A0A087WWM0_HUMAN Loading...

Trafficking protein particle complex subunit

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB (H2PYN0), UniProt , Accession A0A087WWM0, Species HUMAN (Homo sapiens, Human), Gene TRAPPC3, Length 188 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
1M37.5Very low46.5Very low246 Ų246155.7 Ų155.7100%1.21282%0.815SS**  0970-71.2-171.5-79.700109
2S40.7Very low48.8Very low120 Ų120159.3 Ų159.384%0.83982%0.819SS**  trans-82.9111.2175.7280000109.5Q4S2-Q4 PolarHBondContact O-N 3Å
3R43.4Very low50.5Low249 Ų249163.2 Ų163.294%0.9483%0.826SS**  trans-67.4101.9165.3-83-178.4169.2172.4-4.1107.8A5R3-A5 PolarHBondContact O-N 3.19Å
4Q40.2Very low52.1Low189 Ų189162.3 Ų162.388%0.88382%0.82SS**  trans-65.8106.1172.9-159.2166.58.400107.2S2 N6S2-Q4 PolarHBondContact O-N 3Å; Q4-N6 PolarHBondContact O-N 3.38Å
5A41.1Very low53.8Low84 Ų84155.3 Ų155.369%0.69479%0.792SS**  trans-61.7122.6177.400000108.2R3 R7R3-A5 PolarHBondContact O-N 3.19Å; A5-R7 PolarHBondContact O-N 3.16Å
6N43.7Very low55.4Low163 Ų163149.5 Ų149.587%0.87277%0.77SS**  trans-6984.4178-165.729.8000108.9Q4 G8Q4-N6 PolarHBondContact O-N 3.38Å; N6-G8 PolarHBondContact O-N 2.9Å
7R43.4Very low57Low233 Ų233146.8 Ų146.888%0.87975%0.753SS**  trans-69.379.7168.1-84.8-173.9169.3178.5-3107.8A5 T9A5-R7 PolarHBondContact O-N 3.16Å; R7-T9 PolarHBondContact O-N 2.86Å; R7-T9 VanDerWaalsContact O-N 3.16Å
8G47.5Very low58.5Low57 Ų57144.1 Ų144.159%0.58874%0.74SS**  trans-53.8120.6157.500000107.4N6 E10N6-G8 PolarHBondContact O-N 2.9Å; G8-E10 PolarHBondContact O-N 2.99Å
9T55.4Low59.8Low129 Ų129141.6 Ų141.679%0.79172%0.723SS**  trans-63.4109.2175.133.70000108.6R7 S11R7-T9 PolarHBondContact O-N 2.86Å; R7-T9 VanDerWaalsContact O-N 3.16Å; T9-S11 PolarHBondContact O-N 3.18Å; T9-S11 VanDerWaalsContact O-N 3.15Å
10E57.1Low61Low187 Ų187134.7 Ų134.787%0.87469%0.688SS**  trans-57.6120.1171.8-72.5-169.2147.600109.3G8 K12G8-E10 PolarHBondContact O-N 2.99Å; E10-K12 PolarHBondContact O-N 2.89Å
11S62Low62.1Low56 Ų56133.5 Ų133.539%0.39268%0.683SS.*  trans-68.3118.1179.9-55.20000109.7T9 K13 R70T9-S11 PolarHBondContact O-N 3.18Å; T9-S11 VanDerWaalsContact O-N 3.15Å; S11-K13 PolarHBondContact O-N 3.38Å; S11-R70 PolarHBondContact OG-NE 2.58Å; S11-R70 PolarHBondContact OG-NH1 3.37Å; S11-R70 PolarHBondContact OG-NH2 2.72Å; S11-R70 VanDerWaalsContact OG-NH2 3.1Å
12K73.2Confident64.4Low199 Ų199125.8 Ų125.887%0.86565%0.65SS**  trans-61109.4174.7-66.6-177.6178.1-178.90109.2E10 M14E10-K12 PolarHBondContact O-N 2.89Å; K12-M14 PolarHBondContact O-N 3.19Å
13K71Confident66.5Low209 Ų209120.4 Ų120.491%0.90961%0.611SS**  trans-65.5126.1166-66.1-176.8178.3-179.30108.1S11S11-K13 PolarHBondContact O-N 3.38Å
14M73.6Confident68.5Low151 Ų151109.3 Ų109.374%0.74457%0.574SS**  trans-109.7161.8170.6-58.8-163.4-60.700108.9K12 S16K12-M14 PolarHBondContact O-N 3.19Å; M14-S16 PolarHBondContact O-N 2.8Å
15S77.8Confident70.6Confident57 Ų57103.2 Ų103.240%0.39956%0.556SS.*  trans-61.9137173.9-175.20000110.1E17 L18S15-E17 PolarHBondContact O-N 3.11Å; S15-E17 WeakPolarHBondContact OG-CG 3.11Å; S15-E17 PolarHBondContact OG-N 2.9Å; S15-E17 PolarHBondContact OG-OE2 2.78Å; S15-L18 PolarHBondContact O-N 3.38Å
16S78.4Confident72.7Confident63 Ų63101.5 Ų101.544%0.44153%0.534SS..Hα-helixtrans-58.9-32.8171.744.90000111.4M14 L18 F19 T20M14-S16 PolarHBondContact O-N 2.8Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.46Å; S16-F19 PolarHBondContact O-N 2.91Å; S16-F19 VanDerWaalsContact O-N 3.14Å; S16-T20 WeakPolarHBondContact O-CB 3.36Å; S16-T20 PolarHBondContact O-N 3.2Å; S16-T20 PolarHBondContact O-OG1 2.73Å
17E82.6Confident74.6Confident104 Ų10493.9 Ų93.949%0.48649%0.494SS..Hα-helixtrans-58.2-42.3178.7-56.3160.1141.400111.7S15 F19 T20 L21 F123S15-E17 PolarHBondContact O-N 3.11Å; S15-E17 WeakPolarHBondContact OG-CG 3.11Å; S15-E17 PolarHBondContact OG-N 2.9Å; S15-E17 PolarHBondContact OG-OE2 2.78Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.46Å; E17-T20 PolarHBondContact O-N 2.83Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.26Å; E17-L21 WeakPolarHBondContact O-CG 2.95Å; E17-L21 PolarHBondContact O-N 3.35Å; E17-F123 HydrophobicContact CB-CE2 4.42Å; E17-F123 HydrophobicContact CG-CE2 4.15Å; E17-F123 HydrophobicContact CG-CZ 4.44Å
18L84.6Confident76.5Confident97 Ų9786.3 Ų86.351%0.50847%0.474SS..Hα-helixtrans-64-40178.7178.562000111.2S15 S16 T22S15-L18 PolarHBondContact O-N 3.38Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 3.46Å; L18-T22 VanDerWaalsContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CB 3.26Å; L18-T22 PolarHBondContact O-N 2.74Å; L18-T22 PolarHBondContact O-OG1 3.02Å
19F82.3Confident78.2Confident98 Ų9887.9 Ų87.943%0.4347%0.466SS..Hα-helixtrans-68.1-43.8175.9179.2-122.9000111.3S16 E17 T22 Y23 L95 L120S16-F19 PolarHBondContact O-N 2.91Å; S16-F19 VanDerWaalsContact O-N 3.14Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 3.46Å; F19-T22 PolarHBondContact O-N 3.47Å; F19-Y23 WeakPolarHBondContact O-CB 3.48Å; F19-Y23 PolarHBondContact O-N 2.97Å; F19-L95 HydrophobicContact CD1-CD2 4.37Å; F19-L95 HydrophobicContact CE1-CD2 3.82Å; F19-L120 HydrophobicContact CD1-CD2 3.88Å; F19-L120 HydrophobicContact CE1-CD2 3.47Å; F19-L120 VanDerWaalsContact CE1-CD2 3.47Å; F19-L120 HydrophobicContact CZ-CD2 4.18Å
20T83.8Confident79.4Confident3 Ų382.9 Ų82.92%0.01843%0.434CS..Hα-helixtrans-60.2-48.7178.2-55.20000111.8S16 E17 Y23 G24 P119 F123S16-T20 WeakPolarHBondContact O-CB 3.36Å; S16-T20 PolarHBondContact O-N 3.2Å; S16-T20 PolarHBondContact O-OG1 2.73Å; E17-T20 PolarHBondContact O-N 2.83Å; T20-Y23 PolarHBondContact O-N 3.32Å; T20-G24 PolarHBondContact O-N 3.33Å; T20-P119 VanDerWaalsContact CG2-O 3.27Å; T20-P119 WeakPolarHBondContact CG2-O 3.46Å; T20-P119 PolarHBondContact OG1-O 2.91Å; T20-F123 HydrophobicContact CG2-CD2 4.07Å
21L84.9Confident80.6Confident110 Ų11075.6 Ų75.658%0.57640%0.403SS*.Hα-helixtrans-66.2-38.2176.7-67.8171.2000112.2E17 Y23 G24 A25E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.26Å; E17-L21 WeakPolarHBondContact O-CG 2.95Å; E17-L21 PolarHBondContact O-N 3.35Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-G24 PolarHBondContact O-N 3.18Å; L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.32Å
22T85.3Confident81.6Confident84 Ų8480.3 Ų80.352%0.51542%0.417SS..Hα-helixtrans-66.1-37.6175-57.50000111.3L18 F19 L26L18-T22 VanDerWaalsContact O-CB 3.29Å; L18-T22 WeakPolarHBondContact O-CB 3.26Å; L18-T22 PolarHBondContact O-N 2.74Å; L18-T22 PolarHBondContact O-OG1 3.02Å; F19-T22 PolarHBondContact O-N 3.47Å; T22-L26 PolarHBondContact O-N 3.3Å; T22-L26 VanDerWaalsContact O-N 3.1Å
23Y85.2Confident82Confident7 Ų775.5 Ų75.53%0.02740%0.4CS..Hα-helixtrans-69.8-43.9175.6-172.8-110.4000111.6F19 T20 L21 A25 L26 V27 L44 L120 Y135 L138F19-Y23 WeakPolarHBondContact O-CB 3.48Å; F19-Y23 PolarHBondContact O-N 2.97Å; T20-Y23 PolarHBondContact O-N 3.32Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; Y23-A25 VanDerWaalsContact C-N 3.31Å; Y23-A25 PolarHBondContact O-N 2.87Å; Y23-L26 HydrophobicContact CD2-CD2 4.46Å; Y23-L26 WeakPolarHBondContact O-CA 3.34Å; Y23-L26 WeakPolarHBondContact O-CB 3.37Å; Y23-L26 PolarHBondContact O-N 3.16Å; Y23-V27 HydrophobicContact CD1-CG2 4.19Å; Y23-V27 HydrophobicContact CE1-CG2 3.75Å; Y23-V27 HydrophobicContact CE2-CG2 4.2Å; Y23-V27 WeakPolarHBondContact O-CG2 3.47Å; Y23-V27 PolarHBondContact O-N 3.43Å; Y23-L44 HydrophobicContact CE2-CD2 4.27Å; Y23-L120 HydrophobicContact CD1-CB 4.4Å; Y23-L120 HydrophobicContact CD1-CD1 4.46Å; Y23-L120 HydrophobicContact CD1-CD2 3.96Å; Y23-L120 HydrophobicContact CE1-CD1 4.31Å; Y23-L120 HydrophobicContact CG-CD2 4.14Å; Y23-Y135 HydrophobicContact CD1-CD1 4.41Å; Y23-Y135 AromaticContact CD1-CE1 3.55Å; Y23-Y135 HydrophobicContact CD1-CE1 3.55Å; Y23-Y135 AromaticContact CD1-CZ 3.76Å; Y23-Y135 AromaticContact CE1-CD1 3.86Å; Y23-Y135 HydrophobicContact CE1-CD1 3.86Å; Y23-Y135 AromaticContact CE1-CE1 3.45Å; Y23-Y135 HydrophobicContact CE1-CE1 3.45Å; Y23-Y135 VanDerWaalsContact CE1-CE1 3.45Å; Y23-Y135 AromaticContact CE1-CZ 3.88Å; Y23-Y135 VanDerWaalsContact CE1-O 3.22Å; Y23-Y135 WeakPolarHBondContact CE1-O 3.45Å; Y23-Y135 VanDerWaalsContact CZ-O 3.29Å; Y23-Y135 PolarHBondContact OH-O 2.89Å; Y23-L138 HydrophobicContact CD2-CD2 3.81Å; Y23-L138 HydrophobicContact CE2-CB 3.72Å; Y23-L138 HydrophobicContact CE2-CD2 3.45Å; Y23-L138 VanDerWaalsContact CE2-CD2 3.45Å; Y23-L138 HydrophobicContact CE2-CG 4.16Å; Y23-L138 WeakPolarHBondContact OH-CB 3.15Å
24G85.1Confident82.4Confident15 Ų1569.4 Ų69.416%0.15537%0.372CS..Hα-helixtrans-60.1-39.2173.800000113T20 L21 L26 V27 T28 Y135T20-G24 PolarHBondContact O-N 3.33Å; L21-G24 PolarHBondContact O-N 3.18Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.07Å; G24-V27 PolarHBondContact O-N 2.89Å; G24-T28 VanDerWaalsContact O-CB 3.22Å; G24-T28 WeakPolarHBondContact O-CB 3.38Å; G24-T28 PolarHBondContact O-N 3.29Å; G24-T28 PolarHBondContact O-OG1 3.46Å; G24-Y135 WeakPolarHBondContact CA-OH 3.44Å; G24-Y135 PolarHBondContact N-OH 3.43Å
25A85.5Confident82.5Confident61 Ų6171.4 Ų71.450%0.50438%0.38SS..Hα-helixtrans-63.3-38.717200000112.4L21 Y23 Q29L21-A25 WeakPolarHBondContact O-CB 3.29Å; L21-A25 PolarHBondContact O-N 3.32Å; Y23-A25 VanDerWaalsContact C-N 3.31Å; Y23-A25 PolarHBondContact O-N 2.87Å; A25-Q29 WeakPolarHBondContact O-CB 3.46Å; A25-Q29 PolarHBondContact O-N 2.87Å
26L83.4Confident82.7Confident48 Ų4873.2 Ų73.225%0.25139%0.385SS..Hα-helixtrans-65-48.5174.7176.762.3000112T22 Y23 G24 Q29 L30 R55T22-L26 PolarHBondContact O-N 3.3Å; T22-L26 VanDerWaalsContact O-N 3.1Å; Y23-L26 HydrophobicContact CD2-CD2 4.46Å; Y23-L26 WeakPolarHBondContact O-CA 3.34Å; Y23-L26 WeakPolarHBondContact O-CB 3.37Å; Y23-L26 PolarHBondContact O-N 3.16Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.07Å; L26-Q29 PolarHBondContact O-N 3.09Å; L26-L30 HydrophobicContact CD1-CD1 4.5Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.45Å; L26-R55 VanDerWaalsContact CD1-NH1 3.31Å
27V83.9Confident82.7Confident4 Ų470.8 Ų70.82%0.02437%0.367CS..Hα-helixtrans-64.1-44.1178.2-179.90000110.3Y23 G24 Q29 L30 C31 L44 L133 Y135Y23-V27 HydrophobicContact CD1-CG2 4.19Å; Y23-V27 HydrophobicContact CE1-CG2 3.75Å; Y23-V27 HydrophobicContact CE2-CG2 4.2Å; Y23-V27 WeakPolarHBondContact O-CG2 3.47Å; Y23-V27 PolarHBondContact O-N 3.43Å; G24-V27 PolarHBondContact O-N 2.89Å; V27-Q29 VanDerWaalsContact C-N 3.27Å; V27-Q29 PolarHBondContact O-N 3.14Å; V27-L30 PolarHBondContact O-N 2.96Å; V27-L30 VanDerWaalsContact O-N 3.1Å; V27-C31 PolarHBondContact O-N 3.25Å; V27-C31 PolarHBondContact O-SG 2.74Å; V27-C31 VanDerWaalsContact O-SG 3.35Å; V27-L44 HydrophobicContact CG2-CD1 4.4Å; V27-L44 HydrophobicContact CG2-CD2 4.27Å; V27-L133 HydrophobicContact CG1-CD2 4.17Å; V27-Y135 HydrophobicContact CB-CD2 4.23Å; V27-Y135 HydrophobicContact CB-CE2 3.8Å; V27-Y135 HydrophobicContact CG1-CD2 3.77Å; V27-Y135 HydrophobicContact CG1-CE2 3.82Å; V27-Y135 HydrophobicContact CG2-CD2 4.16Å; V27-Y135 HydrophobicContact CG2-CE2 3.82Å
28T84.9Confident82.6Confident73 Ų7371.7 Ų71.745%0.44837%0.371SS..Hα-helixtrans-58.5-37.8175.7-59.30000112.2G24 K32G24-T28 VanDerWaalsContact O-CB 3.22Å; G24-T28 WeakPolarHBondContact O-CB 3.38Å; G24-T28 PolarHBondContact O-N 3.29Å; G24-T28 PolarHBondContact O-OG1 3.46Å; T28-K32 WeakPolarHBondContact O-CG 3.48Å; T28-K32 PolarHBondContact O-N 3.33Å
29Q82Confident82.3Confident90 Ų9069.5 Ų69.542%0.42136%0.36SS..Hα-helixtrans-68.7-43.6175.7-174.858.340.500110.9A25 L26 V27 C31 K32 D33A25-Q29 WeakPolarHBondContact O-CB 3.46Å; A25-Q29 PolarHBondContact O-N 2.87Å; L26-Q29 PolarHBondContact O-N 3.09Å; V27-Q29 VanDerWaalsContact C-N 3.27Å; V27-Q29 PolarHBondContact O-N 3.14Å; Q29-C31 PolarHBondContact O-N 3.19Å; Q29-K32 WeakPolarHBondContact O-CB 3.37Å; Q29-K32 PolarHBondContact O-N 3.4Å; Q29-K32 VanDerWaalsContact O-N 3.07Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.48Å; Q29-D33 PolarHBondContact NE2-OD1 3.31Å; Q29-D33 PolarHBondContact NE2-OD2 3.47Å; Q29-D33 VanDerWaalsContact O-CG 3.25Å; Q29-D33 PolarHBondContact O-N 2.74Å
30L81.4Confident82.1Confident25 Ų2564.9 Ų64.913%0.13134%0.34CS..Hα-helixtrans-61.6-42.2175.3-67.5170.6000112.3L26 V27 K32 D33 Y34 V40 Q43 L44L26-L30 HydrophobicContact CD1-CD1 4.5Å; L26-L30 HydrophobicContact CG-CD1 4.4Å; L26-L30 WeakPolarHBondContact O-CG 3.39Å; L26-L30 PolarHBondContact O-N 3.45Å; V27-L30 PolarHBondContact O-N 2.96Å; V27-L30 VanDerWaalsContact O-N 3.1Å; L30-K32 PolarHBondContact O-N 2.86Å; L30-D33 PolarHBondContact O-N 3.43Å; L30-D33 VanDerWaalsContact O-N 3.16Å; L30-Y34 HydrophobicContact CD2-CD2 4.31Å; L30-Y34 HydrophobicContact CD2-CE2 3.94Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.11Å; L30-V40 HydrophobicContact CB-CG1 3.88Å; L30-V40 HydrophobicContact CB-CG2 4.36Å; L30-V40 HydrophobicContact CD1-CG1 4.45Å; L30-Q43 HydrophobicContact CD1-CB 4.44Å; L30-Q43 HydrophobicContact CD2-CB 4.19Å; L30-Q43 HydrophobicContact CD2-CG 4.45Å; L30-L44 HydrophobicContact CD1-CD2 3.7Å; L30-L44 HydrophobicContact CD1-CG 4.11Å
31C81.4Confident81.9Confident33 Ų3365.7 Ų65.722%0.22334%0.344CS..Hα-helixtrans-68.2-10.2175.5-60.20000114.2V27 Q29V27-C31 PolarHBondContact O-N 3.25Å; V27-C31 PolarHBondContact O-SG 2.74Å; V27-C31 VanDerWaalsContact O-SG 3.35Å; Q29-C31 PolarHBondContact O-N 3.19Å
32K83.9Confident81.3Confident155 Ų15565.3 Ų65.367%0.67434%0.338SS*.Hα-helixtrans-94.9-32.5169.7-71.7171.4-178.5176.60112.5T28 Q29 L30T28-K32 WeakPolarHBondContact O-CG 3.48Å; T28-K32 PolarHBondContact O-N 3.33Å; Q29-K32 WeakPolarHBondContact O-CB 3.37Å; Q29-K32 PolarHBondContact O-N 3.4Å; Q29-K32 VanDerWaalsContact O-N 3.07Å; L30-K32 PolarHBondContact O-N 2.86Å
33D82.2Confident80.5Confident98 Ų9864.1 Ų64.152%0.52433%0.326SS..Hα-helixtrans-82.2-17.8-178.9-65.4-23.2000112.7Q29 L30Q29-D33 WeakPolarHBondContact CG-OD2 3.48Å; Q29-D33 PolarHBondContact NE2-OD1 3.31Å; Q29-D33 PolarHBondContact NE2-OD2 3.47Å; Q29-D33 VanDerWaalsContact O-CG 3.25Å; Q29-D33 PolarHBondContact O-N 2.74Å; L30-D33 PolarHBondContact O-N 3.43Å; L30-D33 VanDerWaalsContact O-N 3.16Å
34Y78.6Confident79.6Confident81 Ų8164 Ų6432%0.31833%0.326SS..  trans-129.1134.3179.6-65-91.6000111.2L30 N36 D39 Q43L30-Y34 HydrophobicContact CD2-CD2 4.31Å; L30-Y34 HydrophobicContact CD2-CE2 3.94Å; L30-Y34 WeakPolarHBondContact O-CD2 3.31Å; L30-Y34 PolarHBondContact O-N 3.11Å; Y34-N36 VanDerWaalsContact C-N 3.35Å; Y34-D39 HydrophobicContact CD1-CB 3.66Å; Y34-D39 HydrophobicContact CE1-CB 4.32Å; Y34-D39 HydrophobicContact CG-CB 4.28Å; Y34-Q43 HydrophobicContact CE1-CG 4.29Å; Y34-Q43 HydrophobicContact CE2-CG 3.84Å; Y34-Q43 PolarHBondContact OH-NE2 2.73Å
35E76.3Confident78.5Confident193 Ų19365.1 Ų65.190%0.90233%0.329SS*.SBendtrans-77.5-18.2178.9-62.2-178161.300113.5
36N81.3Confident77.5Confident96 Ų9665.7 Ų65.751%0.51332%0.32SS..  trans-121.5132.1-173.9-59-49.3000112.8Y34 E38 D39 V40Y34-N36 VanDerWaalsContact C-N 3.35Å; N36-E38 PolarHBondContact O-N 2.85Å; N36-D39 PolarHBondContact O-N 2.86Å; N36-V40 PolarHBondContact O-N 2.94Å
37D79.2Confident75.7Confident12 Ų1267.2 Ų67.26%0.06433%0.327CS..Hα-helixtrans-52.8-37.4173.6-775.7000113.9D39 V40 N41 H130 S132 L133D37-D39 PolarHBondContact O-N 3Å; D37-V40 PolarHBondContact O-N 2.97Å; D37-N41 WeakPolarHBondContact O-CB 3.47Å; D37-N41 PolarHBondContact O-N 3.12Å; D37-N41 PolarHBondContact O-ND2 3.2Å; D37-H130 IonicContact OD1-CE1 3.18Å; D37-H130 IonicContact OD1-CG 2.72Å; D37-H130 IonicContact OD1-ND1 3.68Å; D37-H130 PolarHBondContact OD1-ND1 3.23Å; D37-H130 WeakPolarHBondContact OD2-CA 3.49Å; D37-S132 WeakPolarHBondContact CB-OG 3.18Å; D37-S132 PolarHBondContact OD2-N 3.14Å; D37-S132 VanDerWaalsContact OD2-N 3.16Å; D37-S132 PolarHBondContact OD2-OG 3.34Å; D37-L133 HydrophobicContact CB-CB 4.38Å; D37-L133 PolarHBondContact OD2-N 2.71Å
38E80.2Confident73.9Confident123 Ų12373.3 Ų73.358%0.57536%0.359SS*.Hα-helixtrans-60.8-36.2178.9-69.7-165.8-177.800112.3N36 N41 K42N36-E38 PolarHBondContact O-N 2.85Å; E38-N41 WeakPolarHBondContact O-CB 3.44Å; E38-N41 PolarHBondContact O-N 3.1Å; E38-K42 WeakPolarHBondContact O-CB 3.39Å; E38-K42 WeakPolarHBondContact O-CD 3.47Å; E38-K42 WeakPolarHBondContact O-CE 3.36Å; E38-K42 WeakPolarHBondContact O-CG 3.19Å; E38-K42 PolarHBondContact O-N 3.3Å; E38-K42 IonicContact OE2-NZ 2.98Å; E38-K42 PolarHBondContact OE2-NZ 2.87Å
39D78.1Confident71.5Confident50 Ų5079 Ų7927%0.26738%0.378SS..Hα-helixtrans-79.2-34.1-178.1-61.7-36.7000110.7Y34 N36 D37 K42 Q43Y34-D39 HydrophobicContact CD1-CB 3.66Å; Y34-D39 HydrophobicContact CE1-CB 4.32Å; Y34-D39 HydrophobicContact CG-CB 4.28Å; N36-D39 PolarHBondContact O-N 2.86Å; D37-D39 PolarHBondContact O-N 3Å; D39-K42 PolarHBondContact O-N 3.03Å; D39-K42 WeakPolarHBondContact OD1-CD 3.24Å; D39-K42 IonicContact OD1-NZ 2.73Å; D39-K42 PolarHBondContact OD1-NZ 3.35Å; D39-Q43 WeakPolarHBondContact O-CG 3.4Å; D39-Q43 PolarHBondContact O-N 3.3Å
40V77.9Confident69.2Low1 Ų179.9 Ų79.91%0.00639%0.394CS..Hα-helixtrans-59.1-48.2166.3-1780000110.6L30 N36 D37 K42 Q43 L44 L133L30-V40 HydrophobicContact CB-CG1 3.88Å; L30-V40 HydrophobicContact CB-CG2 4.36Å; L30-V40 HydrophobicContact CD1-CG1 4.45Å; N36-V40 PolarHBondContact O-N 2.94Å; D37-V40 PolarHBondContact O-N 2.97Å; V40-K42 VanDerWaalsContact C-N 3.34Å; V40-K42 PolarHBondContact O-N 2.82Å; V40-Q43 PolarHBondContact O-N 3.47Å; V40-Q43 VanDerWaalsContact O-N 3.12Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.46Å; V40-L44 WeakPolarHBondContact O-CG 3.22Å; V40-L44 PolarHBondContact O-N 3Å; V40-L133 HydrophobicContact CB-CD1 3.88Å; V40-L133 HydrophobicContact CG1-CD1 3.43Å; V40-L133 VanDerWaalsContact CG1-CD1 3.43Å
41N78.5Confident67.1Low20 Ų2086.2 Ų86.211%0.10743%0.428CS..Hα-helixtrans-56.8-46.2175.9-73-19.9000111.6D37 E38 Q43 L44 D45 S132 I134 N137D37-N41 WeakPolarHBondContact O-CB 3.47Å; D37-N41 PolarHBondContact O-N 3.12Å; D37-N41 PolarHBondContact O-ND2 3.2Å; E38-N41 WeakPolarHBondContact O-CB 3.44Å; E38-N41 PolarHBondContact O-N 3.1Å; N41-Q43 PolarHBondContact O-N 2.95Å; N41-L44 PolarHBondContact O-N 3.28Å; N41-D45 WeakPolarHBondContact O-CB 3.41Å; N41-D45 PolarHBondContact O-N 2.99Å; N41-S132 PolarHBondContact ND2-O 3.29Å; N41-I134 PolarHBondContact OD1-N 2.73Å; N41-N137 PolarHBondContact O-ND2 3.08Å
42K73.8Confident65Low102 Ų10293.9 Ų93.944%0.44346%0.458SS..Hα-helixtrans-61.6-38.3176-70.5159.9-150.21580112E38 D39 V40 K46E38-K42 WeakPolarHBondContact O-CB 3.39Å; E38-K42 WeakPolarHBondContact O-CD 3.47Å; E38-K42 WeakPolarHBondContact O-CE 3.36Å; E38-K42 WeakPolarHBondContact O-CG 3.19Å; E38-K42 PolarHBondContact O-N 3.3Å; E38-K42 IonicContact OE2-NZ 2.98Å; E38-K42 PolarHBondContact OE2-NZ 2.87Å; D39-K42 PolarHBondContact O-N 3.03Å; D39-K42 WeakPolarHBondContact OD1-CD 3.24Å; D39-K42 IonicContact OD1-NZ 2.73Å; D39-K42 PolarHBondContact OD1-NZ 3.35Å; V40-K42 VanDerWaalsContact C-N 3.34Å; V40-K42 PolarHBondContact O-N 2.82Å; K42-K46 VanDerWaalsContact O-CA 3.24Å; K42-K46 WeakPolarHBondContact O-CA 3.22Å; K42-K46 WeakPolarHBondContact O-CB 3.35Å; K42-K46 PolarHBondContact O-N 2.9Å
43Q67.5Low63.1Low59 Ų5993.1 Ų93.128%0.27646%0.461SS..Hα-helixtrans-72.3-33.2176.6-65.2-52.5-31.900113.4L30 Y34 D39 V40 N41L30-Q43 HydrophobicContact CD1-CB 4.44Å; L30-Q43 HydrophobicContact CD2-CB 4.19Å; L30-Q43 HydrophobicContact CD2-CG 4.45Å; Y34-Q43 HydrophobicContact CE1-CG 4.29Å; Y34-Q43 HydrophobicContact CE2-CG 3.84Å; Y34-Q43 PolarHBondContact OH-NE2 2.73Å; D39-Q43 WeakPolarHBondContact O-CG 3.4Å; D39-Q43 PolarHBondContact O-N 3.3Å; V40-Q43 PolarHBondContact O-N 3.47Å; V40-Q43 VanDerWaalsContact O-N 3.12Å; N41-Q43 PolarHBondContact O-N 2.95Å
44L66.6Low61.5Low5 Ų590.1 Ų90.13%0.02645%0.446CS..Hα-helixtrans-70.5-35.6174.9-68174.5000112.1Y23 V27 L30 V40 N41 N137Y23-L44 HydrophobicContact CE2-CD2 4.27Å; V27-L44 HydrophobicContact CG2-CD1 4.4Å; V27-L44 HydrophobicContact CG2-CD2 4.27Å; L30-L44 HydrophobicContact CD1-CD2 3.7Å; L30-L44 HydrophobicContact CD1-CG 4.11Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.46Å; V40-L44 WeakPolarHBondContact O-CG 3.22Å; V40-L44 PolarHBondContact O-N 3Å; N41-L44 PolarHBondContact O-N 3.28Å; L44-N137 HydrophobicContact CB-CB 3.94Å; L44-N137 HydrophobicContact CD1-CB 4.49Å
45D62.3Low60.3Low39 Ų3994.3 Ų94.321%0.20946%0.462CS..Hα-helixtrans-88.8-40.8-174.2-158.855.1000114.4N41 N137 R144N41-D45 WeakPolarHBondContact O-CB 3.41Å; N41-D45 PolarHBondContact O-N 2.99Å; D45-N137 WeakPolarHBondContact CB-ND2 3.46Å; D45-R144 PolarHBondContact O-NH2 2.92Å; D45-R144 IonicContact OD1-CZ 3.24Å; D45-R144 IonicContact OD1-NH1 2.86Å; D45-R144 PolarHBondContact OD1-NH1 2.85Å; D45-R144 IonicContact OD1-NH2 3.99Å; D45-R144 PolarHBondContact OD1-NH2 3.4Å; D45-R144 IonicContact OD2-CZ 2.73Å; D45-R144 IonicContact OD2-NH1 3.45Å; D45-R144 PolarHBondContact OD2-NH1 3.04Å; D45-R144 IonicContact OD2-NH2 2.94Å; D45-R144 PolarHBondContact OD2-NH2 3.15Å
46K64.6Low59.1Low72 Ų7285.2 Ų85.231%0.31342%0.42SS..  trans9.797-174.3-156.9159.5179.1179.10120K42 P54K42-K46 VanDerWaalsContact O-CA 3.24Å; K42-K46 WeakPolarHBondContact O-CA 3.22Å; K42-K46 WeakPolarHBondContact O-CB 3.35Å; K42-K46 PolarHBondContact O-N 2.9Å; K46-P54 HydrophobicContact CB-CB 4.2Å; K46-P54 HydrophobicContact CD-CB 3.88Å; K46-P54 HydrophobicContact CG-CB 3.99Å
47I45.7Very low57.9Low80 Ų8082.2 Ų82.241%0.4140%0.402SS..  trans-134.4139152.1-58.6180000103.8F57 R144I47-F57 HydrophobicContact CD1-CD2 3.78Å; I47-F57 HydrophobicContact CD1-CE2 4.17Å; I47-F57 HydrophobicContact CG1-CB 4.46Å; I47-F57 HydrophobicContact CG1-CD2 3.96Å; I47-F57 HydrophobicContact CG1-CG 4.37Å; I47-R144 HydrophobicContact CD1-CB 4.28Å
48L45.2Very low57.3Low133 Ų13384.4 Ų84.470%0.69641%0.414SS*.SBendcis-141.3-154.817.2-137.8172.4000109.9S50L48-S50 PolarHBondContact O-N 3.39Å
49F35.8Very low57.2Low193 Ų19382.1 Ų82.185%0.84641%0.405SS*.SBendtrans40.265.2160.9-75.6-74000119.5
50S32.1Very low57.1Low108 Ų10879.7 Ų79.776%0.75539%0.392SS*.  -167.7148.4123.9-178.70000109.5L48L48-S50 PolarHBondContact O-N 3.39Å
51N37.2Very low57.1Low158 Ų15881.1 Ų81.185%0.84540%0.4SS*.SBendtrans-53.3149.6160.4-70.9-66.6000110
52F38.1Very low57.2Low194 Ų19489.3 Ų89.385%0.85143%0.43SS*.SBendtrans89.284.4-179.6-134.9-104.1000117.1
53L44.2Very low57.7Low139 Ų13986.7 Ų86.773%0.72842%0.42SS*.  trans68.382.4143.1-130.577.1000120.4
54P48.6Very low58.5Low34 Ų3484.7 Ų84.722%0.22141%0.411CS..  trans-94.8167157.634.3-34.3000113.5K46 N58K46-P54 HydrophobicContact CB-CB 4.2Å; K46-P54 HydrophobicContact CD-CB 3.88Å; K46-P54 HydrophobicContact CG-CB 3.99Å; P54-N58 VanDerWaalsContact CD-ND2 3.35Å; P54-N58 WeakPolarHBondContact CD-ND2 3.2Å; P54-N58 WeakPolarHBondContact O-CB 3.46Å; P54-N58 PolarHBondContact O-ND2 2.82Å
55R52.4Low59.3Low169 Ų16990.8 Ų90.864%0.63844%0.44SS*.SBendtrans-105.7-58.5179.6-67.2-175.1-174.9174.34.3114.5L26 N58 I59L26-R55 VanDerWaalsContact CD1-NH1 3.31Å; R55-N58 CarbonylContact O-C 3.58Å; R55-N58 PolarHBondContact O-N 2.86Å; R55-I59 HydrophobicContact CB-CD1 4.49Å; R55-I59 WeakPolarHBondContact O-CD1 3.28Å; R55-I59 WeakPolarHBondContact O-CG1 3.42Å; R55-I59 PolarHBondContact O-N 2.89Å
56G51.8Low60.4Low2 Ų291.8 Ų91.82%0.02145%0.445CS..Hα-helixtrans-61.2-57.2-170.300000115.5N58 I59 G60 L138G56-N58 VanDerWaalsContact C-N 3.32Å; G56-N58 PolarHBondContact O-N 2.73Å; G56-I59 WeakPolarHBondContact O-CB 3.36Å; G56-I59 PolarHBondContact O-N 2.94Å; G56-I59 VanDerWaalsContact O-N 3.1Å; G56-G60 PolarHBondContact O-N 2.97Å; G56-L138 VanDerWaalsContact CA-CD1 3.45Å
57F55.7Low61.5Low34 Ų3489.1 Ų89.115%0.14943%0.433CS..Hα-helixtrans-55.6-45.2174177.3-94.9000112.2I47 I59 G60 V61 E148I47-F57 HydrophobicContact CD1-CD2 3.78Å; I47-F57 HydrophobicContact CD1-CE2 4.17Å; I47-F57 HydrophobicContact CG1-CB 4.46Å; I47-F57 HydrophobicContact CG1-CD2 3.96Å; I47-F57 HydrophobicContact CG1-CG 4.37Å; F57-I59 VanDerWaalsContact C-N 3.31Å; F57-I59 PolarHBondContact O-N 2.83Å; F57-G60 WeakPolarHBondContact O-CA 3.1Å; F57-G60 PolarHBondContact O-N 2.81Å; F57-G60 VanDerWaalsContact O-N 3.08Å; F57-V61 HydrophobicContact CD1-CG2 3.93Å; F57-V61 HydrophobicContact CE1-CG2 3.56Å; F57-V61 HydrophobicContact CE2-CG2 4.39Å; F57-V61 HydrophobicContact CG-CG2 4.49Å; F57-V61 HydrophobicContact CZ-CG2 3.81Å; F57-V61 WeakPolarHBondContact O-CG2 3.4Å; F57-V61 PolarHBondContact O-N 2.78Å; F57-E148 HydrophobicContact CE2-CB 4.28Å; F57-E148 WeakPolarHBondContact CE2-OE2 3.46Å; F57-E148 HydrophobicContact CZ-CG 4.5Å; F57-E148 WeakPolarHBondContact CZ-OE1 3.45Å
58N66.6Low63.4Low57 Ų5789 Ų8931%0.30543%0.434SS..Hα-helixtrans-65.7-29.4176.8-81.6-9.3000113.7P54 R55 G56 R62P54-N58 VanDerWaalsContact CD-ND2 3.35Å; P54-N58 WeakPolarHBondContact CD-ND2 3.2Å; P54-N58 WeakPolarHBondContact O-CB 3.46Å; P54-N58 PolarHBondContact O-ND2 2.82Å; R55-N58 CarbonylContact O-C 3.58Å; R55-N58 PolarHBondContact O-N 2.86Å; G56-N58 VanDerWaalsContact C-N 3.32Å; G56-N58 PolarHBondContact O-N 2.73Å; N58-R62 WeakPolarHBondContact O-CB 3.29Å; N58-R62 VanDerWaalsContact O-CG 3.24Å; N58-R62 WeakPolarHBondContact O-CG 3.39Å; N58-R62 PolarHBondContact O-N 2.5Å; N58-R62 VanDerWaalsContact O-N 3.17Å
59I78.6Confident65.2Low75 Ų7586.9 Ų86.939%0.38544%0.435SS..Hα-helixtrans-64.8-52.1168.9-71.9158.8000107.7R55 G56 F57 V61 R62 L63 L138 V142R55-I59 HydrophobicContact CB-CD1 4.49Å; R55-I59 WeakPolarHBondContact O-CD1 3.28Å; R55-I59 WeakPolarHBondContact O-CG1 3.42Å; R55-I59 PolarHBondContact O-N 2.89Å; G56-I59 WeakPolarHBondContact O-CB 3.36Å; G56-I59 PolarHBondContact O-N 2.94Å; G56-I59 VanDerWaalsContact O-N 3.1Å; F57-I59 VanDerWaalsContact C-N 3.31Å; F57-I59 PolarHBondContact O-N 2.83Å; I59-V61 PolarHBondContact O-N 2.9Å; I59-R62 PolarHBondContact O-N 2.92Å; I59-R62 VanDerWaalsContact O-N 3.11Å; I59-L63 WeakPolarHBondContact O-CB 3.26Å; I59-L63 PolarHBondContact O-N 2.88Å; I59-L138 HydrophobicContact CD1-CD1 4.29Å; I59-V142 HydrophobicContact CB-CG2 4.13Å; I59-V142 HydrophobicContact CG2-CG2 3.82Å
60G75.3Confident67.5Low0 Ų082.3 Ų82.30%041%0.412CS..Hα-helixtrans-52.1-49.5175.700000113.9G56 F57 R62 L63 I64 V142G56-G60 PolarHBondContact O-N 2.97Å; F57-G60 WeakPolarHBondContact O-CA 3.1Å; F57-G60 PolarHBondContact O-N 2.81Å; F57-G60 VanDerWaalsContact O-N 3.08Å; G60-R62 VanDerWaalsContact C-N 3.28Å; G60-R62 PolarHBondContact O-N 3.25Å; G60-L63 PolarHBondContact O-N 2.86Å; G60-I64 PolarHBondContact O-N 3.04Å; G60-V142 WeakPolarHBondContact CA-O 3.44Å
61V78.1Confident69.7Low30 Ų3078.3 Ų78.318%0.18238%0.384CS..Hα-helixtrans-60.3-31.4178.5167.10000113.4F57 I59 I64 M149F57-V61 HydrophobicContact CD1-CG2 3.93Å; F57-V61 HydrophobicContact CE1-CG2 3.56Å; F57-V61 HydrophobicContact CE2-CG2 4.39Å; F57-V61 HydrophobicContact CG-CG2 4.49Å; F57-V61 HydrophobicContact CZ-CG2 3.81Å; F57-V61 WeakPolarHBondContact O-CG2 3.4Å; F57-V61 PolarHBondContact O-N 2.78Å; I59-V61 PolarHBondContact O-N 2.9Å; V61-I64 VanDerWaalsContact O-CG2 3.27Å; V61-I64 WeakPolarHBondContact O-CG2 3.45Å; V61-M149 HydrophobicContact CB-CG 4.11Å; V61-M149 HydrophobicContact CB-SD 4.48Å; V61-M149 HydrophobicContact CG1-CE 4.29Å; V61-M149 HydrophobicContact CG1-CG 4.02Å; V61-M149 HydrophobicContact CG1-SD 3.82Å; V61-M149 HydrophobicContact CG2-CG 3.88Å; V61-M149 HydrophobicContact CG2-SD 4.22Å
62R81.8Confident71.5Confident193 Ų19378.4 Ų78.473%0.72839%0.385SS*.Hα-helixtrans-93.6-25.4177.4-63.6177.479.2-179.47.4112.8N58 I59 G60N58-R62 WeakPolarHBondContact O-CB 3.29Å; N58-R62 VanDerWaalsContact O-CG 3.24Å; N58-R62 WeakPolarHBondContact O-CG 3.39Å; N58-R62 PolarHBondContact O-N 2.5Å; N58-R62 VanDerWaalsContact O-N 3.17Å; I59-R62 PolarHBondContact O-N 2.92Å; I59-R62 VanDerWaalsContact O-N 3.11Å; G60-R62 VanDerWaalsContact C-N 3.28Å; G60-R62 PolarHBondContact O-N 3.25Å
63L82.9Confident73.6Confident46 Ų4670.9 Ų70.924%0.24135%0.354CS..Hα-helixtrans-75.9-32.9-179.2-16769.8000111.2I59 G60 E65 D66 F67 Y94 V142I59-L63 WeakPolarHBondContact O-CB 3.26Å; I59-L63 PolarHBondContact O-N 2.88Å; G60-L63 PolarHBondContact O-N 2.86Å; L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 3.01Å; L63-D66 PolarHBondContact O-N 2.97Å; L63-F67 WeakPolarHBondContact O-CB 3.46Å; L63-F67 PolarHBondContact O-N 3.29Å; L63-Y94 HydrophobicContact CD1-CD1 3.91Å; L63-Y94 HydrophobicContact CD1-CE1 3.45Å; L63-Y94 VanDerWaalsContact CD1-CE1 3.45Å; L63-Y94 HydrophobicContact CD1-CE2 4.1Å; L63-Y94 HydrophobicContact CD1-CG 4.44Å; L63-Y94 HydrophobicContact CD2-CD2 3.91Å; L63-Y94 HydrophobicContact CD2-CE2 3.89Å; L63-Y94 HydrophobicContact CD2-CG 4.25Å; L63-Y94 HydrophobicContact CG-CD2 4.28Å; L63-Y94 HydrophobicContact CG-CE1 4.08Å; L63-Y94 HydrophobicContact CG-CE2 3.78Å; L63-Y94 PolarHBondContact O-OH 3.27Å; L63-V142 HydrophobicContact CD2-CG1 3.88Å
64I84.9Confident75.1Confident18 Ų1867 Ų679%0.09235%0.347CS..Hα-helixtrans-61.9-32.1176-169.461.1000112.7G60 V61 F67 L68 A146 M149 V150G60-I64 PolarHBondContact O-N 3.04Å; V61-I64 VanDerWaalsContact O-CG2 3.27Å; V61-I64 WeakPolarHBondContact O-CG2 3.45Å; I64-F67 HydrophobicContact CD1-CD1 4.1Å; I64-F67 PolarHBondContact O-N 3.34Å; I64-L68 HydrophobicContact CD1-CD1 4.37Å; I64-L68 HydrophobicContact CD1-CG 4.16Å; I64-L68 HydrophobicContact CG1-CD1 4.04Å; I64-L68 HydrophobicContact CG1-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.4Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.31Å; I64-L68 PolarHBondContact O-N 3.04Å; I64-A146 HydrophobicContact CB-CB 4.2Å; I64-A146 HydrophobicContact CD1-CB 4.41Å; I64-M149 HydrophobicContact CG1-CB 4.47Å; I64-M149 HydrophobicContact CG2-CB 3.69Å; I64-M149 HydrophobicContact CG2-CG 3.91Å; I64-V150 HydrophobicContact CD1-CG1 4.1Å; I64-V150 HydrophobicContact CG1-CG1 4.07Å
65E83.3Confident76.3Confident133 Ų13373.5 Ų73.562%0.62137%0.368SS*.Hα-helixtrans-65-48.3173.9-62-176155.400111.5L63 F67 A69L63-E65 VanDerWaalsContact C-N 3.27Å; L63-E65 PolarHBondContact O-N 3.01Å; E65-F67 VanDerWaalsContact C-N 3.32Å; E65-F67 PolarHBondContact O-N 2.75Å; E65-A69 VanDerWaalsContact O-CB 3.26Å; E65-A69 WeakPolarHBondContact O-CB 3.43Å; E65-A69 PolarHBondContact O-N 2.99Å
66D85.4Confident77.6Confident60 Ų6066.4 Ų66.432%0.32134%0.344SS..Hα-helixtrans-61.1-41.4173.3176.781.8000111.4L63 A69 R70 Y94L63-D66 PolarHBondContact O-N 2.97Å; D66-A69 PolarHBondContact O-N 3.02Å; D66-R70 VanDerWaalsContact O-CB 3.31Å; D66-R70 WeakPolarHBondContact O-CB 3.31Å; D66-R70 WeakPolarHBondContact O-CD 3.48Å; D66-R70 VanDerWaalsContact O-CG 3.29Å; D66-R70 WeakPolarHBondContact O-CG 3.43Å; D66-R70 PolarHBondContact O-N 3.44Å; D66-R70 WeakPolarHBondContact OD1-CD 3.37Å; D66-R70 IonicContact OD1-NE 3.2Å; D66-R70 IonicContact OD1-NH1 3.42Å; D66-R70 IonicContact OD2-CZ 3.34Å; D66-R70 IonicContact OD2-NH1 2.75Å; D66-R70 PolarHBondContact OD2-NH1 2.98Å; D66-Y94 WeakPolarHBondContact OD2-CE1 3.38Å; D66-Y94 PolarHBondContact OD2-OH 2.83Å
67F86.9Confident78.8Confident15 Ų1573.2 Ų73.27%0.06638%0.375CS..Hα-helixtrans-62.9-50.7179.5-177.6-102.2000111.6L63 I64 E65 A69 R70 S71 V73 V85 V89 A90 M93 Y94L63-F67 WeakPolarHBondContact O-CB 3.46Å; L63-F67 PolarHBondContact O-N 3.29Å; I64-F67 HydrophobicContact CD1-CD1 4.1Å; I64-F67 PolarHBondContact O-N 3.34Å; E65-F67 VanDerWaalsContact C-N 3.32Å; E65-F67 PolarHBondContact O-N 2.75Å; F67-A69 VanDerWaalsContact C-N 3.35Å; F67-A69 PolarHBondContact O-N 3Å; F67-R70 PolarHBondContact O-N 3.14Å; F67-S71 WeakPolarHBondContact O-CB 3.38Å; F67-S71 PolarHBondContact O-N 3.26Å; F67-S71 PolarHBondContact O-OG 2.89Å; F67-V73 HydrophobicContact CZ-CG2 4.5Å; F67-V85 HydrophobicContact CE1-CG1 3.79Å; F67-V85 HydrophobicContact CZ-CG1 3.6Å; F67-V89 HydrophobicContact CE2-CB 4.18Å; F67-V89 HydrophobicContact CE2-CG1 3.81Å; F67-V89 HydrophobicContact CZ-CB 4.1Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; F67-A90 HydrophobicContact CD2-CB 4.2Å; F67-A90 HydrophobicContact CE2-CB 3.71Å; F67-A90 HydrophobicContact CZ-CB 4.18Å; F67-M93 HydrophobicContact CD2-CE 4.43Å; F67-M93 HydrophobicContact CD2-SD 4.27Å; F67-M93 HydrophobicContact CE2-CE 4.44Å; F67-Y94 VanDerWaalsContact CA-OH 3.29Å; F67-Y94 WeakPolarHBondContact CA-OH 3.35Å; F67-Y94 HydrophobicContact CB-CE2 4.26Å; F67-Y94 WeakPolarHBondContact CB-OH 3.19Å; F67-Y94 AromaticContact CD2-CE2 3.86Å; F67-Y94 HydrophobicContact CD2-CE2 3.86Å; F67-Y94 HydrophobicContact CG-CE2 4.49Å; F67-Y94 PolarHBondContact N-OH 2.86Å
68L85.7Confident80.2Confident79 Ų7976.9 Ų76.941%0.41440%0.396SS..Hα-helixtrans-65.4-38.6179.8-69.6173.2000111.5I64 R70 V150I64-L68 HydrophobicContact CD1-CD1 4.37Å; I64-L68 HydrophobicContact CD1-CG 4.16Å; I64-L68 HydrophobicContact CG1-CD1 4.04Å; I64-L68 HydrophobicContact CG1-CG 4.27Å; I64-L68 WeakPolarHBondContact O-CB 3.4Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.31Å; I64-L68 PolarHBondContact O-N 3.04Å; L68-R70 PolarHBondContact O-N 2.96Å; L68-V150 HydrophobicContact CD1-CG1 4.38Å
69A84.8Confident81.2Confident88 Ų8875 Ų7573%0.72739%0.385SS*.Hα-helixtrans-65.3-21177.100000114.2E65 D66 F67E65-A69 VanDerWaalsContact O-CB 3.26Å; E65-A69 WeakPolarHBondContact O-CB 3.43Å; E65-A69 PolarHBondContact O-N 2.99Å; D66-A69 PolarHBondContact O-N 3.02Å; F67-A69 VanDerWaalsContact C-N 3.35Å; F67-A69 PolarHBondContact O-N 3Å
70R83.1Confident81.7Confident97 Ų9777.5 Ų77.537%0.36639%0.39SS..Hα-helixtrans-122.1-25.4-170-65.1173.457.9-124.2-14.3115.6S11 D66 F67 L68 M93S11-R70 PolarHBondContact OG-NE 2.58Å; S11-R70 PolarHBondContact OG-NH1 3.37Å; S11-R70 PolarHBondContact OG-NH2 2.72Å; S11-R70 VanDerWaalsContact OG-NH2 3.1Å; D66-R70 VanDerWaalsContact O-CB 3.31Å; D66-R70 WeakPolarHBondContact O-CB 3.31Å; D66-R70 WeakPolarHBondContact O-CD 3.48Å; D66-R70 VanDerWaalsContact O-CG 3.29Å; D66-R70 WeakPolarHBondContact O-CG 3.43Å; D66-R70 PolarHBondContact O-N 3.44Å; D66-R70 WeakPolarHBondContact OD1-CD 3.37Å; D66-R70 IonicContact OD1-NE 3.2Å; D66-R70 IonicContact OD1-NH1 3.42Å; D66-R70 IonicContact OD2-CZ 3.34Å; D66-R70 IonicContact OD2-NH1 2.75Å; D66-R70 PolarHBondContact OD2-NH1 2.98Å; F67-R70 PolarHBondContact O-N 3.14Å; L68-R70 PolarHBondContact O-N 2.96Å; R70-M93 PolarHBondContact NH1-SD 2.75Å
71S78.1Confident82.4Confident23 Ų2381.4 Ų81.416%0.16141%0.408CS..Hα-helixtrans-79.8-20.6178.864.50000112.9F67 V73F67-S71 WeakPolarHBondContact O-CB 3.38Å; F67-S71 PolarHBondContact O-N 3.26Å; F67-S71 PolarHBondContact O-OG 2.89Å; S71-V73 PolarHBondContact O-N 3.45Å; S71-V73 WeakPolarHBondContact OG-CB 3.38Å; S71-V73 PolarHBondContact OG-N 2.88Å
72N75.9Confident83Confident161 Ų16180.2 Ų80.286%0.86140%0.401SS*.  trans56.123.5-172.7-152.845.4000113.1
73V81Confident83.5Confident36 Ų3671 Ų7122%0.21837%0.366CS..  trans-79.2132.8178.8171.20000109.4F67 S71 V85F67-V73 HydrophobicContact CZ-CG2 4.5Å; S71-V73 PolarHBondContact O-N 3.45Å; S71-V73 WeakPolarHBondContact OG-CB 3.38Å; S71-V73 PolarHBondContact OG-N 2.88Å; V73-V85 HydrophobicContact CG1-CG1 4.03Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG1 4.29Å
74G75.5Confident83.9Confident56 Ų5671.9 Ų71.958%0.57737%0.371SS*.  trans-73-178.8174.500000112.8C76G74-C76 PolarHBondContact O-N 3.39Å; G74-C76 VanDerWaalsContact O-N 3.14Å
75R75.1Confident84.3Confident172 Ų17272.1 Ų72.165%0.64937%0.373SS*.  trans-69.7111.1174.2-161.4-176.6-157.8165.26.1108.8H77R75-H77 PolarHBondContact O-N 2.94Å
76C78.7Confident84.8Confident20 Ų2066.4 Ų66.414%0.13535%0.347CS..  trans-59136.4179.4-53.30000110.8G74 E81 T82G74-C76 PolarHBondContact O-N 3.39Å; G74-C76 VanDerWaalsContact O-N 3.14Å; C76-E81 VanDerWaalsContact CA-OE2 3.29Å; C76-E81 WeakPolarHBondContact CA-OE2 3.31Å; C76-E81 HydrophobicContact CB-CG 4.34Å; C76-T82 WeakPolarHBondContact CB-OG1 3.14Å
77H77.4Confident85.1Confident144 Ų14463.6 Ų63.667%0.66733%0.332SS*.  trans-88.9-42.2-177.7-68.6-79.6000111.6R75 E81R75-H77 PolarHBondContact O-N 2.94Å; H77-E81 PolarHBondContact N-OE2 3.33Å
78D84.4Confident85.4Confident112 Ų11268.5 Ų68.560%0.59935%0.353SS*.SBendtrans-120.4156.4-174.7-67.6-48.6000113R80 E81 T82D78-R80 PolarHBondContact O-N 3.12Å; D78-E81 PolarHBondContact O-N 3.08Å; D78-T82 PolarHBondContact O-N 3.5Å; D78-T82 PolarHBondContact O-OG1 3.46Å
79F87.8Confident85.6Confident18 Ų1867 Ų678%0.07935%0.347CS..Hα-helixtrans-65.6-26.7176-161.8-131.9000112.5T82 A83 W104 D109 F111 V154 M173 F175F79-T82 WeakPolarHBondContact O-CB 3.49Å; F79-T82 PolarHBondContact O-N 3.04Å; F79-A83 WeakPolarHBondContact O-CB 3.46Å; F79-A83 PolarHBondContact O-N 3.42Å; F79-W104 HydrophobicContact CD1-CH2 4.32Å; F79-W104 HydrophobicContact CD1-CZ3 4.07Å; F79-D109 WeakPolarHBondContact CE1-O 3.46Å; F79-F111 AromaticContact CD1-CD1 3.85Å; F79-F111 HydrophobicContact CD1-CD1 3.85Å; F79-F111 AromaticContact CD1-CE1 3.84Å; F79-F111 HydrophobicContact CD1-CE1 3.84Å; F79-F111 HydrophobicContact CD2-CE1 4.37Å; F79-F111 AromaticContact CE1-CD1 3.41Å; F79-F111 HydrophobicContact CE1-CD1 3.41Å; F79-F111 VanDerWaalsContact CE1-CD1 3.41Å; F79-F111 AromaticContact CE1-CE1 3.32Å; F79-F111 HydrophobicContact CE1-CE1 3.32Å; F79-F111 AromaticContact CE2-CE1 3.9Å; F79-F111 HydrophobicContact CE2-CE1 3.9Å; F79-F111 HydrophobicContact CG-CE1 4.34Å; F79-F111 AromaticContact CZ-CD1 3.95Å; F79-F111 HydrophobicContact CZ-CD1 3.95Å; F79-F111 AromaticContact CZ-CE1 3.37Å; F79-F111 HydrophobicContact CZ-CE1 3.37Å; F79-F111 HydrophobicContact CZ-CZ 4.33Å; F79-V154 HydrophobicContact CE2-CG1 3.83Å; F79-V154 HydrophobicContact CZ-CG1 4.2Å; F79-M173 HydrophobicContact CZ-CB 4.33Å; F79-F175 HydrophobicContact CD1-CB 3.91Å; F79-F175 HydrophobicContact CD2-CB 4.3Å; F79-F175 HydrophobicContact CD2-CD2 4.26Å; F79-F175 HydrophobicContact CE1-CB 3.8Å; F79-F175 HydrophobicContact CE2-CB 4.22Å; F79-F175 HydrophobicContact CE2-CD2 4.5Å; F79-F175 HydrophobicContact CG-CB 4.16Å; F79-F175 HydrophobicContact CZ-CB 3.96Å
80R89.3Confident85.9Confident126 Ų12663.8 Ų63.848%0.47532%0.32SS..Hα-helixtrans-66.5-45173.3-68-177.4-179.9-78.2-3.7112.9D78 T82 A83 D84 W104D78-R80 PolarHBondContact O-N 3.12Å; R80-T82 VanDerWaalsContact C-N 3.33Å; R80-A83 PolarHBondContact O-N 2.9Å; R80-D84 PolarHBondContact O-N 2.93Å; R80-W104 HydrophobicContact CB-CH2 4.14Å; R80-W104 HydrophobicContact CB-CZ2 4.27Å; R80-W104 HydrophobicContact CG-CE3 4.26Å; R80-W104 HydrophobicContact CG-CH2 3.64Å; R80-W104 HydrophobicContact CG-CZ2 3.91Å; R80-W104 HydrophobicContact CG-CZ3 3.81Å; R80-W104 VanDerWaalsContact NH1-CG 3.32Å
81E90.4Very high86.3Confident82 Ų8259.7 Ų59.738%0.38331%0.305SS..Hα-helixtrans-63.2-43.6173.9-177.8-177.1-156.900110.5C76 H77 D78 A83 D84 V85C76-E81 VanDerWaalsContact CA-OE2 3.29Å; C76-E81 WeakPolarHBondContact CA-OE2 3.31Å; C76-E81 HydrophobicContact CB-CG 4.34Å; H77-E81 PolarHBondContact N-OE2 3.33Å; D78-E81 PolarHBondContact O-N 3.08Å; E81-A83 PolarHBondContact O-N 2.89Å; E81-D84 WeakPolarHBondContact O-CB 3.23Å; E81-D84 PolarHBondContact O-N 3.07Å; E81-D84 VanDerWaalsContact O-N 3.15Å; E81-V85 WeakPolarHBondContact O-CG2 3.22Å; E81-V85 PolarHBondContact O-N 2.8Å
82T90.6Very high86.8Confident5 Ų564.1 Ų64.13%0.03132%0.322CS..Hα-helixtrans-57.3-45.5176.7-54.80000112C76 D78 F79 R80 D84 V85 I86 L147 M152C76-T82 WeakPolarHBondContact CB-OG1 3.14Å; D78-T82 PolarHBondContact O-N 3.5Å; D78-T82 PolarHBondContact O-OG1 3.46Å; F79-T82 WeakPolarHBondContact O-CB 3.49Å; F79-T82 PolarHBondContact O-N 3.04Å; R80-T82 VanDerWaalsContact C-N 3.33Å; T82-D84 VanDerWaalsContact C-N 3.35Å; T82-D84 PolarHBondContact O-N 3.04Å; T82-V85 PolarHBondContact O-N 3.35Å; T82-I86 HydrophobicContact CG2-CD1 4.01Å; T82-I86 WeakPolarHBondContact O-CD1 3.17Å; T82-I86 VanDerWaalsContact O-CG1 3.25Å; T82-I86 WeakPolarHBondContact O-CG1 3.38Å; T82-I86 PolarHBondContact O-N 3.15Å; T82-L147 HydrophobicContact CG2-CD2 3.43Å; T82-L147 VanDerWaalsContact CG2-CD2 3.43Å; T82-M152 HydrophobicContact CG2-CE 3.67Å; T82-M152 HydrophobicContact CG2-SD 4.24Å
83A92.8Very high87.3Confident0 Ų059.3 Ų59.30%030%0.295CS..Hα-helixtrans-58.7-45.7175.200000112.1F79 R80 E81 I86 A87 I101 W104 F111F79-A83 WeakPolarHBondContact O-CB 3.46Å; F79-A83 PolarHBondContact O-N 3.42Å; R80-A83 PolarHBondContact O-N 2.9Å; E81-A83 PolarHBondContact O-N 2.89Å; A83-I86 PolarHBondContact O-N 2.83Å; A83-A87 WeakPolarHBondContact O-CB 3.18Å; A83-A87 PolarHBondContact O-N 3.34Å; A83-I101 VanDerWaalsContact C-CD1 3.49Å; A83-I101 HydrophobicContact CB-CD1 3.93Å; A83-I101 HydrophobicContact CB-CG2 4.37Å; A83-I101 WeakPolarHBondContact O-CD1 3.25Å; A83-W104 HydrophobicContact CB-CH2 3.86Å; A83-W104 HydrophobicContact CB-CZ2 3.63Å; A83-F111 HydrophobicContact CB-CD1 3.95Å; A83-F111 HydrophobicContact CB-CD2 4.06Å; A83-F111 HydrophobicContact CB-CE1 3.49Å; A83-F111 VanDerWaalsContact CB-CE1 3.49Å; A83-F111 HydrophobicContact CB-CE2 3.62Å; A83-F111 HydrophobicContact CB-CG 4.21Å; A83-F111 HydrophobicContact CB-CZ 3.33Å
84D92.1Very high87.6Confident65 Ų6561.1 Ų61.135%0.34830%0.298SS..Hα-helixtrans-63.7-42.5179.9-117.211.8000112R80 E81 T82 K88 I101R80-D84 PolarHBondContact O-N 2.93Å; E81-D84 WeakPolarHBondContact O-CB 3.23Å; E81-D84 PolarHBondContact O-N 3.07Å; E81-D84 VanDerWaalsContact O-N 3.15Å; T82-D84 VanDerWaalsContact C-N 3.35Å; T82-D84 PolarHBondContact O-N 3.04Å; D84-K88 HydrophobicContact CB-CD 4.47Å; D84-K88 VanDerWaalsContact O-CB 3.25Å; D84-K88 WeakPolarHBondContact O-CB 3.45Å; D84-K88 PolarHBondContact O-N 2.87Å; D84-K88 WeakPolarHBondContact OD1-CE 3.49Å; D84-K88 IonicContact OD1-NZ 3.99Å; D84-K88 PolarHBondContact OD1-NZ 2.88Å; D84-K88 IonicContact OD2-NZ 3.69Å; D84-K88 PolarHBondContact OD2-NZ 2.75Å; D84-I101 HydrophobicContact CB-CD1 4.5Å; D84-I101 WeakPolarHBondContact OD1-CD1 3.4Å
85V93.1Very high88.1Confident22 Ų2259.9 Ų59.913%0.13328%0.278CS..Hα-helixtrans-61.6-45174.1169.50000111.2F67 V73 E81 T82 V89 A90F67-V85 HydrophobicContact CE1-CG1 3.79Å; F67-V85 HydrophobicContact CZ-CG1 3.6Å; V73-V85 HydrophobicContact CG1-CG1 4.03Å; V73-V85 HydrophobicContact CG1-CG2 3.99Å; V73-V85 HydrophobicContact CG2-CG1 4.29Å; E81-V85 WeakPolarHBondContact O-CG2 3.22Å; E81-V85 PolarHBondContact O-N 2.8Å; T82-V85 PolarHBondContact O-N 3.35Å; V85-V89 WeakPolarHBondContact O-CA 3.34Å; V85-V89 VanDerWaalsContact O-CB 3.24Å; V85-V89 WeakPolarHBondContact O-CB 3.46Å; V85-V89 PolarHBondContact O-N 3.37Å; V85-A90 PolarHBondContact O-N 2.97Å
86I92.3Very high88.7Confident13 Ų1353.6 Ų53.67%0.06727%0.267CS..Iπ-helixtrans-59.3-55177.4-71.3162.5000110.3T82 A83 A90 F91 L113 L143 L147T82-I86 HydrophobicContact CG2-CD1 4.01Å; T82-I86 WeakPolarHBondContact O-CD1 3.17Å; T82-I86 VanDerWaalsContact O-CG1 3.25Å; T82-I86 WeakPolarHBondContact O-CG1 3.38Å; T82-I86 PolarHBondContact O-N 3.15Å; A83-I86 PolarHBondContact O-N 2.83Å; I86-A90 WeakPolarHBondContact O-CB 3.41Å; I86-A90 PolarHBondContact O-N 2.89Å; I86-F91 HydrophobicContact CG2-CD2 3.7Å; I86-F91 HydrophobicContact CG2-CE2 3.65Å; I86-F91 WeakPolarHBondContact O-CD2 3.41Å; I86-F91 PolarHBondContact O-N 2.95Å; I86-L113 HydrophobicContact CG2-CD1 4.07Å; I86-L143 HydrophobicContact CD1-CD2 4.39Å; I86-L143 HydrophobicContact CG1-CD2 4.5Å; I86-L143 HydrophobicContact CG2-CD2 3.65Å; I86-L147 HydrophobicContact CD1-CD1 3.93Å; I86-L147 HydrophobicContact CD1-CD2 4.26Å; I86-L147 HydrophobicContact CD1-CG 4.49Å
87A92.9Very high89.3Confident1 Ų154 Ų541%0.00827%0.267CS..Iπ-helixtrans-68.2-47.8-173.700000113.1A83 P99 I101 L113A83-A87 WeakPolarHBondContact O-CB 3.18Å; A83-A87 PolarHBondContact O-N 3.34Å; A87-P99 HydrophobicContact CB-CG 4.06Å; A87-I101 HydrophobicContact CB-CD1 3.8Å; A87-I101 HydrophobicContact CB-CG1 3.78Å; A87-L113 HydrophobicContact CB-CD2 4.13Å
88K91.8Very high90Very high118 Ų11850.7 Ų50.751%0.51326%0.258SS..Iπ-helixtrans-86.3-27.7-171.6-63.7165.1175.8165.50113.1D84 K92D84-K88 HydrophobicContact CB-CD 4.47Å; D84-K88 VanDerWaalsContact O-CB 3.25Å; D84-K88 WeakPolarHBondContact O-CB 3.45Å; D84-K88 PolarHBondContact O-N 2.87Å; D84-K88 WeakPolarHBondContact OD1-CE 3.49Å; D84-K88 IonicContact OD1-NZ 3.99Å; D84-K88 PolarHBondContact OD1-NZ 2.88Å; D84-K88 IonicContact OD2-NZ 3.69Å; D84-K88 PolarHBondContact OD2-NZ 2.75Å; K88-K92 WeakPolarHBondContact O-CB 3.36Å
89V91.4Very high90.5Very high48 Ų4845.8 Ų45.829%0.29123%0.232SC..Iπ-helixtrans-111.9-57.2-175.3-163.90000111.8F67 V85 K92 M93F67-V89 HydrophobicContact CE2-CB 4.18Å; F67-V89 HydrophobicContact CE2-CG1 3.81Å; F67-V89 HydrophobicContact CZ-CB 4.1Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; V85-V89 WeakPolarHBondContact O-CA 3.34Å; V85-V89 VanDerWaalsContact O-CB 3.24Å; V85-V89 WeakPolarHBondContact O-CB 3.46Å; V85-V89 PolarHBondContact O-N 3.37Å; V89-K92 PolarHBondContact O-N 3.41Å; V89-M93 HydrophobicContact CG1-CE 4.33Å; V89-M93 WeakPolarHBondContact O-CB 3.11Å; V89-M93 PolarHBondContact O-N 3.24Å
90A90.4Very high90.8Very high20 Ų2047.5 Ų47.517%0.16525%0.246CC..Iπ-helixtrans-68.4-52.5-17200000112.8F67 V85 I86 K92 M93 Y94F67-A90 HydrophobicContact CD2-CB 4.2Å; F67-A90 HydrophobicContact CE2-CB 3.71Å; F67-A90 HydrophobicContact CZ-CB 4.18Å; V85-A90 PolarHBondContact O-N 2.97Å; I86-A90 WeakPolarHBondContact O-CB 3.41Å; I86-A90 PolarHBondContact O-N 2.89Å; A90-K92 VanDerWaalsContact C-N 3.25Å; A90-K92 PolarHBondContact O-N 2.97Å; A90-M93 PolarHBondContact O-N 3.47Å; A90-Y94 VanDerWaalsContact O-CD2 3.31Å; A90-Y94 WeakPolarHBondContact O-CD2 3.46Å; A90-Y94 PolarHBondContact O-N 3.03Å
91F90.6Very high91.1Very high11 Ų1143.4 Ų43.45%0.04823%0.233CC..Hα-helixtrans-58.8-38.6175.2-90-86.9000111.8I86 M93 L95 G96 I97 P99 L113 L115 L143I86-F91 HydrophobicContact CG2-CD2 3.7Å; I86-F91 HydrophobicContact CG2-CE2 3.65Å; I86-F91 WeakPolarHBondContact O-CD2 3.41Å; I86-F91 PolarHBondContact O-N 2.95Å; F91-M93 PolarHBondContact O-N 3.42Å; F91-L95 HydrophobicContact CD1-CD1 3.71Å; F91-L95 HydrophobicContact CE1-CD1 3.74Å; F91-L95 CarbonylContact O-C 3.45Å; F91-L95 WeakPolarHBondContact O-CA 3.48Å; F91-L95 PolarHBondContact O-N 3.29Å; F91-G96 PolarHBondContact O-N 2.85Å; F91-I97 CarbonylContact C-O 3.47Å; F91-I97 HydrophobicContact CB-CG1 4.33Å; F91-I97 HydrophobicContact CD1-CD1 3.85Å; F91-I97 HydrophobicContact CD1-CG1 3.86Å; F91-I97 HydrophobicContact CE1-CD1 4.32Å; F91-P99 HydrophobicContact CB-CG 4.12Å; F91-P99 HydrophobicContact CD1-CG 4.18Å; F91-P99 HydrophobicContact CD2-CG 3.79Å; F91-P99 HydrophobicContact CE2-CG 4.24Å; F91-P99 HydrophobicContact CG-CG 3.76Å; F91-L113 HydrophobicContact CE2-CD1 3.98Å; F91-L115 HydrophobicContact CE1-CD2 4.06Å; F91-L143 HydrophobicContact CE2-CD1 4.44Å; F91-L143 HydrophobicContact CE2-CD2 4.17Å; F91-L143 HydrophobicContact CZ-CD1 4.41Å
92K89.5Confident91.3Very high117 Ų11742 Ų4251%0.50923%0.231SC..Hα-helixtrans-69-34.7178.8-168.553.3167.7-169.20112.9K88 V89 A90 G96 I97K88-K92 WeakPolarHBondContact O-CB 3.36Å; V89-K92 PolarHBondContact O-N 3.41Å; A90-K92 VanDerWaalsContact C-N 3.25Å; A90-K92 PolarHBondContact O-N 2.97Å; K92-G96 VanDerWaalsContact CD-O 3.23Å; K92-G96 WeakPolarHBondContact CD-O 3.27Å; K92-G96 WeakPolarHBondContact CE-O 3.43Å; K92-G96 PolarHBondContact NZ-O 3.45Å; K92-G96 WeakPolarHBondContact O-CA 3.47Å; K92-G96 PolarHBondContact O-N 3.43Å; K92-I97 WeakPolarHBondContact CA-O 3.43Å; K92-I97 PolarHBondContact N-O 2.92Å
93M86.9Confident91.4Very high59 Ų5946.7 Ų46.729%0.29126%0.255SS..Hα-helixtrans-74.6-40.8179.6-173.1179.1-62.700112.7F67 R70 V89 A90 F91F67-M93 HydrophobicContact CD2-CE 4.43Å; F67-M93 HydrophobicContact CD2-SD 4.27Å; F67-M93 HydrophobicContact CE2-CE 4.44Å; R70-M93 PolarHBondContact NH1-SD 2.75Å; V89-M93 HydrophobicContact CG1-CE 4.33Å; V89-M93 WeakPolarHBondContact O-CB 3.11Å; V89-M93 PolarHBondContact O-N 3.24Å; A90-M93 PolarHBondContact O-N 3.47Å; F91-M93 PolarHBondContact O-N 3.42Å
94Y86.7Confident91.4Very high74 Ų7449.9 Ų49.929%0.2927%0.267SS..Hα-helixtrans-101.1-32.4-171.5-63.8-58.4000115L63 D66 F67 A90L63-Y94 HydrophobicContact CD1-CD1 3.91Å; L63-Y94 HydrophobicContact CD1-CE1 3.45Å; L63-Y94 VanDerWaalsContact CD1-CE1 3.45Å; L63-Y94 HydrophobicContact CD1-CE2 4.1Å; L63-Y94 HydrophobicContact CD1-CG 4.44Å; L63-Y94 HydrophobicContact CD2-CD2 3.91Å; L63-Y94 HydrophobicContact CD2-CE2 3.89Å; L63-Y94 HydrophobicContact CD2-CG 4.25Å; L63-Y94 HydrophobicContact CG-CD2 4.28Å; L63-Y94 HydrophobicContact CG-CE1 4.08Å; L63-Y94 HydrophobicContact CG-CE2 3.78Å; L63-Y94 PolarHBondContact O-OH 3.27Å; D66-Y94 WeakPolarHBondContact OD2-CE1 3.38Å; D66-Y94 PolarHBondContact OD2-OH 2.83Å; F67-Y94 VanDerWaalsContact CA-OH 3.29Å; F67-Y94 WeakPolarHBondContact CA-OH 3.35Å; F67-Y94 HydrophobicContact CB-CE2 4.26Å; F67-Y94 WeakPolarHBondContact CB-OH 3.19Å; F67-Y94 AromaticContact CD2-CE2 3.86Å; F67-Y94 HydrophobicContact CD2-CE2 3.86Å; F67-Y94 HydrophobicContact CG-CE2 4.49Å; F67-Y94 PolarHBondContact N-OH 2.86Å; A90-Y94 VanDerWaalsContact O-CD2 3.31Å; A90-Y94 WeakPolarHBondContact O-CD2 3.46Å; A90-Y94 PolarHBondContact O-N 3.03Å
95L86.4Confident91.5Very high30 Ų3047.4 Ų47.416%0.15726%0.255CS..THydrogen-bonded Turntrans-117.9-6.1-177.9-65.6171.4000113.2F19 F91 I97 P119 L139F19-L95 HydrophobicContact CD1-CD2 4.37Å; F19-L95 HydrophobicContact CE1-CD2 3.82Å; F91-L95 HydrophobicContact CD1-CD1 3.71Å; F91-L95 HydrophobicContact CE1-CD1 3.74Å; F91-L95 CarbonylContact O-C 3.45Å; F91-L95 WeakPolarHBondContact O-CA 3.48Å; F91-L95 PolarHBondContact O-N 3.29Å; L95-I97 HydrophobicContact CB-CD1 4.47Å; L95-I97 HydrophobicContact CB-CG1 3.99Å; L95-I97 PolarHBondContact O-N 3.02Å; L95-I97 VanDerWaalsContact O-N 3.15Å; L95-P119 HydrophobicContact CB-CG 4.39Å; L95-P119 HydrophobicContact CD2-CG 4.44Å; L95-L139 HydrophobicContact CD1-CD2 3.8Å
96G87.9Confident91.3Very high41 Ų4153.1 Ų53.142%0.42329%0.293SS..SBendtrans75.5-7.7179.400000115.2F91 K92F91-G96 PolarHBondContact O-N 2.85Å; K92-G96 VanDerWaalsContact CD-O 3.23Å; K92-G96 WeakPolarHBondContact CD-O 3.27Å; K92-G96 WeakPolarHBondContact CE-O 3.43Å; K92-G96 PolarHBondContact NZ-O 3.45Å; K92-G96 WeakPolarHBondContact O-CA 3.47Å; K92-G96 PolarHBondContact O-N 3.43Å
97I89.8Confident91.2Very high27 Ų2756.5 Ų56.514%0.13832%0.323CS..  trans-93.9167.5-179.965.3173.5000112.3F91 K92 L95 L115 N117 P119F91-I97 CarbonylContact C-O 3.47Å; F91-I97 HydrophobicContact CB-CG1 4.33Å; F91-I97 HydrophobicContact CD1-CD1 3.85Å; F91-I97 HydrophobicContact CD1-CG1 3.86Å; F91-I97 HydrophobicContact CE1-CD1 4.32Å; K92-I97 WeakPolarHBondContact CA-O 3.43Å; K92-I97 PolarHBondContact N-O 2.92Å; L95-I97 HydrophobicContact CB-CD1 4.47Å; L95-I97 HydrophobicContact CB-CG1 3.99Å; L95-I97 PolarHBondContact O-N 3.02Å; L95-I97 VanDerWaalsContact O-N 3.15Å; I97-L115 HydrophobicContact CD1-CD2 3.95Å; I97-L115 HydrophobicContact CD1-CG 4.13Å; I97-N117 WeakPolarHBondContact CD1-O 3.22Å; I97-P119 HydrophobicContact CG2-CG 4.39Å
98T93.8Very high90.9Very high76 Ų7657.1 Ų57.147%0.46633%0.329SS..  trans-13794.1175-60.50000107.8
99P93.9Very high90.9Very high8 Ų854.4 Ų54.45%0.05232%0.32CS..PPolyproline II helixtrans-67152.2179.526.7-34.1000111.9A87 F91 L113 I114 L115A87-P99 HydrophobicContact CB-CG 4.06Å; F91-P99 HydrophobicContact CB-CG 4.12Å; F91-P99 HydrophobicContact CD1-CG 4.18Å; F91-P99 HydrophobicContact CD2-CG 3.79Å; F91-P99 HydrophobicContact CE2-CG 4.24Å; F91-P99 HydrophobicContact CG-CG 3.76Å; P99-L113 HydrophobicContact CB-CB 4.46Å; P99-L113 HydrophobicContact CB-CD2 4.49Å; P99-L113 HydrophobicContact CG-CD2 4.19Å; P99-I114 CarbonylContact C-O 3.52Å; P99-I114 WeakPolarHBondContact CA-O 3.29Å; P99-I114 WeakPolarHBondContact CB-O 3.4Å; P99-L115 HydrophobicContact CB-CD1 3.93Å; P99-L115 HydrophobicContact CB-CG 4.12Å
100S94.6Very high91Very high54 Ų5454.3 Ų54.338%0.37832%0.317SS..EExtended strand (participates in β ladder)trans-86.4133.3176-71.60000110.5I114S100-I114 PolarHBondContact N-O 2.95Å; S100-I114 PolarHBondContact O-N 3.03Å
101I95.4Very high91.3Very high40 Ų4053.4 Ų53.421%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-91.8121.9177.4-54.7162000109.1A83 D84 A87 W104 F111 S112 L113A83-I101 VanDerWaalsContact C-CD1 3.49Å; A83-I101 HydrophobicContact CB-CD1 3.93Å; A83-I101 HydrophobicContact CB-CG2 4.37Å; A83-I101 WeakPolarHBondContact O-CD1 3.25Å; D84-I101 HydrophobicContact CB-CD1 4.5Å; D84-I101 WeakPolarHBondContact OD1-CD1 3.4Å; A87-I101 HydrophobicContact CB-CD1 3.8Å; A87-I101 HydrophobicContact CB-CG1 3.78Å; I101-W104 HydrophobicContact CG2-CZ2 3.97Å; I101-F111 HydrophobicContact CG2-CB 4.16Å; I101-F111 HydrophobicContact CG2-CD2 3.81Å; I101-F111 HydrophobicContact CG2-CG 4.22Å; I101-S112 CarbonylContact C-O 3.22Å; I101-S112 WeakPolarHBondContact CA-O 3.41Å; I101-L113 HydrophobicContact CG1-CD2 4Å
102T94.5Very high91.5Very high54 Ų5452.9 Ų52.933%0.33131%0.307SS..EExtended strand (participates in β ladder)trans-137.6-179.2-176.4690000112.1W104 S112 I114T102-W104 VanDerWaalsContact C-N 3.31Å; T102-W104 PolarHBondContact O-N 2.67Å; T102-W104 VanDerWaalsContact O-N 3.15Å; T102-S112 PolarHBondContact N-O 3.1Å; T102-S112 PolarHBondContact O-N 3.39Å; T102-I114 HydrophobicContact CG2-CG1 3.88Å; T102-I114 WeakPolarHBondContact OG1-CG1 3.47Å
103N92.6Very high91.8Very high102 Ų10247.3 Ų47.355%0.54528%0.282SS..  trans53.340.6167.5-162.112.2000114.7S105 R172N103-S105 PolarHBondContact O-N 3.06Å; N103-R172 PolarHBondContact ND2-NH1 3.29Å; N103-R172 PolarHBondContact O-NH1 2.82Å; N103-R172 PolarHBondContact O-NH2 3.1Å
104W93.9Very high92.2Very high67 Ų6745.5 Ų45.525%0.25427%0.274SS..  trans-60.2129.1175.7-81.697.2000111.2F79 R80 A83 I101 T102 G108 E110 F111F79-W104 HydrophobicContact CD1-CH2 4.32Å; F79-W104 HydrophobicContact CD1-CZ3 4.07Å; R80-W104 HydrophobicContact CB-CH2 4.14Å; R80-W104 HydrophobicContact CB-CZ2 4.27Å; R80-W104 HydrophobicContact CG-CE3 4.26Å; R80-W104 HydrophobicContact CG-CH2 3.64Å; R80-W104 HydrophobicContact CG-CZ2 3.91Å; R80-W104 HydrophobicContact CG-CZ3 3.81Å; R80-W104 VanDerWaalsContact NH1-CG 3.32Å; A83-W104 HydrophobicContact CB-CH2 3.86Å; A83-W104 HydrophobicContact CB-CZ2 3.63Å; I101-W104 HydrophobicContact CG2-CZ2 3.97Å; T102-W104 VanDerWaalsContact C-N 3.31Å; T102-W104 PolarHBondContact O-N 2.67Å; T102-W104 VanDerWaalsContact O-N 3.15Å; W104-G108 WeakPolarHBondContact CZ3-O 3.39Å; W104-E110 WeakPolarHBondContact CA-O 3.43Å; W104-F111 HydrophobicContact CD2-CB 3.67Å; W104-F111 HydrophobicContact CE3-CB 3.79Å; W104-F111 HydrophobicContact CE3-CD1 4.46Å; W104-F111 HydrophobicContact CG-CB 4.29Å; W104-F111 HydrophobicContact CH2-CB 3.84Å; W104-F111 AromaticContact CH2-CD1 3.3Å; W104-F111 HydrophobicContact CH2-CD1 3.3Å; W104-F111 HydrophobicContact CH2-CE1 4.02Å; W104-F111 AromaticContact CH2-CG 3.78Å; W104-F111 HydrophobicContact CH2-CG 3.78Å; W104-F111 HydrophobicContact CZ2-CB 3.75Å; W104-F111 AromaticContact CZ2-CD1 3.85Å; W104-F111 HydrophobicContact CZ2-CD1 3.85Å; W104-F111 AromaticContact CZ2-CG 3.86Å; W104-F111 HydrophobicContact CZ2-CG 3.86Å; W104-F111 HydrophobicContact CZ3-CB 3.87Å; W104-F111 AromaticContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CG 4.18Å
105S93.1Very high92.4Very high14 Ų1442.1 Ų42.110%0.09826%0.261CS..  trans-55.9151.6164.755.10000111.9N103 A107 G108 D109 E110N103-S105 PolarHBondContact O-N 3.06Å; S105-A107 PolarHBondContact O-N 2.79Å; S105-G108 PolarHBondContact O-N 2.84Å; S105-G108 VanDerWaalsContact O-N 3.12Å; S105-G108 WeakPolarHBondContact OG-CA 3.26Å; S105-G108 PolarHBondContact OG-N 3.31Å; S105-G108 VanDerWaalsContact OG-N 3.08Å; S105-D109 VanDerWaalsContact CB-OD1 3.29Å; S105-D109 WeakPolarHBondContact CB-OD1 3.42Å; S105-D109 PolarHBondContact OG-N 3.46Å; S105-D109 PolarHBondContact OG-OD1 3.41Å; S105-E110 PolarHBondContact N-O 3.36Å; S105-E110 PolarHBondContact OG-N 3.43Å; S105-E110 PolarHBondContact OG-O 2.97Å; S105-E110 VanDerWaalsContact OG-O 3.04Å
106P89.1Confident92.5Very high141 Ų14148 Ų4892%0.91629%0.288SS*.THydrogen-bonded Turntrans-60.6-31.8172.2-24.634.9000113.5G108P106-G108 VanDerWaalsContact C-N 3.33Å
107A89.1Confident92.4Very high84 Ų8450.5 Ų50.569%0.69429%0.291SS*.THydrogen-bonded Turntrans-77.8-15.4177.100000113.4S105 D109S105-A107 PolarHBondContact O-N 2.79Å; A107-D109 VanDerWaalsContact C-N 3.28Å
108G88Confident92.2Very high14 Ų1449.5 Ų49.514%0.14429%0.286CS..SBendtrans75.214.4-177.400000114.4W104 S105 P106W104-G108 WeakPolarHBondContact CZ3-O 3.39Å; S105-G108 PolarHBondContact O-N 2.84Å; S105-G108 VanDerWaalsContact O-N 3.12Å; S105-G108 WeakPolarHBondContact OG-CA 3.26Å; S105-G108 PolarHBondContact OG-N 3.31Å; S105-G108 VanDerWaalsContact OG-N 3.08Å; P106-G108 VanDerWaalsContact C-N 3.33Å
109D90.7Very high91.8Very high62 Ų6246.3 Ų46.333%0.33227%0.267SS..SBendtrans-94.2-20.8179.560.6-13.5000113.3F79 S105 A107 R174 F175F79-D109 WeakPolarHBondContact CE1-O 3.46Å; S105-D109 VanDerWaalsContact CB-OD1 3.29Å; S105-D109 WeakPolarHBondContact CB-OD1 3.42Å; S105-D109 PolarHBondContact OG-N 3.46Å; S105-D109 PolarHBondContact OG-OD1 3.41Å; A107-D109 VanDerWaalsContact C-N 3.28Å; D109-R174 CarbonylContact O-C 3.6Å; D109-F175 HydrophobicContact CB-CB 4.35Å; D109-F175 WeakPolarHBondContact O-CB 3.41Å; D109-F175 PolarHBondContact O-N 2.93Å
110E94.3Very high91.3Very high46 Ų4646 Ų4622%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-121.6147.5170.7-52-169.6174.600114.2W104 S105 R172 M173 R174W104-E110 WeakPolarHBondContact CA-O 3.43Å; S105-E110 PolarHBondContact N-O 3.36Å; S105-E110 PolarHBondContact OG-N 3.43Å; S105-E110 PolarHBondContact OG-O 2.97Å; S105-E110 VanDerWaalsContact OG-O 3.04Å; E110-R172 VanDerWaalsContact CB-NH2 3.27Å; E110-R172 IonicContact OE2-CZ 3.85Å; E110-R172 VanDerWaalsContact OE2-CZ 3.24Å; E110-R172 IonicContact OE2-NE 2.78Å; E110-R172 PolarHBondContact OE2-NE 3.3Å; E110-R172 IonicContact OE2-NH2 3.09Å; E110-R172 PolarHBondContact OE2-NH2 3.47Å; E110-M173 VanDerWaalsContact CA-O 3.26Å; E110-M173 WeakPolarHBondContact CA-O 3.13Å; E110-R174 HydrophobicContact CG-CB 3.87Å; E110-R174 HydrophobicContact CG-CG 3.85Å; E110-R174 WeakPolarHBondContact OE1-CD 3.38Å
111F95.9Very high90.9Very high0 Ų044.3 Ų44.30%025%0.252CS..EExtended strand (participates in β ladder)trans-149.7167.3168.767.1-92.1000111.8F79 A83 I101 W104 L113 M173F79-F111 AromaticContact CD1-CD1 3.85Å; F79-F111 HydrophobicContact CD1-CD1 3.85Å; F79-F111 AromaticContact CD1-CE1 3.84Å; F79-F111 HydrophobicContact CD1-CE1 3.84Å; F79-F111 HydrophobicContact CD2-CE1 4.37Å; F79-F111 AromaticContact CE1-CD1 3.41Å; F79-F111 HydrophobicContact CE1-CD1 3.41Å; F79-F111 VanDerWaalsContact CE1-CD1 3.41Å; F79-F111 AromaticContact CE1-CE1 3.32Å; F79-F111 HydrophobicContact CE1-CE1 3.32Å; F79-F111 AromaticContact CE2-CE1 3.9Å; F79-F111 HydrophobicContact CE2-CE1 3.9Å; F79-F111 HydrophobicContact CG-CE1 4.34Å; F79-F111 AromaticContact CZ-CD1 3.95Å; F79-F111 HydrophobicContact CZ-CD1 3.95Å; F79-F111 AromaticContact CZ-CE1 3.37Å; F79-F111 HydrophobicContact CZ-CE1 3.37Å; F79-F111 HydrophobicContact CZ-CZ 4.33Å; A83-F111 HydrophobicContact CB-CD1 3.95Å; A83-F111 HydrophobicContact CB-CD2 4.06Å; A83-F111 HydrophobicContact CB-CE1 3.49Å; A83-F111 VanDerWaalsContact CB-CE1 3.49Å; A83-F111 HydrophobicContact CB-CE2 3.62Å; A83-F111 HydrophobicContact CB-CG 4.21Å; A83-F111 HydrophobicContact CB-CZ 3.33Å; I101-F111 HydrophobicContact CG2-CB 4.16Å; I101-F111 HydrophobicContact CG2-CD2 3.81Å; I101-F111 HydrophobicContact CG2-CG 4.22Å; W104-F111 HydrophobicContact CD2-CB 3.67Å; W104-F111 HydrophobicContact CE3-CB 3.79Å; W104-F111 HydrophobicContact CE3-CD1 4.46Å; W104-F111 HydrophobicContact CG-CB 4.29Å; W104-F111 HydrophobicContact CH2-CB 3.84Å; W104-F111 AromaticContact CH2-CD1 3.3Å; W104-F111 HydrophobicContact CH2-CD1 3.3Å; W104-F111 HydrophobicContact CH2-CE1 4.02Å; W104-F111 AromaticContact CH2-CG 3.78Å; W104-F111 HydrophobicContact CH2-CG 3.78Å; W104-F111 HydrophobicContact CZ2-CB 3.75Å; W104-F111 AromaticContact CZ2-CD1 3.85Å; W104-F111 HydrophobicContact CZ2-CD1 3.85Å; W104-F111 AromaticContact CZ2-CG 3.86Å; W104-F111 HydrophobicContact CZ2-CG 3.86Å; W104-F111 HydrophobicContact CZ3-CB 3.87Å; W104-F111 AromaticContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CG 4.18Å; F111-L113 HydrophobicContact CD2-CD2 4.4Å; F111-L113 HydrophobicContact CD2-CG 4.28Å; F111-L113 HydrophobicContact CE2-CD1 4.26Å; F111-L113 HydrophobicContact CE2-CD2 3.84Å; F111-L113 HydrophobicContact CE2-CG 3.75Å; F111-M173 HydrophobicContact CD1-CB 4.04Å; F111-M173 HydrophobicContact CD2-CB 4.06Å; F111-M173 HydrophobicContact CD2-CG 4.24Å; F111-M173 HydrophobicContact CE1-CB 3.73Å; F111-M173 HydrophobicContact CE1-CG 4.34Å; F111-M173 HydrophobicContact CE2-CB 3.75Å; F111-M173 HydrophobicContact CE2-CG 3.61Å; F111-M173 HydrophobicContact CG-CB 4.2Å; F111-M173 HydrophobicContact CZ-CB 3.58Å; F111-M173 HydrophobicContact CZ-CG 3.67Å; F111-M173 PolarHBondContact N-O 3.19Å; F111-M173 PolarHBondContact O-N 3.05Å; F111-M173 VanDerWaalsContact O-O 3.11Å
112S95.5Very high90.3Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-116.6137.1176.2-63.80000111.7I101 T102 E170 R172I101-S112 CarbonylContact C-O 3.22Å; I101-S112 WeakPolarHBondContact CA-O 3.41Å; T102-S112 PolarHBondContact N-O 3.1Å; T102-S112 PolarHBondContact O-N 3.39Å; S112-E170 WeakPolarHBondContact CB-OE1 3.34Å; S112-E170 PolarHBondContact OG-OE1 3.15Å; S112-R172 VanDerWaalsContact OG-CD 3.28Å; S112-R172 WeakPolarHBondContact OG-CD 3.48Å; S112-R172 PolarHBondContact OG-NH1 3.02Å
113L95.1Very high89.8Confident0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-98.9116169.2-67.7169.8000108.7I86 A87 F91 P99 I101 F111 L115 L143 E170 I171 M173I86-L113 HydrophobicContact CG2-CD1 4.07Å; A87-L113 HydrophobicContact CB-CD2 4.13Å; F91-L113 HydrophobicContact CE2-CD1 3.98Å; P99-L113 HydrophobicContact CB-CB 4.46Å; P99-L113 HydrophobicContact CB-CD2 4.49Å; P99-L113 HydrophobicContact CG-CD2 4.19Å; I101-L113 HydrophobicContact CG1-CD2 4Å; F111-L113 HydrophobicContact CD2-CD2 4.4Å; F111-L113 HydrophobicContact CD2-CG 4.28Å; F111-L113 HydrophobicContact CE2-CD1 4.26Å; F111-L113 HydrophobicContact CE2-CD2 3.84Å; F111-L113 HydrophobicContact CE2-CG 3.75Å; L113-L115 HydrophobicContact CB-CD1 4.15Å; L113-L143 HydrophobicContact CD1-CD1 4.23Å; L113-E170 WeakPolarHBondContact O-CA 3.29Å; L113-I171 HydrophobicContact CB-CB 4.33Å; L113-I171 PolarHBondContact N-O 3.03Å; L113-I171 PolarHBondContact O-N 3.1Å; L113-M173 HydrophobicContact CD1-CG 4.03Å; L113-M173 HydrophobicContact CG-CG 4.37Å
114I95.1Very high89.4Confident22 Ų2246.7 Ų46.711%0.11326%0.258CS..EExtended strand (participates in β ladder)trans-97.3114.5177-49-55.7000108.9P99 S100 T102 V168 E170P99-I114 CarbonylContact C-O 3.52Å; P99-I114 WeakPolarHBondContact CA-O 3.29Å; P99-I114 WeakPolarHBondContact CB-O 3.4Å; S100-I114 PolarHBondContact N-O 2.95Å; S100-I114 PolarHBondContact O-N 3.03Å; T102-I114 HydrophobicContact CG2-CG1 3.88Å; T102-I114 WeakPolarHBondContact OG1-CG1 3.47Å; I114-V168 HydrophobicContact CG2-CB 3.92Å; I114-V168 HydrophobicContact CG2-CG1 4.1Å; I114-V168 HydrophobicContact CG2-CG2 3.97Å; I114-E170 HydrophobicContact CD1-CB 3.95Å; I114-E170 HydrophobicContact CD1-CG 3.78Å
115L92.3Very high89Confident2 Ų252.2 Ų52.21%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-98.3100.3174.5-72.470.8000107.6F91 I97 P99 L113 N117 N118 L139 T169 I171F91-L115 HydrophobicContact CE1-CD2 4.06Å; I97-L115 HydrophobicContact CD1-CD2 3.95Å; I97-L115 HydrophobicContact CD1-CG 4.13Å; P99-L115 HydrophobicContact CB-CD1 3.93Å; P99-L115 HydrophobicContact CB-CG 4.12Å; L113-L115 HydrophobicContact CB-CD1 4.15Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N118 HydrophobicContact CD2-CB 4.31Å; L115-L139 HydrophobicContact CD2-CD1 4.16Å; L115-T169 HydrophobicContact CB-CG2 4.16Å; L115-T169 HydrophobicContact CD2-CG2 4.41Å; L115-T169 PolarHBondContact N-O 3.42Å; L115-T169 PolarHBondContact O-N 2.78Å; L115-I171 HydrophobicContact CD1-CD1 4.17Å; L115-I171 HydrophobicContact CD1-CG1 4.41Å
116E87.3Confident88.4Confident155 Ų15553 Ų5372%0.72429%0.289SS*.SBendtrans-68.4-30.5174.4-66.7175.7-164.200112.2
117N85.8Confident88.1Confident93 Ų9349.7 Ų49.750%0.49727%0.268SS..  trans-135.6127.9172.1-177.7-28.5000108I97 L115I97-N117 WeakPolarHBondContact CD1-O 3.22Å; L115-N117 VanDerWaalsContact C-N 3.29Å
118N85.8Confident87.5Confident5 Ų553.4 Ų53.43%0.02728%0.277CS..  trans-119.5102.2178.7176.39.5000108.9L115 L120 V121 S136L115-N118 HydrophobicContact CD2-CB 4.31Å; N118-L120 PolarHBondContact O-N 2.84Å; N118-L120 WeakPolarHBondContact OD1-CB 3.35Å; N118-L120 PolarHBondContact OD1-N 3.21Å; N118-V121 HydrophobicContact CB-CG2 4.21Å; N118-V121 WeakPolarHBondContact O-CG2 3.47Å; N118-V121 PolarHBondContact O-N 3.47Å; N118-S136 PolarHBondContact ND2-OG 3.35Å
119P85.9Confident87Confident10 Ų1058.3 Ų58.37%0.06530%0.299CS..G310 helixtrans-64-16.8-171.426.2-35.3000113.3T20 L95 I97 V121T20-P119 VanDerWaalsContact CG2-O 3.27Å; T20-P119 WeakPolarHBondContact CG2-O 3.46Å; T20-P119 PolarHBondContact OG1-O 2.91Å; L95-P119 HydrophobicContact CB-CG 4.39Å; L95-P119 HydrophobicContact CD2-CG 4.44Å; I97-P119 HydrophobicContact CG2-CG 4.39Å; P119-V121 PolarHBondContact O-N 2.93Å
120L83.3Confident86.4Confident1 Ų157.2 Ų57.21%0.00529%0.292CS..G310 helixtrans-64.8-21.5174.7-67.3179.6000113.4F19 Y23 N118 Y135 L139F19-L120 HydrophobicContact CD1-CD2 3.88Å; F19-L120 HydrophobicContact CE1-CD2 3.47Å; F19-L120 VanDerWaalsContact CE1-CD2 3.47Å; F19-L120 HydrophobicContact CZ-CD2 4.18Å; Y23-L120 HydrophobicContact CD1-CB 4.4Å; Y23-L120 HydrophobicContact CD1-CD1 4.46Å; Y23-L120 HydrophobicContact CD1-CD2 3.96Å; Y23-L120 HydrophobicContact CE1-CD1 4.31Å; Y23-L120 HydrophobicContact CG-CD2 4.14Å; N118-L120 PolarHBondContact O-N 2.84Å; N118-L120 WeakPolarHBondContact OD1-CB 3.35Å; N118-L120 PolarHBondContact OD1-N 3.21Å; L120-Y135 HydrophobicContact CB-CE1 4.44Å; L120-Y135 VanDerWaalsContact O-CE1 3.23Å; L120-Y135 WeakPolarHBondContact O-CE1 3.45Å; L120-L139 HydrophobicContact CD1-CD1 4.05Å; L120-L139 HydrophobicContact CD1-CD2 3.94Å; L120-L139 HydrophobicContact CD1-CG 3.9Å
121V85.8Confident85.5Confident19 Ų1959.1 Ų59.112%0.11531%0.311CS..G310 helixtrans-110.5-0.6-171.2-46.30000114.1N118 P119 F123 V124 Y135 L163N118-V121 HydrophobicContact CB-CG2 4.21Å; N118-V121 WeakPolarHBondContact O-CG2 3.47Å; N118-V121 PolarHBondContact O-N 3.47Å; P119-V121 PolarHBondContact O-N 2.93Å; V121-F123 PolarHBondContact O-N 3.36Å; V121-V124 HydrophobicContact CB-CB 4.43Å; V121-V124 PolarHBondContact O-N 3.36Å; V121-Y135 HydrophobicContact CG1-CD1 3.94Å; V121-Y135 HydrophobicContact CG1-CE1 4.33Å; V121-L163 HydrophobicContact CB-CD1 3.77Å; V121-L163 HydrophobicContact CB-CD2 4.1Å; V121-L163 HydrophobicContact CB-CG 3.94Å; V121-L163 HydrophobicContact CG1-CD1 3.39Å; V121-L163 HydrophobicContact CG1-CG 3.99Å; V121-L163 HydrophobicContact CG2-CG 4.43Å
122D83Confident84.9Confident80 Ų8062.2 Ų62.243%0.42833%0.332SS..THydrogen-bonded Turntrans-53-27-174.3-72.1-11.8000114.9
123F83.5Confident84.3Confident131 Ų13162.5 Ų62.558%0.57533%0.334SS*.THydrogen-bonded Turntrans-125.926.3-178.8-51-63.1000112.7E17 T20 V121E17-F123 HydrophobicContact CB-CE2 4.42Å; E17-F123 HydrophobicContact CG-CE2 4.15Å; E17-F123 HydrophobicContact CG-CZ 4.44Å; T20-F123 HydrophobicContact CG2-CD2 4.07Å; V121-F123 PolarHBondContact O-N 3.36Å
124V85.9Confident83.8Confident34 Ų3464.4 Ų64.421%0.20634%0.343CS..  trans-118.9132.4-171-176.40000109.5V121 L126 Y135 L163V121-V124 HydrophobicContact CB-CB 4.43Å; V121-V124 PolarHBondContact O-N 3.36Å; V124-L126 HydrophobicContact CG1-CD1 4.02Å; V124-Y135 HydrophobicContact CG1-CD1 4.4Å; V124-Y135 HydrophobicContact CG1-CD2 3.82Å; V124-Y135 HydrophobicContact CG1-CE1 4.27Å; V124-Y135 HydrophobicContact CG1-CE2 3.68Å; V124-Y135 HydrophobicContact CG1-CG 4.19Å; V124-Y135 HydrophobicContact CG2-CE1 3.83Å; V124-Y135 HydrophobicContact CG2-CE2 4.11Å; V124-Y135 VanDerWaalsContact CG2-OH 3.31Å; V124-Y135 WeakPolarHBondContact CG2-OH 3.45Å; V124-L163 HydrophobicContact CB-CD2 4.09Å; V124-L163 HydrophobicContact CG1-CD1 4.06Å; V124-L163 HydrophobicContact CG1-CD2 4Å; V124-L163 WeakPolarHBondContact O-CD2 3.24Å
125E84.3Confident83.4Confident183 Ų18363.9 Ų63.986%0.85534%0.34SS*.  trans-130.3126.4170.7-166.5168.5-150.500106.7
126L81.8Confident83.2Confident30 Ų3063.8 Ų63.816%0.15734%0.34CS..  trans-81.9127.1-179.7-106.665.1000109.7V124 L133 Y135 L163V124-L126 HydrophobicContact CG1-CD1 4.02Å; L126-L133 HydrophobicContact CD2-CB 4.23Å; L126-L133 HydrophobicContact CD2-CD2 4.5Å; L126-Y135 HydrophobicContact CD1-CD2 4.36Å; L126-L163 HydrophobicContact CD1-CB 4.16Å; L126-L163 HydrophobicContact CD1-CD1 3.86Å; L126-L163 HydrophobicContact CD1-CD2 4.3Å; L126-L163 HydrophobicContact CD1-CG 4.35Å
127P81.3Confident83.1Confident72 Ų7257 Ų5747%0.46831%0.308SS..  trans-68.3149.7171.5-17.131.5000111.2N129 H130P127-N129 WeakPolarHBondContact CB-OD1 3.4Å; P127-N129 PolarHBondContact O-N 3.14Å; P127-H130 PolarHBondContact O-N 3.42Å
128D77.6Confident83.1Confident163 Ų16353.3 Ų53.387%0.87229%0.288SS*.G310 helixtrans-53.3-30-174.8-61.7-49000114.3H130D128-H130 VanDerWaalsContact C-N 3.26Å; D128-H130 PolarHBondContact O-N 3.09Å
129N77.6Confident83.1Confident116 Ų11653.8 Ų53.862%0.6229%0.291SS*.G310 helixtrans-77.4-4.7-18071.9-69.3000114.3P127P127-N129 WeakPolarHBondContact CB-OD1 3.4Å; P127-N129 PolarHBondContact O-N 3.14Å
130H77.9Confident83.2Confident39 Ų3953.3 Ų53.318%0.18129%0.288CS..G310 helixtrans-114.829.4-177.7-69.8-66.1000113.4D37 P127 D128 S132 L133D37-H130 IonicContact OD1-CE1 3.18Å; D37-H130 IonicContact OD1-CG 2.72Å; D37-H130 IonicContact OD1-ND1 3.68Å; D37-H130 PolarHBondContact OD1-ND1 3.23Å; D37-H130 WeakPolarHBondContact OD2-CA 3.49Å; P127-H130 PolarHBondContact O-N 3.42Å; D128-H130 VanDerWaalsContact C-N 3.26Å; D128-H130 PolarHBondContact O-N 3.09Å; H130-S132 PolarHBondContact O-N 3.36Å; H130-L133 HydrophobicContact CB-CB 4.27Å; H130-L133 HydrophobicContact CB-CD2 4.49Å; H130-L133 VanDerWaalsContact O-CB 3.26Å; H130-L133 WeakPolarHBondContact O-CB 3.44Å; H130-L133 PolarHBondContact O-N 3.49Å; H130-L133 VanDerWaalsContact O-N 3.11Å
131S75.8Confident83.2Confident87 Ų8753.3 Ų53.361%0.60829%0.288SS*.THydrogen-bonded Turntrans-63.1-20.6-176.5590000114.8K164S131-K164 PolarHBondContact O-NZ 3.14Å
132S81.7Confident83.2Confident65 Ų6553.5 Ų53.546%0.45529%0.289SS..THydrogen-bonded Turntrans-84.6-20175.220.80000113.1D37 N41 H130 I134 K164D37-S132 WeakPolarHBondContact CB-OG 3.18Å; D37-S132 PolarHBondContact OD2-N 3.14Å; D37-S132 VanDerWaalsContact OD2-N 3.16Å; D37-S132 PolarHBondContact OD2-OG 3.34Å; N41-S132 PolarHBondContact ND2-O 3.29Å; H130-S132 PolarHBondContact O-N 3.36Å; S132-I134 PolarHBondContact O-N 3.3Å; S132-K164 PolarHBondContact O-NZ 2.67Å
133L83.1Confident83.5Confident6 Ų650.6 Ų50.63%0.03127%0.273CS..  trans-57.9134.4177.3-174.666.6000111.4V27 D37 V40 L126 H130 K164V27-L133 HydrophobicContact CG1-CD2 4.17Å; D37-L133 HydrophobicContact CB-CB 4.38Å; D37-L133 PolarHBondContact OD2-N 2.71Å; V40-L133 HydrophobicContact CB-CD1 3.88Å; V40-L133 HydrophobicContact CG1-CD1 3.43Å; V40-L133 VanDerWaalsContact CG1-CD1 3.43Å; L126-L133 HydrophobicContact CD2-CB 4.23Å; L126-L133 HydrophobicContact CD2-CD2 4.5Å; H130-L133 HydrophobicContact CB-CB 4.27Å; H130-L133 HydrophobicContact CB-CD2 4.49Å; H130-L133 VanDerWaalsContact O-CB 3.26Å; H130-L133 WeakPolarHBondContact O-CB 3.44Å; H130-L133 PolarHBondContact O-N 3.49Å; H130-L133 VanDerWaalsContact O-N 3.11Å; L133-K164 WeakPolarHBondContact O-CE 3.39Å; L133-K164 PolarHBondContact O-NZ 2.87Å
134I85.9Confident83.7Confident39 Ų3945.4 Ų45.420%0.225%0.25CC..  trans-107.289.4171.1-58174.9000105.3N41 S132 S136 N137 F158N41-I134 PolarHBondContact OD1-N 2.73Å; S132-I134 PolarHBondContact O-N 3.3Å; I134-S136 PolarHBondContact O-N 2.93Å; I134-N137 HydrophobicContact CB-CB 3.99Å; I134-N137 HydrophobicContact CG2-CB 3.73Å; I134-N137 WeakPolarHBondContact O-CB 3.25Å; I134-N137 PolarHBondContact O-N 3.29Å; I134-N137 VanDerWaalsContact O-N 3.11Å; I134-F158 HydrophobicContact CG2-CB 3.97Å; I134-F158 HydrophobicContact CG2-CD1 4.49Å; I134-F158 HydrophobicContact CG2-CD2 3.43Å; I134-F158 VanDerWaalsContact CG2-CD2 3.43Å; I134-F158 HydrophobicContact CG2-CE2 4.06Å; I134-F158 HydrophobicContact CG2-CG 3.7Å
135Y86.6Confident83.6Confident12 Ų1243.8 Ų43.85%0.04724%0.24CC..THydrogen-bonded Turntrans-58.4-38.6-169.5-179.6-87.8000112.1Y23 G24 V27 L120 V121 V124 L126 N137 L163Y23-Y135 HydrophobicContact CD1-CD1 4.41Å; Y23-Y135 AromaticContact CD1-CE1 3.55Å; Y23-Y135 HydrophobicContact CD1-CE1 3.55Å; Y23-Y135 AromaticContact CD1-CZ 3.76Å; Y23-Y135 AromaticContact CE1-CD1 3.86Å; Y23-Y135 HydrophobicContact CE1-CD1 3.86Å; Y23-Y135 AromaticContact CE1-CE1 3.45Å; Y23-Y135 HydrophobicContact CE1-CE1 3.45Å; Y23-Y135 VanDerWaalsContact CE1-CE1 3.45Å; Y23-Y135 AromaticContact CE1-CZ 3.88Å; Y23-Y135 VanDerWaalsContact CE1-O 3.22Å; Y23-Y135 WeakPolarHBondContact CE1-O 3.45Å; Y23-Y135 VanDerWaalsContact CZ-O 3.29Å; Y23-Y135 PolarHBondContact OH-O 2.89Å; G24-Y135 WeakPolarHBondContact CA-OH 3.44Å; G24-Y135 PolarHBondContact N-OH 3.43Å; V27-Y135 HydrophobicContact CB-CD2 4.23Å; V27-Y135 HydrophobicContact CB-CE2 3.8Å; V27-Y135 HydrophobicContact CG1-CD2 3.77Å; V27-Y135 HydrophobicContact CG1-CE2 3.82Å; V27-Y135 HydrophobicContact CG2-CD2 4.16Å; V27-Y135 HydrophobicContact CG2-CE2 3.82Å; L120-Y135 HydrophobicContact CB-CE1 4.44Å; L120-Y135 VanDerWaalsContact O-CE1 3.23Å; L120-Y135 WeakPolarHBondContact O-CE1 3.45Å; V121-Y135 HydrophobicContact CG1-CD1 3.94Å; V121-Y135 HydrophobicContact CG1-CE1 4.33Å; V124-Y135 HydrophobicContact CG1-CD1 4.4Å; V124-Y135 HydrophobicContact CG1-CD2 3.82Å; V124-Y135 HydrophobicContact CG1-CE1 4.27Å; V124-Y135 HydrophobicContact CG1-CE2 3.68Å; V124-Y135 HydrophobicContact CG1-CG 4.19Å; V124-Y135 HydrophobicContact CG2-CE1 3.83Å; V124-Y135 HydrophobicContact CG2-CE2 4.11Å; V124-Y135 VanDerWaalsContact CG2-OH 3.31Å; V124-Y135 WeakPolarHBondContact CG2-OH 3.45Å; L126-Y135 HydrophobicContact CD1-CD2 4.36Å; Y135-N137 PolarHBondContact O-N 2.86Å; Y135-L163 HydrophobicContact CD1-CD1 3.94Å; Y135-L163 HydrophobicContact CG-CD1 3.83Å
136S87.1Confident83.7Confident0 Ų036 Ų360%021%0.207CC..THydrogen-bonded Turntrans-89.815.6-178.3-62.30000114.8N118 I134 L138 L139 F158N118-S136 PolarHBondContact ND2-OG 3.35Å; I134-S136 PolarHBondContact O-N 2.93Å; S136-L138 PolarHBondContact O-N 2.74Å; S136-L139 WeakPolarHBondContact O-CB 3.39Å; S136-L139 PolarHBondContact O-N 2.94Å; S136-F158 VanDerWaalsContact CB-CZ 3.43Å; S136-F158 VanDerWaalsContact O-CE2 3.31Å; S136-F158 WeakPolarHBondContact O-CE2 3.25Å; S136-F158 VanDerWaalsContact O-CZ 3.31Å; S136-F158 WeakPolarHBondContact O-CZ 3.49Å
137N85.6Confident84Confident11 Ų1135 Ų356%0.05920%0.202CC..THydrogen-bonded Turntrans-60.2-21.3-171.5-141.717.2000114.6N41 L44 D45 I134 Y135 L139 C140 G141N41-N137 PolarHBondContact O-ND2 3.08Å; L44-N137 HydrophobicContact CB-CB 3.94Å; L44-N137 HydrophobicContact CD1-CB 4.49Å; D45-N137 WeakPolarHBondContact CB-ND2 3.46Å; I134-N137 HydrophobicContact CB-CB 3.99Å; I134-N137 HydrophobicContact CG2-CB 3.73Å; I134-N137 WeakPolarHBondContact O-CB 3.25Å; I134-N137 PolarHBondContact O-N 3.29Å; I134-N137 VanDerWaalsContact O-N 3.11Å; Y135-N137 PolarHBondContact O-N 2.86Å; N137-L139 PolarHBondContact O-N 3.02Å; N137-L139 VanDerWaalsContact O-N 3.14Å; N137-C140 WeakPolarHBondContact O-CB 3.27Å; N137-C140 PolarHBondContact O-N 3.24Å; N137-G141 PolarHBondContact O-N 3.3Å
138L84.8Confident84.2Confident16 Ų1635.6 Ų35.68%0.08420%0.199CC..Hα-helixtrans-49.3-37.5170.1179.167.6000112.4Y23 G56 I59 S136 C140 G141 V142Y23-L138 HydrophobicContact CD2-CD2 3.81Å; Y23-L138 HydrophobicContact CE2-CB 3.72Å; Y23-L138 HydrophobicContact CE2-CD2 3.45Å; Y23-L138 VanDerWaalsContact CE2-CD2 3.45Å; Y23-L138 HydrophobicContact CE2-CG 4.16Å; Y23-L138 WeakPolarHBondContact OH-CB 3.15Å; G56-L138 VanDerWaalsContact CA-CD1 3.45Å; I59-L138 HydrophobicContact CD1-CD1 4.29Å; S136-L138 PolarHBondContact O-N 2.74Å; L138-C140 VanDerWaalsContact C-N 3.35Å; L138-C140 PolarHBondContact O-N 2.98Å; L138-G141 PolarHBondContact O-N 3.39Å; L138-V142 HydrophobicContact CD1-CG2 4.35Å; L138-V142 HydrophobicContact CG-CG2 4.34Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.17Å
139L87.3Confident84.5Confident16 Ų1632.5 Ų32.58%0.08418%0.18CC..Hα-helixtrans-63.1-39.9179.8-62-176.4000112.1L95 L115 L120 S136 N137 V142 L143 F158 I171L95-L139 HydrophobicContact CD1-CD2 3.8Å; L115-L139 HydrophobicContact CD2-CD1 4.16Å; L120-L139 HydrophobicContact CD1-CD1 4.05Å; L120-L139 HydrophobicContact CD1-CD2 3.94Å; L120-L139 HydrophobicContact CD1-CG 3.9Å; S136-L139 WeakPolarHBondContact O-CB 3.39Å; S136-L139 PolarHBondContact O-N 2.94Å; N137-L139 PolarHBondContact O-N 3.02Å; N137-L139 VanDerWaalsContact O-N 3.14Å; L139-V142 PolarHBondContact O-N 3.11Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 VanDerWaalsContact O-CG 3.25Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.73Å; L139-F158 HydrophobicContact CB-CZ 4.36Å; L139-F158 HydrophobicContact CD1-CZ 4.42Å; L139-I171 HydrophobicContact CB-CD1 4.1Å; L139-I171 HydrophobicContact CD1-CD1 4.27Å
140C88Confident84.9Confident0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-65.2-42.2175.3-72.50000111.2N137 L138 L143 R144 A156 F158N137-C140 WeakPolarHBondContact O-CB 3.27Å; N137-C140 PolarHBondContact O-N 3.24Å; L138-C140 VanDerWaalsContact C-N 3.35Å; L138-C140 PolarHBondContact O-N 2.98Å; C140-L143 PolarHBondContact O-N 2.72Å; C140-R144 WeakPolarHBondContact O-CG 3.49Å; C140-R144 PolarHBondContact O-N 3.28Å; C140-A156 HydrophobicContact CB-CB 3.87Å; C140-F158 HydrophobicContact CB-CE2 4.49Å; C140-F158 WeakPolarHBondContact SG-CD2 3.38Å; C140-F158 WeakPolarHBondContact SG-CE2 3.37Å
141G82.1Confident85.2Confident0 Ų028.4 Ų28.40%016%0.16CC..Hα-helixtrans-59.3-44.9173.400000113.9N137 L138 G145N137-G141 PolarHBondContact O-N 3.3Å; L138-G141 PolarHBondContact O-N 3.39Å; G141-G145 PolarHBondContact O-N 3.19Å
142V87.3Confident85.7Confident24 Ų2424.9 Ų24.915%0.14513%0.134CC..Hα-helixtrans-65.3-44.5177.5171.10000111.3I59 G60 L63 L138 L139 G145 A146I59-V142 HydrophobicContact CB-CG2 4.13Å; I59-V142 HydrophobicContact CG2-CG2 3.82Å; G60-V142 WeakPolarHBondContact CA-O 3.44Å; L63-V142 HydrophobicContact CD2-CG1 3.88Å; L138-V142 HydrophobicContact CD1-CG2 4.35Å; L138-V142 HydrophobicContact CG-CG2 4.34Å; L138-V142 WeakPolarHBondContact O-CG2 3.31Å; L138-V142 PolarHBondContact O-N 3.17Å; L139-V142 PolarHBondContact O-N 3.11Å; V142-G145 PolarHBondContact O-N 3.47Å; V142-A146 VanDerWaalsContact O-CB 3.3Å; V142-A146 WeakPolarHBondContact O-CB 3.43Å; V142-A146 PolarHBondContact O-N 2.98Å
143L89.4Confident86Confident18 Ų1822.4 Ų22.49%0.09412%0.117CC..Hα-helixtrans-61.2-47.1178.7-74.4167.3000111.9I86 F91 L113 L139 C140 L147 A156 I171 M173I86-L143 HydrophobicContact CD1-CD2 4.39Å; I86-L143 HydrophobicContact CG1-CD2 4.5Å; I86-L143 HydrophobicContact CG2-CD2 3.65Å; F91-L143 HydrophobicContact CE2-CD1 4.44Å; F91-L143 HydrophobicContact CE2-CD2 4.17Å; F91-L143 HydrophobicContact CZ-CD1 4.41Å; L113-L143 HydrophobicContact CD1-CD1 4.23Å; L139-L143 WeakPolarHBondContact O-CB 3.36Å; L139-L143 VanDerWaalsContact O-CG 3.25Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.73Å; C140-L143 PolarHBondContact O-N 2.72Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CD1 3.38Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.07Å; L143-L147 PolarHBondContact O-N 2.76Å; L143-L147 VanDerWaalsContact O-N 3.09Å; L143-A156 HydrophobicContact CB-CB 4.41Å; L143-I171 HydrophobicContact CD1-CG2 4.3Å; L143-M173 HydrophobicContact CB-CE 4.18Å; L143-M173 HydrophobicContact CB-SD 4.44Å; L143-M173 HydrophobicContact CD1-SD 3.91Å
144R87.5Confident86.4Confident22 Ų2222.6 Ų22.68%0.08312%0.119CC..Hα-helixtrans-63.2-48176.8-67-171.9-52.1-93-12.8111.9D45 I47 C140 A146 L147 E148 V154 A156D45-R144 PolarHBondContact O-NH2 2.92Å; D45-R144 IonicContact OD1-CZ 3.24Å; D45-R144 IonicContact OD1-NH1 2.86Å; D45-R144 PolarHBondContact OD1-NH1 2.85Å; D45-R144 IonicContact OD1-NH2 3.99Å; D45-R144 PolarHBondContact OD1-NH2 3.4Å; D45-R144 IonicContact OD2-CZ 2.73Å; D45-R144 IonicContact OD2-NH1 3.45Å; D45-R144 PolarHBondContact OD2-NH1 3.04Å; D45-R144 IonicContact OD2-NH2 2.94Å; D45-R144 PolarHBondContact OD2-NH2 3.15Å; I47-R144 HydrophobicContact CD1-CB 4.28Å; C140-R144 WeakPolarHBondContact O-CG 3.49Å; C140-R144 PolarHBondContact O-N 3.28Å; R144-A146 PolarHBondContact O-N 2.9Å; R144-L147 PolarHBondContact O-N 2.99Å; R144-E148 WeakPolarHBondContact O-CB 3.24Å; R144-E148 PolarHBondContact O-N 3.5Å; R144-V154 WeakPolarHBondContact CD-O 3.42Å; R144-V154 HydrophobicContact CG-CG2 4.1Å; R144-V154 WeakPolarHBondContact CG-O 3.17Å; R144-A156 HydrophobicContact CG-CB 3.88Å; R144-A156 PolarHBondContact NH1-O 2.84Å
145G83.4Confident86.6Confident0 Ų023.3 Ų23.30%012%0.121CC..Hα-helixtrans-64.3-36.4-17900000114.1G141 V142G141-G145 PolarHBondContact O-N 3.19Å; V142-G145 PolarHBondContact O-N 3.47Å
146A86.9Confident86.7Confident20 Ų2022.9 Ų22.917%0.16512%0.12CC..Hα-helixtrans-69.2-38.8174.400000112.2I64 V142 R144I64-A146 HydrophobicContact CB-CB 4.2Å; I64-A146 HydrophobicContact CD1-CB 4.41Å; V142-A146 VanDerWaalsContact O-CB 3.3Å; V142-A146 WeakPolarHBondContact O-CB 3.43Å; V142-A146 PolarHBondContact O-N 2.98Å; R144-A146 PolarHBondContact O-N 2.9Å
147L88Confident86.9Confident9 Ų926.7 Ų26.75%0.04714%0.137CC..Hα-helixtrans-75.7-32-179.2-72.9167.2000113.3T82 I86 L143 R144 M149 V150 Q151 M152 V154 M173T82-L147 HydrophobicContact CG2-CD2 3.43Å; T82-L147 VanDerWaalsContact CG2-CD2 3.43Å; I86-L147 HydrophobicContact CD1-CD1 3.93Å; I86-L147 HydrophobicContact CD1-CD2 4.26Å; I86-L147 HydrophobicContact CD1-CG 4.49Å; L143-L147 WeakPolarHBondContact O-CB 3.46Å; L143-L147 WeakPolarHBondContact O-CD1 3.38Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.07Å; L143-L147 PolarHBondContact O-N 2.76Å; L143-L147 VanDerWaalsContact O-N 3.09Å; R144-L147 PolarHBondContact O-N 2.99Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.05Å; L147-V150 HydrophobicContact CD2-CG2 4.08Å; L147-V150 CarbonylContact O-C 3.17Å; L147-V150 VanDerWaalsContact O-CG2 3.27Å; L147-V150 WeakPolarHBondContact O-CG2 3.45Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-V150 VanDerWaalsContact O-N 3.14Å; L147-Q151 PolarHBondContact O-N 2.88Å; L147-M152 CarbonylContact C-O 3.59Å; L147-M152 HydrophobicContact CB-CB 4.38Å; L147-M152 HydrophobicContact CD2-CE 3.84Å; L147-M152 PolarHBondContact O-N 3.05Å; L147-V154 HydrophobicContact CB-CG1 4.42Å; L147-V154 HydrophobicContact CB-CG2 4.07Å; L147-V154 HydrophobicContact CD1-CB 4.49Å; L147-V154 HydrophobicContact CD1-CG1 4.12Å; L147-V154 HydrophobicContact CD1-CG2 3.62Å; L147-V154 HydrophobicContact CG-CG2 4.49Å; L147-M173 HydrophobicContact CD1-CE 3.68Å
148E85.3Confident87.1Confident85 Ų8527.4 Ų27.440%0.39714%0.14SC..Hα-helixtrans-60-41.6174.1-170164.5132.600111.7F57 R144 V150 Q151 M152 I179F57-E148 HydrophobicContact CE2-CB 4.28Å; F57-E148 WeakPolarHBondContact CE2-OE2 3.46Å; F57-E148 HydrophobicContact CZ-CG 4.5Å; F57-E148 WeakPolarHBondContact CZ-OE1 3.45Å; R144-E148 WeakPolarHBondContact O-CB 3.24Å; R144-E148 PolarHBondContact O-N 3.5Å; E148-V150 VanDerWaalsContact C-N 3.25Å; E148-V150 PolarHBondContact O-N 3.32Å; E148-Q151 WeakPolarHBondContact O-CA 3.37Å; E148-Q151 PolarHBondContact O-N 3.41Å; E148-M152 PolarHBondContact N-O 3.18Å; E148-I179 HydrophobicContact CG-CD1 3.7Å
149M82.8Confident87.5Confident97 Ų9730.4 Ų30.448%0.47816%0.158SC..THydrogen-bonded Turntrans-67.7-19.3177-67.8-60.1-69.100114.6V61 I64 L147 Q151V61-M149 HydrophobicContact CB-CG 4.11Å; V61-M149 HydrophobicContact CB-SD 4.48Å; V61-M149 HydrophobicContact CG1-CE 4.29Å; V61-M149 HydrophobicContact CG1-CG 4.02Å; V61-M149 HydrophobicContact CG1-SD 3.82Å; V61-M149 HydrophobicContact CG2-CG 3.88Å; V61-M149 HydrophobicContact CG2-SD 4.22Å; I64-M149 HydrophobicContact CG1-CB 4.47Å; I64-M149 HydrophobicContact CG2-CB 3.69Å; I64-M149 HydrophobicContact CG2-CG 3.91Å; L147-M149 VanDerWaalsContact C-N 3.31Å; L147-M149 PolarHBondContact O-N 3.05Å; M149-Q151 VanDerWaalsContact C-N 3.34Å
150V85.8Confident87.7Confident38 Ų3832.6 Ų32.623%0.2317%0.168CC..THydrogen-bonded Turntrans-101.325.5168.9-640000112I64 L68 L147 E148 M152I64-V150 HydrophobicContact CD1-CG1 4.1Å; I64-V150 HydrophobicContact CG1-CG1 4.07Å; L68-V150 HydrophobicContact CD1-CG1 4.38Å; L147-V150 HydrophobicContact CD2-CG2 4.08Å; L147-V150 CarbonylContact O-C 3.17Å; L147-V150 VanDerWaalsContact O-CG2 3.27Å; L147-V150 WeakPolarHBondContact O-CG2 3.45Å; L147-V150 PolarHBondContact O-N 3.18Å; L147-V150 VanDerWaalsContact O-N 3.14Å; E148-V150 VanDerWaalsContact C-N 3.25Å; E148-V150 PolarHBondContact O-N 3.32Å; V150-M152 VanDerWaalsContact C-N 3.31Å; V150-M152 HydrophobicContact CB-CE 4.38Å; V150-M152 HydrophobicContact CG2-CE 3.53Å; V150-M152 PolarHBondContact O-N 2.7Å
151Q85Confident87.7Confident31 Ų3132.8 Ų32.815%0.14517%0.169CC..THydrogen-bonded Turntrans63.728.2172.9-58.5163.6-37.700114.6L147 E148 M149 R178 I179 D181L147-Q151 PolarHBondContact O-N 2.88Å; E148-Q151 WeakPolarHBondContact O-CA 3.37Å; E148-Q151 PolarHBondContact O-N 3.41Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-R178 WeakPolarHBondContact O-CA 3.26Å; Q151-R178 WeakPolarHBondContact O-CG 3.29Å; Q151-I179 HydrophobicContact CB-CB 4.24Å; Q151-I179 WeakPolarHBondContact CB-O 3.31Å; Q151-I179 PolarHBondContact O-N 3.01Å; Q151-D181 PolarHBondContact NE2-OD2 3.47Å
152M87.1Confident88.1Confident14 Ų1435.3 Ų35.37%0.06919%0.185CC..EExtended strand (participates in β ladder)trans-116.8103.1176.5-69.7-173.3-82.600110.1T82 L147 E148 V150 V154 F175T82-M152 HydrophobicContact CG2-CE 3.67Å; T82-M152 HydrophobicContact CG2-SD 4.24Å; L147-M152 CarbonylContact C-O 3.59Å; L147-M152 HydrophobicContact CB-CB 4.38Å; L147-M152 HydrophobicContact CD2-CE 3.84Å; L147-M152 PolarHBondContact O-N 3.05Å; E148-M152 PolarHBondContact N-O 3.18Å; V150-M152 VanDerWaalsContact C-N 3.31Å; V150-M152 HydrophobicContact CB-CE 4.38Å; V150-M152 HydrophobicContact CG2-CE 3.53Å; V150-M152 PolarHBondContact O-N 2.7Å; M152-V154 HydrophobicContact CB-CG1 4.33Å; M152-V154 PolarHBondContact O-N 3.45Å; M152-F175 HydrophobicContact CB-CE2 4.46Å; M152-F175 HydrophobicContact CG-CE2 4.28Å
153A87.6Confident88Confident13 Ų1335.7 Ų35.711%0.10719%0.186CC..EExtended strand (participates in β ladder)trans-74.9119.1170.900000108.7I176 R177 I179A153-I176 HydrophobicContact CB-CB 4.41Å; A153-I176 WeakPolarHBondContact O-CB 3.07Å; A153-I176 PolarHBondContact O-N 3.18Å; A153-R177 HydrophobicContact CB-CG 3.81Å; A153-R177 WeakPolarHBondContact CB-O 3.49Å; A153-R177 PolarHBondContact N-O 3.06Å; A153-R177 PolarHBondContact O-N 3.15Å; A153-I179 HydrophobicContact CB-CD1 4.13Å; A153-I179 HydrophobicContact CB-CG1 3.99Å
154V90.1Very high87.9Confident10 Ų1039.2 Ų39.26%0.06120%0.2CC..EExtended strand (participates in β ladder)trans-132.5152.9-179.2-51.30000111.5F79 R144 L147 M152 M173 R174F79-V154 HydrophobicContact CE2-CG1 3.83Å; F79-V154 HydrophobicContact CZ-CG1 4.2Å; R144-V154 WeakPolarHBondContact CD-O 3.42Å; R144-V154 HydrophobicContact CG-CG2 4.1Å; R144-V154 WeakPolarHBondContact CG-O 3.17Å; L147-V154 HydrophobicContact CB-CG1 4.42Å; L147-V154 HydrophobicContact CB-CG2 4.07Å; L147-V154 HydrophobicContact CD1-CB 4.49Å; L147-V154 HydrophobicContact CD1-CG1 4.12Å; L147-V154 HydrophobicContact CD1-CG2 3.62Å; L147-V154 HydrophobicContact CG-CG2 4.49Å; M152-V154 HydrophobicContact CB-CG1 4.33Å; M152-V154 PolarHBondContact O-N 3.45Å; V154-M173 HydrophobicContact CG2-CE 3.92Å; V154-R174 CarbonylContact C-O 3.52Å; V154-R174 WeakPolarHBondContact CA-O 3.4Å; V154-R174 WeakPolarHBondContact CB-O 3.36Å
155E90.2Very high87.7Confident53 Ų5341.5 Ų41.525%0.24823%0.231CC..EExtended strand (participates in β ladder)trans-95.2137161179.4-177.9-80.300108.7K157 M173 R174 I176E155-K157 IonicContact OE2-NZ 2.72Å; E155-K157 PolarHBondContact OE2-NZ 3.4Å; E155-M173 WeakPolarHBondContact O-CA 3.47Å; E155-R174 HydrophobicContact CB-CB 4.29Å; E155-R174 PolarHBondContact N-O 3.37Å; E155-R174 PolarHBondContact O-N 3.2Å; E155-R174 IonicContact OE1-CZ 2.74Å; E155-R174 IonicContact OE1-NE 2.74Å; E155-R174 IonicContact OE1-NH2 3.69Å; E155-R174 PolarHBondContact OE1-NH2 3.18Å; E155-R174 IonicContact OE2-CZ 3.69Å; E155-R174 IonicContact OE2-NE 2.73Å; E155-R174 PolarHBondContact OE2-NE 2.7Å; E155-R174 IonicContact OE2-NH2 3.36Å; E155-R174 PolarHBondContact OE2-NH2 3.25Å; E155-R174 VanDerWaalsContact OE2-NH2 3.09Å; E155-I176 HydrophobicContact CB-CD1 4.2Å; E155-I176 HydrophobicContact CB-CG1 4.5Å
156A90.4Very high88Confident4 Ų444.2 Ų44.23%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-128.3128.2169.900000107C140 L143 R144 I171 R172 M173C140-A156 HydrophobicContact CB-CB 3.87Å; L143-A156 HydrophobicContact CB-CB 4.41Å; R144-A156 HydrophobicContact CG-CB 3.88Å; R144-A156 PolarHBondContact NH1-O 2.84Å; A156-I171 HydrophobicContact CB-CG2 4.49Å; A156-R172 WeakPolarHBondContact CA-O 3.29Å; A156-M173 HydrophobicContact CB-CE 4.16Å; A156-M173 HydrophobicContact CB-SD 3.48Å; A156-M173 WeakPolarHBondContact CB-SD 3.27Å
157K90.5Very high87.9Confident80 Ų8046.8 Ų46.835%0.34827%0.274SS..EExtended strand (participates in β ladder)trans-145.8147.8179.565.9-171.6174.2-149.90111.3E155 V159 I171 R172E155-K157 IonicContact OE2-NZ 2.72Å; E155-K157 PolarHBondContact OE2-NZ 3.4Å; K157-V159 HydrophobicContact CG-CG2 4.4Å; K157-I171 CarbonylContact O-C 3.51Å; K157-I171 WeakPolarHBondContact O-CA 3.27Å; K157-R172 HydrophobicContact CG-CB 4.02Å; K157-R172 PolarHBondContact N-O 3.4Å; K157-R172 PolarHBondContact O-N 3.48Å
158F90.5Very high88Confident26 Ų2648.3 Ų48.311%0.11428%0.284CS..EExtended strand (participates in β ladder)trans-73.5139.8167.9-75.3-98.3000110.3I134 S136 L139 C140 T169 E170 I171I134-F158 HydrophobicContact CG2-CB 3.97Å; I134-F158 HydrophobicContact CG2-CD1 4.49Å; I134-F158 HydrophobicContact CG2-CD2 3.43Å; I134-F158 VanDerWaalsContact CG2-CD2 3.43Å; I134-F158 HydrophobicContact CG2-CE2 4.06Å; I134-F158 HydrophobicContact CG2-CG 3.7Å; S136-F158 VanDerWaalsContact CB-CZ 3.43Å; S136-F158 VanDerWaalsContact O-CE2 3.31Å; S136-F158 WeakPolarHBondContact O-CE2 3.25Å; S136-F158 VanDerWaalsContact O-CZ 3.31Å; S136-F158 WeakPolarHBondContact O-CZ 3.49Å; L139-F158 HydrophobicContact CB-CZ 4.36Å; L139-F158 HydrophobicContact CD1-CZ 4.42Å; C140-F158 HydrophobicContact CB-CE2 4.49Å; C140-F158 WeakPolarHBondContact SG-CD2 3.38Å; C140-F158 WeakPolarHBondContact SG-CE2 3.37Å; F158-T169 HydrophobicContact CD1-CG2 3.97Å; F158-T169 HydrophobicContact CE1-CG2 3.56Å; F158-E170 WeakPolarHBondContact CA-O 3.45Å; F158-I171 HydrophobicContact CD1-CG1 3.96Å; F158-I171 HydrophobicContact CD2-CG1 4.43Å; F158-I171 HydrophobicContact CE1-CD1 3.96Å; F158-I171 HydrophobicContact CE1-CG1 3.63Å; F158-I171 HydrophobicContact CE2-CD1 4.16Å; F158-I171 HydrophobicContact CE2-CG1 4.12Å; F158-I171 HydrophobicContact CG-CG1 4.35Å; F158-I171 HydrophobicContact CZ-CD1 3.62Å; F158-I171 HydrophobicContact CZ-CG1 3.71Å
159V92.1Very high88.4Confident79 Ų7944.3 Ų44.348%0.47927%0.265SS..EExtended strand (participates in β ladder)trans-118.9-34.8174.7176.40000111K157 E170 R172K157-V159 HydrophobicContact CG-CG2 4.4Å; V159-E170 HydrophobicContact CB-CB 4.41Å; V159-E170 HydrophobicContact CB-CG 4.16Å; V159-E170 PolarHBondContact N-O 2.99Å; V159-R172 HydrophobicContact CG2-CB 3.53Å; V159-R172 HydrophobicContact CG2-CG 4.42Å
160Q91.3Very high89Confident61 Ų6140.6 Ų40.629%0.28525%0.247SC..EExtended strand (participates in β ladder)trans-131.1145.1171.6-57.9-159.5-92.600109.5D166 V168 T169 E170Q160-D166 VanDerWaalsContact CA-OD2 3.29Å; Q160-D166 WeakPolarHBondContact CA-OD2 3.43Å; Q160-D166 HydrophobicContact CB-CB 3.87Å; Q160-D166 PolarHBondContact NE2-OD1 3.36Å; Q160-V168 VanDerWaalsContact CB-O 3.31Å; Q160-V168 WeakPolarHBondContact CB-O 3.42Å; Q160-T169 WeakPolarHBondContact O-CA 3.23Å; Q160-E170 HydrophobicContact CB-CB 3.84Å; Q160-E170 HydrophobicContact CG-CB 4.08Å; Q160-E170 PolarHBondContact O-N 3.27Å
161D89.1Confident89.4Confident4 Ų438.8 Ų38.82%0.02124%0.236CC..  trans-142123.2177.3-170-21.5000110L163 K164 D166D161-L163 PolarHBondContact O-N 2.79Å; D161-L163 VanDerWaalsContact O-N 3.14Å; D161-L163 WeakPolarHBondContact OD1-CB 3.38Å; D161-L163 PolarHBondContact OD1-N 3.45Å; D161-K164 HydrophobicContact CB-CD 4.41Å; D161-K164 HydrophobicContact CB-CG 4.14Å; D161-K164 PolarHBondContact O-N 2.8Å; D161-D166 PolarHBondContact N-OD2 3.48Å; D161-D166 WeakPolarHBondContact O-CB 3.21Å; D161-D166 PolarHBondContact O-N 3.25Å
162T89.7Confident89.9Confident54 Ų5438.6 Ų38.633%0.33123%0.233SC..G310 helixtrans-58.7-27.4179.2450000112.6K164 G165 D166 T169T162-K164 PolarHBondContact O-N 3.13Å; T162-G165 PolarHBondContact O-N 2.8Å; T162-D166 WeakPolarHBondContact CA-O 3.31Å; T162-T169 PolarHBondContact N-OG1 3.2Å; T162-T169 PolarHBondContact OG1-OG1 3.28Å
163L86.3Confident90.2Very high32 Ų3237.9 Ų37.917%0.16823%0.23CC..G310 helixtrans-69.7-13.5174.8-71.3169.7000113.8V121 V124 L126 Y135 D161V121-L163 HydrophobicContact CB-CD1 3.77Å; V121-L163 HydrophobicContact CB-CD2 4.1Å; V121-L163 HydrophobicContact CB-CG 3.94Å; V121-L163 HydrophobicContact CG1-CD1 3.39Å; V121-L163 HydrophobicContact CG1-CG 3.99Å; V121-L163 HydrophobicContact CG2-CG 4.43Å; V124-L163 HydrophobicContact CB-CD2 4.09Å; V124-L163 HydrophobicContact CG1-CD1 4.06Å; V124-L163 HydrophobicContact CG1-CD2 4Å; V124-L163 WeakPolarHBondContact O-CD2 3.24Å; L126-L163 HydrophobicContact CD1-CB 4.16Å; L126-L163 HydrophobicContact CD1-CD1 3.86Å; L126-L163 HydrophobicContact CD1-CD2 4.3Å; L126-L163 HydrophobicContact CD1-CG 4.35Å; Y135-L163 HydrophobicContact CD1-CD1 3.94Å; Y135-L163 HydrophobicContact CG-CD1 3.83Å; D161-L163 PolarHBondContact O-N 2.79Å; D161-L163 VanDerWaalsContact O-N 3.14Å; D161-L163 WeakPolarHBondContact OD1-CB 3.38Å; D161-L163 PolarHBondContact OD1-N 3.45Å
164K86.4Confident90.5Very high91 Ų9141.4 Ų41.440%0.39624%0.241SC..G310 helixtrans-1026.5175-56.6-168.6-174.7-149.90112.8S131 S132 L133 D161 T162S131-K164 PolarHBondContact O-NZ 3.14Å; S132-K164 PolarHBondContact O-NZ 2.67Å; L133-K164 WeakPolarHBondContact O-CE 3.39Å; L133-K164 PolarHBondContact O-NZ 2.87Å; D161-K164 HydrophobicContact CB-CD 4.41Å; D161-K164 HydrophobicContact CB-CG 4.14Å; D161-K164 PolarHBondContact O-N 2.8Å; T162-K164 PolarHBondContact O-N 3.13Å
165G84.3Confident90.6Very high71 Ų7144.1 Ų44.173%0.73225%0.252SS*.THydrogen-bonded Turntrans898-178.500000115T162T162-G165 PolarHBondContact O-N 2.8Å
166D87.8Confident90.6Very high57 Ų5746.3 Ų46.331%0.30526%0.264SS..  trans-67.8153.6169.1-73.4-67000111.7Q160 D161 T162 V168Q160-D166 VanDerWaalsContact CA-OD2 3.29Å; Q160-D166 WeakPolarHBondContact CA-OD2 3.43Å; Q160-D166 HydrophobicContact CB-CB 3.87Å; Q160-D166 PolarHBondContact NE2-OD1 3.36Å; D161-D166 PolarHBondContact N-OD2 3.48Å; D161-D166 WeakPolarHBondContact O-CB 3.21Å; D161-D166 PolarHBondContact O-N 3.25Å; T162-D166 WeakPolarHBondContact CA-O 3.31Å; D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.33Å
167G86.6Confident90.5Very high74 Ų7453.1 Ų53.176%0.76329%0.289SS*.SBendtrans-73.2-18.5179.100000115.1
168V90.3Very high90.2Very high41 Ų4155 Ų5525%0.24829%0.294CS..SBendtrans-149.6160.7178.2-68.40000110I114 Q160 D166I114-V168 HydrophobicContact CG2-CB 3.92Å; I114-V168 HydrophobicContact CG2-CG1 4.1Å; I114-V168 HydrophobicContact CG2-CG2 3.97Å; Q160-V168 VanDerWaalsContact CB-O 3.31Å; Q160-V168 WeakPolarHBondContact CB-O 3.42Å; D166-V168 VanDerWaalsContact C-N 3.31Å; D166-V168 PolarHBondContact O-N 3.33Å
169T92.6Very high89.9Confident1 Ų155.7 Ų55.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-91.1123.4169.1-69.90000109.5L115 F158 Q160 T162L115-T169 HydrophobicContact CB-CG2 4.16Å; L115-T169 HydrophobicContact CD2-CG2 4.41Å; L115-T169 PolarHBondContact N-O 3.42Å; L115-T169 PolarHBondContact O-N 2.78Å; F158-T169 HydrophobicContact CD1-CG2 3.97Å; F158-T169 HydrophobicContact CE1-CG2 3.56Å; Q160-T169 WeakPolarHBondContact O-CA 3.23Å; T162-T169 PolarHBondContact N-OG1 3.2Å; T162-T169 PolarHBondContact OG1-OG1 3.28Å
170E94.6Very high89.2Confident19 Ų1959.7 Ų59.79%0.08931%0.312CS..EExtended strand (participates in β ladder)trans-116.5124.1178178177.6174.800111.2S112 L113 I114 F158 V159 Q160S112-E170 WeakPolarHBondContact CB-OE1 3.34Å; S112-E170 PolarHBondContact OG-OE1 3.15Å; L113-E170 WeakPolarHBondContact O-CA 3.29Å; I114-E170 HydrophobicContact CD1-CB 3.95Å; I114-E170 HydrophobicContact CD1-CG 3.78Å; F158-E170 WeakPolarHBondContact CA-O 3.45Å; V159-E170 HydrophobicContact CB-CB 4.41Å; V159-E170 HydrophobicContact CB-CG 4.16Å; V159-E170 PolarHBondContact N-O 2.99Å; Q160-E170 HydrophobicContact CB-CB 3.84Å; Q160-E170 HydrophobicContact CG-CB 4.08Å; Q160-E170 PolarHBondContact O-N 3.27Å
171I94.8Very high87.6Confident0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-106.6114.1167.1-58.2173000108.9L113 L115 L139 L143 A156 K157 F158 M173L113-I171 HydrophobicContact CB-CB 4.33Å; L113-I171 PolarHBondContact N-O 3.03Å; L113-I171 PolarHBondContact O-N 3.1Å; L115-I171 HydrophobicContact CD1-CD1 4.17Å; L115-I171 HydrophobicContact CD1-CG1 4.41Å; L139-I171 HydrophobicContact CB-CD1 4.1Å; L139-I171 HydrophobicContact CD1-CD1 4.27Å; L143-I171 HydrophobicContact CD1-CG2 4.3Å; A156-I171 HydrophobicContact CB-CG2 4.49Å; K157-I171 CarbonylContact O-C 3.51Å; K157-I171 WeakPolarHBondContact O-CA 3.27Å; F158-I171 HydrophobicContact CD1-CG1 3.96Å; F158-I171 HydrophobicContact CD2-CG1 4.43Å; F158-I171 HydrophobicContact CE1-CD1 3.96Å; F158-I171 HydrophobicContact CE1-CG1 3.63Å; F158-I171 HydrophobicContact CE2-CD1 4.16Å; F158-I171 HydrophobicContact CE2-CG1 4.12Å; F158-I171 HydrophobicContact CG-CG1 4.35Å; F158-I171 HydrophobicContact CZ-CD1 3.62Å; F158-I171 HydrophobicContact CZ-CG1 3.71Å; I171-M173 HydrophobicContact CG2-SD 4.09Å
172R95.2Very high85.6Confident26 Ų2669 Ų6910%0.09836%0.364CS..EExtended strand (participates in β ladder)trans-82.3124.3173-173.569.7176.1176.1-1.8110N103 E110 S112 A156 K157 V159N103-R172 PolarHBondContact ND2-NH1 3.29Å; N103-R172 PolarHBondContact O-NH1 2.82Å; N103-R172 PolarHBondContact O-NH2 3.1Å; E110-R172 VanDerWaalsContact CB-NH2 3.27Å; E110-R172 IonicContact OE2-CZ 3.85Å; E110-R172 VanDerWaalsContact OE2-CZ 3.24Å; E110-R172 IonicContact OE2-NE 2.78Å; E110-R172 PolarHBondContact OE2-NE 3.3Å; E110-R172 IonicContact OE2-NH2 3.09Å; E110-R172 PolarHBondContact OE2-NH2 3.47Å; S112-R172 VanDerWaalsContact OG-CD 3.28Å; S112-R172 WeakPolarHBondContact OG-CD 3.48Å; S112-R172 PolarHBondContact OG-NH1 3.02Å; A156-R172 WeakPolarHBondContact CA-O 3.29Å; K157-R172 HydrophobicContact CG-CB 4.02Å; K157-R172 PolarHBondContact N-O 3.4Å; K157-R172 PolarHBondContact O-N 3.48Å; V159-R172 HydrophobicContact CG2-CB 3.53Å; V159-R172 HydrophobicContact CG2-CG 4.42Å
173M94.6Very high83.8Confident0 Ų073.7 Ų73.70%039%0.386CS..EExtended strand (participates in β ladder)trans-106.7130.8176.1-63.7-62.6-65.100109.5F79 E110 F111 L113 L143 L147 V154 E155 A156 I171F79-M173 HydrophobicContact CZ-CB 4.33Å; E110-M173 VanDerWaalsContact CA-O 3.26Å; E110-M173 WeakPolarHBondContact CA-O 3.13Å; F111-M173 HydrophobicContact CD1-CB 4.04Å; F111-M173 HydrophobicContact CD2-CB 4.06Å; F111-M173 HydrophobicContact CD2-CG 4.24Å; F111-M173 HydrophobicContact CE1-CB 3.73Å; F111-M173 HydrophobicContact CE1-CG 4.34Å; F111-M173 HydrophobicContact CE2-CB 3.75Å; F111-M173 HydrophobicContact CE2-CG 3.61Å; F111-M173 HydrophobicContact CG-CB 4.2Å; F111-M173 HydrophobicContact CZ-CB 3.58Å; F111-M173 HydrophobicContact CZ-CG 3.67Å; F111-M173 PolarHBondContact N-O 3.19Å; F111-M173 PolarHBondContact O-N 3.05Å; F111-M173 VanDerWaalsContact O-O 3.11Å; L113-M173 HydrophobicContact CD1-CG 4.03Å; L113-M173 HydrophobicContact CG-CG 4.37Å; L143-M173 HydrophobicContact CB-CE 4.18Å; L143-M173 HydrophobicContact CB-SD 4.44Å; L143-M173 HydrophobicContact CD1-SD 3.91Å; L147-M173 HydrophobicContact CD1-CE 3.68Å; V154-M173 HydrophobicContact CG2-CE 3.92Å; E155-M173 WeakPolarHBondContact O-CA 3.47Å; A156-M173 HydrophobicContact CB-CE 4.16Å; A156-M173 HydrophobicContact CB-SD 3.48Å; A156-M173 WeakPolarHBondContact CB-SD 3.27Å; I171-M173 HydrophobicContact CG2-SD 4.09Å
174R93.1Very high82.1Confident87 Ų8777.7 Ų77.733%0.32841%0.413SS..EExtended strand (participates in β ladder)trans-131.3123.4175.6170.7170.373.3-177.81.7110.7D109 E110 V154 E155D109-R174 CarbonylContact O-C 3.6Å; E110-R174 HydrophobicContact CG-CB 3.87Å; E110-R174 HydrophobicContact CG-CG 3.85Å; E110-R174 WeakPolarHBondContact OE1-CD 3.38Å; V154-R174 CarbonylContact C-O 3.52Å; V154-R174 WeakPolarHBondContact CA-O 3.4Å; V154-R174 WeakPolarHBondContact CB-O 3.36Å; E155-R174 HydrophobicContact CB-CB 4.29Å; E155-R174 PolarHBondContact N-O 3.37Å; E155-R174 PolarHBondContact O-N 3.2Å; E155-R174 IonicContact OE1-CZ 2.74Å; E155-R174 IonicContact OE1-NE 2.74Å; E155-R174 IonicContact OE1-NH2 3.69Å; E155-R174 PolarHBondContact OE1-NH2 3.18Å; E155-R174 IonicContact OE2-CZ 3.69Å; E155-R174 IonicContact OE2-NE 2.73Å; E155-R174 PolarHBondContact OE2-NE 2.7Å; E155-R174 IonicContact OE2-NH2 3.36Å; E155-R174 PolarHBondContact OE2-NH2 3.25Å; E155-R174 VanDerWaalsContact OE2-NH2 3.09Å
175F91.9Very high80.3Confident67 Ų6777.9 Ų77.929%0.29443%0.432SS..EExtended strand (participates in β ladder)trans-68.5129.4167.1-178-100.6000110.1F79 D109 M152 R178F79-F175 HydrophobicContact CD1-CB 3.91Å; F79-F175 HydrophobicContact CD2-CB 4.3Å; F79-F175 HydrophobicContact CD2-CD2 4.26Å; F79-F175 HydrophobicContact CE1-CB 3.8Å; F79-F175 HydrophobicContact CE2-CB 4.22Å; F79-F175 HydrophobicContact CE2-CD2 4.5Å; F79-F175 HydrophobicContact CG-CB 4.16Å; F79-F175 HydrophobicContact CZ-CB 3.96Å; D109-F175 HydrophobicContact CB-CB 4.35Å; D109-F175 WeakPolarHBondContact O-CB 3.41Å; D109-F175 PolarHBondContact O-N 2.93Å; M152-F175 HydrophobicContact CB-CE2 4.46Å; M152-F175 HydrophobicContact CG-CE2 4.28Å; F175-R178 HydrophobicContact CZ-CB 4.35Å; F175-R178 VanDerWaalsContact CZ-N 3.32Å
176I89.8Confident78.7Confident99 Ų9977.9 Ų77.951%0.50843%0.432SS..EExtended strand (participates in β ladder)trans-101.3-54.1178.4-55.9171.4000109.5A153 E155A153-I176 HydrophobicContact CB-CB 4.41Å; A153-I176 WeakPolarHBondContact O-CB 3.07Å; A153-I176 PolarHBondContact O-N 3.18Å; E155-I176 HydrophobicContact CB-CD1 4.2Å; E155-I176 HydrophobicContact CB-CG1 4.5Å
177R88.2Confident76.7Confident146 Ų14684.7 Ų84.755%0.55146%0.462SS*.EExtended strand (participates in β ladder)trans-166.5159.5-179.159.5-175.2-177.793.70.9111.3A153A153-R177 HydrophobicContact CB-CG 3.81Å; A153-R177 WeakPolarHBondContact CB-O 3.49Å; A153-R177 PolarHBondContact N-O 3.06Å; A153-R177 PolarHBondContact O-N 3.15Å
178R85.8Confident74.4Confident121 Ų12193.8 Ų93.846%0.45749%0.485SS..EExtended strand (participates in β ladder)trans-75.1143.2161.8-150.2169.8-167.8127.110.1108.6Q151 F175Q151-R178 WeakPolarHBondContact O-CA 3.26Å; Q151-R178 WeakPolarHBondContact O-CG 3.29Å; F175-R178 HydrophobicContact CZ-CB 4.35Å; F175-R178 VanDerWaalsContact CZ-N 3.32Å
179I83.5Confident73.6Confident40 Ų4096.5 Ų96.521%0.20550%0.496CS..PPolyproline II helixtrans-92.3120.3173.8-56.5174.5000106.5E148 Q151 A153E148-I179 HydrophobicContact CG-CD1 3.7Å; Q151-I179 HydrophobicContact CB-CB 4.24Å; Q151-I179 WeakPolarHBondContact CB-O 3.31Å; Q151-I179 PolarHBondContact O-N 3.01Å; A153-I179 HydrophobicContact CB-CD1 4.13Å; A153-I179 HydrophobicContact CB-CG1 3.99Å
180E77Confident72.6Confident162 Ų162101.5 Ų101.576%0.75752%0.522SS*.PPolyproline II helixtrans-91.5125.7174.6-65.2179.6167.400108.3N182E180-N182 VanDerWaalsContact C-N 3.33Å; E180-N182 PolarHBondContact O-N 3.16Å
181D58.5Low71.4Confident112 Ų112106.1 Ų106.160%0.59955%0.546SS*.  trans-70.995168.7-70.9-31.2000107.9Q151 L183Q151-D181 PolarHBondContact NE2-OD2 3.47Å; D181-L183 PolarHBondContact O-N 2.86Å
182N46.8Very low70Confident150 Ų150112.3 Ų112.380%0.80258%0.578SS**  trans-6585.3160-101.110.5000107.8E180E180-N182 VanDerWaalsContact C-N 3.33Å; E180-N182 PolarHBondContact O-N 3.16Å
183L51.5Low68.4Low152 Ų152117.7 Ų117.780%0.79661%0.608SS**PPolyproline II helixtrans-50.4122.8156.3-73.6164.8000106.5D181 A185D181-L183 PolarHBondContact O-N 2.86Å; L183-A185 PolarHBondContact O-N 2.78Å
184P49.9Very low66.7Low115 Ų115125.5 Ų125.575%0.74765%0.649SS**PPolyproline II helixtrans-55.8129.8167.424.8-31.8000106.7G186P184-G186 PolarHBondContact O-N 3.21Å; P184-G186 VanDerWaalsContact O-N 3.13Å
185A49.4Very low64.8Low96 Ų96128.3 Ų128.379%0.79367%0.672SS**PPolyproline II helixtrans-51.9125.2178.300000108L183 E187L183-A185 PolarHBondContact O-N 2.78Å; A185-E187 PolarHBondContact O-N 3.06Å
186G51.1Low62.7Low70 Ų70133 Ų13372%0.72270%0.701SS**PPolyproline II helixtrans-56.2130.1-176.300000109.9P184 E188P184-G186 PolarHBondContact O-N 3.21Å; P184-G186 VanDerWaalsContact O-N 3.13Å; G186-E188 PolarHBondContact O-N 3.02Å
187E45.2Very low60.4Low201 Ų201135.8 Ų135.894%0.93972%0.717SS**  trans-66.6111.6164.7-64.7-178.6155.100107A185A185-E187 PolarHBondContact O-N 3.06Å
188E38.3Very low57.9Low265 Ų265134.9 Ų134.9100%1.23873%0.732SS**  trans-72.70167.5-67.3-170.2152.700111.4G186G186-E188 PolarHBondContact O-N 3.02Å

Retrieved 188 of 188 residues in 59.3 ms (Link to these results)

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