-I370 HydrophobicContact CG2-CG1 4.4Å; I370-Q372 HydrophobicContact CG2-CG 4.38Å; I370-N402 CarbonylContact O-C 3.55Å; I370-N402 WeakPolarHBondContact O-CA 3.31Å; I370-Y403 PolarHBondContact N-O 3.41Å; I370-Y403 PolarHBondContact O-N 3.44Å; I370-L405 HydrophobicContact CD1-CD1 4.09Å; I370-L405 HydrophobicContact CD1-CD2 3.91Å; I370-L405 HydrophobicContact CD1-CG 3.95Å; I370-L405 HydrophobicContact CG1-CG 4.47Å
371V77.5Confident76.6Confident44 Ų4444.3 Ų44.327%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-117.3134175.8178.80000107.6N337 A338 W373 V400 S401 N402N337-V371 CarbonylContact C-O 3.58Å; N337-V371 VanDerWaalsContact CA-O 3.26Å; N337-V371 WeakPolarHBondContact CA-O 3.36Å; A338-V371 HydrophobicContact CB-CB 4.44Å; A338-V371 PolarHBondContact N-O 2.84Å; A338-V371 PolarHBondContact O-N 2.55Å; V371-W373 HydrophobicContact CG1-CE3 4.04Å; V371-W373 HydrophobicContact CG1-CZ3 4.27Å; V371-V400 HydrophobicContact CG1-CG1 4.21Å; V371-S401 CarbonylContact C-O 3.55Å; V371-S401 WeakPolarHBondContact CA-O 3.37Å; V371-N402 WeakPolarHBondContact CG1-OD1 3.05Å
372Q81.3Confident74.8Confident41 Ų4148.4 Ų48.419%0.19226%0.258CS..EExtended strand (participates in β ladder)trans-125.5139.2172.1-51.7179.7-43.800108.3N66 G336 N337 I370 V400 S401N66-Q372 PolarHBondContact ND2-NE2 2.97Å; G336-Q372 WeakPolarHBondContact O-CA 3.42Å; N337-Q372 HydrophobicContact CB-CG 4.16Å; I370-Q372 HydrophobicContact CG2-CG 4.38Å; Q372-V400 CarbonylContact O-C 3.53Å; Q372-V400 VanDerWaalsContact O-CA 3.26Å; Q372-V400 WeakPolarHBondContact O-CA 3.43Å; Q372-S401 WeakPolarHBondContact CB-OG 3.23Å; Q372-S401 PolarHBondContact N-O 2.98Å; Q372-S401 PolarHBondContact O-N 2.86Å; Q372-S401 PolarHBondContact OE1-OG 2.81Å
373W82.4Confident73.1Confident52 Ų5253.7 Ų53.720%0.19729%0.291CS..EExtended strand (participates in β ladder)trans-128.314517357.793000110.2V308 D310 H334 K335 G336 A338 V371 Y399 V400V308-W373 HydrophobicContact CG1-CH2 3.82Å; V308-W373 HydrophobicContact CG1-CZ2 4.16Å; D310-W373 PolarHBondContact OD1-NE1 2.78Å; H334-W373 AromaticContact CD2-NE1 3.89Å; H334-W373 AromaticContact CE1-CD1 3.96Å; H334-W373 AromaticContact CE1-NE1 3.69Å; H334-W373 AromaticContact NE2-CD1 3.92Å; H334-W373 AromaticContact NE2-NE1 3.33Å; H334-W373 PolarHBondContact NE2-NE1 3.47Å; K335-W373 WeakPolarHBondContact CA-O 3.36Å; G336-W373 PolarHBondContact N-O 2.94Å; G336-W373 PolarHBondContact O-N 2.78Å; A338-W373 HydrophobicContact CB-CH2 3.95Å; A338-W373 HydrophobicContact CB-CZ3 3.72Å; V371-W373 HydrophobicContact CG1-CE3 4.04Å; V371-W373 HydrophobicContact CG1-CZ3 4.27Å; W373-Y399 CarbonylContact C-O 3.51Å; W373-Y399 VanDerWaalsContact CA-O 3.28Å; W373-Y399 WeakPolarHBondContact CA-O 3.27Å; W373-V400 HydrophobicContact CB-CG2 4.2Å
374Y83.4Confident71.3Confident51 Ų5158 Ų5820%0.231%0.309CS..EExtended strand (participates in β ladder)trans-138.7129.7171.7178.8-97.6000108.2L59 I333 H334 K335 T376 Y397 H398 Y399L59-Y374 HydrophobicContact CD1-CE2 3.85Å; L59-Y374 HydrophobicContact CD2-CE2 4.33Å; I333-Y374 HydrophobicContact CG2-CE2 3.67Å; H334-Y374 CarbonylContact O-C 3.55Å; H334-Y374 WeakPolarHBondContact O-CA 3.38Å; K335-Y374 HydrophobicContact CB-CD2 4.01Å; K335-Y374 HydrophobicContact CD-CD2 4.31Å; K335-Y374 HydrophobicContact CG-CD2 4.25Å; Y374-T376 HydrophobicContact CE1-CG2 3.94Å; Y374-Y397 AromaticContact CD1-CD1 3.72Å; Y374-Y397 HydrophobicContact CD1-CD1 3.72Å; Y374-Y397 AromaticContact CD1-CE1 3.84Å; Y374-Y397 HydrophobicContact CD1-CE1 3.84Å; Y374-Y397 AromaticContact CE1-CD1 3.88Å; Y374-Y397 HydrophobicContact CE1-CD1 3.88Å; Y374-Y397 HydrophobicContact CE1-CE1 4.26Å; Y374-H398 CarbonylContact O-C 3.54Å; Y374-H398 WeakPolarHBondContact O-CA 3.29Å; Y374-Y399 PolarHBondContact N-O 2.86Å; Y374-Y399 PolarHBondContact O-N 2.83Å
375T80.9Confident69.3Low22 Ų2265 Ų6514%0.13534%0.342CS..EExtended strand (participates in β ladder)trans-133.6129.5176.7-69.50000107.9Y332 I333 H334 Y397 H398Y332-T375 HydrophobicContact CD1-CG2 4.47Å; Y332-T375 HydrophobicContact CE1-CG2 4.32Å; I333-T375 CarbonylContact C-O 3.57Å; I333-T375 WeakPolarHBondContact CA-O 3.11Å; H334-T375 PolarHBondContact N-O 3.35Å; H334-T375 PolarHBondContact O-N 2.82Å; T375-Y397 CarbonylContact C-O 3.53Å; T375-Y397 VanDerWaalsContact CA-O 3.24Å; T375-Y397 WeakPolarHBondContact CA-O 3.34Å; T375-H398 WeakPolarHBondContact CG2-CE1 3.21Å; T375-H398 WeakPolarHBondContact CG2-ND1 3.49Å; T375-H398 PolarHBondContact OG1-ND1 2.71Å
376T83.6Confident67Low29 Ų2970.5 Ų70.518%0.17838%0.38CS..EExtended strand (participates in β ladder)trans-122.4134.9164178.40000108.4Y332 Y374 S396 Y397Y332-T376 CarbonylContact O-C 3.59Å; Y332-T376 VanDerWaalsContact O-CA 3.24Å; Y332-T376 WeakPolarHBondContact O-CA 3.48Å; Y374-T376 HydrophobicContact CE1-CG2 3.94Å; T376-S396 CarbonylContact O-C 3.56Å; T376-S396 VanDerWaalsContact O-CA 3.28Å; T376-S396 WeakPolarHBondContact O-CA 3.25Å; T376-Y397 HydrophobicContact CG2-CD1 4.5Å; T376-Y397 PolarHBondContact N-O 3.29Å; T376-Y397 PolarHBondContact O-N 2.9Å
377N79.8Confident65.2Low52 Ų5274.4 Ų74.428%0.27840%0.404SS..EExtended strand (participates in β ladder)trans-134135.2173.4-170.914.3000108.6Y332Y332-N377 PolarHBondContact N-O 3.34Å; Y332-N377 PolarHBondContact O-N 3.41Å
378M73Confident63.3Low74 Ų7475 Ų7537%0.36541%0.412SS..EExtended strand (participates in β ladder)trans-126.6115.8177.5-175.5175.7177.200108.2H330 L331 M380H330-M378 WeakPolarHBondContact O-CA 3.22Å; L331-M378 HydrophobicContact CD1-CB 4.2Å; M378-M380 HydrophobicContact CE-CE 3.29Å; M378-M380 HydrophobicContact CE-CG 3.95Å; M378-M380 HydrophobicContact CE-SD 3.78Å
379T69.5Low61Low56 Ų5681.5 Ų81.534%0.34445%0.452SS..EExtended strand (participates in β ladder)trans-109.712517455.50000108.7H330H330-T379 PolarHBondContact N-O 2.97Å; H330-T379 PolarHBondContact O-N 2.86Å; H330-T379 PolarHBondContact O-OG1 2.95Å
380M61.1Low58.8Low127 Ų12785.2 Ų85.263%0.62647%0.472SS*.EExtended strand (participates in β ladder)trans-112.2125.6171.3-76-176.3143.500108.2M378 S382M378-M380 HydrophobicContact CE-CE 3.29Å; M378-M380 HydrophobicContact CE-CG 3.95Å; M378-M380 HydrophobicContact CE-SD 3.78Å; M380-S382 PolarHBondContact O-N 3.49Å; M380-S382 VanDerWaalsContact O-N 3.13Å
381D56Low56.6Low94 Ų9492 Ų9250%0.50350%0.503SS..  trans-78.1103.7177.7-139.6-17.6000108.9I328 T383I328-D381 PolarHBondContact O-N 2.98Å; D381-T383 PolarHBondContact O-N 3.39Å
382S46.8Very low54.6Low88 Ų8896.7 Ų96.762%0.61553%0.527SS*.THydrogen-bonded Turntrans-67.14-17261.80000114.9M380M380-S382 PolarHBondContact O-N 3.49Å; M380-S382 VanDerWaalsContact O-N 3.13Å
383T46.5Very low52.6Low112 Ų11298.9 Ų98.969%0.68754%0.54SS*.THydrogen-bonded Turntrans-86.4-10.9-165.952.20000115.1D381D381-T383 PolarHBondContact O-N 3.39Å
384K47.3Very low51Low96 Ų96102 Ų10242%0.41756%0.561SS.*SBendtrans-108-8.6179.9-79.6-177.3170.6177.50116.4D319 E322D319-K384 IonicContact OD2-NZ 3.61Å; D319-K384 PolarHBondContact OD2-NZ 3.33Å; E322-K384 IonicContact OE1-NZ 3.63Å; E322-K384 PolarHBondContact OE1-NZ 2.93Å
385H39.2Very low49.6Very low171 Ų171105.5 Ų105.579%0.79258%0.579SS**  trans-109.783.1177.4-71.5-48.2000112.5S387H385-S387 PolarHBondContact O-N 2.83Å; H385-S387 VanDerWaalsContact O-N 3.08Å
386S28.5Very low48.7Very low117 Ų117107.3 Ų107.382%0.81859%0.592SS**  trans-75.78616950.10000111
387S30.6Very low47.5Very low100 Ų100112.1 Ų112.170%0.69961%0.608SS**SBendtrans165.5134.8138.247.40000110.8H385H385-S387 PolarHBondContact O-N 2.83Å; H385-S387 VanDerWaalsContact O-N 3.08Å
388T29.6Very low47.4Very low120 Ų120115.5 Ų115.574%0.73662%0.622SS**SBendtrans77.794172.768.30000117.2M390T388-M390 PolarHBondContact O-N 2.87Å
389T27.7Very low47.3Very low144 Ų144116.5 Ų116.588%0.88362%0.622SS**  trans33.178.6143.248.70000116.9
390M31.9Very low47.7Very low175 Ų175118.3 Ų118.386%0.86263%0.633SS**  trans-115.4111.5151.5-67.9-148.284.300108.1T388T388-M390 PolarHBondContact O-N 2.87Å
391Q32.4Very low48.5Very low166 Ų166112.7 Ų112.778%0.77661%0.606SS**  trans-53.8137167.3-73.4171.4-54.500108.1N393Q391-N393 PolarHBondContact O-N 2.77Å
392N34.9Very low49.6Very low144 Ų144113.8 Ų113.877%0.7761%0.612SS**  trans-50.690.9162.2-86.4-3.7000108.6
393N39.3Very low51.1Low86 Ų86114.4 Ų114.446%0.4660%0.602SS.*  trans-99.884169.9-85.61.1000106.4Q391 H395Q391-N393 PolarHBondContact O-N 2.77Å; N393-H395 VanDerWaalsContact CB-NE2 3.33Å; N393-H395 WeakPolarHBondContact CB-NE2 3.48Å; N393-H395 PolarHBondContact ND2-CE1 2.93Å; N393-H395 PolarHBondContact ND2-NE2 3.06Å; N393-H395 PolarHBondContact O-N 2.96Å
394D49.5Very low52.5Low119 Ų119112.8 Ų112.864%0.63659%0.592SS**  trans-60.584.8156-87.3-23.9000107S396D394-S396 PolarHBondContact O-N 2.68Å
395H53.7Low53.7Low123 Ų123111.8 Ų111.857%0.56959%0.591SS**  trans-7866.1172.1-71.9-47.6000108.5N393N393-H395 VanDerWaalsContact CB-NE2 3.33Å; N393-H395 WeakPolarHBondContact CB-NE2 3.48Å; N393-H395 PolarHBondContact ND2-CE1 2.93Å; N393-H395 PolarHBondContact ND2-NE2 3.06Å; N393-H395 PolarHBondContact O-N 2.96Å
396S61.4Low55.4Low61 Ų61110.6 Ų110.643%0.42759%0.585SS.*  trans-81.9117.216756.10000108.8T376 D394T376-S396 CarbonylContact O-C 3.56Å; T376-S396 VanDerWaalsContact O-CA 3.28Å; T376-S396 WeakPolarHBondContact O-CA 3.25Å; D394-S396 PolarHBondContact O-N 2.68Å
397Y59.8Low57.9Low130 Ų130107.6 Ų107.651%0.5156%0.563SS.*EExtended strand (participates in β ladder)trans-112.6119.7171.7176.2-91.3000108.2Y374 T375 T376Y374-Y397 AromaticContact CD1-CD1 3.72Å; Y374-Y397 HydrophobicContact CD1-CD1 3.72Å; Y374-Y397 AromaticContact CD1-CE1 3.84Å; Y374-Y397 HydrophobicContact CD1-CE1 3.84Å; Y374-Y397 AromaticContact CE1-CD1 3.88Å; Y374-Y397 HydrophobicContact CE1-CD1 3.88Å; Y374-Y397 HydrophobicContact CE1-CE1 4.26Å; T375-Y397 CarbonylContact C-O 3.53Å; T375-Y397 VanDerWaalsContact CA-O 3.24Å; T375-Y397 WeakPolarHBondContact CA-O 3.34Å; T376-Y397 HydrophobicContact CG2-CD1 4.5Å; T376-Y397 PolarHBondContact N-O 3.29Å; T376-Y397 PolarHBondContact O-N 2.9Å
398H76.4Confident60.2Low122 Ų122106 Ų10657%0.56555%0.549SS*.EExtended strand (participates in β ladder)trans-118.6124.9177.2-62.2-78.8000109.1Y374 T375Y374-H398 CarbonylContact O-C 3.54Å; Y374-H398 WeakPolarHBondContact O-CA 3.29Å; T375-H398 WeakPolarHBondContact CG2-CE1 3.21Å; T375-H398 WeakPolarHBondContact CG2-ND1 3.49Å; T375-H398 PolarHBondContact OG1-ND1 2.71Å
399Y71.1Confident62.6Low96 Ų96101.5 Ų101.538%0.37652%0.523SS..EExtended strand (participates in β ladder)trans-127.1131.4176.7173.9-94.9000108.8W373 Y374 S401W373-Y399 CarbonylContact C-O 3.51Å; W373-Y399 VanDerWaalsContact CA-O 3.28Å; W373-Y399 WeakPolarHBondContact CA-O 3.27Å; Y374-Y399 PolarHBondContact N-O 2.86Å; Y374-Y399 PolarHBondContact O-N 2.83Å; Y399-S401 WeakPolarHBondContact OH-CB 3.41Å
400V78.8Confident64.8Low94 Ų9496.1 Ų96.157%0.5749%0.486SS*.EExtended strand (participates in β ladder)trans-133.4126.4172.5-177.80000108.1V371 Q372 W373V371-V400 HydrophobicContact CG1-CG1 4.21Å; Q372-V400 CarbonylContact O-C 3.53Å; Q372-V400 VanDerWaalsContact O-CA 3.26Å; Q372-V400 WeakPolarHBondContact O-CA 3.43Å; W373-V400 HydrophobicContact CB-CG2 4.2Å
401S76.8Confident66.8Low8 Ų891.3 Ų91.36%0.05646%0.464CS..EExtended strand (participates in β ladder)trans-121138.4174.659.10000110.8V371 Q372 Y399 Y403V371-S401 CarbonylContact C-O 3.55Å; V371-S401 WeakPolarHBondContact CA-O 3.37Å; Q372-S401 WeakPolarHBondContact CB-OG 3.23Å; Q372-S401 PolarHBondContact N-O 2.98Å; Q372-S401 PolarHBondContact O-N 2.86Å; Q372-S401 PolarHBondContact OE1-OG 2.81Å; Y399-S401 WeakPolarHBondContact OH-CB 3.41Å; S401-Y403 WeakPolarHBondContact OG-CE2 3.44Å
402N79.6Confident68.6Low117 Ų11783.5 Ų83.563%0.62643%0.428SS*.EExtended strand (participates in β ladder)trans-125.3126.2-178.9-62.7-18.1000108.6I370 V371I370-N402 CarbonylContact O-C 3.55Å; I370-N402 WeakPolarHBondContact O-CA 3.31Å; V371-N402 WeakPolarHBondContact CG1-OD1 3.05Å
403Y79Confident70.3Confident101 Ų10177.9 Ų77.940%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-126.4150.2176.4-52.5-85.6000109.9I370 S401I370-Y403 PolarHBondContact N-O 3.41Å; I370-Y403 PolarHBondContact O-N 3.44Å; S401-Y403 WeakPolarHBondContact OG-CE2 3.44Å
404T75.9Confident71.9Confident78 Ų7881.9 Ų81.948%0.47941%0.413SS..EExtended strand (participates in β ladder)trans-117.7128.9171.749.40000109.2T368 F369T368-T404 WeakPolarHBondContact O-CA 3.36Å; F369-T404 HydrophobicContact CD1-CG2 3.54Å; F369-T404 HydrophobicContact CE1-CG2 3.6Å
405L71.6Confident73.2Confident76 Ų7681.8 Ų81.840%0.39841%0.413SS..EExtended strand (participates in β ladder)trans-78.5139.7170.1-56.9177.6000109.3T368 I370T368-L405 HydrophobicContact CG2-CD1 3.84Å; T368-L405 HydrophobicContact CG2-CG 4.34Å; T368-L405 PolarHBondContact O-N 2.9Å; I370-L405 HydrophobicContact CD1-CD1 4.09Å; I370-L405 HydrophobicContact CD1-CD2 3.91Å; I370-L405 HydrophobicContact CD1-CG 3.95Å; I370-L405 HydrophobicContact CG1-CG 4.47Å
406Q75.6Confident74.4Confident146 Ų14676.6 Ų76.668%0.68239%0.389SS*.PPolyproline II helixtrans-66.9146.1171.5-64.5-59-38.600109.8
407P81.4Confident75.3Confident53 Ų5375 Ų7534%0.34438%0.378SS..PPolyproline II helixtrans-63.1140.5174.327.1-33.5000110.5
408V77.7Confident76.4Confident66 Ų6672 Ų7240%0.437%0.37SS..  trans-130.5140.9-179.7178.70000109.1N363 Q364N363-V408 CarbonylContact C-O 3.6Å; Q364-V408 HydrophobicContact CB-CB 4.41Å; Q364-V408 PolarHBondContact N-O 3.43Å
409S79.6Confident76.7Confident27 Ų2767.9 Ų67.919%0.18935%0.351CS..EExtended strand (participates in β ladder)trans-103.2128.2169.2-179.50000109.1N363N363-S409 WeakPolarHBondContact OD1-CB 3.19Å; N363-S409 PolarHBondContact OD1-OG 2.81Å
410Y74.6Confident77.3Confident31 Ų3163.5 Ų63.512%0.12233%0.334CS..EExtended strand (participates in β ladder)trans-88.2133.3179.7-60.8-86.2000110.3I127 M362 Q364 L412I127-Y410 HydrophobicContact CB-CE1 4.22Å; I127-Y410 HydrophobicContact CG2-CD1 4.42Å; I127-Y410 HydrophobicContact CG2-CE1 3.53Å; M362-Y410 HydrophobicContact CB-CD2 4.43Å; M362-Y410 HydrophobicContact CE-CD1 4.25Å; M362-Y410 HydrophobicContact CE-CD2 3.39Å; M362-Y410 HydrophobicContact CE-CE2 3.75Å; M362-Y410 HydrophobicContact CE-CG 3.67Å; M362-Y410 HydrophobicContact CG-CD2 3.88Å; M362-Y410 WeakPolarHBondContact O-CD2 3.03Å; M362-Y410 PolarHBondContact O-N 3.21Å; M362-Y410 HydrophobicContact SD-CD2 4.38Å; Q364-Y410 HydrophobicContact CB-CE2 3.96Å; Q364-Y410 PolarHBondContact OE1-OH 2.78Å; Y410-L412 PolarHBondContact O-N 3.22Å
411N73.3Confident77.6Confident73 Ų7366.9 Ų66.939%0.3934%0.341SS..  trans-74.5113.4179.4-1779.9000110.7N125 Y138 G413 S417 W429N125-N411 PolarHBondContact ND2-O 2.95Å; Y138-N411 PolarHBondContact OH-O 2.89Å; N411-G413 VanDerWaalsContact C-N 3.29Å; N411-G413 PolarHBondContact O-N 2.86Å; N411-G413 PolarHBondContact OD1-N 3.13Å; N411-S417 PolarHBondContact OD1-OG 3.05Å; N411-W429 HydrophobicContact CB-CH2 4.26Å
412L71.8Confident77.9Confident3 Ų374.1 Ų74.12%0.01637%0.372CS..  trans-9229177.4-59.3-178.2000112.8L123 Y138 F345 L360 M362 Y410 N416L123-L412 HydrophobicContact CD1-CB 4.19Å; L123-L412 VanDerWaalsContact CD1-O 3.29Å; L123-L412 WeakPolarHBondContact CD1-O 3.11Å; L123-L412 WeakPolarHBondContact CD2-O 3.49Å; Y138-L412 HydrophobicContact CE2-CD2 3.84Å; Y138-L412 WeakPolarHBondContact OH-CD2 3.36Å; F345-L412 HydrophobicContact CE2-CD1 4.25Å; L360-L412 HydrophobicContact CB-CD1 3.54Å; M362-L412 HydrophobicContact CB-CD1 4.3Å; M362-L412 HydrophobicContact CB-CD2 4.07Å; M362-L412 HydrophobicContact CB-CG 4.41Å; Y410-L412 PolarHBondContact O-N 3.22Å; L412-N416 WeakPolarHBondContact O-CB 3.22Å
413G69Low77.9Confident25 Ų2570.9 Ų70.926%0.25835%0.353SS..  trans94.6150.2177.600000114.6N411 D415 N416 S417N411-G413 VanDerWaalsContact C-N 3.29Å; N411-G413 PolarHBondContact O-N 2.86Å; N411-G413 PolarHBondContact OD1-N 3.13Å; G413-D415 PolarHBondContact O-N 2.99Å; G413-N416 PolarHBondContact O-N 3.19Å; G413-S417 PolarHBondContact O-N 3.12Å; G413-S417 PolarHBondContact O-OG 3.29Å
414Y74.5Confident77.8Confident170 Ų17072.9 Ų72.967%0.66737%0.371SS*.Hα-helixtrans-58.7-43.7-172.1-177.8-102.2000113.6N416 S417 L418Y414-N416 VanDerWaalsContact C-N 3.33Å; Y414-N416 PolarHBondContact O-N 3.03Å; Y414-S417 WeakPolarHBondContact O-CB 3.31Å; Y414-S417 PolarHBondContact O-N 3.15Å; Y414-L418 HydrophobicContact CD1-CD1 3.84Å; Y414-L418 HydrophobicContact CD1-CG 4.28Å; Y414-L418 HydrophobicContact CE1-CD1 3.31Å; Y414-L418 HydrophobicContact CE1-CD2 4.48Å; Y414-L418 HydrophobicContact CE1-CG 3.91Å; Y414-L418 WeakPolarHBondContact O-CG 3.36Å; Y414-L418 PolarHBondContact O-N 3.17Å
415D75.6Confident77.5Confident117 Ų11770 Ų7063%0.62636%0.355SS*.Hα-helixtrans-63.4-39.7179.2-73.4-17.7000112.1G413 L418 K419G413-D415 PolarHBondContact O-N 2.99Å; D415-L418 PolarHBondContact O-N 3.35Å; D415-K419 WeakPolarHBondContact O-CG 3.42Å; D415-K419 PolarHBondContact O-N 3.22Å
416N78.3Confident77.1Confident14 Ų1474.8 Ų74.88%0.07537%0.373CS..Hα-helixtrans-66.4-44175.2178.872.4000111L360 L412 G413 Y414 L418 K419 C420L360-N416 WeakPolarHBondContact CB-OD1 3.33Å; L360-N416 PolarHBondContact N-OD1 2.74Å; L360-N416 PolarHBondContact O-ND2 3.11Å; L412-N416 WeakPolarHBondContact O-CB 3.22Å; G413-N416 PolarHBondContact O-N 3.19Å; Y414-N416 VanDerWaalsContact C-N 3.33Å; Y414-N416 PolarHBondContact O-N 3.03Å; N416-L418 VanDerWaalsContact C-N 3.29Å; N416-L418 PolarHBondContact O-N 2.7Å; N416-K419 WeakPolarHBondContact O-CB 3.45Å; N416-K419 PolarHBondContact O-N 2.92Å; N416-K419 VanDerWaalsContact O-N 3.11Å; N416-C420 WeakPolarHBondContact O-CB 3.41Å; N416-C420 PolarHBondContact O-N 3.43Å; N416-C420 PolarHBondContact O-SG 3.48Å
417S80.9Confident76.2Confident28 Ų2869.2 Ų69.220%0.19635%0.348CS..Hα-helixtrans-57.7-40.7174.3-59.80000112.4N411 G413 Y414 C420 K421 W429N411-S417 PolarHBondContact OD1-OG 3.05Å; G413-S417 PolarHBondContact O-N 3.12Å; G413-S417 PolarHBondContact O-OG 3.29Å; Y414-S417 WeakPolarHBondContact O-CB 3.31Å; Y414-S417 PolarHBondContact O-N 3.15Å; S417-C420 PolarHBondContact O-N 2.88Å; S417-K421 WeakPolarHBondContact O-CB 3.37Å; S417-K421 PolarHBondContact O-N 2.97Å; S417-W429 WeakPolarHBondContact OG-CH2 3.3Å
418L83.6Confident74.8Confident66 Ų6671 Ų7135%0.34635%0.354SS..Hα-helixtrans-63.5-42.8174.6-75179.5000112.2Y414 D415 N416 K421 K422Y414-L418 HydrophobicContact CD1-CD1 3.84Å; Y414-L418 HydrophobicContact CD1-CG 4.28Å; Y414-L418 HydrophobicContact CE1-CD1 3.31Å; Y414-L418 HydrophobicContact CE1-CD2 4.48Å; Y414-L418 HydrophobicContact CE1-CG 3.91Å; Y414-L418 WeakPolarHBondContact O-CG 3.36Å; Y414-L418 PolarHBondContact O-N 3.17Å; D415-L418 PolarHBondContact O-N 3.35Å; N416-L418 VanDerWaalsContact C-N 3.29Å; N416-L418 PolarHBondContact O-N 2.7Å; L418-K421 PolarHBondContact O-N 2.91Å; L418-K422 WeakPolarHBondContact O-CG 2.99Å; L418-K422 PolarHBondContact O-N 3.24Å
419K82.7Confident73Confident37 Ų3776.6 Ų76.616%0.16137%0.368CS..Hα-helixtrans-62.8-47.2175.5-69.9174.7-174.5-176.30111.2I358 D415 N416 K421 K422 M423I358-K419 WeakPolarHBondContact O-CD 3.24Å; D415-K419 WeakPolarHBondContact O-CG 3.42Å; D415-K419 PolarHBondContact O-N 3.22Å; N416-K419 WeakPolarHBondContact O-CB 3.45Å; N416-K419 PolarHBondContact O-N 2.92Å; N416-K419 VanDerWaalsContact O-N 3.11Å; K419-K421 VanDerWaalsContact C-N 3.33Å; K419-K421 PolarHBondContact O-N 2.89Å; K419-K422 WeakPolarHBondContact O-CB 3.49Å; K419-K422 PolarHBondContact O-N 3.31Å; K419-K422 VanDerWaalsContact O-N 3.16Å; K419-M423 WeakPolarHBondContact O-CG 3.36Å; K419-M423 PolarHBondContact O-N 2.87Å
420C84.1Confident72.7Confident4 Ų479.1 Ų79.13%0.02738%0.377CS..Hα-helixtrans-58.6-42.8176.4-69.30000112.8C359 L360 N416 S417 M423 N424 A425C359-C420 VanDerWaalsContact CA-SG 3.57Å; C359-C420 HydrophobicContact CB-CB 3.95Å; C359-C420 WeakPolarHBondContact CB-SG 3.15Å; C359-C420 WeakPolarHBondContact SG-CA 3.39Å; C359-C420 WeakPolarHBondContact SG-CB 3.47Å; C359-C420 CovalentContact SG-SG 2.03Å; C359-C420 PolarHBondContact SG-SG 3.47Å; L360-C420 PolarHBondContact O-SG 3.26Å; L360-C420 VanDerWaalsContact O-SG 3.34Å; N416-C420 WeakPolarHBondContact O-CB 3.41Å; N416-C420 PolarHBondContact O-N 3.43Å; N416-C420 PolarHBondContact O-SG 3.48Å; S417-C420 PolarHBondContact O-N 2.88Å; C420-M423 PolarHBondContact O-N 3.24Å; C420-N424 PolarHBondContact O-N 3.07Å; C420-N424 VanDerWaalsContact O-N 3.17Å; C420-A425 HydrophobicContact CB-CB 4.37Å; C420-A425 PolarHBondContact O-N 2.76Å; C420-A425 VanDerWaalsContact O-N 3.15Å
421K84.1Confident72.6Confident164 Ų16481.6 Ų81.671%0.71339%0.391SS*.Hα-helixtrans-63.1-43175.2-171.4175.3-177.3175.10112S417 L418 K419 M423 N424S417-K421 WeakPolarHBondContact O-CB 3.37Å; S417-K421 PolarHBondContact O-N 2.97Å; L418-K421 PolarHBondContact O-N 2.91Å; K419-K421 VanDerWaalsContact C-N 3.33Å; K419-K421 PolarHBondContact O-N 2.89Å; K421-M423 VanDerWaalsContact C-N 3.26Å; K421-M423 PolarHBondContact O-N 2.93Å; K421-N424 PolarHBondContact O-N 2.73Å; K421-N424 PolarHBondContact O-OD1 3.29Å
422K83.5Confident72.6Confident161 Ų16182.1 Ų82.170%0.739%0.391SS*.Hα-helixtrans-62.6-33.7175.2-74.5176.1-178.6177.80112.5L418 K419 N424L418-K422 WeakPolarHBondContact O-CG 2.99Å; L418-K422 PolarHBondContact O-N 3.24Å; K419-K422 WeakPolarHBondContact O-CB 3.49Å; K419-K422 PolarHBondContact O-N 3.31Å; K419-K422 VanDerWaalsContact O-N 3.16Å; K422-N424 VanDerWaalsContact C-N 3.33Å
423M79Confident72.6Confident48 Ų4886.8 Ų86.824%0.23641%0.413CS..Hα-helixtrans-82.1-7179.9-69.5179.867.900114D348 N350 S357 C359 K419 C420 K421 A425D348-M423 HydrophobicContact CB-CE 4.02Å; N350-M423 HydrophobicContact CB-CE 4.01Å; S357-M423 WeakPolarHBondContact O-CE 3.35Å; C359-M423 HydrophobicContact CB-CE 4.38Å; C359-M423 HydrophobicContact CB-SD 3.62Å; K419-M423 WeakPolarHBondContact O-CG 3.36Å; K419-M423 PolarHBondContact O-N 2.87Å; C420-M423 PolarHBondContact O-N 3.24Å; K421-M423 VanDerWaalsContact C-N 3.26Å; K421-M423 PolarHBondContact O-N 2.93Å; M423-A425 HydrophobicContact CB-CB 4.49Å; M423-A425 PolarHBondContact O-N 3.07Å
424N77.8Confident72.8Confident144 Ų14490.6 Ų90.677%0.7742%0.422SS*.THydrogen-bonded Turntrans49.839.1-168-67.5-30.1000111.9C420 K421 K422 K426C420-N424 PolarHBondContact O-N 3.07Å; C420-N424 VanDerWaalsContact O-N 3.17Å; K421-N424 PolarHBondContact O-N 2.73Å; K421-N424 PolarHBondContact O-OD1 3.29Å; K422-N424 VanDerWaalsContact C-N 3.33Å; N424-K426 PolarHBondContact O-N 3.13Å
425A68.9Low72.7Confident16 Ų1685.3 Ų85.313%0.13241%0.406CS..  trans-64.3127.3-178.200000110C359 C420 M423 T427C359-A425 HydrophobicContact CB-CB 4.29Å; C359-A425 WeakPolarHBondContact SG-CB 3.5Å; C420-A425 HydrophobicContact CB-CB 4.37Å; C420-A425 PolarHBondContact O-N 2.76Å; C420-A425 VanDerWaalsContact O-N 3.15Å; M423-A425 HydrophobicContact CB-CB 4.49Å; M423-A425 PolarHBondContact O-N 3.07Å; A425-T427 VanDerWaalsContact C-N 3.34Å; A425-T427 HydrophobicContact CB-CG2 4.07Å; A425-T427 PolarHBondContact O-N 2.83Å; A425-T427 PolarHBondContact O-OG1 2.6Å
426K62.9Low72.5Confident178 Ų17883.1 Ų83.177%0.77439%0.39SS*.  trans-68.795.2173.4-70.4-173.4-178.8-177.50108.6N424N424-K426 PolarHBondContact O-N 3.13Å
427T57.4Low72.1Confident28 Ų2888.4 Ų88.417%0.17242%0.415CS..  trans-129.1147.5-179.544.20000106.2A361 A425 W429A361-T427 HydrophobicContact CB-CG2 3.36Å; A425-T427 VanDerWaalsContact C-N 3.34Å; A425-T427 HydrophobicContact CB-CG2 4.07Å; A425-T427 PolarHBondContact O-N 2.83Å; A425-T427 PolarHBondContact O-OG1 2.6Å; T427-W429 PolarHBondContact O-N 2.78Å; T427-W429 PolarHBondContact OG1-NE1 3.08Å; T427-W429 VanDerWaalsContact OG1-NE1 3.15Å
428I52.4Low71.3Confident91 Ų9193.4 Ų93.447%0.46743%0.433SS..  trans-75.831.3-166.8-50.3177.4000111.8N363N363-I428 HydrophobicContact CB-CD1 3.8Å; N363-I428 HydrophobicContact CB-CG1 4.36Å
429W39.7Very low70.2Confident184 Ų18495.9 Ų95.970%0.69744%0.441SS*.  trans-69.30-177.9-61.375.8000112.5N411 S417 T427N411-W429 HydrophobicContact CB-CH2 4.26Å; S417-W429 WeakPolarHBondContact OG-CH2 3.3Å; T427-W429 PolarHBondContact O-N 2.78Å; T427-W429 PolarHBondContact OG1-NE1 3.08Å; T427-W429 VanDerWaalsContact OG1-NE1 3.15Å

Retrieved 429 of 429 residues in 556.7 ms (Link to these results)

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