A0A087XJK5_POEFO Loading...

Platelet-derived growth factor beta polypeptide a

AlphaFold DB , UniProt , Accession A0A087XJK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M51.7Low63.1Low244 Ų244139.3 Ų139.3100%1.20271%0.706SS**  081.10-59.4165.7-17500110.3
2K55.7Low63.4Low196 Ų196132.8 Ų132.885%0.85269%0.689SS**  trans-145-0.7-178.9-69-169.4178.7-179.80116.5
3S58.8Low63.4Low92 Ų92126.8 Ų126.864%0.64367%0.671SS**SBendtrans-94.2-19.9-169.9-176.50000115.2V5S3-V5 PolarHBondContact O-N 3.45Å
4W60.9Low63.4Low243 Ų243124.8 Ų124.892%0.9266%0.66SS**THydrogen-bonded Turntrans-83-10.2-170-74.229.7000115.1P8W4-P8 WeakPolarHBondContact O-CD 3.38Å
5V64Low63.2Low109 Ų109123.4 Ų123.466%0.66165%0.653SS**THydrogen-bonded Turntrans-89.7-21.9-179.5-174.70000112.3S3 P8S3-V5 PolarHBondContact O-N 3.45Å; V5-P8 WeakPolarHBondContact O-CD 3.41Å; V5-P8 WeakPolarHBondContact O-CG 3.4Å
6L62.3Low62.8Low117 Ų117120.3 Ų120.361%0.61364%0.644SS**Hα-helixtrans-75.1-34.1-176.6-64.6173.8000112.9L9 L10L6-L9 PolarHBondContact O-N 3.39Å; L6-L10 PolarHBondContact O-N 3.45Å
7L66.1Low62.2Low124 Ų124116.7 Ų116.765%0.64964%0.635SS**Hα-helixtrans-62.8-49.5-179.2-158.376.6000113.6L9 L10 L11L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-L11 HydrophobicContact CG-CD1 4.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 PolarHBondContact O-N 2.92Å; L7-L11 VanDerWaalsContact O-N 3.11Å
8P68.5Low61.6Low78 Ų78120.6 Ų120.651%0.50664%0.639SS.*Hα-helixtrans-67.2-30.9175.726.3-34.9000112.8W4 V5 L11 A12W4-P8 WeakPolarHBondContact O-CD 3.38Å; V5-P8 WeakPolarHBondContact O-CD 3.41Å; V5-P8 WeakPolarHBondContact O-CG 3.4Å; P8-L11 PolarHBondContact O-N 3.47Å; P8-A12 WeakPolarHBondContact O-CB 3.39Å; P8-A12 PolarHBondContact O-N 3.11Å
9L67.5Low60.9Low120 Ų120121.7 Ų121.763%0.62864%0.644SS**Hα-helixtrans-66.1-41.6176.5-152.184.7000111.5L6 L7 A12 A13L6-L9 PolarHBondContact O-N 3.39Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.97Å; L9-A12 PolarHBondContact O-N 3.03Å; L9-A13 PolarHBondContact O-N 3.38Å
10L68.9Low60.3Low114 Ų114127.2 Ų127.260%0.59766%0.656SS**Hα-helixtrans-67.1-40.7176.8-151.391.8000111.8L6 L7 A13 L14L6-L10 PolarHBondContact O-N 3.45Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 3.49Å; L10-L14 HydrophobicContact CD2-CD1 4.37Å; L10-L14 WeakPolarHBondContact O-CB 3.26Å; L10-L14 PolarHBondContact O-N 3.16Å
11L69.4Low59.6Low95 Ų95128.3 Ų128.350%0.49766%0.662SS.*Hα-helixtrans-63.1-43.1172.9-96.488.4000111.8L7 P8 A13 L14 L15L7-L11 HydrophobicContact CG-CD1 4.41Å; L7-L11 WeakPolarHBondContact O-CD1 3.47Å; L7-L11 PolarHBondContact O-N 2.92Å; L7-L11 VanDerWaalsContact O-N 3.11Å; P8-L11 PolarHBondContact O-N 3.47Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.2Å; L11-L15 WeakPolarHBondContact O-CD1 3.35Å; L11-L15 PolarHBondContact O-N 3.43Å
12A66.8Low59.1Low61 Ų61119 Ų11950%0.50463%0.629SS.*Hα-helixtrans-61.6-40.4177.700000112.2P8 L9 L15 S16P8-A12 WeakPolarHBondContact O-CB 3.39Å; P8-A12 PolarHBondContact O-N 3.11Å; L9-A12 PolarHBondContact O-N 3.03Å; A12-L15 PolarHBondContact O-N 2.97Å; A12-S16 WeakPolarHBondContact O-CB 3.13Å; A12-S16 PolarHBondContact O-N 3.42Å; A12-S16 PolarHBondContact O-OG 2.99Å
13A64.1Low58.4Low55 Ų55116.9 Ų116.946%0.45563%0.627SS.*Hα-helixtrans-64.2-42.1173.100000112.4L9 L10 L11 S16 A17L9-A13 PolarHBondContact O-N 3.38Å; L10-A13 PolarHBondContact O-N 3.49Å; L11-A13 VanDerWaalsContact C-N 3.33Å; L11-A13 PolarHBondContact O-N 2.87Å; A13-S16 PolarHBondContact O-N 3.47Å; A13-S16 PolarHBondContact O-OG 3.33Å; A13-A17 WeakPolarHBondContact O-CB 3.49Å; A13-A17 PolarHBondContact O-N 3.4Å
14L63.4Low57.9Low99 Ų99117.5 Ų117.552%0.51864%0.638SS.*Hα-helixtrans-66-38.9176.6-83.3158.9000112.7L10 L11 R18L10-L14 HydrophobicContact CD2-CD1 4.37Å; L10-L14 WeakPolarHBondContact O-CB 3.26Å; L10-L14 PolarHBondContact O-N 3.16Å; L11-L14 PolarHBondContact O-N 3.2Å; L14-R18 VanDerWaalsContact O-CG 3.24Å; L14-R18 WeakPolarHBondContact O-CG 3.24Å; L14-R18 PolarHBondContact O-N 3.06Å; L14-R18 VanDerWaalsContact O-N 3.16Å
15L59.4Low57.3Low104 Ų104114 Ų11455%0.54563%0.632SS.*Hα-helixtrans-68.9-41.1174.2-87.591.4000112.1L11 A12 A17 R18 L19L11-L15 WeakPolarHBondContact O-CD1 3.35Å; L11-L15 PolarHBondContact O-N 3.43Å; A12-L15 PolarHBondContact O-N 2.97Å; L15-A17 PolarHBondContact O-N 3.43Å; L15-R18 PolarHBondContact O-N 3.02Å; L15-R18 VanDerWaalsContact O-N 3.16Å; L15-L19 VanDerWaalsContact O-CD1 3.26Å; L15-L19 WeakPolarHBondContact O-CD1 3.39Å; L15-L19 PolarHBondContact O-N 3.16Å
16S57.8Low56.5Low74 Ų74111.6 Ų111.652%0.51763%0.628SS.*Hα-helixtrans-66.8-36178.769.90000112.6A12 A13 R18 L19 R20A12-S16 WeakPolarHBondContact O-CB 3.13Å; A12-S16 PolarHBondContact O-N 3.42Å; A12-S16 PolarHBondContact O-OG 2.99Å; A13-S16 PolarHBondContact O-N 3.47Å; A13-S16 PolarHBondContact O-OG 3.33Å; S16-R18 VanDerWaalsContact C-N 3.34Å; S16-L19 PolarHBondContact O-N 3Å; S16-R20 PolarHBondContact O-N 3.25Å
17A53Low56.5Low59 Ų59113.5 Ų113.549%0.48864%0.639SS.*Hα-helixtrans-64.4-35.7171.300000112.6A13 L15 R20 L21A13-A17 WeakPolarHBondContact O-CB 3.49Å; A13-A17 PolarHBondContact O-N 3.4Å; L15-A17 PolarHBondContact O-N 3.43Å; A17-R20 PolarHBondContact O-N 2.92Å; A17-L21 PolarHBondContact O-N 2.88Å
18R51.3Low56.6Low187 Ų187112.6 Ų112.671%0.70664%0.641SS**Hα-helixtrans-72.1-31.2176.4-70.1-70.9-178.1-174.4-0.6113.3L14 L15 S16L14-R18 VanDerWaalsContact O-CG 3.24Å; L14-R18 WeakPolarHBondContact O-CG 3.24Å; L14-R18 PolarHBondContact O-N 3.06Å; L14-R18 VanDerWaalsContact O-N 3.16Å; L15-R18 PolarHBondContact O-N 3.02Å; L15-R18 VanDerWaalsContact O-N 3.16Å; S16-R18 VanDerWaalsContact C-N 3.34Å
19L47.8Very low56.7Low141 Ų141114.2 Ų114.274%0.73864%0.644SS**Hα-helixtrans-73.6-26.5172.7-88.691.4000113.6L15 S16L15-L19 VanDerWaalsContact O-CD1 3.26Å; L15-L19 WeakPolarHBondContact O-CD1 3.39Å; L15-L19 PolarHBondContact O-N 3.16Å; S16-L19 PolarHBondContact O-N 3Å
20R48.8Very low57.3Low232 Ų232112 Ų11288%0.87564%0.637SS**Hα-helixtrans-80.5-10.5174.9-77.8-161.5175.5-1510.4114.9S16 A17S16-R20 PolarHBondContact O-N 3.25Å; A17-R20 PolarHBondContact O-N 2.92Å
21L44.6Very low57.5Low150 Ų150111.6 Ų111.679%0.78563%0.633SS**THydrogen-bonded Turntrans-99.114179.2-143.574.6000113.5A17A17-L21 PolarHBondContact O-N 2.88Å
22G42.4Very low57.7Low50 Ų50110.4 Ų110.452%0.51563%0.632SS.*SBendtrans-132.445.5-172.200000113.6
23N41.4Very low58.3Low150 Ų150109.7 Ų109.780%0.80262%0.619SS**  trans-162.470.5160.4-91.3-26.8000109.4E25N23-E25 PolarHBondContact O-N 3.49Å; N23-E25 VanDerWaalsContact O-N 3.16Å
24A47.5Very low59Low105 Ų105108.5 Ų108.587%0.86861%0.605SS**  trans-80.671.9154.100000107.5G26A24-G26 VanDerWaalsContact C-N 3.34Å; A24-G26 PolarHBondContact O-N 3.47Å
25E48.4Very low59.6Low171 Ų171107 Ų10780%0.79960%0.597SS**  trans-60.9105.8156.9-169.174.5-130.900104.3N23 D27N23-E25 PolarHBondContact O-N 3.49Å; N23-E25 VanDerWaalsContact O-N 3.16Å; E25-D27 PolarHBondContact O-N 3.45Å
26G47.7Very low60.6Low57 Ų57104.6 Ų104.659%0.58859%0.585SS**PPolyproline II helixtrans-61.1133.8-173.700000109.4A24 P28A24-G26 VanDerWaalsContact C-N 3.34Å; A24-G26 PolarHBondContact O-N 3.47Å; G26-P28 VanDerWaalsContact O-N 3.09Å
27D60.9Low61.8Low158 Ų158103 Ų10385%0.84557%0.572SS**PPolyproline II helixtrans-49.8122.4178.9-84.5-46.5000109.2E25 L29E25-D27 PolarHBondContact O-N 3.45Å; D27-L29 PolarHBondContact O-N 3.46Å
28P69.1Low62.9Low105 Ų105104.1 Ų104.168%0.68256%0.564SS**PPolyproline II helixtrans-62.3134.9-177.925.6-33.2000108.3G26G26-P28 VanDerWaalsContact O-N 3.09Å
29L69.8Low64Low111 Ų111101.6 Ų101.658%0.58156%0.564SS**  trans-45.8136.2175.4-105.969000109.9D27 Q31 L33 I34D27-L29 PolarHBondContact O-N 3.46Å; L29-Q31 PolarHBondContact O-N 3.49Å; L29-L33 HydrophobicContact CD2-CD2 4.24Å; L29-I34 HydrophobicContact CB-CD1 3.83Å; L29-I34 HydrophobicContact CB-CG1 4.01Å; L29-I34 WeakPolarHBondContact O-CD1 3.13Å
30P79.8Confident65.4Low74 Ų7495.8 Ų95.848%0.48154%0.535SS..  trans-59132.6-17721.1-30.9000110.3S32 L33 I34P30-S32 PolarHBondContact O-N 2.9Å; P30-S32 VanDerWaalsContact O-N 3.1Å; P30-L33 HydrophobicContact CG-CB 3.94Å; P30-L33 PolarHBondContact O-N 3.01Å; P30-I34 PolarHBondContact O-N 2.75Å; P30-I34 VanDerWaalsContact O-N 3.14Å
31Q74.1Confident66.2Low106 Ų10690.5 Ų90.550%0.49553%0.531SS..Hα-helixtrans-58.9-26.9-175.5-65.5-66-4300112.4L29 I34 D35L29-Q31 PolarHBondContact O-N 3.49Å; Q31-I34 WeakPolarHBondContact O-CB 3.39Å; Q31-I34 PolarHBondContact O-N 2.83Å; Q31-D35 WeakPolarHBondContact O-CB 3.15Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 3.16Å
32S73.9Confident67.7Low70 Ų7084.6 Ų84.649%0.4950%0.5SS..Hα-helixtrans-63.1-45.1172.948.90000113.5P30 I34 D35 L36P30-S32 PolarHBondContact O-N 2.9Å; P30-S32 VanDerWaalsContact O-N 3.1Å; S32-I34 VanDerWaalsContact C-N 3.33Å; S32-D35 PolarHBondContact O-N 3.07Å; S32-L36 WeakPolarHBondContact O-CB 3.44Å; S32-L36 PolarHBondContact O-N 3.37Å
33L78.7Confident69Low45 Ų4587.2 Ų87.224%0.23651%0.51CS..Hα-helixtrans-68.6-38178.1-163.586.9000111.2L29 P30 V37 L52 Q55L29-L33 HydrophobicContact CD2-CD2 4.24Å; P30-L33 HydrophobicContact CG-CB 3.94Å; P30-L33 PolarHBondContact O-N 3.01Å; L33-V37 WeakPolarHBondContact O-CB 3.48Å; L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.17Å; L33-V37 PolarHBondContact O-N 2.92Å; L33-L52 HydrophobicContact CD1-CD2 3.54Å; L33-L52 HydrophobicContact CD2-CD2 3.87Å; L33-L52 HydrophobicContact CG-CD2 3.67Å; L33-Q55 HydrophobicContact CD1-CG 4.44Å
34I78.9Confident70.6Confident30 Ų3081.9 Ų81.915%0.15449%0.485CS..Hα-helixtrans-55.4-67.9170.2-73.6172.4000107.7L29 P30 Q31 S32 L36 V37 W38L29-I34 HydrophobicContact CB-CD1 3.83Å; L29-I34 HydrophobicContact CB-CG1 4.01Å; L29-I34 WeakPolarHBondContact O-CD1 3.13Å; P30-I34 PolarHBondContact O-N 2.75Å; P30-I34 VanDerWaalsContact O-N 3.14Å; Q31-I34 WeakPolarHBondContact O-CB 3.39Å; Q31-I34 PolarHBondContact O-N 2.83Å; S32-I34 VanDerWaalsContact C-N 3.33Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.42Å; I34-V37 WeakPolarHBondContact O-CA 3.31Å; I34-V37 WeakPolarHBondContact O-CB 3.29Å; I34-V37 PolarHBondContact O-N 3.34Å; I34-W38 PolarHBondContact O-N 3.3Å; I34-W38 PolarHBondContact O-NE1 3.29Å
35D77.1Confident72.3Confident67 Ų6778.6 Ų78.636%0.35845%0.454SS..Hα-helixtrans-60.4-37.4-171.8-67.1-21.5000112.7Q31 S32 V37 W38 D39 R133Q31-D35 WeakPolarHBondContact O-CB 3.15Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 3.16Å; S32-D35 PolarHBondContact O-N 3.07Å; D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 2.99Å; D35-W38 PolarHBondContact O-N 3.29Å; D35-W38 VanDerWaalsContact O-N 3.11Å; D35-D39 PolarHBondContact O-N 2.79Å; D35-R133 IonicContact OD1-NH2 3.86Å
36L80.4Confident73.9Confident54 Ų5475.1 Ų75.128%0.28344%0.438SS..Hα-helixtrans-56.4-42.2171.9-179.364.6000112.5S32 I34 S40 Q55S32-L36 WeakPolarHBondContact O-CB 3.44Å; S32-L36 PolarHBondContact O-N 3.37Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.42Å; L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.21Å; L36-S40 PolarHBondContact O-N 3.03Å; L36-S40 PolarHBondContact O-OG 3.32Å; L36-Q55 HydrophobicContact CD2-CB 4.11Å; L36-Q55 HydrophobicContact CD2-CG 4.5Å
37V82.3Confident75.5Confident40 Ų4074.7 Ų74.724%0.24242%0.422CS..Hα-helixtrans-74.3-30.8177168.20000112.1L33 I34 D35 I42 L48 L52L33-V37 WeakPolarHBondContact O-CB 3.48Å; L33-V37 VanDerWaalsContact O-CG2 3.26Å; L33-V37 WeakPolarHBondContact O-CG2 3.17Å; L33-V37 PolarHBondContact O-N 2.92Å; I34-V37 WeakPolarHBondContact O-CA 3.31Å; I34-V37 WeakPolarHBondContact O-CB 3.29Å; I34-V37 PolarHBondContact O-N 3.34Å; D35-V37 VanDerWaalsContact C-N 3.31Å; D35-V37 PolarHBondContact O-N 2.99Å; V37-I42 HydrophobicContact CB-CD1 4.3Å; V37-I42 HydrophobicContact CG1-CD1 3.84Å; V37-I42 HydrophobicContact CG2-CD1 4.41Å; V37-L48 HydrophobicContact CG1-CD1 4Å; V37-L48 HydrophobicContact CG2-CD1 3.69Å; V37-L52 HydrophobicContact CG2-CD2 4.11Å
38W76.4Confident76.4Confident83 Ų8369.7 Ų69.731%0.31440%0.395SS..Hα-helixtrans-73.8-37.5177.8-66104.6000112.8I34 D35 N131 S132 R133I34-W38 PolarHBondContact O-N 3.3Å; I34-W38 PolarHBondContact O-NE1 3.29Å; D35-W38 PolarHBondContact O-N 3.29Å; D35-W38 VanDerWaalsContact O-N 3.11Å; W38-N131 WeakPolarHBondContact CZ3-O 3.38Å; W38-S132 VanDerWaalsContact CE3-CA 3.47Å; W38-S132 WeakPolarHBondContact O-CB 3.45Å; W38-R133 HydrophobicContact CE3-CB 3.85Å; W38-R133 HydrophobicContact CE3-CG 3.83Å; W38-R133 HydrophobicContact CH2-CB 4.24Å; W38-R133 HydrophobicContact CZ3-CB 3.51Å; W38-R133 HydrophobicContact CZ3-CG 3.97Å
39D73.8Confident77Confident134 Ų13470 Ų7072%0.71739%0.385SS*.Hα-helixtrans-91.4-15.3-174.1-70.3-18.8000114.1D35D35-D39 PolarHBondContact O-N 2.79Å
40S77.2Confident77.6Confident19 Ų1970.1 Ų70.113%0.13339%0.386CS..SBendtrans-81.8147.4179.6-63.10000113.7L36 I42 L51 N131L36-S40 VanDerWaalsContact O-CB 3.27Å; L36-S40 WeakPolarHBondContact O-CB 3.21Å; L36-S40 PolarHBondContact O-N 3.03Å; L36-S40 PolarHBondContact O-OG 3.32Å; S40-I42 PolarHBondContact O-N 3.34Å; S40-L51 VanDerWaalsContact CB-CD1 3.48Å; S40-N131 PolarHBondContact O-ND2 3.22Å
41P65.2Low77.7Confident121 Ų12168.2 Ų68.279%0.78637%0.372SS*.  trans-79.761.3177.134.6-36.8000112.5S43P41-S43 PolarHBondContact O-N 3.41Å
42I77.5Confident77.9Confident27 Ų2765.7 Ų65.714%0.13836%0.361CS..  trans-67.7123.9176.7-48.3-170.1000110.7V37 S40 S44 D47 L48 L51 N131V37-I42 HydrophobicContact CB-CD1 4.3Å; V37-I42 HydrophobicContact CG1-CD1 3.84Å; V37-I42 HydrophobicContact CG2-CD1 4.41Å; S40-I42 PolarHBondContact O-N 3.34Å; I42-S44 WeakPolarHBondContact CG2-O 3.23Å; I42-D47 HydrophobicContact CG2-CB 4.13Å; I42-L48 HydrophobicContact CD1-CB 4.44Å; I42-L48 HydrophobicContact CD1-CD1 3.73Å; I42-L48 HydrophobicContact CG2-CB 3.99Å; I42-L51 HydrophobicContact CD1-CD1 3.69Å; I42-L51 HydrophobicContact CG1-CD1 3.52Å; I42-N131 PolarHBondContact N-ND2 3.24Å; I42-N131 PolarHBondContact O-ND2 2.84Å; I42-N131 VanDerWaalsContact O-ND2 3.13Å; I42-N131 PolarHBondContact O-OD1 3.28Å
43S69.4Low78Confident104 Ų10468.2 Ų68.273%0.72737%0.365SS*.  trans-116.2-30175.776.20000113.2P41 D47P41-S43 PolarHBondContact O-N 3.41Å; S43-D47 WeakPolarHBondContact CA-OD2 3.39Å; S43-D47 WeakPolarHBondContact CB-OD2 3.21Å; S43-D47 PolarHBondContact N-OD2 3.29Å; S43-D47 PolarHBondContact OG-OD2 3.36Å
44S75.6Confident77.7Confident38 Ų3872.3 Ų72.327%0.26638%0.383SS..SBendtrans-125.9173.3-178.683.20000112.9I42 E46 D47 L48I42-S44 WeakPolarHBondContact CG2-O 3.23Å; S44-E46 VanDerWaalsContact C-N 3.29Å; S44-E46 PolarHBondContact OG-N 3.07Å; S44-D47 PolarHBondContact N-OD2 3.39Å; S44-D47 PolarHBondContact OG-N 3.34Å; S44-D47 PolarHBondContact OG-OD1 3.41Å; S44-L48 PolarHBondContact O-N 3.41Å
45V81.8Confident77Confident36 Ų3674.1 Ų74.122%0.21839%0.391CS..Hα-helixtrans-77.2-24.4173.2173.80000111L48 K49 Q87V45-L48 PolarHBondContact O-N 2.99Å; V45-K49 HydrophobicContact CG1-CD 4.39Å; V45-K49 VanDerWaalsContact O-CG 3.29Å; V45-K49 WeakPolarHBondContact O-CG 3.3Å; V45-K49 PolarHBondContact O-N 2.81Å; V45-Q87 HydrophobicContact CB-CG 4.33Å; V45-Q87 HydrophobicContact CG2-CG 3.62Å
46E82Confident76.2Confident99 Ų9977.2 Ų77.246%0.46340%0.404SS..Hα-helixtrans-71-41.9176.6-67.850.2-116.700109.4S44 L48 K49 L50S44-E46 VanDerWaalsContact C-N 3.29Å; S44-E46 PolarHBondContact OG-N 3.07Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.43Å; E46-K49 PolarHBondContact O-N 3.45Å; E46-K49 IonicContact OE1-NZ 2.87Å; E46-K49 PolarHBondContact OE1-NZ 3.43Å; E46-L50 WeakPolarHBondContact O-CB 3.26Å; E46-L50 VanDerWaalsContact O-CG 3.3Å; E46-L50 WeakPolarHBondContact O-CG 3.44Å; E46-L50 PolarHBondContact O-N 3.45Å
47D81Confident75Confident47 Ų4778.8 Ų78.825%0.25142%0.419SS..Hα-helixtrans-58.1-44.7170.9-51.2-5000110.8I42 S43 S44 L50 L51I42-D47 HydrophobicContact CG2-CB 4.13Å; S43-D47 WeakPolarHBondContact CA-OD2 3.39Å; S43-D47 WeakPolarHBondContact CB-OD2 3.21Å; S43-D47 PolarHBondContact N-OD2 3.29Å; S43-D47 PolarHBondContact OG-OD2 3.36Å; S44-D47 PolarHBondContact N-OD2 3.39Å; S44-D47 PolarHBondContact OG-N 3.34Å; S44-D47 PolarHBondContact OG-OD1 3.41Å; D47-L50 PolarHBondContact O-N 3.43Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.27Å
48L81.5Confident73.3Confident54 Ų5480.7 Ų80.728%0.28343%0.434SS..Hα-helixtrans-63.5-46.1178176.464000111.3V37 I42 S44 V45 E46 L50 L51 L52V37-L48 HydrophobicContact CG1-CD1 4Å; V37-L48 HydrophobicContact CG2-CD1 3.69Å; I42-L48 HydrophobicContact CD1-CB 4.44Å; I42-L48 HydrophobicContact CD1-CD1 3.73Å; I42-L48 HydrophobicContact CG2-CB 3.99Å; S44-L48 PolarHBondContact O-N 3.41Å; V45-L48 PolarHBondContact O-N 2.99Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.43Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.32Å; L48-L52 HydrophobicContact CD1-CD1 3.99Å; L48-L52 HydrophobicContact CD1-CG 4.15Å; L48-L52 HydrophobicContact CG-CD1 3.92Å; L48-L52 HydrophobicContact CG-CG 4.48Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.01Å
49K81.4Confident71.8Confident110 Ų11081.5 Ų81.548%0.47845%0.449SS..Hα-helixtrans-58.5-46.7175.9-73.6163.5-175.8157.50111V45 E46 L51 L52 Q53V45-K49 HydrophobicContact CG1-CD 4.39Å; V45-K49 VanDerWaalsContact O-CG 3.29Å; V45-K49 WeakPolarHBondContact O-CG 3.3Å; V45-K49 PolarHBondContact O-N 2.81Å; E46-K49 PolarHBondContact O-N 3.45Å; E46-K49 IonicContact OE1-NZ 2.87Å; E46-K49 PolarHBondContact OE1-NZ 3.43Å; K49-L51 PolarHBondContact O-N 3.06Å; K49-L52 PolarHBondContact O-N 3.1Å; K49-Q53 VanDerWaalsContact O-CB 3.23Å; K49-Q53 WeakPolarHBondContact O-CB 3.4Å; K49-Q53 PolarHBondContact O-N 3.19Å
50L82.3Confident70.6Confident115 Ų11582 Ų8260%0.60245%0.45SS*.Hα-helixtrans-59.7-45.4178.9-72.5169.2000111.9E46 D47 L48 Q53 Q54E46-L50 WeakPolarHBondContact O-CB 3.26Å; E46-L50 VanDerWaalsContact O-CG 3.3Å; E46-L50 WeakPolarHBondContact O-CG 3.44Å; E46-L50 PolarHBondContact O-N 3.45Å; D47-L50 PolarHBondContact O-N 3.43Å; L48-L50 VanDerWaalsContact C-N 3.35Å; L48-L50 PolarHBondContact O-N 3.09Å; L50-Q53 PolarHBondContact O-N 3.17Å; L50-Q54 VanDerWaalsContact O-CB 3.29Å; L50-Q54 WeakPolarHBondContact O-CB 3.49Å; L50-Q54 PolarHBondContact O-N 3.1Å
51L80.4Confident69.4Low34 Ų3489.9 Ų89.918%0.17848%0.484CS..Hα-helixtrans-63.9-40.9177.8-73.3164.5000113.1S40 I42 D47 L48 K49 Q55S40-L51 VanDerWaalsContact CB-CD1 3.48Å; I42-L51 HydrophobicContact CD1-CD1 3.69Å; I42-L51 HydrophobicContact CG1-CD1 3.52Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.27Å; L48-L51 PolarHBondContact O-N 3.32Å; K49-L51 PolarHBondContact O-N 3.06Å; L51-Q55 PolarHBondContact O-N 3.14Å
52L79.8Confident68.4Low52 Ų5290.9 Ų90.927%0.27248%0.483SS..Hα-helixtrans-65.9-44.3176.8-66.2169.7000111L33 V37 L48 K49 Q54 Q55 E56L33-L52 HydrophobicContact CD1-CD2 3.54Å; L33-L52 HydrophobicContact CD2-CD2 3.87Å; L33-L52 HydrophobicContact CG-CD2 3.67Å; V37-L52 HydrophobicContact CG2-CD2 4.11Å; L48-L52 HydrophobicContact CD1-CD1 3.99Å; L48-L52 HydrophobicContact CD1-CG 4.15Å; L48-L52 HydrophobicContact CG-CD1 3.92Å; L48-L52 HydrophobicContact CG-CG 4.48Å; L48-L52 WeakPolarHBondContact O-CG 3.35Å; L48-L52 PolarHBondContact O-N 3.01Å; K49-L52 PolarHBondContact O-N 3.1Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.14Å; L52-Q55 WeakPolarHBondContact O-CB 3.29Å; L52-Q55 PolarHBondContact O-N 3.45Å; L52-E56 PolarHBondContact O-N 3.42Å
53Q76.4Confident66.8Low123 Ų12398.2 Ų98.258%0.57551%0.514SS*.Hα-helixtrans-71.1-28.8-178.4-161167.69.700112.4K49 L50 Q55 E56 S57K49-Q53 VanDerWaalsContact O-CB 3.23Å; K49-Q53 WeakPolarHBondContact O-CB 3.4Å; K49-Q53 PolarHBondContact O-N 3.19Å; L50-Q53 PolarHBondContact O-N 3.17Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 3.46Å; Q53-E56 PolarHBondContact O-N 3.34Å; Q53-S57 PolarHBondContact O-N 3.44Å; Q53-S57 VanDerWaalsContact O-N 3.16Å
54Q72.2Confident66Low131 Ų131102.3 Ų102.361%0.61252%0.521SS*.Hα-helixtrans-66.6-33173.2-167.5168.415.900112.2L50 L52 S57 S58L50-Q54 VanDerWaalsContact O-CB 3.29Å; L50-Q54 WeakPolarHBondContact O-CB 3.49Å; L50-Q54 PolarHBondContact O-N 3.1Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.14Å; Q54-S57 PolarHBondContact O-N 3.39Å; Q54-S57 PolarHBondContact O-OG 3.1Å; Q54-S58 PolarHBondContact O-N 2.79Å
55Q63.4Low64.3Low68 Ų68108.1 Ų108.132%0.31855%0.55SS..Hα-helixtrans-70.7-34.8173.7-17569.118.800112.4L33 L36 L51 L52 Q53 S57 S58L33-Q55 HydrophobicContact CD1-CG 4.44Å; L36-Q55 HydrophobicContact CD2-CB 4.11Å; L36-Q55 HydrophobicContact CD2-CG 4.5Å; L51-Q55 PolarHBondContact O-N 3.14Å; L52-Q55 WeakPolarHBondContact O-CB 3.29Å; L52-Q55 PolarHBondContact O-N 3.45Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 3.46Å; Q55-S57 VanDerWaalsContact C-N 3.32Å; Q55-S58 PolarHBondContact O-N 3.24Å; Q55-S58 PolarHBondContact O-OG 3.45Å; Q55-S58 VanDerWaalsContact O-OG 3.06Å
56E61Low63Low133 Ų133115.2 Ų115.262%0.62158%0.58SS**Hα-helixtrans-67.6-34.8174.5-66.3176.4164.500111.4L52 Q53 S58 T59L52-E56 PolarHBondContact O-N 3.42Å; Q53-E56 PolarHBondContact O-N 3.34Å; E56-S58 VanDerWaalsContact C-N 3.3Å; E56-S58 PolarHBondContact O-N 2.89Å; E56-T59 PolarHBondContact O-OG1 3.03Å
57S54.7Low61.2Low86 Ų86119.5 Ų119.560%0.60160%0.6SS**Hα-helixtrans-72.9-15.7177.973.80000115Q53 Q54 Q55Q53-S57 PolarHBondContact O-N 3.44Å; Q53-S57 VanDerWaalsContact O-N 3.16Å; Q54-S57 PolarHBondContact O-N 3.39Å; Q54-S57 PolarHBondContact O-OG 3.1Å; Q55-S57 VanDerWaalsContact C-N 3.32Å
58S47.2Very low59.6Low80 Ų80123.6 Ų123.656%0.55962%0.622SS**THydrogen-bonded Turntrans-97.74.8-177640000114.4Q54 Q55 E56Q54-S58 PolarHBondContact O-N 2.79Å; Q55-S58 PolarHBondContact O-N 3.24Å; Q55-S58 PolarHBondContact O-OG 3.45Å; Q55-S58 VanDerWaalsContact O-OG 3.06Å; E56-S58 VanDerWaalsContact C-N 3.3Å; E56-S58 PolarHBondContact O-N 2.89Å
59T44.4Very low57.9Low101 Ų101125.8 Ų125.862%0.6264%0.642SS**SBendtrans-117.719.9-178.751.50000114.4E56E56-T59 PolarHBondContact O-OG1 3.03Å
60I48.4Very low56.3Low144 Ų144127.6 Ų127.674%0.73866%0.656SS**  trans-115.978.3177.5-48.3177.7000110.1
61E51.9Low54.6Low185 Ų185130 Ų13086%0.86467%0.669SS**  trans-122.6141.9146.6-72.1-170.7165.900107.6
62D44Very low52.9Low141 Ų141133.3 Ų133.375%0.75469%0.694SS**SBendtrans76.9109.3177.7-71.1-7.3000120.9
63K44Very low51.4Low181 Ų181136.8 Ų136.879%0.78772%0.72SS**  trans94.887.1143.2-64.1167.4-169.2170.70118.9
64E53.6Low50.1Low190 Ų190137.8 Ų137.889%0.88873%0.728SS**  trans-36.5124.7136.724.5-179.1149.400113
65D38.9Very low49Very low161 Ų161140.5 Ų140.586%0.86174%0.74SS**  trans-155124.8151.3-101.2-38.9000108.1H67D65-H67 PolarHBondContact O-N 3.37Å
66E55.1Low48.2Very low184 Ų184140.5 Ų140.586%0.8676%0.758SS**  trans-67.3127.3175.4-87.9-177.184.400111.1
67H42.8Very low48Very low190 Ų190145 Ų14588%0.8877%0.77SS**  trans-146.6111.8142.5-93.2-53.8000112.3D65 S69D65-H67 PolarHBondContact O-N 3.37Å; H67-S69 PolarHBondContact O-N 2.92Å
68D48.9Very low47.6Very low132 Ų132151.3 Ų151.371%0.70678%0.782SS**  trans-58.2130169-178.616.9000110.9
69S45.8Very low48.1Very low101 Ų101155 Ų15571%0.70679%0.793SS**  trans-157.980170.2-81.90000109.6H67 L71H67-S69 PolarHBondContact O-N 2.92Å; S69-L71 PolarHBondContact O-N 2.86Å
70L46.3Very low48.7Very low148 Ų148160.6 Ų160.678%0.77580%0.803SS**  trans-34.496.1171.2-64.6170.4000113.7S72L70-S72 PolarHBondContact O-N 2.91Å
71L47.1Very low49Very low166 Ų166159.3 Ų159.387%0.86981%0.807SS**  trans-6698172.5-73.7175.9000109.7S69 P73S69-L71 PolarHBondContact O-N 2.86Å; L71-P73 WeakPolarHBondContact O-CD 3.46Å; L71-P73 VanDerWaalsContact O-N 3.15Å
72S44.6Very low49.4Very low102 Ų102156.4 Ų156.471%0.71380%0.797SS**  trans-62.3108.4175.1-68.30000110.5L70 I74L70-S72 PolarHBondContact O-N 2.91Å; S72-I74 PolarHBondContact O-N 3.32Å
73P47.7Very low50.4Low125 Ų125156.2 Ų156.281%0.81280%0.8SS**  trans-86.249.3-172.630.2-21.9000111.4L71 H75L71-P73 WeakPolarHBondContact O-CD 3.46Å; L71-P73 VanDerWaalsContact O-N 3.15Å; P73-H75 PolarHBondContact O-N 3.39Å
74I51Low51.9Low145 Ų145156.9 Ų156.974%0.74481%0.806SS**  trans-102.768.6175.5-49.7-175000109.3S72S72-I74 PolarHBondContact O-N 3.32Å
75H48.5Very low53.2Low187 Ų187151 Ų15187%0.86679%0.79SS**  trans-147.349.3148.8-98.787.1000108.9P73 R77P73-H75 PolarHBondContact O-N 3.39Å; H75-R77 PolarHBondContact O-N 3.04Å
76G45.7Very low55.4Low68 Ų68151 Ų15170%0.70179%0.786SS**  trans-62.881.4171.600000111.3Y78G76-Y78 PolarHBondContact O-N 3.47Å
77R58.2Low57Low227 Ų227147.9 Ų147.986%0.85777%0.771SS**  trans-55.4111.9153.9-66-175.6-172.3178.44.9104.9H75 I79H75-R77 PolarHBondContact O-N 3.04Å; R77-I79 PolarHBondContact O-N 3.5Å
78Y46.1Very low59.3Low220 Ų220142.8 Ų142.886%0.86376%0.761SS**  trans-49.5103.9178.3-112.7-102.2000108.6G76 R80G76-Y78 PolarHBondContact O-N 3.47Å; Y78-R80 PolarHBondContact O-N 3.33Å
79I57.7Low61.3Low156 Ų156144.8 Ų144.880%0.877%0.766SS**  trans-66.593.7162.6-59.8176.3000102.9R77 S81R77-I79 PolarHBondContact O-N 3.5Å; I79-S81 PolarHBondContact O-N 3.16Å
80R56.5Low63.6Low219 Ų219144.4 Ų144.483%0.82675%0.752SS**  trans-54.6111.9168.9-75.3-176.9172179.3-2.8104.8Y78 L82Y78-R80 PolarHBondContact O-N 3.33Å; R80-L82 WeakPolarHBondContact O-CA 3.46Å; R80-L82 PolarHBondContact O-N 3.24Å
81S55.3Low65.9Low117 Ų117139.6 Ų139.682%0.81873%0.734SS**  trans-48.5106.7-179.9-177.20000107.4I79 V83I79-S81 PolarHBondContact O-N 3.16Å; S81-V83 PolarHBondContact O-N 3.22Å; S81-V83 VanDerWaalsContact O-N 3.07Å
82L60.6Low68.2Low125 Ų125137.1 Ų137.165%0.65472%0.718SS**  trans-84.2100.2-165-163.3168.4000104.9R80 E84 A85R80-L82 WeakPolarHBondContact O-CA 3.46Å; R80-L82 PolarHBondContact O-N 3.24Å; L82-E84 PolarHBondContact O-N 3.43Å; L82-A85 HydrophobicContact CD2-CB 3.36Å
83V64.2Low70.7Confident136 Ų136133.6 Ų133.682%0.82469%0.693SS**THydrogen-bonded Turntrans-34.9107176.8175.50000109.1S81 A85S81-V83 PolarHBondContact O-N 3.22Å; S81-V83 VanDerWaalsContact O-N 3.07Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3.47Å
84E76.4Confident73.1Confident195 Ų195132.4 Ų132.491%0.91168%0.675SS**THydrogen-bonded Turntrans-6.977.9-173-161.5166.2173.600114.6L82 Q86L82-E84 PolarHBondContact O-N 3.43Å; E84-Q86 PolarHBondContact O-N 2.77Å
85A80.1Confident75.4Confident67 Ų67127.6 Ų127.655%0.55465%0.653SS**PPolyproline II helixtrans-73.6123.7178.300000109.7L82 V83 Q87L82-A85 HydrophobicContact CD2-CB 3.36Å; V83-A85 VanDerWaalsContact C-N 3.32Å; V83-A85 PolarHBondContact O-N 3.47Å; A85-Q87 PolarHBondContact O-N 2.95Å
86Q85.6Confident77.7Confident162 Ų162122.5 Ų122.576%0.75763%0.626SS**PPolyproline II helixtrans-56.3127.8165.6-167.2-163.3-5700109.4E84 A88E84-Q86 PolarHBondContact O-N 2.77Å; Q86-A88 PolarHBondContact O-N 3.48Å
87Q88.3Confident80.3Confident117 Ų117123 Ų12355%0.54762%0.615SS.*PPolyproline II helixtrans-56.5134.8174.8-176.155.549.500110.6V45 A85 Q89V45-Q87 HydrophobicContact CB-CG 4.33Å; V45-Q87 HydrophobicContact CG2-CG 3.62Å; A85-Q87 PolarHBondContact O-N 2.95Å; Q87-Q89 PolarHBondContact O-N 3.49Å
88A90.3Very high82.2Confident83 Ų83117 Ų11769%0.68660%0.597SS**PPolyproline II helixtrans-66.2120.2179.700000110.4Q86Q86-A88 PolarHBondContact O-N 3.48Å
89Q92.2Very high84.6Confident174 Ų174111 Ų11181%0.81358%0.583SS**PPolyproline II helixtrans-85.5139.6175.5-70.8-176.5-24.400111Q87Q87-Q89 PolarHBondContact O-N 3.49Å
90K92.5Very high86.6Confident93 Ų93105.1 Ų105.140%0.40455%0.553SS.*PPolyproline II helixtrans-73135.2-179.5-167.6-170-176.2-152.50111.3E92 C129 C130 N131K90-E92 PolarHBondContact O-N 2.82Å; K90-C129 WeakPolarHBondContact CE-O 3.33Å; K90-C129 PolarHBondContact NZ-O 2.94Å; K90-C130 WeakPolarHBondContact CE-O 3.35Å; K90-C130 PolarHBondContact NZ-O 3.38Å; K90-N131 PolarHBondContact NZ-OD1 3.2Å
91A95.8Very high88.5Confident48 Ų48101.2 Ų101.240%0.39754%0.544SS..  trans-72.2100.2171.300000110.9G128 C129A91-G128 CarbonylContact O-C 3.56Å; A91-G128 WeakPolarHBondContact O-CA 3.36Å; A91-C129 PolarHBondContact O-N 3.26Å
92E95.4Very high90.6Very high113 Ų11395.9 Ų95.953%0.52851%0.506SS..  trans-58150.2176.7-60.7165.9156.100113.2K90 K94 R96 S127K90-E92 PolarHBondContact O-N 2.82Å; E92-K94 PolarHBondContact O-N 3.33Å; E92-K94 VanDerWaalsContact O-N 3.12Å; E92-K94 WeakPolarHBondContact OE2-CE 3.37Å; E92-K94 IonicContact OE2-NZ 2.71Å; E92-K94 PolarHBondContact OE2-NZ 3.05Å; E92-R96 PolarHBondContact O-NH1 3.42Å; E92-R96 PolarHBondContact O-NH2 2.87Å; E92-S127 VanDerWaalsContact O-O 3.14Å
93C97.1Very high92.3Very high29 Ų2992.4 Ų92.420%0.19649%0.49CS..SBendtrans-69.4100.4169.7175.20000110.6S127 C137 L176C93-S127 WeakPolarHBondContact CA-O 3.47Å; C93-C137 WeakPolarHBondContact CA-SG 3.34Å; C93-C137 HydrophobicContact CB-CB 3.77Å; C93-C137 WeakPolarHBondContact CB-SG 3.31Å; C93-C137 WeakPolarHBondContact SG-CA 2.99Å; C93-C137 WeakPolarHBondContact SG-CB 3.05Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.63Å; C93-L176 HydrophobicContact CB-CD2 3.7Å
94K97.7Very high93.8Very high99 Ų9991.5 Ų91.543%0.4347%0.472SS..EExtended strand (participates in β ladder)trans-152.9168.6177.163.6-172.9175.1-160.30112.5E92 S127 C174E92-K94 PolarHBondContact O-N 3.33Å; E92-K94 VanDerWaalsContact O-N 3.12Å; E92-K94 WeakPolarHBondContact OE2-CE 3.37Å; E92-K94 IonicContact OE2-NZ 2.71Å; E92-K94 PolarHBondContact OE2-NZ 3.05Å; K94-S127 PolarHBondContact N-O 2.9Å; K94-S127 PolarHBondContact O-N 2.63Å; K94-S127 PolarHBondContact O-OG 2.69Å; K94-C174 VanDerWaalsContact C-SG 3.53Å
95V98.6Very high94.7Very high45 Ų4585.4 Ų85.427%0.27345%0.451SS..EExtended strand (participates in β ladder)trans-65.6131.9173-178.20000108.9Q124 R125 H171 C174V95-Q124 HydrophobicContact CG1-CB 3.66Å; V95-Q124 HydrophobicContact CG1-CG 4.26Å; V95-R125 WeakPolarHBondContact CA-O 3.46Å; V95-H171 WeakPolarHBondContact CG1-O 3.44Å; V95-C174 WeakPolarHBondContact CG2-SG 3.34Å; V95-C174 PolarHBondContact N-SG 3.28Å; V95-C174 VanDerWaalsContact N-SG 3.4Å
96R98.4Very high95.4Very high79 Ų7985.2 Ų85.230%0.29844%0.439SS..EExtended strand (participates in β ladder)trans-137.7155.2170.2-61.9-175.1-178.272.8-0.3109.5E92 Q124 R125 S127E92-R96 PolarHBondContact O-NH1 3.42Å; E92-R96 PolarHBondContact O-NH2 2.87Å; R96-Q124 VanDerWaalsContact C-OE1 3.32Å; R96-Q124 PolarHBondContact O-OE1 2.79Å; R96-R125 PolarHBondContact N-O 3.42Å; R96-R125 PolarHBondContact O-N 3.13Å; R96-S127 WeakPolarHBondContact CB-OG 3.46Å; R96-S127 VanDerWaalsContact CD-OG 3.31Å; R96-S127 WeakPolarHBondContact CD-OG 3.44Å; R96-S127 WeakPolarHBondContact CG-OG 3.27Å; R96-S127 PolarHBondContact NH1-O 2.91Å; R96-S127 PolarHBondContact NH1-OG 3.48Å
97T98.5Very high96Very high78 Ų7878.2 Ų78.248%0.47941%0.407SS..EExtended strand (participates in β ladder)trans-72.7129.1172.8-49.20000110.5E122 V123 Q124T97-E122 HydrophobicContact CG2-CB 3.7Å; T97-E122 HydrophobicContact CG2-CG 3.83Å; T97-V123 CarbonylContact C-O 3.57Å; T97-V123 WeakPolarHBondContact CA-O 3.45Å; T97-Q124 PolarHBondContact OG1-NE2 3.44Å
98E98Very high96.3Very high101 Ų10173.9 Ų73.947%0.47239%0.388SS..EExtended strand (participates in β ladder)trans-124.1152.4175.4-170.7-174.5156.200109E122 V123 R125E98-E122 WeakPolarHBondContact O-CA 3.35Å; E98-V123 HydrophobicContact CB-CG2 4.17Å; E98-V123 PolarHBondContact N-O 2.92Å; E98-V123 WeakPolarHBondContact O-CG2 3.31Å; E98-V123 PolarHBondContact O-N 3.28Å; E98-R125 HydrophobicContact CB-CB 4.36Å; E98-R125 HydrophobicContact CB-CG 4.25Å; E98-R125 WeakPolarHBondContact OE2-CB 3.39Å; E98-R125 WeakPolarHBondContact OE2-CG 3.43Å
99V98.4Very high96.6Very high95 Ų9580.7 Ų80.758%0.57640%0.396SS*.EExtended strand (participates in β ladder)trans-94.7115.6175.7178.70000109.5C120V99-C120 HydrophobicContact CG1-CB 3.64Å
100M97.8Very high96.7Very high33 Ų3377.8 Ų77.816%0.16340%0.395CS..EExtended strand (participates in β ladder)trans-99.4128.6176.8-173.4-17970.900111.1M106 C120 V121 V123 R125 V168M100-M106 HydrophobicContact CE-CE 3.9Å; M100-C120 CarbonylContact O-C 3.51Å; M100-C120 WeakPolarHBondContact O-CA 3.44Å; M100-C120 WeakPolarHBondContact O-CB 3.39Å; M100-V121 HydrophobicContact CE-CG2 4.04Å; M100-V121 PolarHBondContact N-O 3.43Å; M100-V121 PolarHBondContact O-N 2.88Å; M100-V123 HydrophobicContact CB-CB 4.48Å; M100-V123 HydrophobicContact CB-CG1 3.75Å; M100-V123 HydrophobicContact CB-CG2 3.8Å; M100-V123 HydrophobicContact CE-CG1 3.9Å; M100-V123 HydrophobicContact SD-CG1 4.14Å; M100-R125 PolarHBondContact SD-NH2 3.21Å; M100-V168 HydrophobicContact CE-CB 4.31Å; M100-V168 HydrophobicContact CE-CG1 3.72Å; M100-V168 HydrophobicContact CE-CG2 3.76Å
101E98Very high96.6Very high137 Ų13776.3 Ų76.364%0.6439%0.391SS*.EExtended strand (participates in β ladder)trans-68.4131.7169.5-170.4-171.5152.600110.8T103E101-T103 PolarHBondContact O-N 2.9Å; E101-T103 VanDerWaalsContact O-N 3.13Å
102I98Very high96.4Very high5 Ų576.7 Ų76.73%0.02639%0.394CS..  trans-81.592.5171.2-60.8162.2000108.1V107 V116 P118 Q119 V121 V149 I166I102-V107 HydrophobicContact CG2-CG2 3.89Å; I102-V116 HydrophobicContact CB-CG1 4.33Å; I102-V116 HydrophobicContact CG2-CG1 3.79Å; I102-P118 HydrophobicContact CD1-CG 4.1Å; I102-P118 VanDerWaalsContact CD1-O 3.24Å; I102-P118 WeakPolarHBondContact CD1-O 3.01Å; I102-Q119 PolarHBondContact N-O 3.39Å; I102-V121 HydrophobicContact CD1-CG1 3.62Å; I102-V121 HydrophobicContact CD1-CG2 4.24Å; I102-V121 HydrophobicContact CG1-CG1 4.33Å; I102-V121 HydrophobicContact CG1-CG2 4.02Å; I102-V149 HydrophobicContact CD1-CG1 3.77Å; I102-I166 HydrophobicContact CB-CD1 4.32Å; I102-I166 HydrophobicContact CD1-CD1 4.08Å; I102-I166 HydrophobicContact CG1-CD1 3.86Å; I102-I166 HydrophobicContact CG2-CD1 3.49Å; I102-I166 VanDerWaalsContact CG2-CD1 3.49Å
103T96.5Very high96.2Very high51 Ų5177.5 Ų77.531%0.31340%0.402SS..  trans-63.1142.9178.872.40000110.9E101 S105 M106E101-T103 PolarHBondContact O-N 2.9Å; E101-T103 VanDerWaalsContact O-N 3.13Å; T103-S105 PolarHBondContact O-N 3.39Å; T103-S105 VanDerWaalsContact O-N 3.14Å; T103-S105 PolarHBondContact OG1-OG 3.37Å; T103-M106 HydrophobicContact CG2-SD 4.41Å; T103-M106 WeakPolarHBondContact O-CB 3.33Å; T103-M106 PolarHBondContact O-N 3.02Å; T103-M106 VanDerWaalsContact OG1-CG 3.29Å; T103-M106 WeakPolarHBondContact OG1-CG 3.39Å; T103-M106 PolarHBondContact OG1-SD 3.41Å; T103-M106 VanDerWaalsContact OG1-SD 3.37Å
104R95.8Very high96.2Very high118 Ų11876.4 Ų76.445%0.44539%0.394SS..Hα-helixtrans-58-31.6179.6-72.916243.4165.1-8.5112.9M106 V107 D108 A112 F114 V116R104-M106 PolarHBondContact O-N 3.48Å; R104-V107 PolarHBondContact O-N 2.9Å; R104-V107 VanDerWaalsContact O-N 3.09Å; R104-D108 PolarHBondContact O-N 3.35Å; R104-D108 VanDerWaalsContact O-O 3.12Å; R104-A112 VanDerWaalsContact NH2-C 3.3Å; R104-A112 PolarHBondContact NH2-O 3.31Å; R104-F114 HydrophobicContact CB-CE2 4.01Å; R104-F114 HydrophobicContact CB-CZ 3.91Å; R104-F114 HydrophobicContact CG-CE2 3.95Å; R104-F114 HydrophobicContact CG-CZ 4.32Å; R104-V116 HydrophobicContact CG-CG2 3.99Å
105S95.6Very high96.1Very high67 Ų6776.1 Ų76.147%0.46940%0.397SS..Hα-helixtrans-65.7-16.2173.237.20000115.6T103 R109T103-S105 PolarHBondContact O-N 3.39Å; T103-S105 VanDerWaalsContact O-N 3.14Å; T103-S105 PolarHBondContact OG1-OG 3.37Å; S105-R109 WeakPolarHBondContact O-CG 3.33Å; S105-R109 PolarHBondContact O-NE 3.11Å
106M95.4Very high96Very high63 Ų6374.4 Ų74.431%0.3139%0.387SS..Hα-helixtrans-80.2-30.5169.9-66.5159.670.800111.6M100 T103 R104 I166M100-M106 HydrophobicContact CE-CE 3.9Å; T103-M106 HydrophobicContact CG2-SD 4.41Å; T103-M106 WeakPolarHBondContact O-CB 3.33Å; T103-M106 PolarHBondContact O-N 3.02Å; T103-M106 VanDerWaalsContact OG1-CG 3.29Å; T103-M106 WeakPolarHBondContact OG1-CG 3.39Å; T103-M106 PolarHBondContact OG1-SD 3.41Å; T103-M106 VanDerWaalsContact OG1-SD 3.37Å; R104-M106 PolarHBondContact O-N 3.48Å; M106-I166 HydrophobicContact CB-CG2 4.3Å; M106-I166 HydrophobicContact CE-CD1 4.3Å
107V96.8Very high96Very high14 Ų1478.5 Ų78.59%0.08540%0.402CS..Hα-helixtrans-87.5-49.9-177.5179.60000111.7I102 R104 F114 V116 V149 K151 V164 I166I102-V107 HydrophobicContact CG2-CG2 3.89Å; R104-V107 PolarHBondContact O-N 2.9Å; R104-V107 VanDerWaalsContact O-N 3.09Å; V107-F114 HydrophobicContact CB-CE2 4.11Å; V107-F114 HydrophobicContact CB-CZ 4.43Å; V107-F114 HydrophobicContact CG1-CE2 4.04Å; V107-V116 HydrophobicContact CB-CG2 4.31Å; V107-V116 HydrophobicContact CG2-CG1 3.83Å; V107-V116 HydrophobicContact CG2-CG2 3.85Å; V107-V149 HydrophobicContact CG2-CG2 3.92Å; V107-K151 HydrophobicContact CG1-CB 3.94Å; V107-K151 HydrophobicContact CG1-CD 4.07Å; V107-K151 HydrophobicContact CG1-CG 4.19Å; V107-V164 HydrophobicContact CG1-CB 4.04Å; V107-V164 HydrophobicContact CG1-CG1 4.06Å; V107-V164 HydrophobicContact CG1-CG2 3.96Å; V107-I166 HydrophobicContact CG2-CG2 4.06Å
108D95.9Very high96Very high27 Ų2777.1 Ų77.114%0.14439%0.394CS..  trans-155.8116.4178.8-179.7-11.3000109.3R104 S110 N111 F114 K151R104-D108 PolarHBondContact O-N 3.35Å; R104-D108 VanDerWaalsContact O-O 3.12Å; D108-S110 WeakPolarHBondContact OD1-CA 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 2.96Å; D108-S110 PolarHBondContact OD1-OG 3.49Å; D108-N111 PolarHBondContact OD1-N 2.98Å; D108-N111 VanDerWaalsContact OD1-N 3.16Å; D108-N111 VanDerWaalsContact OD2-CB 3.31Å; D108-N111 WeakPolarHBondContact OD2-CB 3.46Å; D108-F114 HydrophobicContact CB-CE1 3.69Å; D108-F114 HydrophobicContact CB-CZ 3.73Å; D108-K151 WeakPolarHBondContact OD2-CE 3.17Å; D108-K151 IonicContact OD2-NZ 3.31Å; D108-K151 PolarHBondContact OD2-NZ 2.92Å
109R95.6Very high96Very high226 Ų22678.9 Ų78.985%0.85340%0.403SS*.SBendtrans-82.3-17.6179.4-63.6-178.9-177.2-179.72.2113.4S105S105-R109 WeakPolarHBondContact O-CG 3.33Å; S105-R109 PolarHBondContact O-NE 3.11Å
110S94.5Very high95.9Very high113 Ų11377.5 Ų77.579%0.7940%0.396SS*.SBendtrans-87.9-29.7-173.674.20000112.7D108D108-S110 WeakPolarHBondContact OD1-CA 3.31Å; D108-S110 WeakPolarHBondContact OD1-CB 3.47Å; D108-S110 PolarHBondContact OD1-N 2.96Å; D108-S110 PolarHBondContact OD1-OG 3.49Å
111N89.9Confident96Very high62 Ų6277.1 Ų77.133%0.33240%0.396SS..  trans-114.5157.7-171.7-155.2-35.4000111.9D108 N113 F114D108-N111 PolarHBondContact OD1-N 2.98Å; D108-N111 VanDerWaalsContact OD1-N 3.16Å; D108-N111 VanDerWaalsContact OD2-CB 3.31Å; D108-N111 WeakPolarHBondContact OD2-CB 3.46Å; N111-N113 PolarHBondContact OD1-N 3.27Å; N111-F114 HydrophobicContact CB-CD1 4.12Å; N111-F114 HydrophobicContact CB-CE1 4.05Å; N111-F114 VanDerWaalsContact O-CE1 3.3Å; N111-F114 WeakPolarHBondContact O-CE1 3.05Å
112A91.7Very high96Very high56 Ų5676.9 Ų76.946%0.46340%0.395SS..  trans-132.33.1177.200000113.7R104R104-A112 VanDerWaalsContact NH2-C 3.3Å; R104-A112 PolarHBondContact NH2-O 3.31Å
113N92.4Very high96Very high129 Ų12976.6 Ų76.669%0.6939%0.393SS*.SBendtrans-106.748.8-172.9-60.5-31.9000111.5N111N111-N113 PolarHBondContact OD1-N 3.27Å
114F96.1Very high96.1Very high6 Ų677.1 Ų77.13%0.02639%0.392CS..EExtended strand (participates in β ladder)trans-145.9160.1177.565.2-92.7000111.8R104 V107 D108 N111 V116 K151 I152 V153R104-F114 HydrophobicContact CB-CE2 4.01Å; R104-F114 HydrophobicContact CB-CZ 3.91Å; R104-F114 HydrophobicContact CG-CE2 3.95Å; R104-F114 HydrophobicContact CG-CZ 4.32Å; V107-F114 HydrophobicContact CB-CE2 4.11Å; V107-F114 HydrophobicContact CB-CZ 4.43Å; V107-F114 HydrophobicContact CG1-CE2 4.04Å; D108-F114 HydrophobicContact CB-CE1 3.69Å; D108-F114 HydrophobicContact CB-CZ 3.73Å; N111-F114 HydrophobicContact CB-CD1 4.12Å; N111-F114 HydrophobicContact CB-CE1 4.05Å; N111-F114 VanDerWaalsContact O-CE1 3.3Å; N111-F114 WeakPolarHBondContact O-CE1 3.05Å; F114-V116 HydrophobicContact CD2-CG2 3.94Å; F114-V116 HydrophobicContact CE2-CG2 3.62Å; F114-K151 HydrophobicContact CB-CG 4.01Å; F114-K151 HydrophobicContact CD2-CG 3.86Å; F114-K151 HydrophobicContact CE2-CG 4.48Å; F114-K151 HydrophobicContact CG-CG 3.92Å; F114-I152 CarbonylContact C-O 3.53Å; F114-I152 WeakPolarHBondContact CA-O 3.23Å; F114-I152 WeakPolarHBondContact CB-O 3.37Å; F114-V153 HydrophobicContact CB-CG2 4.08Å
115L95.8Very high96.2Very high93 Ų9374.4 Ų74.449%0.48738%0.382SS..EExtended strand (participates in β ladder)trans-106.5159.1166.4-51.5178.6000109.6I152 Y154L115-I152 HydrophobicContact CB-CB 4.22Å; L115-I152 PolarHBondContact N-O 2.87Å; L115-I152 PolarHBondContact O-N 2.94Å; L115-Y154 HydrophobicContact CD1-CE2 3.98Å; L115-Y154 HydrophobicContact CG-CE2 4.48Å
116V97.5Very high96.4Very high10 Ų1072.3 Ų72.36%0.06137%0.367CS..EExtended strand (participates in β ladder)trans-116.1139.4177-1740000109I102 R104 V107 F114 Q119 V149I102-V116 HydrophobicContact CB-CG1 4.33Å; I102-V116 HydrophobicContact CG2-CG1 3.79Å; R104-V116 HydrophobicContact CG-CG2 3.99Å; V107-V116 HydrophobicContact CB-CG2 4.31Å; V107-V116 HydrophobicContact CG2-CG1 3.83Å; V107-V116 HydrophobicContact CG2-CG2 3.85Å; F114-V116 HydrophobicContact CD2-CG2 3.94Å; F114-V116 HydrophobicContact CE2-CG2 3.62Å; V116-Q119 WeakPolarHBondContact O-CG 3.47Å; V116-V149 HydrophobicContact CG1-CB 4.44Å; V116-V149 HydrophobicContact CG1-CG2 4.39Å
117W97.6Very high96.5Very high165 Ų16571.2 Ų71.263%0.62537%0.366SS*.EExtended strand (participates in β ladder)trans-135.5128.9175.2-178.6-94.8000111.3T150 I152W117-T150 PolarHBondContact N-O 2.8Å; W117-T150 PolarHBondContact O-N 3.25Å; W117-I152 HydrophobicContact CB-CD1 3.84Å
118P98.3Very high96.4Very high48 Ų4872.1 Ų72.131%0.31238%0.378SS..SBendcis-64.3164.7-1130.4-36.3000112I102 V121I102-P118 HydrophobicContact CD1-CG 4.1Å; I102-P118 VanDerWaalsContact CD1-O 3.24Å; I102-P118 WeakPolarHBondContact CD1-O 3.01Å; P118-V121 HydrophobicContact CG-CG1 4.04Å
119Q97.6Very high96.3Very high139 Ų13974.3 Ų74.365%0.6539%0.394SS*.SBendtrans-83.5-20.7177.2-67-174.933.700113.2I102 V116I102-Q119 PolarHBondContact N-O 3.39Å; V116-Q119 WeakPolarHBondContact O-CG 3.47Å
120C97.9Very high96.2Very high65 Ų6564.6 Ų64.644%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-146.5156.6-179.959.20000110.8V99 M100V99-C120 HydrophobicContact CG1-CB 3.64Å; M100-C120 CarbonylContact O-C 3.51Å; M100-C120 WeakPolarHBondContact O-CA 3.44Å; M100-C120 WeakPolarHBondContact O-CB 3.39Å
121V98.4Very high95.7Very high26 Ų2661.3 Ų61.316%0.15833%0.334CS..EExtended strand (participates in β ladder)trans-140.3153.4-179-73.10000110.8M100 I102 P118 V123 L147M100-V121 HydrophobicContact CE-CG2 4.04Å; M100-V121 PolarHBondContact N-O 3.43Å; M100-V121 PolarHBondContact O-N 2.88Å; I102-V121 HydrophobicContact CD1-CG1 3.62Å; I102-V121 HydrophobicContact CD1-CG2 4.24Å; I102-V121 HydrophobicContact CG1-CG1 4.33Å; I102-V121 HydrophobicContact CG1-CG2 4.02Å; P118-V121 HydrophobicContact CG-CG1 4.04Å; V121-V123 HydrophobicContact CG2-CG1 4.4Å; V121-L147 HydrophobicContact CB-CD1 4Å; V121-L147 HydrophobicContact CG1-CD1 3.88Å; V121-L147 HydrophobicContact CG2-CD1 3.84Å
122E98.3Very high95.5Very high131 Ų13158.7 Ų58.761%0.61232%0.321SS*.EExtended strand (participates in β ladder)trans-75133.5171.7-70.4-179.6-178.800111.3T97 E98 R145T97-E122 HydrophobicContact CG2-CB 3.7Å; T97-E122 HydrophobicContact CG2-CG 3.83Å; E98-E122 WeakPolarHBondContact O-CA 3.35Å; E122-R145 PolarHBondContact O-NH2 2.65Å
123V98.6Very high95.1Very high0 Ų061.9 Ų61.90%032%0.321CS..EExtended strand (participates in β ladder)trans-132.1152176.7-59.80000110.4T97 E98 M100 V121 R125 V168 D170T97-V123 CarbonylContact C-O 3.57Å; T97-V123 WeakPolarHBondContact CA-O 3.45Å; E98-V123 HydrophobicContact CB-CG2 4.17Å; E98-V123 PolarHBondContact N-O 2.92Å; E98-V123 WeakPolarHBondContact O-CG2 3.31Å; E98-V123 PolarHBondContact O-N 3.28Å; M100-V123 HydrophobicContact CB-CB 4.48Å; M100-V123 HydrophobicContact CB-CG1 3.75Å; M100-V123 HydrophobicContact CB-CG2 3.8Å; M100-V123 HydrophobicContact CE-CG1 3.9Å; M100-V123 HydrophobicContact SD-CG1 4.14Å; V121-V123 HydrophobicContact CG2-CG1 4.4Å; V123-R125 HydrophobicContact CG2-CG 3.89Å; V123-V168 HydrophobicContact CB-CG1 4.44Å; V123-V168 HydrophobicContact CG1-CG1 3.36Å; V123-D170 VanDerWaalsContact CA-OD1 3.23Å; V123-D170 WeakPolarHBondContact CA-OD1 3.38Å
124Q98.7Very high94.8Very high62 Ų6260.6 Ų60.629%0.2931%0.311SS..EExtended strand (participates in β ladder)trans-92.2126.5175-62.9-55-32.700110V95 R96 T97 D170 H171V95-Q124 HydrophobicContact CG1-CB 3.66Å; V95-Q124 HydrophobicContact CG1-CG 4.26Å; R96-Q124 VanDerWaalsContact C-OE1 3.32Å; R96-Q124 PolarHBondContact O-OE1 2.79Å; T97-Q124 PolarHBondContact OG1-NE2 3.44Å; Q124-D170 HydrophobicContact CB-CB 3.99Å; Q124-D170 PolarHBondContact N-OD1 2.71Å; Q124-D170 CarbonylContact O-C 3.54Å; Q124-D170 WeakPolarHBondContact O-CA 3.43Å; Q124-H171 PolarHBondContact O-N 2.95Å
125R98.5Very high94.7Very high61 Ų6162.7 Ų62.723%0.2332%0.322CS..EExtended strand (participates in β ladder)trans-138146.3-177.7-65.9-66176.775.5-0.4112.2V95 R96 E98 M100 V123 S127 V169V95-R125 WeakPolarHBondContact CA-O 3.46Å; R96-R125 PolarHBondContact N-O 3.42Å; R96-R125 PolarHBondContact O-N 3.13Å; E98-R125 HydrophobicContact CB-CB 4.36Å; E98-R125 HydrophobicContact CB-CG 4.25Å; E98-R125 WeakPolarHBondContact OE2-CB 3.39Å; E98-R125 WeakPolarHBondContact OE2-CG 3.43Å; M100-R125 PolarHBondContact SD-NH2 3.21Å; V123-R125 HydrophobicContact CG2-CG 3.89Å; R125-S127 PolarHBondContact O-N 3.02Å; R125-V169 PolarHBondContact NE-O 3.46Å
126C98.4Very high94.6Very high23 Ų2363.3 Ų63.316%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-74.5124.6173.8-68.80000109.5P139 H171 C174C126-P139 VanDerWaalsContact SG-CA 3.57Å; C126-H171 WeakPolarHBondContact CB-ND1 3.49Å; C126-H171 PolarHBondContact N-ND1 2.79Å; C126-H171 PolarHBondContact SG-ND1 3Å; C126-H171 VanDerWaalsContact SG-ND1 3.37Å; C126-C174 WeakPolarHBondContact CA-SG 3.39Å; C126-C174 HydrophobicContact CB-CB 3.89Å; C126-C174 WeakPolarHBondContact CB-SG 3.5Å; C126-C174 VanDerWaalsContact SG-CA 3.56Å; C126-C174 WeakPolarHBondContact SG-CB 3.49Å; C126-C174 CovalentContact SG-SG 2.03Å; C126-C174 PolarHBondContact SG-SG 2.03Å
127S97.2Very high94.6Very high40 Ų4063.9 Ų63.928%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-145.3165.7-17655.50000110.3E92 C93 K94 R96 R125E92-S127 VanDerWaalsContact O-O 3.14Å; C93-S127 WeakPolarHBondContact CA-O 3.47Å; K94-S127 PolarHBondContact N-O 2.9Å; K94-S127 PolarHBondContact O-N 2.63Å; K94-S127 PolarHBondContact O-OG 2.69Å; R96-S127 WeakPolarHBondContact CB-OG 3.46Å; R96-S127 VanDerWaalsContact CD-OG 3.31Å; R96-S127 WeakPolarHBondContact CD-OG 3.44Å; R96-S127 WeakPolarHBondContact CG-OG 3.27Å; R96-S127 PolarHBondContact NH1-O 2.91Å; R96-S127 PolarHBondContact NH1-OG 3.48Å; R125-S127 PolarHBondContact O-N 3.02Å
128G95.9Very high94.6Very high33 Ų3357 Ų5734%0.3430%0.303SS..SBendtrans110-174-178.400000112.9A91A91-G128 CarbonylContact O-C 3.56Å; A91-G128 WeakPolarHBondContact O-CA 3.36Å
129C93.4Very high94.5Very high72 Ų7257 Ų5749%0.48630%0.302SS..  trans-119.3132.9-167.3-59.70000111.4K90 A91K90-C129 WeakPolarHBondContact CE-O 3.33Å; K90-C129 PolarHBondContact NZ-O 2.94Å; A91-C129 PolarHBondContact O-N 3.26Å
130C92.9Very high94.5Very high22 Ų2254 Ų5415%0.14929%0.293CS..  trans-71.5164.7170.2-50.10000110.8K90 S132 L135 Q136 C137 L176K90-C130 WeakPolarHBondContact CE-O 3.35Å; K90-C130 PolarHBondContact NZ-O 3.38Å; C130-S132 VanDerWaalsContact CB-O 3.31Å; C130-S132 WeakPolarHBondContact CB-O 3.34Å; C130-L135 HydrophobicContact CB-CB 3.7Å; C130-L135 PolarHBondContact SG-O 3.15Å; C130-Q136 VanDerWaalsContact SG-CA 3.6Å; C130-C137 PolarHBondContact SG-N 3.41Å; C130-L176 HydrophobicContact CB-CD2 3.95Å; C130-L176 VanDerWaalsContact SG-CD2 3.57Å
131N85.5Confident94.5Very high44 Ų4454.3 Ų54.324%0.23529%0.293CS..SBendtrans-70.4-47.7164.4-739.5000108.6W38 S40 I42 K90W38-N131 WeakPolarHBondContact CZ3-O 3.38Å; S40-N131 PolarHBondContact O-ND2 3.22Å; I42-N131 PolarHBondContact N-ND2 3.24Å; I42-N131 PolarHBondContact O-ND2 2.84Å; I42-N131 VanDerWaalsContact O-ND2 3.13Å; I42-N131 PolarHBondContact O-OD1 3.28Å; K90-N131 PolarHBondContact NZ-OD1 3.2Å
132S85Confident94.5Very high8 Ų857.1 Ų57.16%0.05631%0.308CS..SBendtrans-93.1147.2-177.4-166.80000115.5W38 C130 H134 L135W38-S132 VanDerWaalsContact CE3-CA 3.47Å; W38-S132 WeakPolarHBondContact O-CB 3.45Å; C130-S132 VanDerWaalsContact CB-O 3.31Å; C130-S132 WeakPolarHBondContact CB-O 3.34Å; S132-H134 PolarHBondContact O-N 3.3Å; S132-H134 PolarHBondContact OG-N 3.42Å; S132-L135 PolarHBondContact O-N 3.11Å; S132-L135 VanDerWaalsContact O-N 3.15Å
133R84Confident94.5Very high123 Ų12353 Ų5346%0.46430%0.296SS..THydrogen-bonded Turntrans-71.1-21.1169.364.7-173.4-179.4-153.7-11111.7D35 W38 L135 N179D35-R133 IonicContact OD1-NH2 3.86Å; W38-R133 HydrophobicContact CE3-CB 3.85Å; W38-R133 HydrophobicContact CE3-CG 3.83Å; W38-R133 HydrophobicContact CH2-CB 4.24Å; W38-R133 HydrophobicContact CZ3-CB 3.51Å; W38-R133 HydrophobicContact CZ3-CG 3.97Å; R133-L135 VanDerWaalsContact C-N 3.27Å; R133-N179 PolarHBondContact O-ND2 3.07Å
134H85.9Confident94.5Very high101 Ų10157.5 Ų57.547%0.46832%0.324SS..THydrogen-bonded Turntrans-860.6173-56.9-71.9000112.1S132 P178 N179S132-H134 PolarHBondContact O-N 3.3Å; S132-H134 PolarHBondContact OG-N 3.42Å; H134-P178 CarbonylContact O-C 3.53Å; H134-P178 WeakPolarHBondContact O-CA 3.47Å; H134-N179 PolarHBondContact O-N 3.43Å
135L92.6Very high94.4Very high50 Ų5059.4 Ų59.426%0.26233%0.328SS..EExtended strand (participates in β ladder)trans-112.7143.3173.3-67.4170.1000110.2C130 S132 R133 L176 Q177 P178C130-L135 HydrophobicContact CB-CB 3.7Å; C130-L135 PolarHBondContact SG-O 3.15Å; S132-L135 PolarHBondContact O-N 3.11Å; S132-L135 VanDerWaalsContact O-N 3.15Å; R133-L135 VanDerWaalsContact C-N 3.27Å; L135-L176 HydrophobicContact CD1-CD1 4.43Å; L135-Q177 CarbonylContact C-O 3.56Å; L135-Q177 WeakPolarHBondContact CA-O 3.4Å; L135-P178 HydrophobicContact CD2-CG 4.05Å
136Q94.8Very high94.4Very high107 Ų10762 Ų6250%0.535%0.346SS..EExtended strand (participates in β ladder)trans-120.2140.3173.2-169.2176.415.200110.7C130 V138 Q177C130-Q136 VanDerWaalsContact SG-CA 3.6Å; Q136-V138 HydrophobicContact CB-CG1 4.05Å; Q136-V138 HydrophobicContact CG-CG1 3.82Å; Q136-V138 PolarHBondContact O-N 2.83Å; Q136-Q177 PolarHBondContact N-O 2.78Å; Q136-Q177 PolarHBondContact O-N 2.98Å
137C96.8Very high94.4Very high22 Ų2262.2 Ų62.215%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-78.7112.2170.1-175.30000108.9C93 C130C93-C137 WeakPolarHBondContact CA-SG 3.34Å; C93-C137 HydrophobicContact CB-CB 3.77Å; C93-C137 WeakPolarHBondContact CB-SG 3.31Å; C93-C137 WeakPolarHBondContact SG-CA 2.99Å; C93-C137 WeakPolarHBondContact SG-CB 3.05Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.63Å; C130-C137 PolarHBondContact SG-N 3.41Å
138V97.1Very high94.5Very high21 Ų2167.3 Ų67.313%0.12736%0.363CS..EExtended strand (participates in β ladder)trans-129.1150.8-174-60.90000111.5Q136 C174 R175 Q177Q136-V138 HydrophobicContact CB-CG1 4.05Å; Q136-V138 HydrophobicContact CG-CG1 3.82Å; Q136-V138 PolarHBondContact O-N 2.83Å; V138-C174 CarbonylContact O-C 3.54Å; V138-C174 VanDerWaalsContact O-CA 3.31Å; V138-C174 WeakPolarHBondContact O-CA 3.12Å; V138-R175 HydrophobicContact CG2-CG 3.92Å; V138-R175 PolarHBondContact N-O 2.96Å; V138-R175 PolarHBondContact O-N 3.43Å; V138-Q177 HydrophobicContact CG2-CB 3.57Å; V138-Q177 HydrophobicContact CG2-CG 4.48Å
139P97.9Very high94.6Very high46 Ų4665.9 Ų65.930%0.29935%0.348SS..EExtended strand (participates in β ladder)trans-64.3145.4169.426-32.6000112C126 N142 H171 S173C126-P139 VanDerWaalsContact SG-CA 3.57Å; P139-N142 VanDerWaalsContact CB-OD1 3.23Å; P139-N142 WeakPolarHBondContact CB-OD1 3.23Å; P139-H171 HydrophobicContact CB-CB 4.2Å; P139-S173 WeakPolarHBondContact CA-O 3.34Å
140V97Very high94.8Very high76 Ų7663.8 Ų63.846%0.46133%0.333SS..EExtended strand (participates in β ladder)trans-101.1-44.9168.7-173.90000110.1S173 R175V140-S173 PolarHBondContact N-O 3.12Å; V140-R175 HydrophobicContact CG2-CB 3.61Å; V140-R175 HydrophobicContact CG2-CG 3.49Å; V140-R175 VanDerWaalsContact CG2-CG 3.49Å
141V97.9Very high95Very high73 Ų7363.6 Ų63.644%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-126.2132.3-179.7-178.90000108.9V172V141-V172 HydrophobicContact CB-CB 4.14Å; V141-V172 HydrophobicContact CG1-CB 4.05Å; V141-V172 HydrophobicContact CG1-CG2 4.24Å; V141-V172 PolarHBondContact O-N 2.96Å
142N98.4Very high95.6Very high85 Ų8562 Ų6246%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-115.5135.3174.4-71.5-19.7000109.6P139 V169 D170 H171P139-N142 VanDerWaalsContact CB-OD1 3.23Å; P139-N142 WeakPolarHBondContact CB-OD1 3.23Å; N142-V169 HydrophobicContact CB-CG1 3.91Å; N142-D170 CarbonylContact C-O 3.55Å; N142-D170 WeakPolarHBondContact CA-O 3.3Å; N142-H171 PolarHBondContact OD1-CD2 3.04Å; N142-H171 VanDerWaalsContact OD1-CD2 3.27Å
143A98.3Very high96.1Very high45 Ų4562.4 Ų62.437%0.37232%0.323SS..EExtended strand (participates in β ladder)trans-104140.6167.500000109.1V169 D170 V172A143-V169 WeakPolarHBondContact O-CA 3.31Å; A143-D170 PolarHBondContact N-O 2.81Å; A143-D170 PolarHBondContact O-N 3.37Å; A143-V172 HydrophobicContact CB-CG2 3.58Å
144T98.4Very high96.6Very high94 Ų9463 Ų6358%0.57733%0.326SS*.EExtended strand (participates in β ladder)trans-109.7125.6170.2-57.10000108.7P167 V168T144-P167 HydrophobicContact CG2-CB 3.99Å; T144-V168 WeakPolarHBondContact CA-O 3.24Å
145R97.5Very high96.8Very high102 Ų10266 Ų6639%0.38533%0.333SS..EExtended strand (participates in β ladder)trans-119.6151170.561170.8160.3115.717111E122 L147 V168 D170E122-R145 PolarHBondContact O-NH2 2.65Å; R145-L147 HydrophobicContact CG-CD2 4.23Å; R145-V168 PolarHBondContact N-O 3.16Å; R145-V168 PolarHBondContact O-N 3.18Å; R145-D170 IonicContact CZ-OD2 2.67Å; R145-D170 VanDerWaalsContact CZ-OD2 3.28Å; R145-D170 IonicContact NE-OD2 2.92Å; R145-D170 PolarHBondContact NE-OD2 2.98Å; R145-D170 IonicContact NH2-OD1 2.99Å; R145-D170 PolarHBondContact NH2-OD1 3.45Å; R145-D170 IonicContact NH2-OD2 2.81Å; R145-D170 PolarHBondContact NH2-OD2 3.48Å
146N98.4Very high96.6Very high115 Ų11569.8 Ų69.862%0.61536%0.359SS*.EExtended strand (participates in β ladder)trans-96.1126.4180-73.1-28.8000109.8I165 I166N146-I165 HydrophobicContact CB-CG2 3.68Å; N146-I166 WeakPolarHBondContact CA-O 3.46Å
147L98.1Very high96.2Very high27 Ų2774.1 Ų74.114%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-107.8137.8176-51.7-172.3000110.1V121 R145 I165 I166 V168V121-L147 HydrophobicContact CB-CD1 4Å; V121-L147 HydrophobicContact CG1-CD1 3.88Å; V121-L147 HydrophobicContact CG2-CD1 3.84Å; R145-L147 HydrophobicContact CG-CD2 4.23Å; L147-I165 WeakPolarHBondContact O-CA 3.18Å; L147-I166 HydrophobicContact CB-CG1 4.04Å; L147-I166 PolarHBondContact N-O 3.3Å; L147-I166 PolarHBondContact O-N 3.32Å; L147-V168 HydrophobicContact CD1-CB 4.22Å; L147-V168 HydrophobicContact CD1-CG2 3.58Å; L147-V168 HydrophobicContact CG-CB 4.29Å; L147-V168 HydrophobicContact CG-CG2 3.8Å
148K98.3Very high96Very high148 Ų14881.8 Ų81.864%0.64341%0.405SS*.EExtended strand (participates in β ladder)trans-90.3120.1173.2-170.1-177.6177.6-161.70108.9D163K148-D163 HydrophobicContact CD-CB 4.47Å; K148-D163 WeakPolarHBondContact CE-OD2 3.38Å; K148-D163 HydrophobicContact CG-CB 4.29Å; K148-D163 IonicContact NZ-OD2 2.71Å; K148-D163 PolarHBondContact NZ-OD2 3.28Å
149V98.3Very high95.9Very high3 Ų387 Ų872%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-127.2147.1-179-58.50000110.6I102 V107 V116 V164 I166I102-V149 HydrophobicContact CD1-CG1 3.77Å; V107-V149 HydrophobicContact CG2-CG2 3.92Å; V116-V149 HydrophobicContact CG1-CB 4.44Å; V116-V149 HydrophobicContact CG1-CG2 4.39Å; V149-V164 HydrophobicContact CG2-CB 4.43Å; V149-V164 PolarHBondContact N-O 3.13Å; V149-V164 PolarHBondContact O-N 3.35Å; V149-I166 HydrophobicContact CG1-CD1 3.67Å; V149-I166 HydrophobicContact CG1-CG1 4.04Å; V149-I166 HydrophobicContact CG2-CD1 4.12Å; V149-I166 HydrophobicContact CG2-CG1 4.26Å; V149-I166 HydrophobicContact CG2-CG2 3.97Å
150T98.1Very high95.7Very high28 Ų2889.7 Ų89.717%0.17243%0.429CS..EExtended strand (participates in β ladder)trans-95119.6-178-55.50000110.8W117 I152 N161 D163W117-T150 PolarHBondContact N-O 2.8Å; W117-T150 PolarHBondContact O-N 3.25Å; T150-I152 HydrophobicContact CG2-CG1 4.1Å; T150-N161 HydrophobicContact CG2-CB 3.69Å; T150-D163 PolarHBondContact OG1-OD1 2.79Å
151K97.8Very high95.7Very high18 Ų1890.7 Ų90.78%0.07843%0.432CS..EExtended strand (participates in β ladder)trans-85.6121.5168.7177.1-178.6170.8-162.70108.9V107 D108 F114 V153 N161 E162 V164V107-K151 HydrophobicContact CG1-CB 3.94Å; V107-K151 HydrophobicContact CG1-CD 4.07Å; V107-K151 HydrophobicContact CG1-CG 4.19Å; D108-K151 WeakPolarHBondContact OD2-CE 3.17Å; D108-K151 IonicContact OD2-NZ 3.31Å; D108-K151 PolarHBondContact OD2-NZ 2.92Å; F114-K151 HydrophobicContact CB-CG 4.01Å; F114-K151 HydrophobicContact CD2-CG 3.86Å; F114-K151 HydrophobicContact CE2-CG 4.48Å; F114-K151 HydrophobicContact CG-CG 3.92Å; K151-V153 HydrophobicContact CG-CG2 4.36Å; K151-N161 WeakPolarHBondContact O-CA 3.34Å; K151-E162 HydrophobicContact CB-CB 4.31Å; K151-E162 WeakPolarHBondContact CB-O 3.41Å; K151-E162 VanDerWaalsContact CD-OE2 3.28Å; K151-E162 WeakPolarHBondContact CD-OE2 3.41Å; K151-E162 VanDerWaalsContact CE-OE2 3.27Å; K151-E162 WeakPolarHBondContact CE-OE2 3.45Å; K151-E162 PolarHBondContact N-O 3.43Å; K151-E162 IonicContact NZ-OE1 3.28Å; K151-E162 IonicContact NZ-OE2 3.9Å; K151-E162 PolarHBondContact NZ-OE2 3.12Å; K151-E162 PolarHBondContact O-N 3.01Å; K151-V164 HydrophobicContact CB-CG2 3.89Å; K151-V164 HydrophobicContact CD-CG2 4Å
152I96.9Very high95.6Very high11 Ų1191.8 Ų91.86%0.05643%0.432CS..EExtended strand (participates in β ladder)trans-110.5110-173.3-54.5168.3000108.9F114 L115 W117 T150 Y154 R159 F160F114-I152 CarbonylContact C-O 3.53Å; F114-I152 WeakPolarHBondContact CA-O 3.23Å; F114-I152 WeakPolarHBondContact CB-O 3.37Å; L115-I152 HydrophobicContact CB-CB 4.22Å; L115-I152 PolarHBondContact N-O 2.87Å; L115-I152 PolarHBondContact O-N 2.94Å; W117-I152 HydrophobicContact CB-CD1 3.84Å; T150-I152 HydrophobicContact CG2-CG1 4.1Å; I152-Y154 HydrophobicContact CG2-CE2 3.94Å; I152-R159 VanDerWaalsContact CD1-NH2 3.33Å; I152-R159 HydrophobicContact CG2-CG 3.57Å; I152-F160 CarbonylContact C-O 3.59Å; I152-F160 WeakPolarHBondContact CA-O 3.29Å
153V95.9Very high95.6Very high16 Ų1691.9 Ų91.910%0.09743%0.433CS..EExtended strand (participates in β ladder)trans-106.8132.3178.9-1710000109.5F114 K151 R155 F160F114-V153 HydrophobicContact CB-CG2 4.08Å; K151-V153 HydrophobicContact CG-CG2 4.36Å; V153-R155 HydrophobicContact CG1-CG 3.99Å; V153-F160 HydrophobicContact CB-CB 4.48Å; V153-F160 PolarHBondContact N-O 2.87Å; V153-F160 PolarHBondContact O-N 2.96Å
154Y93.9Very high95.6Very high135 Ų13590.9 Ų90.953%0.52942%0.422SS..EExtended strand (participates in β ladder)trans-98117.1170.3-67.9-88000109.8L115 I152 R158 R159L115-Y154 HydrophobicContact CD1-CE2 3.98Å; L115-Y154 HydrophobicContact CG-CE2 4.48Å; I152-Y154 HydrophobicContact CG2-CE2 3.94Å; Y154-R158 WeakPolarHBondContact CA-O 3.43Å; Y154-R159 HydrophobicContact CD1-CB 4.34Å; Y154-R159 HydrophobicContact CE1-CB 3.99Å; Y154-R159 HydrophobicContact CE1-CG 4.26Å
155R91Very high95.6Very high163 Ų16392.1 Ų92.162%0.61542%0.424SS*.EExtended strand (participates in β ladder)trans-124.7131.9170.9-59.9-178.4179.1177.91.6107.9V153 Q157 R158 F160V153-R155 HydrophobicContact CG1-CG 3.99Å; R155-Q157 VanDerWaalsContact C-N 3.25Å; R155-Q157 PolarHBondContact O-N 2.83Å; R155-Q157 VanDerWaalsContact O-N 3.13Å; R155-R158 PolarHBondContact N-O 3.1Å; R155-R158 WeakPolarHBondContact O-CA 3.46Å; R155-R158 PolarHBondContact O-N 2.97Å; R155-R158 VanDerWaalsContact O-O 3.07Å; R155-F160 HydrophobicContact CB-CD2 4.04Å; R155-F160 HydrophobicContact CB-CE2 3.77Å; R155-F160 HydrophobicContact CG-CD2 4.32Å; R155-F160 HydrophobicContact CG-CE2 4.46Å
156T89.2Confident95.6Very high131 Ų13187.2 Ų87.280%0.80441%0.405SS*.THydrogen-bonded Turntrans45.946.2177.949.70000114R158T156-R158 PolarHBondContact O-N 3.29Å
157Q86.1Confident95.6Very high197 Ų19785.5 Ų85.592%0.92140%0.401SS*.THydrogen-bonded Turntrans61.8-0.9-175.2-56.7-177.83.900116.3R155R155-Q157 VanDerWaalsContact C-N 3.25Å; R155-Q157 PolarHBondContact O-N 2.83Å; R155-Q157 VanDerWaalsContact O-N 3.13Å
158R92.8Very high95.6Very high183 Ų18384.3 Ų84.369%0.69139%0.394SS*.EExtended strand (participates in β ladder)trans-90.9142.4171.8-64.7-174.8179.8-171.5-0.6111Y154 R155 T156 F160Y154-R158 WeakPolarHBondContact CA-O 3.43Å; R155-R158 PolarHBondContact N-O 3.1Å; R155-R158 WeakPolarHBondContact O-CA 3.46Å; R155-R158 PolarHBondContact O-N 2.97Å; R155-R158 VanDerWaalsContact O-O 3.07Å; T156-R158 PolarHBondContact O-N 3.29Å; R158-F160 HydrophobicContact CB-CE2 3.77Å; R158-F160 HydrophobicContact CB-CZ 4.24Å; R158-F160 WeakPolarHBondContact O-CD2 3.35Å
159R93.6Very high95.6Very high132 Ų13280 Ų8050%0.49838%0.38SS..EExtended strand (participates in β ladder)trans-88.8125.9176-178.3-179.1163.4176.4-4.1109.4I152 Y154 N161I152-R159 VanDerWaalsContact CD1-NH2 3.33Å; I152-R159 HydrophobicContact CG2-CG 3.57Å; Y154-R159 HydrophobicContact CD1-CB 4.34Å; Y154-R159 HydrophobicContact CE1-CB 3.99Å; Y154-R159 HydrophobicContact CE1-CG 4.26Å; R159-N161 PolarHBondContact NE-OD1 3.47Å; R159-N161 PolarHBondContact NH2-OD1 3.09Å
160F94.8Very high95.6Very high102 Ų10280.7 Ų80.745%0.44738%0.384SS..EExtended strand (participates in β ladder)trans-113128.3172.7-65-93.4000108.6I152 V153 R155 R158I152-F160 CarbonylContact C-O 3.59Å; I152-F160 WeakPolarHBondContact CA-O 3.29Å; V153-F160 HydrophobicContact CB-CB 4.48Å; V153-F160 PolarHBondContact N-O 2.87Å; V153-F160 PolarHBondContact O-N 2.96Å; R155-F160 HydrophobicContact CB-CD2 4.04Å; R155-F160 HydrophobicContact CB-CE2 3.77Å; R155-F160 HydrophobicContact CG-CD2 4.32Å; R155-F160 HydrophobicContact CG-CE2 4.46Å; R158-F160 HydrophobicContact CB-CE2 3.77Å; R158-F160 HydrophobicContact CB-CZ 4.24Å; R158-F160 WeakPolarHBondContact O-CD2 3.35Å
161N96.4Very high95.6Very high96 Ų9680.9 Ų80.951%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-105.9128.1176.5-65.2-31.8000108.4T150 K151 R159T150-N161 HydrophobicContact CG2-CB 3.69Å; K151-N161 WeakPolarHBondContact O-CA 3.34Å; R159-N161 PolarHBondContact NE-OD1 3.47Å; R159-N161 PolarHBondContact NH2-OD1 3.09Å
162E96.3Very high95.6Very high97 Ų9784.2 Ų84.245%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-123.6124.7175.3177.4-178.1-166.600106.8K151 V164K151-E162 HydrophobicContact CB-CB 4.31Å; K151-E162 WeakPolarHBondContact CB-O 3.41Å; K151-E162 VanDerWaalsContact CD-OE2 3.28Å; K151-E162 WeakPolarHBondContact CD-OE2 3.41Å; K151-E162 VanDerWaalsContact CE-OE2 3.27Å; K151-E162 WeakPolarHBondContact CE-OE2 3.45Å; K151-E162 PolarHBondContact N-O 3.43Å; K151-E162 IonicContact NZ-OE1 3.28Å; K151-E162 IonicContact NZ-OE2 3.9Å; K151-E162 PolarHBondContact NZ-OE2 3.12Å; K151-E162 PolarHBondContact O-N 3.01Å; E162-V164 HydrophobicContact CG-CG2 4.35Å
163D97.6Very high95.7Very high86 Ų8685.9 Ų85.946%0.4642%0.417SS..EExtended strand (participates in β ladder)trans-87.7127.7178.9-73.5-29.4000110.5K148 T150K148-D163 HydrophobicContact CD-CB 4.47Å; K148-D163 WeakPolarHBondContact CE-OD2 3.38Å; K148-D163 HydrophobicContact CG-CB 4.29Å; K148-D163 IonicContact NZ-OD2 2.71Å; K148-D163 PolarHBondContact NZ-OD2 3.28Å; T150-D163 PolarHBondContact OG1-OD1 2.79Å
164V97.8Very high95.8Very high25 Ų2586.6 Ų86.615%0.15242%0.422CS..EExtended strand (participates in β ladder)trans-122.7140.8-175-177.50000109.3V107 V149 K151 E162V107-V164 HydrophobicContact CG1-CB 4.04Å; V107-V164 HydrophobicContact CG1-CG1 4.06Å; V107-V164 HydrophobicContact CG1-CG2 3.96Å; V149-V164 HydrophobicContact CG2-CB 4.43Å; V149-V164 PolarHBondContact N-O 3.13Å; V149-V164 PolarHBondContact O-N 3.35Å; K151-V164 HydrophobicContact CB-CG2 3.89Å; K151-V164 HydrophobicContact CD-CG2 4Å; E162-V164 HydrophobicContact CG-CG2 4.35Å
165I98.2Very high95.9Very high119 Ų11986.3 Ų86.361%0.6142%0.42SS*.EExtended strand (participates in β ladder)trans-96.2126.6176-60.2175.7000109.1N146 L147N146-I165 HydrophobicContact CB-CG2 3.68Å; L147-I165 WeakPolarHBondContact O-CA 3.18Å
166I97.9Very high96Very high0 Ų082.3 Ų82.30%041%0.411CS..EExtended strand (participates in β ladder)trans-116.8137.1174.462.3175.1000110.8I102 M106 V107 N146 L147 V149 V168I102-I166 HydrophobicContact CB-CD1 4.32Å; I102-I166 HydrophobicContact CD1-CD1 4.08Å; I102-I166 HydrophobicContact CG1-CD1 3.86Å; I102-I166 HydrophobicContact CG2-CD1 3.49Å; I102-I166 VanDerWaalsContact CG2-CD1 3.49Å; M106-I166 HydrophobicContact CB-CG2 4.3Å; M106-I166 HydrophobicContact CE-CD1 4.3Å; V107-I166 HydrophobicContact CG2-CG2 4.06Å; N146-I166 WeakPolarHBondContact CA-O 3.46Å; L147-I166 HydrophobicContact CB-CG1 4.04Å; L147-I166 PolarHBondContact N-O 3.3Å; L147-I166 PolarHBondContact O-N 3.32Å; V149-I166 HydrophobicContact CG1-CD1 3.67Å; V149-I166 HydrophobicContact CG1-CG1 4.04Å; V149-I166 HydrophobicContact CG2-CD1 4.12Å; V149-I166 HydrophobicContact CG2-CG1 4.26Å; V149-I166 HydrophobicContact CG2-CG2 3.97Å; I166-V168 HydrophobicContact CD1-CG2 4.45Å; I166-V168 HydrophobicContact CG1-CG2 4.39Å
167P98.1Very high96.2Very high79 Ų7979.1 Ų79.151%0.51339%0.387SS..EExtended strand (participates in β ladder)trans-80.1140.5171.432.6-33.2000110.5T144T144-P167 HydrophobicContact CG2-CB 3.99Å
168V98.1Very high96.4Very high2 Ų274 Ų741%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-132.3134.1178.3175.80000109.4M100 V123 T144 R145 L147 I166M100-V168 HydrophobicContact CE-CB 4.31Å; M100-V168 HydrophobicContact CE-CG1 3.72Å; M100-V168 HydrophobicContact CE-CG2 3.76Å; V123-V168 HydrophobicContact CB-CG1 4.44Å; V123-V168 HydrophobicContact CG1-CG1 3.36Å; T144-V168 WeakPolarHBondContact CA-O 3.24Å; R145-V168 PolarHBondContact N-O 3.16Å; R145-V168 PolarHBondContact O-N 3.18Å; L147-V168 HydrophobicContact CD1-CB 4.22Å; L147-V168 HydrophobicContact CD1-CG2 3.58Å; L147-V168 HydrophobicContact CG-CB 4.29Å; L147-V168 HydrophobicContact CG-CG2 3.8Å; I166-V168 HydrophobicContact CD1-CG2 4.45Å; I166-V168 HydrophobicContact CG1-CG2 4.39Å
169V98.3Very high96Very high57 Ų5768.7 Ų68.735%0.34536%0.356SS..EExtended strand (participates in β ladder)trans-103120.9-177.8-175.50000110.4R125 N142 A143R125-V169 PolarHBondContact NE-O 3.46Å; N142-V169 HydrophobicContact CB-CG1 3.91Å; A143-V169 WeakPolarHBondContact O-CA 3.31Å
170D98.6Very high95.1Very high17 Ų1767.3 Ų67.39%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-107.9135.4175.5-73.7-37000109.6V123 Q124 N142 A143 R145V123-D170 VanDerWaalsContact CA-OD1 3.23Å; V123-D170 WeakPolarHBondContact CA-OD1 3.38Å; Q124-D170 HydrophobicContact CB-CB 3.99Å; Q124-D170 PolarHBondContact N-OD1 2.71Å; Q124-D170 CarbonylContact O-C 3.54Å; Q124-D170 WeakPolarHBondContact O-CA 3.43Å; N142-D170 CarbonylContact C-O 3.55Å; N142-D170 WeakPolarHBondContact CA-O 3.3Å; A143-D170 PolarHBondContact N-O 2.81Å; A143-D170 PolarHBondContact O-N 3.37Å; R145-D170 IonicContact CZ-OD2 2.67Å; R145-D170 VanDerWaalsContact CZ-OD2 3.28Å; R145-D170 IonicContact NE-OD2 2.92Å; R145-D170 PolarHBondContact NE-OD2 2.98Å; R145-D170 IonicContact NH2-OD1 2.99Å; R145-D170 PolarHBondContact NH2-OD1 3.45Å; R145-D170 IonicContact NH2-OD2 2.81Å; R145-D170 PolarHBondContact NH2-OD2 3.48Å
171H98.6Very high93.9Very high33 Ų3370 Ų7015%0.15338%0.382CS..EExtended strand (participates in β ladder)trans-83126.6171.8-60.5-170.7000108.6V95 Q124 C126 P139 N142V95-H171 WeakPolarHBondContact CG1-O 3.44Å; Q124-H171 PolarHBondContact O-N 2.95Å; C126-H171 WeakPolarHBondContact CB-ND1 3.49Å; C126-H171 PolarHBondContact N-ND1 2.79Å; C126-H171 PolarHBondContact SG-ND1 3Å; C126-H171 VanDerWaalsContact SG-ND1 3.37Å; P139-H171 HydrophobicContact CB-CB 4.2Å; N142-H171 PolarHBondContact OD1-CD2 3.04Å; N142-H171 VanDerWaalsContact OD1-CD2 3.27Å
172V98.3Very high92.6Very high88 Ų8870.3 Ų70.353%0.53339%0.389SS..EExtended strand (participates in β ladder)trans-93.3-34.8-177.4-178.10000111.4V141 A143V141-V172 HydrophobicContact CB-CB 4.14Å; V141-V172 HydrophobicContact CG1-CB 4.05Å; V141-V172 HydrophobicContact CG1-CG2 4.24Å; V141-V172 PolarHBondContact O-N 2.96Å; A143-V172 HydrophobicContact CB-CG2 3.58Å
173S98.1Very high91.5Very high45 Ų4571 Ų7132%0.31540%0.403SS..EExtended strand (participates in β ladder)trans-149.4153.4177.459.40000111.2P139 V140P139-S173 WeakPolarHBondContact CA-O 3.34Å; V140-S173 PolarHBondContact N-O 3.12Å
174C97.8Very high90.3Very high31 Ų3172.1 Ų72.121%0.20941%0.414CS..EExtended strand (participates in β ladder)trans-124.9154.2-175.6-50.10000110.7K94 V95 C126 V138K94-C174 VanDerWaalsContact C-SG 3.53Å; V95-C174 WeakPolarHBondContact CG2-SG 3.34Å; V95-C174 PolarHBondContact N-SG 3.28Å; V95-C174 VanDerWaalsContact N-SG 3.4Å; C126-C174 WeakPolarHBondContact CA-SG 3.39Å; C126-C174 HydrophobicContact CB-CB 3.89Å; C126-C174 WeakPolarHBondContact CB-SG 3.5Å; C126-C174 VanDerWaalsContact SG-CA 3.56Å; C126-C174 WeakPolarHBondContact SG-CB 3.49Å; C126-C174 CovalentContact SG-SG 2.03Å; C126-C174 PolarHBondContact SG-SG 2.03Å; V138-C174 CarbonylContact O-C 3.54Å; V138-C174 VanDerWaalsContact O-CA 3.31Å; V138-C174 WeakPolarHBondContact O-CA 3.12Å
175R95.6Very high89Confident129 Ų12976.7 Ų76.749%0.48745%0.445SS..EExtended strand (participates in β ladder)trans-139.3161.5168.271.4-180176.5-1711.8111.5V138 V140V138-R175 HydrophobicContact CG2-CG 3.92Å; V138-R175 PolarHBondContact N-O 2.96Å; V138-R175 PolarHBondContact O-N 3.43Å; V140-R175 HydrophobicContact CG2-CB 3.61Å; V140-R175 HydrophobicContact CG2-CG 3.49Å; V140-R175 VanDerWaalsContact CG2-CG 3.49Å
176L94.7Very high87.3Confident80 Ų8078.5 Ų78.542%0.41945%0.451SS..EExtended strand (participates in β ladder)trans-76.4131.6159.2-54.8178000108.1C93 C130 L135C93-L176 HydrophobicContact CB-CD2 3.7Å; C130-L176 HydrophobicContact CB-CD2 3.95Å; C130-L176 VanDerWaalsContact SG-CD2 3.57Å; L135-L176 HydrophobicContact CD1-CD1 4.43Å
177Q93.2Very high85.4Confident64 Ų6490.1 Ų90.130%0.29949%0.494SS..EExtended strand (participates in β ladder)trans-132.3135.6175.3-173.8177.3-58.800109.5L135 Q136 V138 N179L135-Q177 CarbonylContact C-O 3.56Å; L135-Q177 WeakPolarHBondContact CA-O 3.4Å; Q136-Q177 PolarHBondContact N-O 2.78Å; Q136-Q177 PolarHBondContact O-N 2.98Å; V138-Q177 HydrophobicContact CG2-CB 3.57Å; V138-Q177 HydrophobicContact CG2-CG 4.48Å; Q177-N179 PolarHBondContact O-N 2.92Å
178P90Very high83.5Confident90 Ų9093.6 Ų93.658%0.58450%0.503SS*.EExtended strand (participates in β ladder)trans-54.2136.5169.8-26.335.5000111.4H134 L135H134-P178 CarbonylContact O-C 3.53Å; H134-P178 WeakPolarHBondContact O-CA 3.47Å; L135-P178 HydrophobicContact CD2-CG 4.05Å
179N83.5Confident81.4Confident70 Ų7098.9 Ų98.937%0.37454%0.538SS..PPolyproline II helixtrans-53.4132.1171.4-70.3-12.7000107.9R133 H134 Q177 L181R133-N179 PolarHBondContact O-ND2 3.07Å; H134-N179 PolarHBondContact O-N 3.43Å; Q177-N179 PolarHBondContact O-N 2.92Å; N179-L181 PolarHBondContact O-N 3.29Å
180P75.9Confident79.1Confident104 Ų104101 Ų10168%0.67556%0.561SS**PPolyproline II helixtrans-53.8118.2177.2-25.233.8000109.6
181L69.9Low76.9Confident157 Ų157105.2 Ų105.282%0.82259%0.592SS**PPolyproline II helixtrans-56.8132.1173.1-160.274.3000107N179N179-L181 PolarHBondContact O-N 3.29Å
182P69.2Low74.7Confident103 Ų103109.3 Ų109.367%0.66962%0.624SS**PPolyproline II helixtrans-53.3134.7176.921.3-32.9000108.8
183P73.2Confident72.3Confident113 Ų113112.5 Ų112.573%0.73464%0.638SS**PPolyproline II helixtrans-56136.3-177.923.2-33.2000108.8
184P72.5Confident69.9Low108 Ų108114.9 Ų114.970%0.70165%0.652SS**PPolyproline II helixtrans-55.6140.9179.724.1-33.8000108.8Q186P184-Q186 PolarHBondContact O-N 3.43Å
185P69.3Low67.4Low122 Ų122121.8 Ų121.879%0.79269%0.686SS**  trans-56.4113.8-178.322.7-32.9000108.6R187P185-R187 PolarHBondContact O-N 3.15Å
186Q63.8Low64.8Low157 Ų157124.1 Ų124.173%0.73470%0.7SS**  trans-62104.2179.4-72.3-171.6-4.900108P184 H188P184-Q186 PolarHBondContact O-N 3.43Å; Q186-H188 PolarHBondContact O-N 3.27Å
187R58Low62.6Low243 Ų243125.8 Ų125.892%0.91772%0.716SS**  trans-66.192.1162.5-72.9-175.2-178.2172.31.5106.5P185P185-R187 PolarHBondContact O-N 3.15Å
188H57.2Low60.7Low152 Ų152128.4 Ų128.470%0.70474%0.738SS**  trans-52126.7164.2-63.3-68.8000107.3Q186 A190Q186-H188 PolarHBondContact O-N 3.27Å; H188-A190 PolarHBondContact O-N 3.26Å
189P55.1Low58.2Low113 Ų113132.5 Ų132.573%0.73475%0.749SS**  trans-58.2133.1172.625.3-32.6000107.6S191P189-S191 VanDerWaalsContact C-N 3.33Å; P189-S191 PolarHBondContact O-N 3.23Å
190A49.8Very low56.3Low102 Ų102136 Ų13684%0.84377%0.768SS**  trans-66.194.4178.300000108.9H188 S192H188-A190 PolarHBondContact O-N 3.26Å; A190-S192 PolarHBondContact O-N 3.32Å; A190-S192 VanDerWaalsContact O-N 3.1Å
191S51.3Low55.3Low106 Ų106136 Ų13674%0.74177%0.768SS**  trans-59.3115.9167.4-71.20000108.2P189 L193P189-S191 VanDerWaalsContact C-N 3.33Å; P189-S191 PolarHBondContact O-N 3.23Å; S191-L193 PolarHBondContact O-N 3.43Å
192S53.6Low53.7Low118 Ų118137.4 Ų137.483%0.82577%0.77SS**  trans-59.1100.8173.139.70000110.2A190A190-S192 PolarHBondContact O-N 3.32Å; A190-S192 VanDerWaalsContact O-N 3.1Å
193L47.8Very low52.6Low156 Ų156137.9 Ų137.982%0.81777%0.773SS**PPolyproline II helixtrans-85139.9163.5-73.6172.5000109.1S191S191-L193 PolarHBondContact O-N 3.43Å
194P47.7Very low50.9Low94 Ų94140.3 Ų140.361%0.6178%0.779SS**PPolyproline II helixtrans-70.8149.5-175.129-35000112.1F196P194-F196 HydrophobicContact CG-CE2 4.19Å; P194-F196 PolarHBondContact O-N 2.84Å
195L45.3Very low49.6Very low176 Ų176140 Ų14092%0.92178%0.777SS**PPolyproline II helixtrans-60.2125.9174.4-131.171.7000110.5
196F39.1Very low48.3Very low179 Ų179140.2 Ų140.279%0.78578%0.778SS**  trans-114.7142.1162.9-79.8-80.9000109.7P194P194-F196 HydrophobicContact CG-CE2 4.19Å; P194-F196 PolarHBondContact O-N 2.84Å
197P49.6Very low47.3Very low115 Ų115142.2 Ų142.275%0.74779%0.785SS**  trans-75.6155.5-170.630.2-35.5000112.4
198P54.2Low46.8Very low118 Ų118136.7 Ų136.777%0.76678%0.778SS**  trans-85.7141.2-175.834-33.7000112.6
199H35.5Very low46.3Very low176 Ų176135 Ų13582%0.81578%0.78SS**  trans-158.2123141.4-118.6-65.5000115.4
200N44.1Very low46.4Very low144 Ų144135.6 Ų135.677%0.7778%0.782SS**  trans55.2145155.4-86.715.3000124.7
201P56.1Low47Very low105 Ų105134 Ų13468%0.68277%0.765SS**  trans-100.4146.9-176.738.9-32.1000113.4
202H36Very low47.2Very low186 Ų186136.9 Ų136.986%0.86176%0.764SS**  trans-139.4150.3150.1-94.9-66000110.3
203P44.8Very low47.4Very low113 Ų113134 Ų13473%0.73475%0.747SS**  trans-86.7141.8-153.332.6-36.2000113.9
204L37.7Very low47.9Very low163 Ų163130.5 Ų130.585%0.85373%0.729SS**  trans-112.5158.8162.7-108.782000110.5
205P46.3Very low48.6Very low101 Ų101131.9 Ų131.966%0.65673%0.731SS**PPolyproline II helixtrans-75159-15129.1-37.4000114.6K207P205-K207 PolarHBondContact O-N 2.86Å
206P42.2Very low49.5Very low127 Ų127128.4 Ų128.483%0.82571%0.71SS**PPolyproline II helixtrans-62.7119.9-178.325.5-34.4000111.6
207K43Very low50.6Low200 Ų200127.7 Ų127.787%0.8770%0.702SS**PPolyproline II helixtrans-75.3121.7164.7-67.6176.7-179.3173.90108.1P205 P209P205-K207 PolarHBondContact O-N 2.86Å; K207-P209 VanDerWaalsContact O-CD 3.31Å; K207-P209 WeakPolarHBondContact O-CD 3.49Å
208T46.1Very low51Low127 Ų127128.4 Ų128.478%0.77970%0.695SS**PPolyproline II helixtrans-63.7118.9175.347.80000110.9T210T208-T210 PolarHBondContact O-N 2.81Å
209P48Very low51.4Low115 Ų115127.1 Ų127.175%0.74768%0.682SS**  trans-75.9115.4165.630.4-29.5000108.3K207 S211K207-P209 VanDerWaalsContact O-CD 3.31Å; K207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-S211 PolarHBondContact O-N 2.88Å
210T55.8Low52.5Low126 Ų126123.5 Ų123.577%0.77367%0.668SS**  trans-71.378.6170.652.50000109.1T208T208-T210 PolarHBondContact O-N 2.81Å
211S62.3Low53.2Low70 Ų70122.4 Ų122.449%0.4966%0.662SS.*  trans-61.3147.8174.7176.70000110.3P209 A213 D214P209-S211 PolarHBondContact O-N 2.88Å; S211-A213 PolarHBondContact O-N 2.89Å; S211-A213 PolarHBondContact OG-N 3.4Å; S211-D214 WeakPolarHBondContact O-CB 3.43Å; S211-D214 PolarHBondContact O-N 3.02Å
212K56.7Low53.2Low166 Ų166124.5 Ų124.572%0.72266%0.66SS**Hα-helixtrans-50.8-29.7172.6-171.5175.1178.6179.90112.4D214 L215 H216K212-D214 VanDerWaalsContact C-N 3.31Å; K212-D214 PolarHBondContact O-N 3.37Å; K212-L215 PolarHBondContact O-N 2.03Å; K212-H216 PolarHBondContact O-CD2 2.89Å
213A58.2Low54Low57 Ų57122.2 Ų122.247%0.47165%0.65SS.*Hα-helixtrans-65.2-27175.800000114.6S211 R217S211-A213 PolarHBondContact O-N 2.89Å; S211-A213 PolarHBondContact OG-N 3.4Å; A213-R217 PolarHBondContact O-N 2.86Å
214D56.8Low54.2Low82 Ų82122 Ų12244%0.43964%0.643SS.*Hα-helixtrans-78.6-31.2-178.5-141.820.6000111.2S211 K212 R217 H218S211-D214 WeakPolarHBondContact O-CB 3.43Å; S211-D214 PolarHBondContact O-N 3.02Å; K212-D214 VanDerWaalsContact C-N 3.31Å; K212-D214 PolarHBondContact O-N 3.37Å; D214-R217 PolarHBondContact O-N 2.65Å; D214-H218 PolarHBondContact O-CD2 2.96Å; D214-H218 VanDerWaalsContact O-CD2 3.24Å; D214-H218 PolarHBondContact O-N 2.93Å
215L62.8Low55.1Low123 Ų123122.1 Ų122.164%0.64464%0.639SS**Hα-helixtrans-63.5-44.5172.3-16572.2000111.2K212 R217 H218K212-L215 PolarHBondContact O-N 2.03Å; L215-R217 PolarHBondContact O-N 2.84Å; L215-H218 PolarHBondContact O-N 2.84Å
216H63.2Low55.3Low104 Ų104125.4 Ų125.448%0.48165%0.645SS.*Hα-helixtrans-62.5-39.9177.7-68.6-61.5000112.6K212 H218 D219 D220K212-H216 PolarHBondContact O-CD2 2.89Å; H216-H218 PolarHBondContact O-N 3.45Å; H216-D219 PolarHBondContact O-N 2.73Å; H216-D219 VanDerWaalsContact O-N 3.14Å; H216-D220 PolarHBondContact O-N 3.13Å
217R63.7Low55.5Low163 Ų163126 Ų12662%0.61564%0.637SS**Hα-helixtrans-55.2-35.3174-98.2-174.9154.477.13.5113.4A213 D214 L215 L221A213-R217 PolarHBondContact O-N 2.86Å; D214-R217 PolarHBondContact O-N 2.65Å; L215-R217 PolarHBondContact O-N 2.84Å; R217-L221 WeakPolarHBondContact O-CD1 3.27Å; R217-L221 PolarHBondContact O-N 2.79Å
218H58.4Low55.5Low131 Ų131124.7 Ų124.761%0.60663%0.633SS**Hα-helixtrans-74.1-24.9-177.6-81.2-131.4000113.3D214 L215 H216D214-H218 PolarHBondContact O-CD2 2.96Å; D214-H218 VanDerWaalsContact O-CD2 3.24Å; D214-H218 PolarHBondContact O-N 2.93Å; L215-H218 PolarHBondContact O-N 2.84Å; H216-H218 PolarHBondContact O-N 3.45Å
219D61.8Low55Low91 Ų91126 Ų12649%0.48763%0.634SS.*Hα-helixtrans-80.7-38.6175-72.1-33.4000111.7H216 L221 K222 H223H216-D219 PolarHBondContact O-N 2.73Å; H216-D219 VanDerWaalsContact O-N 3.14Å; D219-L221 VanDerWaalsContact C-N 3.34Å; D219-L221 PolarHBondContact O-N 2.79Å; D219-K222 WeakPolarHBondContact O-CB 3.28Å; D219-K222 PolarHBondContact O-N 2.9Å; D219-K222 VanDerWaalsContact O-N 3.09Å; D219-H223 PolarHBondContact O-N 3Å; D219-H223 VanDerWaalsContact O-N 3.1Å
220D58.4Low54.6Low99 Ų99126.4 Ų126.453%0.52964%0.637SS.*Hα-helixtrans-59.8-41.8174.5-68.7-35000112.2H216 K222 H223 N224H216-D220 PolarHBondContact O-N 3.13Å; D220-K222 VanDerWaalsContact C-N 3.3Å; D220-K222 PolarHBondContact O-N 3.48Å; D220-H223 PolarHBondContact O-N 3.31Å; D220-N224 PolarHBondContact O-N 3.14Å; D220-N224 PolarHBondContact O-ND2 3.38Å
221L58.4Low53.6Low122 Ų122128.1 Ų128.164%0.63964%0.636SS**Hα-helixtrans-65.6-30.5175.9-92.388.7000112.9R217 D219 Q225R217-L221 WeakPolarHBondContact O-CD1 3.27Å; R217-L221 PolarHBondContact O-N 2.79Å; D219-L221 VanDerWaalsContact C-N 3.34Å; D219-L221 PolarHBondContact O-N 2.79Å; L221-Q225 PolarHBondContact O-N 3.27Å
222K56.8Low52.3Low148 Ų148134.5 Ų134.564%0.64366%0.655SS**Hα-helixtrans-71.9-40.5175.6-81.1-178.8177173.40112.3D219 D220 N224 Q225D219-K222 WeakPolarHBondContact O-CB 3.28Å; D219-K222 PolarHBondContact O-N 2.9Å; D219-K222 VanDerWaalsContact O-N 3.09Å; D220-K222 VanDerWaalsContact C-N 3.3Å; D220-K222 PolarHBondContact O-N 3.48Å; K222-N224 VanDerWaalsContact C-N 3.32Å; K222-N224 PolarHBondContact O-N 3.32Å; K222-Q225 PolarHBondContact O-N 2.82Å
223H53Low51.4Low139 Ų139134 Ų13464%0.64466%0.655SS**Hα-helixtrans-64.2-38.9-179.5-127.292.8000112.1D219 D220 H227D219-H223 PolarHBondContact O-N 3Å; D219-H223 VanDerWaalsContact O-N 3.1Å; D220-H223 PolarHBondContact O-N 3.31Å; H223-H227 PolarHBondContact O-ND1 2.81Å
224N49.4Very low50.2Low109 Ų109138.5 Ų138.558%0.58367%0.671SS**Hα-helixtrans-71.8-31177-73.8-69000113.2D220 K222 H226 H227D220-N224 PolarHBondContact O-N 3.14Å; D220-N224 PolarHBondContact O-ND2 3.38Å; K222-N224 VanDerWaalsContact C-N 3.32Å; K222-N224 PolarHBondContact O-N 3.32Å; N224-H226 PolarHBondContact O-N 3.37Å; N224-H227 PolarHBondContact O-N 2.87Å
225Q55.5Low49.4Very low165 Ų165140.6 Ų140.677%0.77169%0.689SS**Hα-helixtrans-69.6-21178.7-157.3171.7110.500113.3L221 K222L221-Q225 PolarHBondContact O-N 3.27Å; K222-Q225 PolarHBondContact O-N 2.82Å
226H50.5Low48.4Very low170 Ų170143 Ų14379%0.78770%0.702SS**THydrogen-bonded Turntrans-79.9-14.1176.3-104.4-105.6000114.6N224N224-H226 PolarHBondContact O-N 3.37Å
227H47.2Very low47.2Very low140 Ų140142.5 Ų142.565%0.64872%0.716SS**SBendtrans-90.3-7.4-174.2-79.582.8000114.7H223 N224H223-H227 PolarHBondContact O-ND1 2.81Å; N224-H227 PolarHBondContact O-N 2.87Å
228H41.8Very low46.1Very low172 Ų172146.7 Ų146.780%0.79673%0.731SS**  trans-11469.5-179.3-73-65.9000113.3
229L36.8Very low45.1Very low153 Ų153148.5 Ų148.580%0.80174%0.74SS**  trans-131.4110.4161.8-105.3156.7000108.6H231L229-H231 PolarHBondContact O-N 2.87Å
230P39.1Very low43.6Very low125 Ų125156.5 Ų156.581%0.81276%0.764SS**  trans-67.3127.2-175.125.6-32.8000111.2K232P230-K232 PolarHBondContact O-N 2.81Å
231H34.4Very low42.5Very low162 Ų162160.5 Ų160.575%0.7578%0.779SS**  trans-68.995-172.9-179-70.4000112.2L229 Q233L229-H231 PolarHBondContact O-N 2.87Å; H231-Q233 PolarHBondContact O-N 2.91Å
232K36.2Very low41.5Very low203 Ų203164.3 Ų164.388%0.88379%0.794SS**  trans-77.8116.1167.4-155175.4-172.8-178.10109P230 D234P230-K232 PolarHBondContact O-N 2.81Å; K232-D234 PolarHBondContact O-N 2.82Å
233Q36.7Very low40.4Very low157 Ų157160.7 Ų160.773%0.73480%0.799SS**  trans-70.1120.9-176.9-69.6170.5-8.300111.4H231H231-Q233 PolarHBondContact O-N 2.91Å
234D34.1Very low39.4Very low151 Ų151159.3 Ų159.381%0.80780%0.804SS**  trans-106.8110161.5-92.4-32.2000108.7K232 L236K232-D234 PolarHBondContact O-N 2.82Å; D234-L236 VanDerWaalsContact C-N 3.26Å; D234-L236 PolarHBondContact O-N 2.91Å
235P39.6Very low38.9Very low125 Ų125165.3 Ų165.381%0.81282%0.82SS**THydrogen-bonded Turntrans-83.536.7-165.133.6-37.5000115.3
236L41.1Very low38.3Very low174 Ų174163 Ų16391%0.91182%0.818SS**THydrogen-bonded Turntrans-128.911.6-177.7-81173000115.8D234D234-L236 VanDerWaalsContact C-N 3.26Å; D234-L236 PolarHBondContact O-N 2.91Å
237A38.6Very low37.8Very low93 Ų93163.9 Ų163.977%0.76982%0.822SS**  trans-111.963.2-178.800000113.4
238R40.5Very low37.3Very low251 Ų251165.5 Ų165.595%0.94784%0.835SS**  trans-134.841.8178.6-92.8-75.8178.5164.6-1.1114.4
239Q37.7Very low37.1Very low170 Ų170163.2 Ų163.279%0.79483%0.833SS**  trans-153.780.2165.4-163.6173.95.900113.7
240W29.9Very low36.8Very low259 Ų259167.3 Ų167.398%0.98184%0.837SS**  trans-133.5115154.2-79.397.7000108.4
241Q35.9Very low36.6Very low183 Ų183172 Ų17286%0.85584%0.839SS**  trans-75.5147.2-179.6-68.7-136.9-39.600111G243Q241-G243 PolarHBondContact O-N 2.99Å
242Q37.7Very low36.7Very low202 Ų202170.5 Ų170.594%0.94484%0.842SS**  trans-69.4119.8173.2-65.6169.1-17.400108.6
243G33.7Very low36.5Very low72 Ų72169.4 Ų169.474%0.74284%0.84SS**  trans-134.8134.2178.600000110.7Q241Q241-G243 PolarHBondContact O-N 2.99Å
244S31Very low36.4Very low109 Ų109167.8 Ų167.876%0.76284%0.843SS**  trans-68.7133.1-168.552.70000114.4T246S244-T246 PolarHBondContact O-N 2.67Å
245Y38.1Very low36.4Very low235 Ų235171.2 Ų171.292%0.92284%0.844SS**SBendtrans-80.575.4173-174.6-99.2000111.8
246T44.3Very low36Very low118 Ų118171.9 Ų171.972%0.72485%0.846SS**  trans-147.860.3167.851.80000112S244S244-T246 PolarHBondContact O-N 2.67Å
247Q39.5Very low35.6Very low188 Ų188171.5 Ų171.588%0.87984%0.839SS**  trans-160.7107.7163.4-114.8177.637.200110.6
248L36.9Very low35.3Very low173 Ų173176 Ų17691%0.90684%0.844SS**  trans179.661.8151.5-102.2165.7000112.6
249V38.1Very low34.9Very low124 Ų124168.5 Ų168.575%0.75284%0.835SS**  trans-140.279.2153.2-169.10000108.5
250R28.8Very low34.9Very low239 Ų239166.4 Ų166.490%0.90284%0.836SS**  trans-102.388.6173.1-168.2177.3-166.1164.26.2109.2
251W35.8Very low35Very low225 Ų225161 Ų16185%0.85283%0.833SS**  trans-61.6134.7168.2-75.694.4000110
252T35.8Very low34.7Very low130 Ų130163 Ų16380%0.79883%0.834SS**  trans-82113.5174.945.60000110.2
253Q33.5Very low34.5Very low180 Ų180157 Ų15784%0.84182%0.819SS**PPolyproline II helixtrans-79.4149161.3-72-170.40.700110.5
254P34.6Very low34.5Very low123 Ų123162.8 Ų162.880%0.79983%0.827SS**PPolyproline II helixtrans-66.1133.6170.8-15.330000110.9V256P254-V256 PolarHBondContact O-N 3.16Å
255R32.4Very low34.5Very low223 Ų223164.4 Ų164.484%0.84283%0.832SS**PPolyproline II helixtrans-75.1120.2170.5-78.2-178.8179.2150.4-1.3110.1
256V32.5Very low34.1Very low138 Ų138164.2 Ų164.284%0.83683%0.83SS**PPolyproline II helixtrans-75.2124.6152.4179.80000107.1P254P254-V256 PolarHBondContact O-N 3.16Å
257H32.5Very low33.5Very low166 Ų166166.5 Ų166.577%0.76984%0.837SS**PPolyproline II helixtrans-80.6117.4175.3-80.9-97.1000110.1
258Q32.3Very low33.2Very low189 Ų189163 Ų16388%0.88383%0.829SS**PPolyproline II helixtrans-89.3132.8157.8-87.1179.7-11.100109.3
259A32.1Very low32.8Very low92 Ų92160.7 Ų160.776%0.7682%0.822SS**PPolyproline II helixtrans-81.8148175.200000110.9
260P38.3Very low32.5Very low126 Ų126159.6 Ų159.682%0.81883%0.825SS**PPolyproline II helixtrans-77.7133.7178.731.3-33.6000111.6
261T30.2Very low32.5Very low147 Ų147151.5 Ų151.590%0.90282%0.816SS**PPolyproline II helixtrans-75.1121168.134.60000110.4
262Y30.5Very low32.2Very low223 Ų223151 Ų15188%0.87582%0.821SS**PPolyproline II helixtrans-94.4144.7170.3-174.3-99.9000110.6
263A34Very low32Very low78 Ų78152.9 Ų152.965%0.64583%0.825SS**PPolyproline II helixtrans-75.8155.7-172.800000113.5
264Q33.5Very low31.8Very low192 Ų192148.2 Ų148.290%0.89783%0.825SS**PPolyproline II helixtrans-74.1143.4-178.8-64.4172-18.500113.1
265T30Very low31.5Very low143 Ų143148 Ų14888%0.87783%0.826SS**  trans-140141.6148.5-51.50000109.4
266R30.8Very low31.2Very low231 Ų231144.3 Ų144.387%0.87283%0.829SS**  trans-67.9151.2-172-63.2173.1167.5-168.8-4.1114.4
267L31.6Very low31.1Very low166 Ų166141.2 Ų141.287%0.86983%0.825SS**  -173.7174.1108.1-98.8151.1000112.2
268T31.8Very low30.9Very low116 Ų116139.8 Ų139.871%0.71283%0.828SS**  trans-105.4160.9-151.148.30000116.2
269T29.6Very low30.7Very low124 Ų124142.7 Ų142.776%0.76183%0.831SS**  136.9136.6124.5-59.70000114.6
270A30.9Very low30.8Very low100 Ų100143.8 Ų143.883%0.82683%0.83SS**  trans61.8135.4166.300000118.6
271G28.8Very low30.4Very low69 Ų69143.6 Ų143.671%0.71183%0.832SS**  trans-123.9174.2174.800000112.3
272F29.3Very low30.4Very low214 Ų214146 Ų14694%0.93983%0.833SS**  trans-154158.6160.4-121-87.3000109.9
273L32.8Very low30.4Very low171 Ų171139.6 Ų139.690%0.89583%0.826SS**  trans-78.1148.7-170.1-67.3142.5000113.3
274G28.6Very low30.1Very low82 Ų82145.8 Ų145.885%0.84583%0.833SS**  trans-168.8120.6173.100000113.3
275S28.2Very low29.8Very low117 Ų117141 Ų14182%0.81883%0.825SS**  trans-85.3148.3-164.1-89.10000117.5
276V27.6Very low29.7Very low147 Ų147140.3 Ų140.389%0.89181%0.812SS**  trans68.9132.2137.7174.70000119.5
277G29.5Very low29.7Very low73 Ų73138.4 Ų138.475%0.75381%0.813SS**  trans170.82168.200000118.5
278T27.4Very low29.4Very low136 Ų136135.8 Ų135.883%0.83481%0.808SS**  trans-86.6118.1-178.2-40.40000112
279W28.9Very low29.2Very low249 Ų249136.4 Ų136.494%0.94381%0.812SS**  trans-119.5140.8161.6-10245.6000110.1
280P35.1Very low29.1Very low115 Ų115137.3 Ų137.375%0.74781%0.811SS**  trans-105.8171.5-167.324.5-4.8000113.8
281S29.3Very low28.8Very low122 Ų122140.3 Ų140.385%0.85381%0.808SS**PPolyproline II helixtrans-65140.9176.9-49.90000113.3
282E29.3Very low28.8Very low199 Ų199141.1 Ų141.193%0.9380%0.803SS**PPolyproline II helixtrans-70.7145170.6-85.6177.495.500112.8
283A30.4Very low29.3Very low88 Ų88136 Ų13673%0.72779%0.791SS**PPolyproline II helixtrans-95.9143.8179.700000112.3
284R27.3Very low29.1Very low208 Ų208137.4 Ų137.479%0.78579%0.793SS**  3.8114.2126.1-174.4179.6-172.1149.7-2.5115.3E286R284-E286 HydrophobicContact CG-CG 4.17Å; R284-E286 IonicContact CZ-OE1 3.15Å; R284-E286 IonicContact NE-OE1 2.86Å; R284-E286 PolarHBondContact NE-OE1 2.63Å; R284-E286 IonicContact NH2-OE1 2.65Å; R284-E286 PolarHBondContact NH2-OE1 2.81Å
285A28.4Very low29.1Very low90 Ų90139.7 Ų139.774%0.74479%0.791SS**  trans-96.7126.116000000109.8
286E27.7Very low29.1Very low129 Ų129139.9 Ų139.960%0.60379%0.787SS**  trans-108.9146.6163.4-59.6-167.9156.500108.3R284R284-E286 HydrophobicContact CG-CG 4.17Å; R284-E286 IonicContact CZ-OE1 3.15Å; R284-E286 IonicContact NE-OE1 2.86Å; R284-E286 PolarHBondContact NE-OE1 2.63Å; R284-E286 IonicContact NH2-OE1 2.65Å; R284-E286 PolarHBondContact NH2-OE1 2.81Å
287H30.7Very low29Very low192 Ų192140.5 Ų140.589%0.88979%0.785SS**  trans-131117.2169.3-85.8-90.5000109.6
288S25.8Very low28.9Very low110 Ų110144.4 Ų144.477%0.76978%0.784SS**  trans-97.8127.3175.2-70.90000111.8
289V27.7Very low28.9Very low129 Ų129145.7 Ų145.778%0.78278%0.778SS**  27.6122.2129.4-173.30000119.3
290L26.5Very low28.8Very low143 Ų143139.8 Ų139.875%0.74977%0.765SS**  -171.1110.9116.3-14756.4000108.2
291E25.7Very low28.4Very low163 Ų163139.6 Ų139.676%0.76277%0.766SS**  67.1144.2101.3-117.5-155.3117.500114.8
292S28.8Very low28.3Very low86 Ų86139.5 Ų139.560%0.60176%0.76SS**  cis-154-156.312.2-153.40000110.4
293P39.4Very low28.3Very low107 Ų107135.8 Ų135.870%0.69575%0.751SS**  -124.6167.2-116.640.3-22.9000116.4
294Q28.8Very low28.2Very low201 Ų201136.9 Ų136.994%0.93975%0.754SS**  trans-144149151.4-78.5-155.2-13.500113.1
295T29Very low28.3Very low129 Ų129135.6 Ų135.679%0.79176%0.757SS**  trans-107.1141.9-166.348.70000113.9
296V28.3Very low28.3Very low122 Ų122138 Ų13874%0.73976%0.762SS**  trans26.3115.5140.3-176.30000117.9
297N25.7Very low28.4Very low160 Ų160139.5 Ų139.586%0.85677%0.774SS**  -158161.7119.5-118.3-43000114.8
298Q26.9Very low28.4Very low155 Ų155134.4 Ų134.472%0.72477%0.774SS**  trans-91.6161.7-171-57.5171.50.300113
299K27.3Very low28.4Very low163 Ų163137.5 Ų137.571%0.70978%0.776SS**  124.5119.4117.2-151.8158.3-172.1173.70118.7
300D27.5Very low28.5Very low125 Ų125136 Ų13667%0.66877%0.767SS**  trans50.6140.9144.9-52.8-14.7000124.7
301S25.7Very low28.7Very low111 Ų111134.5 Ų134.578%0.77676%0.764SS**  trans71.9150.3145.7-80.20000119.8
302V28.6Very low29Very low119 Ų119133.7 Ų133.772%0.72176%0.76SS**  cis170.9130.9-19.2128.50000104.1
303T28.4Very low29.1Very low121 Ų121137.2 Ų137.274%0.74277%0.766SS**  trans53.7127.3162.1-39.60000118
304S27.7Very low28.7Very low112 Ų112141.8 Ų141.878%0.78378%0.775SS**  -176.6162.984.7-640000113.6
305Q30.4Very low28.8Very low181 Ų181139.6 Ų139.685%0.84677%0.765SS**  trans-65.6163.4175.7-58157-27.600113.7
306T28.3Very low28.9Very low139 Ų139140.1 Ų140.185%0.85377%0.768SS**  -168.9152.5125.3-70.70000110.5
307N30Very low29.2Very low161 Ų161141.9 Ų141.986%0.86177%0.768SS**  trans-88.5168.5-172.1-51.9-43.2000113.8
308G29.5Very low29.4Very low85 Ų85139.1 Ų139.188%0.87676%0.761SS**  trans-16485.2179.300000115.6
309E26.7Very low29.6Very low176 Ų176140.8 Ų140.882%0.82277%0.766SS**  trans-73.9124-174.2-17167.6-166.500114.7
310V29.8Very low29.7Very low98 Ų98136 Ų13659%0.59476%0.764SS**  73.2125.8128.2168.20000125.2
311T31.3Very low29.9Very low111 Ų111137.8 Ų137.868%0.68177%0.773SS**  trans68.9164.1151.260.30000121.6
312H31.6Very low30.1Very low146 Ų146135.8 Ų135.868%0.67677%0.77SS**  cis-149.8170.219-122.1-62.7000115.6
313H31.1Very low31Very low159 Ų159135.9 Ų135.974%0.73677%0.773SS**  trans-35.7161.1179.4-52.2-37.2000122.8
314K30.5Very low31.4Very low204 Ų204139.6 Ų139.689%0.88778%0.779SS**  -147.4146.8119.5-160.4167.1-176.8178.10113
315Q30.1Very low31.6Very low155 Ų155142.1 Ų142.172%0.72478%0.784SS**  trans-134.9147-177178.2-173.56.100108.9
316V31.1Very low31.7Very low140 Ų140136.5 Ų136.585%0.84877%0.774SS**  trans-145.3149.7162.4-177.70000108.8
317E34.2Very low32Very low159 Ų159136.5 Ų136.574%0.74377%0.774SS**  trans-137.5152.1-161177.1-172.5126.900111.8
318S31.3Very low32.1Very low102 Ų102138.6 Ų138.671%0.71378%0.775SS**  trans176.8108.6154175.90000109
319K30.6Very low32.6Very low189 Ų189145.7 Ų145.782%0.82278%0.776SS**  68.4123.682-166.1-173.8-169.2179.60112.3
320G30.3Very low32.9Very low64 Ų64146.2 Ų146.266%0.6678%0.778SS**  cis-155.6-159.8-4.900000108.3
321D30.5Very low33Very low161 Ų161150.3 Ų150.386%0.86179%0.791SS**  cis-158.8-169.9-4.4-86.8-55.2000108.8
322G29.5Very low33.3Very low70 Ų70150.9 Ų150.972%0.72280%0.799SS**  trans-119.4-156.8178.900000114.6
323P47.4Very low33.3Very low121 Ų121147.5 Ų147.579%0.78680%0.804SS**  cis-144.4174.4-3.843.8-25.4000117.6
324K36.5Very low33.5Very low198 Ų198146 Ų14686%0.86181%0.812SS**  trans57.7121.8142.9-78.2-178.6178.5-175.60125.1
325D33.5Very low33.8Very low166 Ų166140.4 Ų140.489%0.88880%0.803SS**  83.3152.5123.8-15724.7000122.3
326G32.2Very low34.1Very low62 Ų62139.9 Ų139.964%0.63981%0.811SS**  trans11256.6141.400000122.4
327T33.9Very low34.5Very low139 Ų139138.4 Ų138.485%0.85381%0.806SS**  trans-24.4130.1161.4-48.80000118.6
328K32.9Very low34.6Very low205 Ų205134.5 Ų134.589%0.89181%0.809SS**  -176174.6128.7-101.7171.4-172.8-175.30115
329R38.7Very low34.8Very low234 Ų234137 Ų13788%0.88381%0.814SS**  trans-94.1-176.7-162.3-74.7179.1166.9179.5-5.2114.9
330E33.5Very low35.2Very low188 Ų188131.9 Ų131.988%0.87980%0.802SS**  trans89.7143.6174.6-55.4176.8155.400112.3
331E32Very low35.4Very low184 Ų184135.4 Ų135.486%0.8681%0.806SS**  cis-147-179.86.4-168.3168.1107.700111.3
332S38.1Very low35.7Very low122 Ų122138.3 Ų138.385%0.85381%0.805SS**  trans-67.9163.9-171.4-51.80000119.2
333G30.4Very low36Very low76 Ų76138.1 Ų138.178%0.78480%0.797SS**  trans-167.6133.9163.100000114.4
334S37Very low35.4Very low127 Ų127140.5 Ų140.589%0.88880%0.797SS**  trans-73.9176.9-173.4-540000114.7
335A35.8Very low35.3Very low86 Ų86135.6 Ų135.671%0.71179%0.794SS**  cis-16915629.800000116.6
336V37.4Very low35.2Very low145 Ų145131.9 Ų131.988%0.87979%0.786SS**  trans65.5143.5142.8172.50000118.9
337S38.1Very low35.4Very low109 Ų109136 Ų13676%0.76279%0.793SS**  cis-134.1154.610.743.20000111.6
338G36.4Very low35.5Very low77 Ų77138.1 Ų138.179%0.79479%0.793SS**  89.5131.986.700000111.5
339D35.9Very low35.5Very low153 Ų153135.2 Ų135.282%0.81878%0.783SS**  cis-157.1170.115.1-153.1-22.8000111.7
340S39Very low35.5Very low83 Ų83131.6 Ų131.658%0.5877%0.774SS**  trans-5.7159.3160.939.30000122.2
341D33.8Very low35.6Very low138 Ų138129.4 Ų129.474%0.73876%0.764SS**  cis-162.5139.4-0.8-110.8-35.4000108.2
342R36.8Very low35.8Very low222 Ų222127.6 Ų127.684%0.83876%0.76SS**  71133.393.5-160174.9-175.4147.56.3115.5
343A35.8Very low35.8Very low66 Ų66128.7 Ų128.755%0.54576%0.756SS.*  cis-161.5167-0.100000113.8
344E35.5Very low36.2Very low171 Ų171131 Ų13180%0.79976%0.76SS**  trans62125.8144.7-72.8167.7104.100120.2
345A33.6Very low36.3Very low95 Ų95135.1 Ų135.179%0.78576%0.762SS**  79.7144.161.600000112.6
346A33.2Very low36.2Very low88 Ų88136.3 Ų136.373%0.72777%0.765SS**  cis-154.2168.53.800000112.7
347N35.5Very low36.1Very low148 Ų148134.7 Ų134.779%0.79176%0.761SS**  trans5.9134.1151.3-57.2-27.4000121.9
348Q35.1Very low36.5Very low183 Ų183133.6 Ų133.686%0.85577%0.766SS**  171.5162.3119.3-93.5166.440.900108.1
349E34Very low36.3Very low144 Ų144133.3 Ų133.367%0.67376%0.763SS**  cis172.2160.2-25.8-164.4-167.3132.600103.7
350K38Very low36.5Very low158 Ų158130.7 Ų130.769%0.68776%0.763SS**  trans72.1119.2169.3-74.2-180175.21680118
351E36.7Very low36.7Very low143 Ų143134 Ų13467%0.66877%0.774SS**  86.3116.763.1-177.9-173.8-165.700111.3
352N34.8Very low37.5Very low146 Ų146135.8 Ų135.878%0.78178%0.778SS**  178.7156.5127.1-97.6-69.4000112.8
353D38.8Very low38.9Very low145 Ų145129.5 Ų129.578%0.77576%0.76SS**  trans-67.6156.9-169.6-68.9-77.3000116.9
354S39.4Very low40.8Very low125 Ų125130.2 Ų130.287%0.87476%0.758SS**  trans-152.4106.4152.9-82.30000112.3
355K39.1Very low42.2Very low212 Ų212127.9 Ų127.992%0.92275%0.747SS**  trans-76119.5179.9170.2-175.1179.8177.40112
356S33.2Very low44.2Very low111 Ų111130.8 Ų130.878%0.77675%0.745SS**  trans-156.2147148.864.20000115
357S36Very low46.3Very low112 Ų112131.6 Ų131.678%0.78373%0.733SS**  trans-29.2137.1172.549.50000120.3
358G45.8Very low48.3Very low85 Ų85132.9 Ų132.988%0.87673%0.727SS**  71.580.4125.900000118
359G31.2Very low50.3Low71 Ų71132 Ų13273%0.73272%0.716SS**  trans-118.1139.3164.300000110.9
360A41.3Very low52.5Low99 Ų99132.1 Ų132.182%0.81871%0.714SS**  trans-74.8140.1172.300000110.5H362A360-H362 VanDerWaalsContact C-N 3.35Å; A360-H362 PolarHBondContact O-N 2.91Å
361D42.8Very low54.5Low152 Ų152130.5 Ų130.581%0.81371%0.707SS**  trans-65.385.6-178.9-64.4-48.5000112.4L363D361-L363 PolarHBondContact O-N 2.85Å
362H51.1Low56.1Low175 Ų175128.8 Ų128.881%0.8170%0.702SS**  trans-80.470169.9-164.4-70.8000110.1A360 T364A360-H362 VanDerWaalsContact C-N 3.35Å; A360-H362 PolarHBondContact O-N 2.91Å; H362-T364 PolarHBondContact O-N 3.09Å
363L65.8Low57.8Low91 Ų91126.7 Ų126.748%0.47669%0.69SS.*  trans-52.8132.5175.7-62.5179.2000110.4D361 E367D361-L363 PolarHBondContact O-N 2.85Å; L363-E367 HydrophobicContact CD2-CG 4.28Å
364T74.9Confident59.4Low81 Ų81126.2 Ų126.250%0.49768%0.683SS.*  trans-68.3155.8179.157.30000111H362 E366 E367 R368H362-T364 PolarHBondContact O-N 3.09Å; T364-E366 PolarHBondContact O-N 2.87Å; T364-E366 VanDerWaalsContact O-N 3.14Å; T364-E367 PolarHBondContact O-N 2.94Å; T364-E367 VanDerWaalsContact O-N 3.09Å; T364-R368 PolarHBondContact O-N 3.42Å
365E66.6Low60.5Low122 Ų122126.6 Ų126.657%0.5767%0.673SS**Hα-helixtrans-56.2-30.8178.9-174.267.4-175.200112.1R369E365-R369 VanDerWaalsContact O-CG 3.3Å; E365-R369 WeakPolarHBondContact O-CG 3.32Å; E365-R369 PolarHBondContact O-N 3.13Å
366E74.9Confident61.9Low156 Ų156121.5 Ų121.573%0.72966%0.659SS**Hα-helixtrans-70.1-44.5176.2-170.5169.3-176.500112.6T364 R368 R369 K370T364-E366 PolarHBondContact O-N 2.87Å; T364-E366 VanDerWaalsContact O-N 3.14Å; E366-R368 VanDerWaalsContact C-N 3.29Å; E366-R368 PolarHBondContact O-N 2.79Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 PolarHBondContact O-N 3.04Å
367E77.7Confident63.3Low104 Ų104123.6 Ų123.649%0.48666%0.657SS.*Hα-helixtrans-62.7-39174.1-162.2111.7-130.500111.2L363 T364 K370 K371L363-E367 HydrophobicContact CD2-CG 4.28Å; T364-E367 PolarHBondContact O-N 2.94Å; T364-E367 VanDerWaalsContact O-N 3.09Å; E367-K370 PolarHBondContact O-N 2.84Å; E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 3.04Å
368R76.1Confident64.2Low175 Ų175122 Ų12266%0.6665%0.646SS**Hα-helixtrans-63.6-40.2174.9-162.1177.5-167.4159.75.4112.1T364 E366 L372T364-R368 PolarHBondContact O-N 3.42Å; E366-R368 VanDerWaalsContact C-N 3.29Å; E366-R368 PolarHBondContact O-N 2.79Å; R368-L372 WeakPolarHBondContact O-CB 3.43Å; R368-L372 PolarHBondContact O-N 3.03Å; R368-L372 VanDerWaalsContact O-N 3.12Å
369R78.3Confident64.4Low165 Ų165126.2 Ų126.262%0.62364%0.643SS**Hα-helixtrans-67.1-42.5173.3-77173.3174.1-147.2-2.6112.3E365 E366 L372 L373E365-R369 VanDerWaalsContact O-CG 3.3Å; E365-R369 WeakPolarHBondContact O-CG 3.32Å; E365-R369 PolarHBondContact O-N 3.13Å; E366-R369 PolarHBondContact O-N 2.82Å; R369-L372 PolarHBondContact O-N 2.85Å; R369-L373 PolarHBondContact O-N 2.85Å
370K80.5Confident65.2Low147 Ų147127.5 Ų127.564%0.63964%0.638SS**Hα-helixtrans-62.4-44.3178.5-163.1175.6-177.2-177.20111.5E366 E367 L372 L373 E374E366-K370 WeakPolarHBondContact O-CB 3.36Å; E366-K370 PolarHBondContact O-N 3.04Å; E367-K370 PolarHBondContact O-N 2.84Å; K370-L372 VanDerWaalsContact C-N 3.31Å; K370-L372 PolarHBondContact O-N 2.81Å; K370-L373 WeakPolarHBondContact O-CB 3.47Å; K370-L373 PolarHBondContact O-N 2.87Å; K370-E374 PolarHBondContact O-N 2.77Å
371K79.1Confident65.3Low123 Ų123130.4 Ų130.454%0.53564%0.64SS.*Hα-helixtrans-66.1-29.5174.5-166.8165.4-171.6165.40113.5E367 M375E367-K371 WeakPolarHBondContact O-CB 3.39Å; E367-K371 PolarHBondContact O-N 3.04Å; K371-M375 WeakPolarHBondContact O-CB 2.92Å; K371-M375 PolarHBondContact O-N 2.93Å; K371-M375 VanDerWaalsContact O-N 3.16Å
372L71.1Confident65Low108 Ų108131.8 Ų131.857%0.56564%0.638SS**Hα-helixtrans-73.6-39.6173.9-154.7157.8000111R368 R369 K370 M375 V376R368-L372 WeakPolarHBondContact O-CB 3.43Å; R368-L372 PolarHBondContact O-N 3.03Å; R368-L372 VanDerWaalsContact O-N 3.12Å; R369-L372 PolarHBondContact O-N 2.85Å; K370-L372 VanDerWaalsContact C-N 3.31Å; K370-L372 PolarHBondContact O-N 2.81Å; L372-M375 PolarHBondContact O-N 2.92Å; L372-V376 HydrophobicContact CD2-CG2 4.06Å; L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.43Å; L372-V376 PolarHBondContact O-N 3.38Å
373L69.3Low64.6Low101 Ų101130.3 Ų130.353%0.52964%0.636SS.*Hα-helixtrans-62.6-44.6172.5-84.5157.8000112.5R369 K370 M375 V376 Q377R369-L373 PolarHBondContact O-N 2.85Å; K370-L373 WeakPolarHBondContact O-CB 3.47Å; K370-L373 PolarHBondContact O-N 2.87Å; L373-M375 VanDerWaalsContact C-N 3.32Å; L373-M375 PolarHBondContact O-N 2.71Å; L373-V376 PolarHBondContact O-N 2.81Å; L373-Q377 WeakPolarHBondContact O-CG 3.31Å; L373-Q377 PolarHBondContact O-N 2.82Å
374E73.4Confident63.4Low136 Ų136131.7 Ų131.764%0.63665%0.651SS**Hα-helixtrans-61-40.3176-171.2179.9-177.200112K370 Q377 S378K370-E374 PolarHBondContact O-N 2.77Å; E374-Q377 PolarHBondContact O-N 2.88Å; E374-S378 WeakPolarHBondContact O-CB 3.35Å; E374-S378 PolarHBondContact O-N 2.84Å; E374-S378 PolarHBondContact O-OG 2.97Å
375M63.1Low61.5Low133 Ų133136.2 Ų136.266%0.65567%0.671SS**Hα-helixtrans-71.4-26.7177.5-159.6-174.2-44.400113.4K371 L372 L373K371-M375 WeakPolarHBondContact O-CB 2.92Å; K371-M375 PolarHBondContact O-N 2.93Å; K371-M375 VanDerWaalsContact O-N 3.16Å; L372-M375 PolarHBondContact O-N 2.92Å; L373-M375 VanDerWaalsContact C-N 3.32Å; L373-M375 PolarHBondContact O-N 2.71Å
376V67.1Low60.2Low104 Ų104138 Ų13863%0.6368%0.683SS**Hα-helixtrans-81.6-23.6174.1169.30000112L372 L373L372-V376 HydrophobicContact CD2-CG2 4.06Å; L372-V376 VanDerWaalsContact O-CG2 3.31Å; L372-V376 WeakPolarHBondContact O-CG2 3.43Å; L372-V376 PolarHBondContact O-N 3.38Å; L373-V376 PolarHBondContact O-N 2.81Å
377Q63.8Low58.3Low155 Ų155139.5 Ų139.572%0.72469%0.69SS**SBendtrans-91-1.9177.1-68.5175.52700113.8L373 E374L373-Q377 WeakPolarHBondContact O-CG 3.31Å; L373-Q377 PolarHBondContact O-N 2.82Å; E374-Q377 PolarHBondContact O-N 2.88Å
378S53.6Low56.5Low79 Ų79139.3 Ų139.355%0.55270%0.698SS**  trans-11442.1-178.548.50000113.9E374E374-S378 WeakPolarHBondContact O-CB 3.35Å; E374-S378 PolarHBondContact O-N 2.84Å; E374-S378 PolarHBondContact O-OG 2.97Å
379E50.6Low54.6Low174 Ų174140 Ų14081%0.81371%0.708SS**  trans-74.9125.3156.6-90.9-91.9104.600109.1D381E379-D381 PolarHBondContact O-N 3.01Å
380P49.1Very low52.5Low97 Ų97141.4 Ų141.463%0.6372%0.722SS**  trans-78.1111.3175.430.1-31.6000110.2K382P380-K382 PolarHBondContact O-N 3.12Å
381D41.7Very low50.2Low161 Ų161145.5 Ų145.586%0.86173%0.734SS**  trans-50130.9170.8-118.6-36.6000110.8E379E379-D381 PolarHBondContact O-N 3.01Å
382K38.6Very low48.2Very low181 Ų181145.4 Ų145.479%0.78775%0.745SS**  trans-130.896.2175.7-80.7-165175-174.80110.8P380P380-K382 PolarHBondContact O-N 3.12Å
383D41.9Very low46.7Very low143 Ų143149.8 Ų149.877%0.76576%0.76SS**  trans-49131.2170.4-71.1-57.6000112.5L385D383-L385 PolarHBondContact O-N 3.09Å
384P39.6Very low45.1Very low120 Ų120150.9 Ų150.978%0.77977%0.773SS**  trans-71.397.5168.5-18.132.4000111L386P384-L386 PolarHBondContact O-N 3.14Å
385L36.5Very low43.5Very low176 Ų176151.1 Ų151.192%0.92178%0.784SS**  trans-61.599.1167.4-76170.7000110.6D383D383-L385 PolarHBondContact O-N 3.09Å
386L39.1Very low42.1Very low159 Ų159150.7 Ų150.783%0.83279%0.789SS**  trans-69.4128.8168-72.3167.4000110.2P384P384-L386 PolarHBondContact O-N 3.14Å
387H34.6Very low40.4Very low188 Ų188156 Ų15687%0.8780%0.804SS**  trans-146154.6151-109.763.3000111.1
388P39.7Very low39.1Very low100 Ų100158.3 Ų158.365%0.64981%0.812SS**  trans-105.3143.4-143.537-34000115.2
389H36Very low38Very low190 Ų190160.4 Ų160.488%0.8883%0.826SS**  trans-122.6115160.9-80.1-70.4000113
390Q33.7Very low37Very low195 Ų195154.8 Ų154.891%0.91182%0.815SS**  trans-26.8133.3178.2-53.7179.521.100117.7
391R33.3Very low36.1Very low233 Ų233158.1 Ų158.188%0.87983%0.828SS**  trans-112.4136.4163.2-169.2-179.6-168.2173.84.2108.8
392P37.6Very low35.6Very low120 Ų120154.1 Ų154.178%0.77981%0.812SS**PPolyproline II helixtrans-63.2137.8175.1-2233.5000112
393K38.5Very low35.2Very low201 Ų201155 Ų15587%0.87481%0.812SS**PPolyproline II helixtrans-76.3136.7176.4-67.3177.1178.1176.80111.1
394P36.3Very low34.7Very low124 Ų124154.5 Ų154.581%0.80581%0.814SS**PPolyproline II helixtrans-83.4132.9154.332.7-28.9000109.8
395T38.9Very low34.3Very low141 Ų141158.2 Ų158.287%0.86582%0.818SS**PPolyproline II helixtrans-86.7124.9173.745.30000111.1
396T34.3Very low35.5Very low123 Ų123155.2 Ų155.276%0.75581%0.809SS**PPolyproline II helixtrans-77.5146.3171.447.20000112.2
397F31.3Very low35Very low217 Ų217153.1 Ų153.195%0.95281%0.807SS**  trans-146.5140132.3-101-74.3000110.3
398K37Very low34.9Very low203 Ų203155.3 Ų155.388%0.88381%0.808SS**  trans-110134.1177.9-85.7-178.6171.6-178.80109.9
399S29.2Very low34.6Very low123 Ų123155.3 Ų155.386%0.8682%0.817SS**  trans-171.6141.2136.5-153.50000106.4
400G30.7Very low34.5Very low56 Ų56153.7 Ų153.758%0.57781%0.814SS**  cis123.983.112.100000109.9
401N30.4Very low34.4Very low167 Ų167149.1 Ų149.189%0.89380%0.803SS**  trans170.2160130.7-86.2-1.3000113.9
402S31.6Very low34.4Very low76 Ų76143.9 Ų143.953%0.53180%0.797SS.*  trans-78.4161.5179.641.90000114
403Y29.6Very low34.3Very low201 Ų201144.8 Ų144.879%0.78880%0.8SS**  162.3135110-82.5-65.1000113.2
404T31.9Very low34.2Very low132 Ų132141.2 Ų141.281%0.8180%0.795SS**  trans38.9131.7149.950.50000124.1
405K30.6Very low35.2Very low198 Ų198141.1 Ų141.186%0.86179%0.794SS**  trans-63.9-179.2155.5-64.1-179.9177177.90112.1
406P60.5Low34.9Very low113 Ų113138.6 Ų138.673%0.73479%0.788SS**  -134.5171.5-5238-22.7000113.2
407S30.3Very low35Very low114 Ų114137.8 Ų137.880%0.79779%0.787SS**  156.5139.6125.762.50000116.4
408R32.2Very low35.1Very low235 Ų235134.1 Ų134.189%0.88778%0.782SS**  trans41.6110.1134.6-170.3-179-179.5178.6-0.7120.7
409A32.3Very low35.2Very low100 Ų100129.3 Ų129.383%0.82678%0.781SS**  -162.4171123.900000112.4
410L34.3Very low35.4Very low156 Ų156128.2 Ų128.282%0.81778%0.779SS**  trans-87.2169.6-165.5-91.264.4000115.9
411S32Very low35.7Very low98 Ų98137.2 Ų137.269%0.68580%0.796SS**  trans98.2104.1136.1-82.50000121.5
412T32.5Very low36.1Very low123 Ų123138.2 Ų138.276%0.75580%0.795SS**  107.7137.8104.1-67.20000120.6
413V36Very low36.6Very low139 Ų139140.1 Ų140.184%0.84280%0.803SS**  trans67.3117.7176-1100000123.2
414V36.8Very low37.5Very low127 Ų127136.1 Ų136.177%0.7780%0.802SS**  trans-73175150.2153.90000109.1
415P56.2Low37.7Very low121 Ų121139.5 Ų139.579%0.78681%0.806SS**  cis-123.2-162.87.426.11.6000112.6
416A34Very low38.2Very low89 Ų89141.5 Ų141.574%0.73681%0.808SS**  cis-154.8153.315.100000114.9
417S35Very low37.4Very low106 Ų106142.2 Ų142.274%0.74181%0.812SS**  trans25.9128.6142.4-145.70000120.2
418T33.4Very low38Very low139 Ų139141.6 Ų141.685%0.85381%0.814SS**  -166.4156.577.828.50000112.6
419A39.1Very low38.6Very low102 Ų102135.7 Ų135.784%0.84381%0.809SS**  trans-106.2144.7-174.500000113.3
420A34.8Very low39.2Very low101 Ų101137 Ų13784%0.83581%0.809SS**  trans-131.6131.5164.100000109.9
421R36.9Very low40Very low244 Ų244141.2 Ų141.292%0.92181%0.814SS**  trans-86.5136.6-173.8-65.1179.8179.5-176.2-0.4111.4
422H38.3Very low40.7Very low188 Ų188148.7 Ų148.787%0.8783%0.827SS**  trans-83.4139172.2-121.9-87.4000111.5
423V42.2Very low41.6Very low116 Ų116154.7 Ų154.770%0.70384%0.836SS**  trans-109134.3169.3-176.60000108.8
424P47.5Very low42.4Very low118 Ų118158 Ų15877%0.76684%0.839SS**PPolyproline II helixtrans-85.6138.7178.632.2-33000112.9
425F37.1Very low43.1Very low203 Ų203164 Ų16489%0.8985%0.848SS**PPolyproline II helixtrans-71.1144.8175.6-86-104.2000112.7
426R41.1Very low43.3Very low240 Ų240168 Ų16891%0.90685%0.853SS**PPolyproline II helixtrans-90.1138.1166-78.2-174.1173.7-168.1-0.3111.2
427P42.8Very low44.3Very low127 Ų127172.6 Ų172.683%0.82586%0.859SS**PPolyproline II helixtrans-77.9148.8168.731.8-33.3000112
428A44.6Very low45.4Very low102 Ų102178.7 Ų178.784%0.84387%0.866SS**PPolyproline II helixtrans-81.9151.4-178.200000113.5
429S44Very low46.9Very low110 Ų110181.1 Ų181.177%0.76986%0.864SS**PPolyproline II helixtrans-76.8148-178.457.10000113.7
430P45.5Very low48.1Very low129 Ų129188 Ų18884%0.83887%0.868SS**PPolyproline II helixtrans-76.8131.9-175.929.3-34.3000113.2
431R49.2Very low49.8Very low244 Ų244188.7 Ų188.792%0.92186%0.857SS**PPolyproline II helixtrans-66.7130.7176.8-76.7177.6165.1172-5.4112.3R433R431-R433 PolarHBondContact O-N 2.92Å
432R48.1Very low51.6Low254 Ų254180.4 Ų180.496%0.95884%0.837SS**PPolyproline II helixtrans-58119.2171.3-81.5178.9162.2-177.1-5.1111.6
433R50.4Low53.1Low250 Ų250178.9 Ų178.994%0.94383%0.827SS**PPolyproline II helixtrans-78.8128.2168.8-77.8-177.5169.2-179-3.2110.9R431R431-R433 PolarHBondContact O-N 2.92Å
434K53.4Low54.4Low208 Ų208176.7 Ų176.790%0.90482%0.821SS**PPolyproline II helixtrans-64.8132.7173.9-76.5-176.4174.7-179.60111K436K434-K436 PolarHBondContact O-N 3.33Å
435R52.4Low55.7Low254 Ų254172.9 Ų172.996%0.95880%0.8SS**  trans-75.4114.7179.6-137.4177-170.9179.42.9109.4
436K59.2Low57.8Low203 Ų203168.3 Ų168.388%0.88378%0.782SS**  trans-71.9136.4171.7-74-173.4176.5-176.80110K434 R438K434-K436 PolarHBondContact O-N 3.33Å; K436-R438 PolarHBondContact O-N 3.21Å
437H55Low59.5Low187 Ų187164.7 Ų164.787%0.86677%0.769SS**  trans-74.1111.8-178.6-164.589.1000110.4K439H437-K439 PolarHBondContact O-N 2.98Å
438R59.2Low60.9Low234 Ų234161 Ų16188%0.88375%0.749SS**  trans-83.4109.3-179.6-165.1179.2-169-175.53.7109K436 R440K436-R438 PolarHBondContact O-N 3.21Å; R438-R440 PolarHBondContact O-N 3.43Å
439K64.5Low62Low189 Ų189162.3 Ų162.382%0.82274%0.739SS**PPolyproline II helixtrans-54.4127.1175.5-67.1-176.9177.2-176.90109.6H437H437-K439 PolarHBondContact O-N 2.98Å
440R63.9Low63.4Low246 Ų246162.5 Ų162.593%0.92873%0.73SS**PPolyproline II helixtrans-66.6130.7172.6-88.5-176.7166.9-171.3-3.4109.1R438R438-R440 PolarHBondContact O-N 3.43Å
441I70.6Confident64.5Low117 Ų117162.4 Ų162.460%0.672%0.721SS**PPolyproline II helixtrans-67.9138.4171.4-62.4166.6000108.1A445I441-A445 HydrophobicContact CG2-CB 3.74Å
442S75.6Confident65.1Low70 Ų70157.2 Ų157.249%0.4971%0.711SS.*PPolyproline II helixtrans-67.9150.3-178.276.40000111.6A444 A445 M446S442-A444 PolarHBondContact O-N 3.19Å; S442-A445 PolarHBondContact O-N 2.96Å; S442-A445 VanDerWaalsContact O-N 3.12Å; S442-A445 PolarHBondContact OG-N 3.26Å; S442-M446 PolarHBondContact O-N 2.86Å; S442-M446 VanDerWaalsContact O-N 3.11Å
443K68.9Low65.4Low156 Ų156152.2 Ų152.268%0.67870%0.702SS**Hα-helixtrans-62-27.7-179.8-159.9171.7-175.9177.40112.3R447K443-R447 WeakPolarHBondContact O-CG 3.3Å; K443-R447 PolarHBondContact O-N 3.42Å
444A70.3Confident65.3Low69 Ų69152.1 Ų152.157%0.5771%0.708SS**Hα-helixtrans-68.2-47.4172.700000112.2S442 M446 R447 A448S442-A444 PolarHBondContact O-N 3.19Å; A444-M446 VanDerWaalsContact C-N 3.28Å; A444-M446 PolarHBondContact O-N 3.16Å; A444-R447 PolarHBondContact O-N 2.71Å; A444-R447 VanDerWaalsContact O-N 3.09Å; A444-A448 PolarHBondContact O-N 3.4Å
445A74.6Confident65.9Low38 Ų38149.4 Ų149.431%0.31470%0.699SS.*Hα-helixtrans-62.5-35.6177.400000112.3I441 S442 A448 M449I441-A445 HydrophobicContact CG2-CB 3.74Å; S442-A445 PolarHBondContact O-N 2.96Å; S442-A445 VanDerWaalsContact O-N 3.12Å; S442-A445 PolarHBondContact OG-N 3.26Å; A445-A448 PolarHBondContact O-N 3.33Å; A445-M449 PolarHBondContact O-N 3.36Å; A445-M449 VanDerWaalsContact O-N 3.15Å
446M81.4Confident66.6Low107 Ų107143.8 Ų143.853%0.52769%0.685SS.*Hα-helixtrans-63-41172.5-121.5-170.9-60.300112.7S442 A444 I450S442-M446 PolarHBondContact O-N 2.86Å; S442-M446 VanDerWaalsContact O-N 3.11Å; A444-M446 VanDerWaalsContact C-N 3.28Å; A444-M446 PolarHBondContact O-N 3.16Å; M446-I450 WeakPolarHBondContact O-CG1 3.48Å; M446-I450 PolarHBondContact O-N 2.94Å
447R76.5Confident67Low165 Ų165140.6 Ų140.662%0.62367%0.674SS**Hα-helixtrans-68.1-40.9177-75176.2171.4-175.2-5.2112.2K443 A444 M449 I450 I451K443-R447 WeakPolarHBondContact O-CG 3.3Å; K443-R447 PolarHBondContact O-N 3.42Å; A444-R447 PolarHBondContact O-N 2.71Å; A444-R447 VanDerWaalsContact O-N 3.09Å; R447-M449 PolarHBondContact O-N 3.24Å; R447-I450 PolarHBondContact O-N 3.04Å; R447-I450 VanDerWaalsContact O-N 3.16Å; R447-I451 PolarHBondContact O-N 3.45Å
448A71.4Confident67.8Low49 Ų49137.8 Ų137.841%0.40566%0.663SS.*Hα-helixtrans-59.5-43.6176.200000112.1A444 A445 I450 I451 I452A444-A448 PolarHBondContact O-N 3.4Å; A445-A448 PolarHBondContact O-N 3.33Å; A448-I450 VanDerWaalsContact C-N 3.27Å; A448-I450 PolarHBondContact O-N 3.25Å; A448-I451 PolarHBondContact O-N 3.03Å; A448-I452 WeakPolarHBondContact O-CG1 3.35Å; A448-I452 PolarHBondContact O-N 3.3Å
449M68.8Low68.3Low130 Ų130131.8 Ų131.864%0.6465%0.649SS**Hα-helixtrans-64.3-27.6176.2-73-169.6177.400113.9A445 R447 L453A445-M449 PolarHBondContact O-N 3.36Å; A445-M449 VanDerWaalsContact O-N 3.15Å; R447-M449 PolarHBondContact O-N 3.24Å; M449-L453 WeakPolarHBondContact O-CD1 3.47Å; M449-L453 WeakPolarHBondContact O-CG 3.34Å
450I73.4Confident68.5Low113 Ų113128 Ų12858%0.57964%0.637SS**Hα-helixtrans-77.2-31.6177.2-67.1165.2000111.4M446 R447 A448 L453M446-I450 WeakPolarHBondContact O-CG1 3.48Å; M446-I450 PolarHBondContact O-N 2.94Å; R447-I450 PolarHBondContact O-N 3.04Å; R447-I450 VanDerWaalsContact O-N 3.16Å; A448-I450 VanDerWaalsContact C-N 3.27Å; A448-I450 PolarHBondContact O-N 3.25Å; I450-L453 PolarHBondContact O-N 3.03Å
451I66.9Low68.9Low127 Ų127119.6 Ų119.665%0.65162%0.617SS**Hα-helixtrans-73-32.5178.5-68.3161.5000111.6R447 A448 L453R447-I451 PolarHBondContact O-N 3.45Å; A448-I451 PolarHBondContact O-N 3.03Å; I451-L453 PolarHBondContact O-N 2.92Å
452I62Low68.7Low136 Ų136119.8 Ų119.870%0.69762%0.618SS**THydrogen-bonded Turntrans-73.9-6177.5-63.2164000112.5A448A448-I452 WeakPolarHBondContact O-CG1 3.35Å; A448-I452 PolarHBondContact O-N 3.3Å
453L55.9Low68.2Low148 Ų148123.9 Ų123.978%0.77563%0.629SS**THydrogen-bonded Turntrans-10817.3-179.4-66.8172.8000113.4M449 I450 I451M449-L453 WeakPolarHBondContact O-CD1 3.47Å; M449-L453 WeakPolarHBondContact O-CG 3.34Å; I450-L453 PolarHBondContact O-N 3.03Å; I451-L453 PolarHBondContact O-N 2.92Å
454K47.9Very low68.1Low249 Ų249121 Ų121100%1.08362%0.624SS**  trans-121.80166.7-78-170.2172.3-170.70109.5

Retrieved 454 of 454 residues in 453.5 ms (Link to these results)