A0A087Y660_POEFO Loading...

Regulator of complement activation group 2 gene 1

AlphaFold DB , UniProt , Accession A0A087Y660, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1M34.7Very low40.9Very low242 Ų242138.5 Ų138.5100%1.19281%0.811SS**  0138.50-62.4-172.2-55.500107.6
2S39.1Very low41.7Very low106 Ų106139 Ų13974%0.74181%0.807SS**  trans-13.4147.4167.5-147.90000116.3
3V36.4Very low42Very low124 Ų124136.8 Ų136.875%0.75280%0.802SS**  -164.5137.564.7175.40000111.4
4S40.9Very low42.3Very low100 Ų100137.6 Ų137.670%0.69980%0.8SS**  trans9.8137.1148-420000121.6
5A38.2Very low42.5Very low106 Ų106136.2 Ų136.288%0.87679%0.794SS**  trans-135.7130.2152.200000110.9
6L38.2Very low42.8Very low145 Ų145137 Ų13776%0.75979%0.792SS**  trans-76.7149-170.7-87.785.8000114
7F44.8Very low42.9Very low163 Ų163134.9 Ų134.972%0.71578%0.782SS**  trans27.9134.5142.1-70.7-87.9000120.8L9F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.16Å
8L37.8Very low43.3Very low176 Ų176132.6 Ų132.692%0.92178%0.781SS**  -151.6103.8122.2-93.3171.3000109.3S10L8-S10 PolarHBondContact O-N 2.97Å
9L45.2Very low43.9Very low147 Ų147134.7 Ų134.777%0.7778%0.783SS**  trans-70.6106.1164.8-85150.6000107.6F7 S11F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.16Å; L9-S11 PolarHBondContact O-N 3.09Å; L9-S11 VanDerWaalsContact O-N 3.09Å
10S45.1Very low44.6Very low103 Ų103130.3 Ų130.372%0.7277%0.768SS**  trans-76.594.4170.469.80000109.1L8 L12L8-S10 PolarHBondContact O-N 2.97Å; S10-L12 PolarHBondContact O-N 2.85Å
11S49.7Very low46.3Very low111 Ų111130.1 Ų130.178%0.77676%0.759SS**  trans-61.199.8161.2-79.70000108.8L9 C13L9-S11 PolarHBondContact O-N 3.09Å; L9-S11 VanDerWaalsContact O-N 3.09Å; S11-C13 PolarHBondContact O-N 3.3Å
12L50.5Low49Very low145 Ų145123.9 Ų123.976%0.75973%0.727SS**  trans-67.192.6157.2-98.986.9000107S10 L14S10-L12 PolarHBondContact O-N 2.85Å; L12-L14 PolarHBondContact O-N 2.88Å
13C45.1Very low51.6Low111 Ų111118.8 Ų118.875%0.7569%0.692SS**  trans-64.592.6155.2-76.10000107S11 V15S11-C13 PolarHBondContact O-N 3.3Å; C13-V15 PolarHBondContact O-N 2.93Å
14L46.3Very low54.3Low148 Ų148116.9 Ų116.978%0.77568%0.684SS**  trans-60.594.7157.4-86.5155.9000106.1L12 I16L12-L14 PolarHBondContact O-N 2.88Å; L14-I16 PolarHBondContact O-N 2.8Å
15V45.8Very low56.8Low116 Ų116116 Ų11670%0.70367%0.668SS**  trans-65.593161.6-179.20000104.6C13 T17C13-V15 PolarHBondContact O-N 2.93Å; V15-T17 HydrophobicContact CG1-CG2 4.07Å; V15-T17 PolarHBondContact O-N 2.99Å
16I47.3Very low59.4Low149 Ų149111.7 Ų111.776%0.76463%0.63SS**  trans-65.791.1162.5-55.7174.2000103.6L14 A18L14-I16 PolarHBondContact O-N 2.8Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.82Å
17T45.1Very low61.9Low102 Ų102111 Ų11163%0.62663%0.632SS**  trans-59103.6161.850.90000104.6V15 Q19V15-T17 HydrophobicContact CG1-CG2 4.07Å; V15-T17 PolarHBondContact O-N 2.99Å; T17-Q19 PolarHBondContact O-N 2.87Å
18A49Very low63.8Low92 Ų92104.5 Ų104.576%0.7661%0.611SS**  trans-5897.8163.600000105I16 G20I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.82Å; A18-G20 PolarHBondContact O-N 2.88Å
19Q55.2Low66.2Low173 Ų173103.8 Ų103.881%0.80860%0.596SS**  trans-61.797.6166.3-87.8170.6-26.700104.3T17 Q21T17-Q19 PolarHBondContact O-N 2.87Å; Q19-Q21 PolarHBondContact O-N 3.34Å
20G58.1Low68.3Low47 Ų47104.4 Ų104.449%0.48560%0.595SS.*  trans-50.8111.7175.300000106.9A18 Q22A18-G20 PolarHBondContact O-N 2.88Å; G20-Q22 PolarHBondContact O-N 3.13Å
21Q80.3Confident70.6Confident127 Ų127101.3 Ų101.359%0.59357%0.57SS**  trans-64.6109.9-176.6-81.7169.7-37.700107.2Q19 A71 G72Q19-Q21 PolarHBondContact O-N 3.34Å; Q21-A71 VanDerWaalsContact CB-C 3.46Å; Q21-A71 PolarHBondContact OE1-O 2.7Å; Q21-G72 WeakPolarHBondContact O-CA 3.37Å; Q21-G72 PolarHBondContact O-N 2.91Å
22Q91.5Very high72.7Confident110 Ų11096.7 Ų96.751%0.51454%0.537SS..PPolyproline II helixtrans-75.3143.7179.3-67.3-177.5-21.600109.8G20 F44G20-Q22 PolarHBondContact O-N 3.13Å; Q22-F44 CarbonylContact C-O 3.52Å; Q22-F44 VanDerWaalsContact CA-O 3.27Å; Q22-F44 WeakPolarHBondContact CA-O 3.09Å; Q22-F44 WeakPolarHBondContact CB-O 3.37Å
23C92.4Very high74.8Confident0 Ų093.8 Ų93.80%052%0.519CS..EExtended strand (participates in β ladder)trans-86.7143.2173-64.40000110.9T43 F44 C69 W74C23-T43 CarbonylContact O-C 3.45Å; C23-T43 WeakPolarHBondContact O-CA 3.43Å; C23-F44 HydrophobicContact CB-CB 4.48Å; C23-F44 PolarHBondContact N-O 3.04Å; C23-F44 PolarHBondContact O-N 3.48Å; C23-C69 HydrophobicContact CB-CB 3.85Å; C23-C69 WeakPolarHBondContact CB-SG 3.42Å; C23-C69 PolarHBondContact N-SG 2.84Å; C23-C69 WeakPolarHBondContact SG-CA 3.45Å; C23-C69 WeakPolarHBondContact SG-CB 3.34Å; C23-C69 CovalentContact SG-SG 2.03Å; C23-C69 PolarHBondContact SG-SG 3.35Å; C23-W74 HydrophobicContact CB-CD2 4.12Å; C23-W74 HydrophobicContact CB-CH2 4.32Å; C23-W74 HydrophobicContact CB-CZ2 3.51Å
24S94.1Very high77.2Confident84 Ų8489.1 Ų89.159%0.58749%0.487SS*.EExtended strand (participates in β ladder)trans-74.9163.2168.756.90000111.2P26 W74S24-P26 WeakPolarHBondContact O-CD 3.37Å; S24-P26 VanDerWaalsContact O-N 3.15Å; S24-W74 PolarHBondContact O-NE1 3.08Å
25K94.2Very high79.4Confident82 Ų8286 Ų8636%0.35747%0.467SS..PPolyproline II helixtrans-54.3119.2175.5-173.9-176.5-179.8-179.60111.1L34 I39 K41 K42 F44K25-L34 HydrophobicContact CG-CD2 4.12Å; K25-I39 PolarHBondContact NZ-O 2.98Å; K25-K41 WeakPolarHBondContact CD-O 3.27Å; K25-K42 PolarHBondContact N-O 2.9Å; K25-F44 HydrophobicContact CB-CE2 4.18Å; K25-F44 HydrophobicContact CG-CE2 4.39Å
26P92.7Very high81.6Confident14 Ų1486.1 Ų86.19%0.09146%0.464CS..PPolyproline II helixtrans-71.9150179.326.9-28.4000110.6S24 L34 V50 F52 I67 W74S24-P26 WeakPolarHBondContact O-CD 3.37Å; S24-P26 VanDerWaalsContact O-N 3.15Å; P26-L34 HydrophobicContact CG-CD1 4.24Å; P26-V50 HydrophobicContact CG-CG2 3.71Å; P26-F52 HydrophobicContact CB-CE2 4.29Å; P26-F52 HydrophobicContact CB-CZ 4.01Å; P26-F52 HydrophobicContact CG-CE2 4.27Å; P26-F52 HydrophobicContact CG-CZ 4.12Å; P26-I67 HydrophobicContact CB-CD1 3.75Å; P26-I67 HydrophobicContact CG-CD1 3.89Å; P26-W74 HydrophobicContact CB-CD2 4.37Å; P26-W74 HydrophobicContact CB-CG 4.25Å; P26-W74 HydrophobicContact CG-CD2 4.32Å; P26-W74 HydrophobicContact CG-CZ2 4.02Å
27V89.2Confident83.8Confident131 Ų13184.5 Ų84.579%0.79445%0.453SS*.  trans-105.5135.8178.1-173.60000108.5
28G85.5Confident86Confident27 Ų2781.5 Ų81.528%0.27843%0.43SS..  trans-72.1176.8176.900000112.6
29R87.6Confident87.7Confident161 Ų16180.3 Ų80.361%0.60841%0.411SS*.  trans-105.2-161.9170.7-60.5-177-176.8173.94.6109.9M32 L77R29-M32 HydrophobicContact CB-CE 3.95Å; R29-M32 HydrophobicContact CB-SD 4Å; R29-M32 PolarHBondContact N-SD 3.21Å; R29-L77 VanDerWaalsContact CZ-O 3.31Å; R29-L77 PolarHBondContact NH1-O 3.35Å; R29-L77 PolarHBondContact NH2-O 2.8Å; R29-L77 VanDerWaalsContact NH2-O 3.17Å
30Q89.7Confident89.4Confident160 Ų16079.3 Ų79.375%0.74841%0.411SS*.THydrogen-bonded Turntrans-64137.3179.4-157.2171.40.800111.2M32Q30-M32 VanDerWaalsContact C-N 3.29Å; Q30-M32 PolarHBondContact O-N 3.09Å
31N93.1Very high91.1Very high37 Ų3782.2 Ų82.220%0.19841%0.41CS..THydrogen-bonded Turntrans61.828.5175.3-41.9-45.4000115C54 D55 Y58 C81N31-C54 WeakPolarHBondContact O-CA 3.34Å; N31-D55 WeakPolarHBondContact CA-OD2 3.05Å; N31-D55 PolarHBondContact O-N 2.89Å; N31-Y58 HydrophobicContact CB-CD1 3.39Å; N31-Y58 HydrophobicContact CB-CD2 3.98Å; N31-Y58 HydrophobicContact CB-CE1 3.54Å; N31-Y58 HydrophobicContact CB-CE2 4.11Å; N31-Y58 HydrophobicContact CB-CG 3.64Å; N31-Y58 WeakPolarHBondContact ND2-CE1 3.12Å; N31-Y58 WeakPolarHBondContact OD1-CE1 3.27Å; N31-Y58 VanDerWaalsContact OD1-CZ 3.25Å; N31-Y58 PolarHBondContact OD1-OH 3.05Å; N31-C81 HydrophobicContact CB-CB 4.1Å; N31-C81 VanDerWaalsContact O-CB 3.26Å; N31-C81 WeakPolarHBondContact O-CB 3.43Å
32M94.4Very high91.7Very high14 Ų1484.7 Ų84.77%0.06942%0.419CS..EExtended strand (participates in β ladder)trans-146.5151175.771.2-174.665.800112.1R29 Q30 F52 V53 D55 L77 L79R29-M32 HydrophobicContact CB-CE 3.95Å; R29-M32 HydrophobicContact CB-SD 4Å; R29-M32 PolarHBondContact N-SD 3.21Å; Q30-M32 VanDerWaalsContact C-N 3.29Å; Q30-M32 PolarHBondContact O-N 3.09Å; M32-F52 HydrophobicContact CG-CD1 4.3Å; M32-F52 HydrophobicContact SD-CB 4.47Å; M32-F52 HydrophobicContact SD-CD1 4.4Å; M32-V53 CarbonylContact C-O 3.54Å; M32-V53 VanDerWaalsContact CA-O 3.27Å; M32-V53 WeakPolarHBondContact CA-O 3.39Å; M32-V53 WeakPolarHBondContact CB-O 3.5Å; M32-D55 PolarHBondContact N-OD2 2.9Å; M32-L77 HydrophobicContact SD-CD2 3.64Å; M32-L77 HydrophobicContact SD-CG 4.39Å; M32-L79 HydrophobicContact CB-CD2 4.43Å; M32-L79 HydrophobicContact CE-CB 4.34Å; M32-L79 HydrophobicContact CE-CD2 4.41Å; M32-L79 HydrophobicContact CE-CG 4.27Å; M32-L79 VanDerWaalsContact CE-O 3.24Å; M32-L79 WeakPolarHBondContact CE-O 3.27Å; M32-L79 HydrophobicContact SD-CD2 4.28Å
33Q94.5Very high91.7Very high84 Ų8483.4 Ų83.439%0.39342%0.418SS..EExtended strand (participates in β ladder)trans-133.2152.5178.359-176.8-5.400111.2F52 V53 D55Q33-F52 WeakPolarHBondContact O-CA 3.45Å; Q33-V53 HydrophobicContact CG-CG2 3.88Å; Q33-V53 PolarHBondContact N-O 3.34Å; Q33-V53 PolarHBondContact O-N 3.23Å; Q33-D55 WeakPolarHBondContact CG-OD1 3.47Å; Q33-D55 PolarHBondContact N-OD1 2.91Å
34L94.6Very high91.8Very high13 Ų1383.9 Ų83.97%0.06842%0.421CS..EExtended strand (participates in β ladder)trans-67.5135.9173-171.169.9000108.5K25 P26 D36 Y38 V50 F52K25-L34 HydrophobicContact CG-CD2 4.12Å; P26-L34 HydrophobicContact CG-CD1 4.24Å; L34-D36 PolarHBondContact O-N 2.91Å; L34-Y38 HydrophobicContact CD1-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CG 4.48Å; L34-V50 HydrophobicContact CD1-CB 4.05Å; L34-V50 HydrophobicContact CD1-CG2 3.92Å; L34-F52 HydrophobicContact CB-CD1 4.37Å; L34-F52 HydrophobicContact CB-CE1 4Å; L34-F52 HydrophobicContact CD1-CD1 4.44Å; L34-F52 HydrophobicContact CD1-CD2 4.35Å; L34-F52 HydrophobicContact CD1-CE1 4.04Å; L34-F52 HydrophobicContact CD1-CE2 3.96Å; L34-F52 HydrophobicContact CD1-CZ 3.81Å
35K93.9Very high91.8Very high83 Ų8386.4 Ų86.436%0.36142%0.423SS..  trans-51.7143.5177.9-77.9-168.7-177178.70111.7E37 Y38 A51 V53K35-E37 HydrophobicContact CB-CG 4.02Å; K35-E37 PolarHBondContact O-N 2.88Å; K35-Y38 HydrophobicContact CB-CD2 3.91Å; K35-Y38 HydrophobicContact CB-CE2 4.01Å; K35-Y38 PolarHBondContact O-N 2.72Å; K35-A51 HydrophobicContact CD-CB 3.88Å; K35-A51 HydrophobicContact CG-CB 4.21Å; K35-A51 WeakPolarHBondContact CG-O 3.36Å; K35-A51 PolarHBondContact N-O 2.78Å; K35-V53 HydrophobicContact CD-CG1 4.18Å; K35-V53 HydrophobicContact CG-CG1 3.56Å; K35-V53 HydrophobicContact CG-CG2 4.3Å
36D91.5Very high91.7Very high119 Ų11986.7 Ų86.764%0.63643%0.429SS*.G310 helixtrans-52.1-35.3-174.3-61.2-17.9000113.5L34 Y38 I39L34-D36 PolarHBondContact O-N 2.91Å; D36-Y38 PolarHBondContact O-N 3.34Å; D36-Y38 VanDerWaalsContact O-N 3.08Å; D36-I39 HydrophobicContact CB-CD1 4.36Å; D36-I39 PolarHBondContact O-N 2.72Å; D36-I39 VanDerWaalsContact O-N 3.13Å; D36-I39 WeakPolarHBondContact OD1-CD1 3.34Å
37E92.9Very high91.7Very high115 Ų11587.2 Ų87.254%0.53744%0.437SS..G310 helixtrans-59.1-19.2177.766.8-170.2175.800114.6K35K35-E37 HydrophobicContact CB-CG 4.02Å; K35-E37 PolarHBondContact O-N 2.88Å
38Y91.6Very high91.9Very high39 Ų3982.8 Ų82.815%0.15341%0.411CS..G310 helixtrans-111-5.6179.3-48.6-64000113.6L34 K35 D36 N40 K41 F44 V50L34-Y38 HydrophobicContact CD1-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CG 4.48Å; K35-Y38 HydrophobicContact CB-CD2 3.91Å; K35-Y38 HydrophobicContact CB-CE2 4.01Å; K35-Y38 PolarHBondContact O-N 2.72Å; D36-Y38 PolarHBondContact O-N 3.34Å; D36-Y38 VanDerWaalsContact O-N 3.08Å; Y38-N40 VanDerWaalsContact C-N 3.26Å; Y38-N40 PolarHBondContact O-N 3.03Å; Y38-K41 HydrophobicContact CD1-CD 4.46Å; Y38-K41 PolarHBondContact O-N 2.85Å; Y38-K41 VanDerWaalsContact O-N 3.09Å; Y38-F44 AromaticContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CG-CE1 4.35Å; Y38-V50 HydrophobicContact CD1-CB 4.47Å; Y38-V50 HydrophobicContact CD1-CG1 3.89Å; Y38-V50 HydrophobicContact CD2-CB 3.97Å; Y38-V50 HydrophobicContact CD2-CG1 4.25Å; Y38-V50 HydrophobicContact CE1-CG1 4.08Å; Y38-V50 HydrophobicContact CE2-CB 4.05Å; Y38-V50 HydrophobicContact CE2-CG1 4.45Å; Y38-V50 HydrophobicContact CG-CB 4.21Å; Y38-V50 HydrophobicContact CG-CG1 3.99Å
39I85.7Confident92.4Very high67 Ų6785 Ų8534%0.34442%0.419SS..THydrogen-bonded Turntrans-60.1-36-171.9-73.6-179.9000112.2K25 D36K25-I39 PolarHBondContact NZ-O 2.98Å; D36-I39 HydrophobicContact CB-CD1 4.36Å; D36-I39 PolarHBondContact O-N 2.72Å; D36-I39 VanDerWaalsContact O-N 3.13Å; D36-I39 WeakPolarHBondContact OD1-CD1 3.34Å
40N90.9Very high92.7Very high152 Ų15277.3 Ų77.381%0.81339%0.391SS*.THydrogen-bonded Turntrans-88-6.7-177.4-63.5-35.7000113.7Y38Y38-N40 VanDerWaalsContact C-N 3.26Å; Y38-N40 PolarHBondContact O-N 3.03Å
41K92.5Very high93Very high107 Ų10770.1 Ų70.147%0.46536%0.358SS..  trans-83.8133.5179.5-65-173.3-178-177.70110.5K25 Y38 F44K25-K41 WeakPolarHBondContact CD-O 3.27Å; Y38-K41 HydrophobicContact CD1-CD 4.46Å; Y38-K41 PolarHBondContact O-N 2.85Å; Y38-K41 VanDerWaalsContact O-N 3.09Å; K41-F44 HydrophobicContact CB-CE1 4.01Å; K41-F44 HydrophobicContact CB-CE2 4.06Å; K41-F44 HydrophobicContact CB-CZ 3.54Å; K41-F44 HydrophobicContact CD-CE1 3.83Å; K41-F44 HydrophobicContact CD-CZ 4.24Å; K41-F44 HydrophobicContact CG-CZ 4.5Å
42K92.4Very high93.1Very high179 Ų17968.6 Ų68.678%0.77835%0.35SS*.  trans-97.4-30.9178.5-65.4-174179.3-178.80113K25K25-K42 PolarHBondContact N-O 2.9Å
43T93.1Very high93.1Very high83 Ų8370.3 Ų70.351%0.50936%0.361SS..EExtended strand (participates in β ladder)trans-136.6154.5-177.653.60000111.1C23C23-T43 CarbonylContact O-C 3.45Å; C23-T43 WeakPolarHBondContact O-CA 3.43Å
44F93.9Very high93.1Very high11 Ų1167.4 Ų67.45%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-135.8135.4-175.1-62.8-97.4000109.9Q22 C23 K25 Y38 K41 V50 W74Q22-F44 CarbonylContact C-O 3.52Å; Q22-F44 VanDerWaalsContact CA-O 3.27Å; Q22-F44 WeakPolarHBondContact CA-O 3.09Å; Q22-F44 WeakPolarHBondContact CB-O 3.37Å; C23-F44 HydrophobicContact CB-CB 4.48Å; C23-F44 PolarHBondContact N-O 3.04Å; C23-F44 PolarHBondContact O-N 3.48Å; K25-F44 HydrophobicContact CB-CE2 4.18Å; K25-F44 HydrophobicContact CG-CE2 4.39Å; Y38-F44 AromaticContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CG-CE1 4.35Å; K41-F44 HydrophobicContact CB-CE1 4.01Å; K41-F44 HydrophobicContact CB-CE2 4.06Å; K41-F44 HydrophobicContact CB-CZ 3.54Å; K41-F44 HydrophobicContact CD-CE1 3.83Å; K41-F44 HydrophobicContact CD-CZ 4.24Å; K41-F44 HydrophobicContact CG-CZ 4.5Å; F44-V50 HydrophobicContact CD1-CG1 3.6Å; F44-V50 HydrophobicContact CE1-CG1 3.33Å; F44-V50 HydrophobicContact CG-CG1 4.46Å; F44-V50 HydrophobicContact CZ-CG1 4.05Å; F44-W74 HydrophobicContact CB-CH2 3.8Å; F44-W74 HydrophobicContact CB-CZ2 3.77Å; F44-W74 HydrophobicContact CD1-CH2 4.19Å; F44-W74 HydrophobicContact CD1-CZ2 4.43Å; F44-W74 HydrophobicContact CD2-CH2 4.33Å; F44-W74 AromaticContact CD2-CZ2 3.76Å; F44-W74 HydrophobicContact CD2-CZ2 3.76Å; F44-W74 AromaticContact CG-CH2 3.84Å; F44-W74 HydrophobicContact CG-CH2 3.84Å; F44-W74 AromaticContact CG-CZ2 3.72Å; F44-W74 HydrophobicContact CG-CZ2 3.72Å
45E94Very high93.1Very high136 Ų13669.1 Ų69.164%0.63636%0.359SS*.  trans-70.6154.9179.1-65-177.8174.800111.6G47 S48E45-G47 PolarHBondContact O-N 2.86Å; E45-S48 PolarHBondContact N-OG 3.49Å; E45-S48 WeakPolarHBondContact O-CB 3.01Å; E45-S48 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-OG 2.03Å
46D92.9Very high93Very high89 Ų8970.3 Ų70.348%0.47637%0.373SS..THydrogen-bonded Turntrans-55.9139.5175.1-175.250.2000111.3S48 N70 A71D46-S48 PolarHBondContact O-N 2.96Å; D46-N70 WeakPolarHBondContact OD1-CA 3.41Å; D46-A71 PolarHBondContact OD1-N 3.4Å
47G91.8Very high93.1Very high25 Ų2565 Ų6526%0.25835%0.346SS..THydrogen-bonded Turntrans80.2-9.4-174.100000115.3E45 R68 C69E45-G47 PolarHBondContact O-N 2.86Å; G47-R68 PolarHBondContact O-NE 2.88Å; G47-C69 WeakPolarHBondContact CA-O 3.03Å; G47-C69 PolarHBondContact N-O 3.33Å
48S94.1Very high93.2Very high38 Ų3862.4 Ų62.427%0.26633%0.332SS..  trans-60.9143.8175.2-62.70000111.7E45 D46 R68 C69E45-S48 PolarHBondContact N-OG 3.49Å; E45-S48 WeakPolarHBondContact O-CB 3.01Å; E45-S48 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-OG 2.03Å; D46-S48 PolarHBondContact O-N 2.96Å; S48-R68 WeakPolarHBondContact O-CA 3.48Å; S48-C69 PolarHBondContact O-N 2.91Å
49T94.9Very high93.2Very high72 Ų7263.5 Ų63.544%0.44234%0.343SS..EExtended strand (participates in β ladder)trans-111.4145.8170.2550000110.6V66 I67 R68T49-V66 HydrophobicContact CG2-CG1 4.36Å; T49-I67 VanDerWaalsContact CA-O 3.27Å; T49-I67 WeakPolarHBondContact CA-O 3.35Å; T49-R68 HydrophobicContact CG2-CB 4.06Å; T49-R68 HydrophobicContact CG2-CG 3.95Å
50V95Very high93.6Very high1 Ų164.3 Ų64.31%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-133.3156.2169.8-57.90000109.6P26 L34 Y38 F44 V66 I67 W74P26-V50 HydrophobicContact CG-CG2 3.71Å; L34-V50 HydrophobicContact CD1-CB 4.05Å; L34-V50 HydrophobicContact CD1-CG2 3.92Å; Y38-V50 HydrophobicContact CD1-CB 4.47Å; Y38-V50 HydrophobicContact CD1-CG1 3.89Å; Y38-V50 HydrophobicContact CD2-CB 3.97Å; Y38-V50 HydrophobicContact CD2-CG1 4.25Å; Y38-V50 HydrophobicContact CE1-CG1 4.08Å; Y38-V50 HydrophobicContact CE2-CB 4.05Å; Y38-V50 HydrophobicContact CE2-CG1 4.45Å; Y38-V50 HydrophobicContact CG-CB 4.21Å; Y38-V50 HydrophobicContact CG-CG1 3.99Å; F44-V50 HydrophobicContact CD1-CG1 3.6Å; F44-V50 HydrophobicContact CE1-CG1 3.33Å; F44-V50 HydrophobicContact CG-CG1 4.46Å; F44-V50 HydrophobicContact CZ-CG1 4.05Å; V50-V66 WeakPolarHBondContact O-CA 3.43Å; V50-I67 HydrophobicContact CG2-CD1 3.9Å; V50-I67 HydrophobicContact CG2-CG1 3.5Å; V50-I67 PolarHBondContact N-O 3.49Å; V50-I67 PolarHBondContact O-N 2.74Å; V50-W74 HydrophobicContact CG1-CH2 3.83Å; V50-W74 HydrophobicContact CG1-CZ3 4.35Å; V50-W74 HydrophobicContact CG2-CE3 4.42Å; V50-W74 HydrophobicContact CG2-CH2 3.94Å; V50-W74 HydrophobicContact CG2-CZ2 4.48Å; V50-W74 HydrophobicContact CG2-CZ3 3.89Å
51A94.9Very high93.5Very high8 Ų861 Ų617%0.06634%0.338CS..EExtended strand (participates in β ladder)trans-120.6138.6-178.700000111.3K35 G65 V66K35-A51 HydrophobicContact CD-CB 3.88Å; K35-A51 HydrophobicContact CG-CB 4.21Å; K35-A51 WeakPolarHBondContact CG-O 3.36Å; K35-A51 PolarHBondContact N-O 2.78Å; A51-G65 WeakPolarHBondContact CA-O 3.4Å; A51-V66 HydrophobicContact CB-CG2 4.12Å
52F94.9Very high93.2Very high5 Ų560.8 Ų60.82%0.02234%0.338CS..EExtended strand (participates in β ladder)trans-93.7149.4165-73-90.7000110.3P26 M32 Q33 L34 G65 I67 L77 L79P26-F52 HydrophobicContact CB-CE2 4.29Å; P26-F52 HydrophobicContact CB-CZ 4.01Å; P26-F52 HydrophobicContact CG-CE2 4.27Å; P26-F52 HydrophobicContact CG-CZ 4.12Å; M32-F52 HydrophobicContact CG-CD1 4.3Å; M32-F52 HydrophobicContact SD-CB 4.47Å; M32-F52 HydrophobicContact SD-CD1 4.4Å; Q33-F52 WeakPolarHBondContact O-CA 3.45Å; L34-F52 HydrophobicContact CB-CD1 4.37Å; L34-F52 HydrophobicContact CB-CE1 4Å; L34-F52 HydrophobicContact CD1-CD1 4.44Å; L34-F52 HydrophobicContact CD1-CD2 4.35Å; L34-F52 HydrophobicContact CD1-CE1 4.04Å; L34-F52 HydrophobicContact CD1-CE2 3.96Å; L34-F52 HydrophobicContact CD1-CZ 3.81Å; F52-G65 PolarHBondContact N-O 2.87Å; F52-I67 HydrophobicContact CD2-CD1 4.49Å; F52-I67 HydrophobicContact CE2-CD1 3.69Å; F52-I67 HydrophobicContact CE2-CG1 4.21Å; F52-L77 HydrophobicContact CB-CD1 4.37Å; F52-L77 HydrophobicContact CD1-CD2 4.38Å; F52-L77 HydrophobicContact CD2-CD1 3.65Å; F52-L77 HydrophobicContact CD2-CD2 3.79Å; F52-L77 HydrophobicContact CD2-CG 4.38Å; F52-L77 HydrophobicContact CE1-CD2 4.48Å; F52-L77 HydrophobicContact CE2-CD1 4.29Å; F52-L77 HydrophobicContact CE2-CD2 3.88Å; F52-L77 HydrophobicContact CG-CD1 4.18Å; F52-L77 HydrophobicContact CG-CD2 4.05Å; F52-L77 HydrophobicContact CZ-CD2 4.22Å; F52-L79 HydrophobicContact CB-CD2 3.77Å
53V94.3Very high93Very high50 Ų5056.1 Ų56.130%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-126.2148.6171.7-69.10000108.9M32 Q33 K35M32-V53 CarbonylContact C-O 3.54Å; M32-V53 VanDerWaalsContact CA-O 3.27Å; M32-V53 WeakPolarHBondContact CA-O 3.39Å; M32-V53 WeakPolarHBondContact CB-O 3.5Å; Q33-V53 HydrophobicContact CG-CG2 3.88Å; Q33-V53 PolarHBondContact N-O 3.34Å; Q33-V53 PolarHBondContact O-N 3.23Å; K35-V53 HydrophobicContact CD-CG1 4.18Å; K35-V53 HydrophobicContact CG-CG1 3.56Å; K35-V53 HydrophobicContact CG-CG2 4.3Å
54C94.7Very high92.7Very high23 Ų2356.2 Ų56.216%0.15533%0.325CS..EExtended strand (participates in β ladder)trans-67.5149.4175.2-600000111N31 Y58 T59 P60 C81N31-C54 WeakPolarHBondContact O-CA 3.34Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; C54-T59 VanDerWaalsContact SG-C 3.59Å; C54-P60 VanDerWaalsContact SG-N 3.43Å; C54-C81 WeakPolarHBondContact CA-SG 3.45Å; C54-C81 HydrophobicContact CB-CB 3.72Å; C54-C81 WeakPolarHBondContact CB-SG 3.5Å; C54-C81 WeakPolarHBondContact SG-CB 3.44Å; C54-C81 CovalentContact SG-SG 2.04Å; C54-C81 PolarHBondContact SG-SG 2.85Å
55D94.6Very high92.5Very high50 Ų5055.7 Ų55.727%0.26732%0.324SS..PPolyproline II helixtrans-65.4162174.9-68.1-20.1000110.8N31 M32 Q33 G57 Y58N31-D55 WeakPolarHBondContact CA-OD2 3.05Å; N31-D55 PolarHBondContact O-N 2.89Å; M32-D55 PolarHBondContact N-OD2 2.9Å; Q33-D55 WeakPolarHBondContact CG-OD1 3.47Å; Q33-D55 PolarHBondContact N-OD1 2.91Å; D55-G57 PolarHBondContact O-N 2.88Å; D55-Y58 HydrophobicContact CB-CD2 4.13Å; D55-Y58 WeakPolarHBondContact O-CB 3.38Å; D55-Y58 PolarHBondContact O-N 3.01Å
56V93Very high92.6Very high108 Ų10852.4 Ų52.466%0.65531%0.313SS*.THydrogen-bonded Turntrans-55.8125.5179.4177.40000110.4T129V56-T129 HydrophobicContact CG1-CG2 3.31Å
57G93.7Very high92.7Very high6 Ų648.4 Ų48.46%0.06229%0.291CS..THydrogen-bonded Turntrans90.81.3-176.800000114.5D55 S84 F105D55-G57 PolarHBondContact O-N 2.88Å; G57-S84 WeakPolarHBondContact O-CB 3.39Å; G57-S84 PolarHBondContact O-N 2.86Å; G57-S84 PolarHBondContact O-OG 3.34Å; G57-F105 WeakPolarHBondContact O-CB 3.42Å
58Y94.5Very high92.8Very high61 Ų6153.5 Ų53.524%0.23930%0.303CS..EExtended strand (participates in β ladder)trans-116.9148.2175.8-63.9-101.6000112N31 C54 D55 E82 R83N31-Y58 HydrophobicContact CB-CD1 3.39Å; N31-Y58 HydrophobicContact CB-CD2 3.98Å; N31-Y58 HydrophobicContact CB-CE1 3.54Å; N31-Y58 HydrophobicContact CB-CE2 4.11Å; N31-Y58 HydrophobicContact CB-CG 3.64Å; N31-Y58 WeakPolarHBondContact ND2-CE1 3.12Å; N31-Y58 WeakPolarHBondContact OD1-CE1 3.27Å; N31-Y58 VanDerWaalsContact OD1-CZ 3.25Å; N31-Y58 PolarHBondContact OD1-OH 3.05Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; D55-Y58 HydrophobicContact CB-CD2 4.13Å; D55-Y58 WeakPolarHBondContact O-CB 3.38Å; D55-Y58 PolarHBondContact O-N 3.01Å; Y58-E82 CarbonylContact C-O 3.45Å; Y58-E82 WeakPolarHBondContact CA-O 3.38Å; Y58-E82 WeakPolarHBondContact CB-O 3.46Å; Y58-E82 VanDerWaalsContact CD1-C 3.42Å; Y58-R83 HydrophobicContact CD1-CG 4.17Å; Y58-R83 HydrophobicContact CE1-CB 4.47Å; Y58-R83 HydrophobicContact CE1-CG 3.57Å
59T92.2Very high92.9Very high63 Ų6351.7 Ų51.739%0.38729%0.29SS..EExtended strand (participates in β ladder)trans-123.7145.4-179.948.30000111.4C54 V61 E82C54-T59 VanDerWaalsContact SG-C 3.59Å; T59-V61 PolarHBondContact O-N 3.21Å; T59-E82 PolarHBondContact N-O 3.3Å; T59-E82 PolarHBondContact O-N 3.5Å; T59-E82 VanDerWaalsContact O-N 3.09Å
60P92.9Very high92.8Very high83 Ų8352.2 Ų52.254%0.53929%0.29SS..EExtended strand (participates in β ladder)trans-71.5124.8178.429.9-34.4000110.3C54 L79C54-P60 VanDerWaalsContact SG-N 3.43Å; P60-L79 HydrophobicContact CB-CD1 3.74Å
61V89.6Confident92.6Very high84 Ų8454.7 Ų54.751%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-97.7-26.9177.5-175.70000111.2T59 I80 E82T59-V61 PolarHBondContact O-N 3.21Å; V61-I80 PolarHBondContact N-O 2.93Å; V61-E82 HydrophobicContact CG2-CB 3.67Å; V61-E82 HydrophobicContact CG2-CG 3.6Å
62Q86.8Confident92.4Very high102 Ų10255.7 Ų55.748%0.47732%0.322SS..EExtended strand (participates in β ladder)trans-147.5141.7-178.8-173.6174.25.600111.2L79 I80Q62-L79 WeakPolarHBondContact O-CA 3.44Å; Q62-L79 WeakPolarHBondContact O-CD1 3.05Å; Q62-I80 PolarHBondContact O-N 2.82Å
63D88.1Confident92.3Very high81 Ų8161.5 Ų61.543%0.43335%0.352SS..SBendtrans64.4162178.5-154.4-68.9000114.5G65 Q78D63-G65 VanDerWaalsContact C-N 3.33Å; D63-G65 PolarHBondContact OD1-N 3.21Å; D63-Q78 HydrophobicContact CB-CB 4.32Å
64S85.1Confident92.3Very high84 Ų8461.2 Ų61.259%0.58735%0.345SS*.  trans-79.9-13.6172.664.90000113.5V66S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.91Å; S64-V66 WeakPolarHBondContact OG-CG2 3.45Å
65G91.3Very high92.3Very high1 Ų161.8 Ų61.81%0.0135%0.349CS..  trans73.420.5-177.100000114.4A51 F52 D63A51-G65 WeakPolarHBondContact CA-O 3.4Å; F52-G65 PolarHBondContact N-O 2.87Å; D63-G65 VanDerWaalsContact C-N 3.33Å; D63-G65 PolarHBondContact OD1-N 3.21Å
66V94.8Very high92.2Very high67 Ų6764.4 Ų64.441%0.40637%0.369SS..EExtended strand (participates in β ladder)trans-90.4124.7176.2-178.70000109.5T49 V50 A51 S64T49-V66 HydrophobicContact CG2-CG1 4.36Å; V50-V66 WeakPolarHBondContact O-CA 3.43Å; A51-V66 HydrophobicContact CB-CG2 4.12Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.91Å; S64-V66 WeakPolarHBondContact OG-CG2 3.45Å
67I94.8Very high92.2Very high5 Ų560 Ų603%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-118.4150.917459.8169.8000110.6P26 T49 V50 F52 W74 S75 L77P26-I67 HydrophobicContact CB-CD1 3.75Å; P26-I67 HydrophobicContact CG-CD1 3.89Å; T49-I67 VanDerWaalsContact CA-O 3.27Å; T49-I67 WeakPolarHBondContact CA-O 3.35Å; V50-I67 HydrophobicContact CG2-CD1 3.9Å; V50-I67 HydrophobicContact CG2-CG1 3.5Å; V50-I67 PolarHBondContact N-O 3.49Å; V50-I67 PolarHBondContact O-N 2.74Å; F52-I67 HydrophobicContact CD2-CD1 4.49Å; F52-I67 HydrophobicContact CE2-CD1 3.69Å; F52-I67 HydrophobicContact CE2-CG1 4.21Å; I67-W74 HydrophobicContact CB-CE3 4.29Å; I67-W74 HydrophobicContact CD1-CB 4.01Å; I67-W74 HydrophobicContact CD1-CD2 3.79Å; I67-W74 HydrophobicContact CD1-CE3 3.73Å; I67-W74 HydrophobicContact CD1-CG 3.91Å; I67-W74 HydrophobicContact CG1-CD2 4.34Å; I67-W74 HydrophobicContact CG1-CE3 3.76Å; I67-W74 HydrophobicContact CG1-CZ3 4.26Å; I67-S75 VanDerWaalsContact CA-OG 3.3Å; I67-S75 WeakPolarHBondContact CA-OG 3.27Å; I67-S75 WeakPolarHBondContact CB-OG 3.32Å; I67-S75 WeakPolarHBondContact CG2-O 3.15Å; I67-L77 HydrophobicContact CG2-CB 3.97Å; I67-L77 HydrophobicContact CG2-CD1 3.85Å
68R95.4Very high92Very high132 Ų13265 Ų6550%0.49836%0.364SS..EExtended strand (participates in β ladder)trans-118136.2-177.5-170.1172.2-173.81620.8111.1G47 S48 T49 S75G47-R68 PolarHBondContact O-NE 2.88Å; S48-R68 WeakPolarHBondContact O-CA 3.48Å; T49-R68 HydrophobicContact CG2-CB 4.06Å; T49-R68 HydrophobicContact CG2-CG 3.95Å; R68-S75 PolarHBondContact N-OG 3.45Å; R68-S75 PolarHBondContact O-N 2.89Å
69C95.4Very high92Very high0 Ų062.3 Ų62.30%035%0.353CS..EExtended strand (participates in β ladder)trans-76.8123.3171.2-178.20000108.8C23 G47 S48 W74C23-C69 HydrophobicContact CB-CB 3.85Å; C23-C69 WeakPolarHBondContact CB-SG 3.42Å; C23-C69 PolarHBondContact N-SG 2.84Å; C23-C69 WeakPolarHBondContact SG-CA 3.45Å; C23-C69 WeakPolarHBondContact SG-CB 3.34Å; C23-C69 CovalentContact SG-SG 2.03Å; C23-C69 PolarHBondContact SG-SG 3.35Å; G47-C69 WeakPolarHBondContact CA-O 3.03Å; G47-C69 PolarHBondContact N-O 3.33Å; S48-C69 PolarHBondContact O-N 2.91Å; C69-W74 HydrophobicContact CB-CD2 4.47Å; C69-W74 HydrophobicContact CB-CE3 3.99Å; C69-W74 HydrophobicContact CB-CH2 3.84Å; C69-W74 HydrophobicContact CB-CZ2 4.35Å; C69-W74 HydrophobicContact CB-CZ3 3.65Å; C69-W74 VanDerWaalsContact N-CE3 3.3Å
70N93.9Very high92Very high82 Ų8263 Ų6344%0.43935%0.354SS..EExtended strand (participates in β ladder)trans-129.6109.3173.7-60.5-62.9000108.6D46 G72 I73D46-N70 WeakPolarHBondContact OD1-CA 3.41Å; N70-G72 VanDerWaalsContact C-N 3.35Å; N70-G72 PolarHBondContact O-N 3.49Å; N70-I73 PolarHBondContact N-O 2.79Å; N70-I73 PolarHBondContact O-N 3.29Å
71A90.8Very high92.1Very high53 Ų5359.5 Ų59.544%0.43833%0.331SS..THydrogen-bonded Turntrans46.153.9179.200000113Q21 D46 I73Q21-A71 VanDerWaalsContact CB-C 3.46Å; Q21-A71 PolarHBondContact OE1-O 2.7Å; D46-A71 PolarHBondContact OD1-N 3.4Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 3.27Å
72G89.7Confident92.3Very high30 Ų3060.1 Ų60.131%0.30933%0.329SS..THydrogen-bonded Turntrans80.6-2.4177.100000115.6Q21 N70Q21-G72 WeakPolarHBondContact O-CA 3.37Å; Q21-G72 PolarHBondContact O-N 2.91Å; N70-G72 VanDerWaalsContact C-N 3.35Å; N70-G72 PolarHBondContact O-N 3.49Å
73I93.4Very high92.7Very high126 Ų12659.2 Ų59.265%0.64632%0.321SS*.EExtended strand (participates in β ladder)trans-118131.3179.8-56.8175.3000110N70 A71N70-I73 PolarHBondContact N-O 2.79Å; N70-I73 PolarHBondContact O-N 3.29Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 3.27Å
74W94.8Very high93Very high44 Ų4456.2 Ų56.217%0.16731%0.306CS..EExtended strand (participates in β ladder)trans-75.7139.4172.5-71.8110.1000111.6C23 S24 P26 F44 V50 I67 C69C23-W74 HydrophobicContact CB-CD2 4.12Å; C23-W74 HydrophobicContact CB-CH2 4.32Å; C23-W74 HydrophobicContact CB-CZ2 3.51Å; S24-W74 PolarHBondContact O-NE1 3.08Å; P26-W74 HydrophobicContact CB-CD2 4.37Å; P26-W74 HydrophobicContact CB-CG 4.25Å; P26-W74 HydrophobicContact CG-CD2 4.32Å; P26-W74 HydrophobicContact CG-CZ2 4.02Å; F44-W74 HydrophobicContact CB-CH2 3.8Å; F44-W74 HydrophobicContact CB-CZ2 3.77Å; F44-W74 HydrophobicContact CD1-CH2 4.19Å; F44-W74 HydrophobicContact CD1-CZ2 4.43Å; F44-W74 HydrophobicContact CD2-CH2 4.33Å; F44-W74 AromaticContact CD2-CZ2 3.76Å; F44-W74 HydrophobicContact CD2-CZ2 3.76Å; F44-W74 AromaticContact CG-CH2 3.84Å; F44-W74 HydrophobicContact CG-CH2 3.84Å; F44-W74 AromaticContact CG-CZ2 3.72Å; F44-W74 HydrophobicContact CG-CZ2 3.72Å; V50-W74 HydrophobicContact CG1-CH2 3.83Å; V50-W74 HydrophobicContact CG1-CZ3 4.35Å; V50-W74 HydrophobicContact CG2-CE3 4.42Å; V50-W74 HydrophobicContact CG2-CH2 3.94Å; V50-W74 HydrophobicContact CG2-CZ2 4.48Å; V50-W74 HydrophobicContact CG2-CZ3 3.89Å; I67-W74 HydrophobicContact CB-CE3 4.29Å; I67-W74 HydrophobicContact CD1-CB 4.01Å; I67-W74 HydrophobicContact CD1-CD2 3.79Å; I67-W74 HydrophobicContact CD1-CE3 3.73Å; I67-W74 HydrophobicContact CD1-CG 3.91Å; I67-W74 HydrophobicContact CG1-CD2 4.34Å; I67-W74 HydrophobicContact CG1-CE3 3.76Å; I67-W74 HydrophobicContact CG1-CZ3 4.26Å; C69-W74 HydrophobicContact CB-CD2 4.47Å; C69-W74 HydrophobicContact CB-CE3 3.99Å; C69-W74 HydrophobicContact CB-CH2 3.84Å; C69-W74 HydrophobicContact CB-CZ2 4.35Å; C69-W74 HydrophobicContact CB-CZ3 3.65Å; C69-W74 VanDerWaalsContact N-CE3 3.3Å
75S94.5Very high93.5Very high35 Ų3557.1 Ų57.125%0.24531%0.305CS..PPolyproline II helixtrans-58152.5167.365.80000111.1I67 R68 L77I67-S75 VanDerWaalsContact CA-OG 3.3Å; I67-S75 WeakPolarHBondContact CA-OG 3.27Å; I67-S75 WeakPolarHBondContact CB-OG 3.32Å; I67-S75 WeakPolarHBondContact CG2-O 3.15Å; R68-S75 PolarHBondContact N-OG 3.45Å; R68-S75 PolarHBondContact O-N 2.89Å; S75-L77 PolarHBondContact O-N 2.69Å
76P92.3Very high93.7Very high105 Ų10558.2 Ų58.268%0.68231%0.312SS*.PPolyproline II helixtrans-57.2128.4-178.9-25.434.6000112.5Q78P76-Q78 PolarHBondContact O-N 3.43Å
77L91.5Very high93.8Very high17 Ų1756.4 Ų56.49%0.08931%0.307CS..  trans-78.3112.5171.1-17860.2000109.6R29 M32 F52 I67 S75 L79R29-L77 VanDerWaalsContact CZ-O 3.31Å; R29-L77 PolarHBondContact NH1-O 3.35Å; R29-L77 PolarHBondContact NH2-O 2.8Å; R29-L77 VanDerWaalsContact NH2-O 3.17Å; M32-L77 HydrophobicContact SD-CD2 3.64Å; M32-L77 HydrophobicContact SD-CG 4.39Å; F52-L77 HydrophobicContact CB-CD1 4.37Å; F52-L77 HydrophobicContact CD1-CD2 4.38Å; F52-L77 HydrophobicContact CD2-CD1 3.65Å; F52-L77 HydrophobicContact CD2-CD2 3.79Å; F52-L77 HydrophobicContact CD2-CG 4.38Å; F52-L77 HydrophobicContact CE1-CD2 4.48Å; F52-L77 HydrophobicContact CE2-CD1 4.29Å; F52-L77 HydrophobicContact CE2-CD2 3.88Å; F52-L77 HydrophobicContact CG-CD1 4.18Å; F52-L77 HydrophobicContact CG-CD2 4.05Å; F52-L77 HydrophobicContact CZ-CD2 4.22Å; I67-L77 HydrophobicContact CG2-CB 3.97Å; I67-L77 HydrophobicContact CG2-CD1 3.85Å; S75-L77 PolarHBondContact O-N 2.69Å; L77-L79 HydrophobicContact CD1-CB 3.94Å
78Q91.4Very high93.8Very high109 Ų10960.3 Ų60.351%0.50934%0.335SS..  trans-106.92.5179.3-61.8-150.9-19.200114.4D63 P76 I80D63-Q78 HydrophobicContact CB-CB 4.32Å; P76-Q78 PolarHBondContact O-N 3.43Å; Q78-I80 PolarHBondContact O-N 3.09Å
79L93.2Very high93.7Very high5 Ų555.2 Ų55.23%0.02632%0.317CS..  trans-58.8129.3174.7-177.264.1000110.7M32 F52 P60 Q62 L77M32-L79 HydrophobicContact CB-CD2 4.43Å; M32-L79 HydrophobicContact CE-CB 4.34Å; M32-L79 HydrophobicContact CE-CD2 4.41Å; M32-L79 HydrophobicContact CE-CG 4.27Å; M32-L79 VanDerWaalsContact CE-O 3.24Å; M32-L79 WeakPolarHBondContact CE-O 3.27Å; M32-L79 HydrophobicContact SD-CD2 4.28Å; F52-L79 HydrophobicContact CB-CD2 3.77Å; P60-L79 HydrophobicContact CB-CD1 3.74Å; Q62-L79 WeakPolarHBondContact O-CA 3.44Å; Q62-L79 WeakPolarHBondContact O-CD1 3.05Å; L77-L79 HydrophobicContact CD1-CB 3.94Å
80I92.8Very high93.6Very high78 Ų7856.7 Ų56.740%0.433%0.333SS..EExtended strand (participates in β ladder)trans-119.1125.8171.2-60.1176.7000108.1V61 Q62 Q78 E82V61-I80 PolarHBondContact N-O 2.93Å; Q62-I80 PolarHBondContact O-N 2.82Å; Q78-I80 PolarHBondContact O-N 3.09Å; I80-E82 HydrophobicContact CG2-CG 4.33Å
81C94.5Very high93.6Very high9 Ų961.4 Ų61.46%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-112.8117.6-179.4-670000110.1N31 C54N31-C81 HydrophobicContact CB-CB 4.1Å; N31-C81 VanDerWaalsContact O-CB 3.26Å; N31-C81 WeakPolarHBondContact O-CB 3.43Å; C54-C81 WeakPolarHBondContact CA-SG 3.45Å; C54-C81 HydrophobicContact CB-CB 3.72Å; C54-C81 WeakPolarHBondContact CB-SG 3.5Å; C54-C81 WeakPolarHBondContact SG-CB 3.44Å; C54-C81 CovalentContact SG-SG 2.04Å; C54-C81 PolarHBondContact SG-SG 2.85Å
82E93.9Very high93.9Very high98 Ų9859.3 Ų59.346%0.45833%0.333SS..EExtended strand (participates in β ladder)trans-113.5159.2178.2-66.7-173.4177.700111.3Y58 T59 V61 I80 S84Y58-E82 CarbonylContact C-O 3.45Å; Y58-E82 WeakPolarHBondContact CA-O 3.38Å; Y58-E82 WeakPolarHBondContact CB-O 3.46Å; Y58-E82 VanDerWaalsContact CD1-C 3.42Å; T59-E82 PolarHBondContact N-O 3.3Å; T59-E82 PolarHBondContact O-N 3.5Å; T59-E82 VanDerWaalsContact O-N 3.09Å; V61-E82 HydrophobicContact CG2-CB 3.67Å; V61-E82 HydrophobicContact CG2-CG 3.6Å; I80-E82 HydrophobicContact CG2-CG 4.33Å; E82-S84 PolarHBondContact O-N 2.04Å
83R95.3Very high94.2Very high83 Ų8362.7 Ų62.731%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-60.2134.6179.5-66.4-166.9-66.5165.9-2.7110.3Y58 Q104 F105 D107Y58-R83 HydrophobicContact CD1-CG 4.17Å; Y58-R83 HydrophobicContact CE1-CB 4.47Å; Y58-R83 HydrophobicContact CE1-CG 3.57Å; R83-Q104 HydrophobicContact CB-CB 3.85Å; R83-Q104 HydrophobicContact CB-CG 4.43Å; R83-Q104 VanDerWaalsContact CZ-OE1 3.25Å; R83-Q104 VanDerWaalsContact NE-OE1 3.17Å; R83-F105 HydrophobicContact CB-CB 4.26Å; R83-F105 PolarHBondContact NH1-O 3.37Å; R83-D107 IonicContact CZ-OD1 2.72Å; R83-D107 IonicContact NH1-OD1 2.77Å; R83-D107 PolarHBondContact NH1-OD1 2.82Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 IonicContact NH2-OD1 3.6Å; R83-D107 IonicContact NH2-OD2 2.87Å
84S94.9Very high94.3Very high17 Ų1760 Ų6012%0.11934%0.337CS..  trans-60.3141.3174.6-53.10000109.9G57 E82 Q104 F105G57-S84 WeakPolarHBondContact O-CB 3.39Å; G57-S84 PolarHBondContact O-N 2.86Å; G57-S84 PolarHBondContact O-OG 3.34Å; E82-S84 PolarHBondContact O-N 2.04Å; S84-Q104 CarbonylContact O-C 3.45Å; S84-Q104 VanDerWaalsContact O-CA 3.22Å; S84-Q104 WeakPolarHBondContact O-CA 3.49Å; S84-F105 PolarHBondContact O-N 3.08Å
85N95.2Very high94.4Very high104 Ų10458.5 Ų58.556%0.55634%0.336SS*.BIsolated β-bridgetrans-104.7121.5178.5-166.9-28.9000110G87 T103N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 WeakPolarHBondContact OD1-CA 3.24Å; N85-G87 PolarHBondContact OD1-N 2.02Å; N85-T103 PolarHBondContact OD1-O 3.43Å; N85-T103 PolarHBondContact OD1-OG1 2.77Å
86C96.1Very high94.5Very high23 Ų2363.1 Ų63.116%0.15535%0.353CS..  trans-79.4-9.8177.8-67.70000113.5T103 C127 G131 W132C86-T103 PolarHBondContact N-O 3.24Å; C86-C127 HydrophobicContact CB-CB 3.83Å; C86-C127 WeakPolarHBondContact CB-SG 3.43Å; C86-C127 WeakPolarHBondContact SG-CA 3.19Å; C86-C127 WeakPolarHBondContact SG-CB 3.26Å; C86-C127 CovalentContact SG-SG 2.02Å; C86-C127 PolarHBondContact SG-SG 3.17Å; C86-G131 WeakPolarHBondContact SG-CA 3.34Å; C86-W132 HydrophobicContact CB-CD2 3.99Å; C86-W132 HydrophobicContact CB-CG 4.11Å; C86-W132 HydrophobicContact CB-CZ2 4.09Å; C86-W132 PolarHBondContact O-NE1 3.42Å
87G95.1Very high94.8Very high30 Ų3059.6 Ų59.631%0.30933%0.33SS..  trans66.1-162.4-174.600000112.8N85 T103 W132N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 WeakPolarHBondContact OD1-CA 3.24Å; N85-G87 PolarHBondContact OD1-N 2.02Å; G87-T103 WeakPolarHBondContact O-CB 3.26Å; G87-T103 WeakPolarHBondContact O-CG2 3.14Å; G87-W132 WeakPolarHBondContact O-CZ2 3.35Å; G87-W132 PolarHBondContact O-NE1 3.45Å
88S94.9Very high95Very high87 Ų8761.3 Ų61.361%0.60834%0.343SS*.  trans-75.8134.6175-174.60000110.6G90 Y99S88-G90 PolarHBondContact O-N 2.85Å; S88-G90 PolarHBondContact OG-N 2.97Å; S88-Y99 PolarHBondContact OG-OH 3.41Å
89L93.5Very high95.3Very high24 Ų2459 Ų5913%0.12633%0.33CS..  trans-70.9-13174.5-175.266.2000112.7V97 Y99 A109 I111 I125 W132 L136L89-V97 HydrophobicContact CD2-CG1 4.25Å; L89-Y99 HydrophobicContact CB-CE1 4.26Å; L89-Y99 WeakPolarHBondContact CB-OH 3.18Å; L89-Y99 PolarHBondContact N-OH 2.82Å; L89-A109 HydrophobicContact CD2-CB 3.8Å; L89-I111 HydrophobicContact CD2-CD1 4.42Å; L89-I125 HydrophobicContact CD1-CD1 4.28Å; L89-I125 HydrophobicContact CD1-CG2 4.49Å; L89-I125 HydrophobicContact CD2-CB 4.16Å; L89-I125 HydrophobicContact CD2-CD1 3.79Å; L89-I125 HydrophobicContact CD2-CG1 4.28Å; L89-W132 HydrophobicContact CB-CD2 4.28Å; L89-W132 HydrophobicContact CB-CG 4.27Å; L89-W132 HydrophobicContact CD1-CB 3.4Å; L89-W132 VanDerWaalsContact CD1-CD1 3.49Å; L89-W132 HydrophobicContact CD1-CD2 3.92Å; L89-W132 HydrophobicContact CD1-CG 3.3Å; L89-W132 HydrophobicContact CG-CG 4.28Å; L89-L136 HydrophobicContact CB-CD2 4.45Å; L89-L136 HydrophobicContact CD1-CD2 4.4Å; L89-L136 HydrophobicContact CD2-CD2 3.55Å; L89-L136 HydrophobicContact CG-CD2 3.48Å; L89-L136 VanDerWaalsContact CG-CD2 3.48Å; L89-L136 HydrophobicContact CG-CG 4.04Å; L89-L136 WeakPolarHBondContact O-CD1 3.23Å
90G93.6Very high95.4Very high32 Ų3262.6 Ų62.633%0.3335%0.354SS..  trans101.6-168.1-177.200000113.1S88S88-G90 PolarHBondContact O-N 2.85Å; S88-G90 PolarHBondContact OG-N 2.97Å
91E94.6Very high95.6Very high181 Ų18165.8 Ų65.885%0.84637%0.367SS*.  trans-105.2144.3-178.7-64-176.1175.200111.4L136E91-L136 WeakPolarHBondContact O-CD1 3.47Å
92V96.3Very high95.7Very high8 Ų866.6 Ų66.65%0.04838%0.377CS..  trans-106.4116173.8178.60000108.4N94 G95 V97 I111 L136 C139V92-N94 PolarHBondContact O-N 2.91Å; V92-G95 CarbonylContact O-C 3.46Å; V92-G95 PolarHBondContact O-N 2.84Å; V92-G95 VanDerWaalsContact O-O 3.05Å; V92-V97 HydrophobicContact CB-CG2 4.44Å; V92-V97 HydrophobicContact CG2-CG2 3.65Å; V92-I111 HydrophobicContact CG1-CG2 4.44Å; V92-I111 HydrophobicContact CG2-CG2 4.03Å; V92-L136 HydrophobicContact CG2-CB 4.46Å; V92-L136 HydrophobicContact CG2-CD1 4.42Å; V92-L136 HydrophobicContact CG2-CD2 3.58Å; V92-L136 HydrophobicContact CG2-CG 4.39Å; V92-C139 HydrophobicContact CG1-CB 4.39Å
93P95.9Very high95.8Very high101 Ų10163.3 Ų63.366%0.65636%0.364SS*.THydrogen-bonded Turntrans-55.5131.7174.2-25.534.6000110.9G95 C139P93-G95 PolarHBondContact O-N 3.44Å; P93-C139 WeakPolarHBondContact O-CB 3.44Å
94N96.1Very high95.9Very high69 Ų6962.4 Ų62.437%0.36936%0.363SS..THydrogen-bonded Turntrans57.925.5-175.8-50.7-61.2000114.6V92 N114 Y117 C139V92-N94 PolarHBondContact O-N 2.91Å; N94-N114 VanDerWaalsContact C-ND2 3.35Å; N94-N114 WeakPolarHBondContact O-CB 3.04Å; N94-N114 PolarHBondContact O-N 3.34Å; N94-Y117 HydrophobicContact CB-CD1 3.46Å; N94-Y117 VanDerWaalsContact CB-CD1 3.46Å; N94-Y117 HydrophobicContact CB-CD2 3.84Å; N94-Y117 HydrophobicContact CB-CE1 3.43Å; N94-Y117 VanDerWaalsContact CB-CE1 3.43Å; N94-Y117 HydrophobicContact CB-CE2 3.81Å; N94-Y117 HydrophobicContact CB-CG 3.68Å; N94-Y117 VanDerWaalsContact ND2-CE1 3.31Å; N94-Y117 WeakPolarHBondContact ND2-CE1 3.34Å; N94-Y117 PolarHBondContact OD1-OH 3.38Å; N94-C139 HydrophobicContact CB-CB 4.28Å
95G96.8Very high96Very high14 Ų1464.3 Ų64.314%0.14437%0.369CS..EExtended strand (participates in β ladder)trans-147.3-176173.200000111.9V92 P93 T112V92-G95 CarbonylContact O-C 3.46Å; V92-G95 PolarHBondContact O-N 2.84Å; V92-G95 VanDerWaalsContact O-O 3.05Å; P93-G95 PolarHBondContact O-N 3.44Å; G95-T112 CarbonylContact C-O 3.39Å; G95-T112 WeakPolarHBondContact CA-O 3.41Å
96Q97Very high96Very high131 Ų13161.5 Ų61.561%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-137.1140.8-178.8-61.5-178.116.100109.2I111 T112Q96-I111 WeakPolarHBondContact O-CA 3.04Å; Q96-T112 PolarHBondContact N-O 2.73Å; Q96-T112 PolarHBondContact O-N 2.78Å
97V97.3Very high96.1Very high32 Ų3261 Ų6119%0.19436%0.361CS..EExtended strand (participates in β ladder)trans-109.5131.4173-171.60000108.2L89 V92 Y99 A109 L110 I111 L136L89-V97 HydrophobicContact CD2-CG1 4.25Å; V92-V97 HydrophobicContact CB-CG2 4.44Å; V92-V97 HydrophobicContact CG2-CG2 3.65Å; V97-Y99 HydrophobicContact CG1-CE1 3.99Å; V97-Y99 HydrophobicContact CG1-CE2 4.08Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.4Å; V97-A109 HydrophobicContact CG1-CB 4.06Å; V97-L110 WeakPolarHBondContact CA-O 3.26Å; V97-I111 HydrophobicContact CG2-CG1 4.28Å; V97-L136 HydrophobicContact CG2-CD2 4.23Å
98S97.1Very high96.2Very high52 Ų5263.9 Ų63.936%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-126.6147.6179.362.80000111P100 A109 L110S98-P100 WeakPolarHBondContact O-CD 3.45Å; S98-A109 CarbonylContact O-C 3.59Å; S98-A109 WeakPolarHBondContact O-CA 3.45Å; S98-L110 PolarHBondContact N-O 2.83Å; S98-L110 PolarHBondContact O-N 3.44Å; S98-L110 PolarHBondContact OG-O 3.06Å
99Y97.4Very high96.4Very high62 Ų6259.7 Ų59.724%0.24334%0.336CS..  trans-124.870.1-175.7-54.1-80.9000109.8S88 L89 V97 Q101 G102 T103 A109 W132S88-Y99 PolarHBondContact OG-OH 3.41Å; L89-Y99 HydrophobicContact CB-CE1 4.26Å; L89-Y99 WeakPolarHBondContact CB-OH 3.18Å; L89-Y99 PolarHBondContact N-OH 2.82Å; V97-Y99 HydrophobicContact CG1-CE1 3.99Å; V97-Y99 HydrophobicContact CG1-CE2 4.08Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.4Å; Y99-Q101 PolarHBondContact O-N 3.24Å; Y99-Q101 VanDerWaalsContact O-N 3.16Å; Y99-G102 PolarHBondContact O-N 3.41Å; Y99-T103 HydrophobicContact CD1-CG2 3.58Å; Y99-T103 HydrophobicContact CD2-CG2 4.46Å; Y99-T103 HydrophobicContact CE1-CG2 3.98Å; Y99-T103 HydrophobicContact CG-CG2 3.83Å; Y99-A109 HydrophobicContact CD1-CB 3.82Å; Y99-A109 HydrophobicContact CE1-CB 3.61Å; Y99-W132 AromaticContact CD1-CH2 3.86Å; Y99-W132 HydrophobicContact CD1-CH2 3.86Å; Y99-W132 AromaticContact CD1-CZ2 3.91Å; Y99-W132 HydrophobicContact CD1-CZ2 3.91Å; Y99-W132 AromaticContact CE1-CH2 3.85Å; Y99-W132 HydrophobicContact CE1-CH2 3.85Å; Y99-W132 AromaticContact CE1-CZ2 3.53Å; Y99-W132 HydrophobicContact CE1-CZ2 3.53Å
100P95.8Very high96.6Very high79 Ų7961.1 Ų61.151%0.51334%0.343SS..THydrogen-bonded Turntrans-62.1-26.4-17225.6-35.8000113.7S98 L110S98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-L110 HydrophobicContact CG-CD1 3.78Å; P100-L110 HydrophobicContact CG-CG 4.09Å
101Q95.7Very high96.8Very high145 Ų14559.9 Ų59.968%0.67833%0.329SS*.THydrogen-bonded Turntrans-109.2-1.8-179.5-59-58.9-43.600113.5Y99 D107Y99-Q101 PolarHBondContact O-N 3.24Å; Y99-Q101 VanDerWaalsContact O-N 3.16Å; Q101-D107 HydrophobicContact CB-CB 4.41Å
102G96.4Very high96.9Very high27 Ų2755.6 Ų55.628%0.27832%0.315SS..  trans102.8-163.7-172.400000113.9Y99 D107Y99-G102 PolarHBondContact O-N 3.41Å; G102-D107 VanDerWaalsContact C-OD2 3.28Å; G102-D107 WeakPolarHBondContact O-CB 3.46Å
103T97.2Very high96.9Very high29 Ų2956.3 Ų56.318%0.17832%0.32CS..SBendtrans-126.719.4-173.559.70000112.6N85 C86 G87 Y99 D107 C127 W132N85-T103 PolarHBondContact OD1-O 3.43Å; N85-T103 PolarHBondContact OD1-OG1 2.77Å; C86-T103 PolarHBondContact N-O 3.24Å; G87-T103 WeakPolarHBondContact O-CB 3.26Å; G87-T103 WeakPolarHBondContact O-CG2 3.14Å; Y99-T103 HydrophobicContact CD1-CG2 3.58Å; Y99-T103 HydrophobicContact CD2-CG2 4.46Å; Y99-T103 HydrophobicContact CE1-CG2 3.98Å; Y99-T103 HydrophobicContact CG-CG2 3.83Å; T103-D107 PolarHBondContact N-OD2 3.37Å; T103-C127 PolarHBondContact O-SG 2.84Å; T103-C127 VanDerWaalsContact O-SG 3.38Å; T103-W132 HydrophobicContact CG2-CH2 4.47Å; T103-W132 HydrophobicContact CG2-CZ2 3.99Å
104Q97Very high96.9Very high63 Ų6354.5 Ų54.529%0.29431%0.305SS..BIsolated β-bridgetrans-90.5165.4-179-62.6-175.6-47.300111.8R83 S84 G106 D107 C127R83-Q104 HydrophobicContact CB-CB 3.85Å; R83-Q104 HydrophobicContact CB-CG 4.43Å; R83-Q104 VanDerWaalsContact CZ-OE1 3.25Å; R83-Q104 VanDerWaalsContact NE-OE1 3.17Å; S84-Q104 CarbonylContact O-C 3.45Å; S84-Q104 VanDerWaalsContact O-CA 3.22Å; S84-Q104 WeakPolarHBondContact O-CA 3.49Å; Q104-G106 PolarHBondContact O-N 3.28Å; Q104-D107 WeakPolarHBondContact CA-OD2 3.42Å; Q104-D107 WeakPolarHBondContact CB-OD2 3.38Å; Q104-D107 PolarHBondContact N-OD2 2.83Å; Q104-D107 WeakPolarHBondContact O-CA 3.22Å; Q104-D107 WeakPolarHBondContact O-CB 3.39Å; Q104-D107 PolarHBondContact O-N 2.78Å; Q104-C127 VanDerWaalsContact O-CB 3.26Å; Q104-C127 WeakPolarHBondContact O-CB 3.25Å; Q104-C127 PolarHBondContact O-SG 3.33Å; Q104-C127 VanDerWaalsContact O-SG 3.34Å
105F97.3Very high96.8Very high57 Ų5755.7 Ų55.725%0.2532%0.315CS..THydrogen-bonded Turntrans-47.8126.1-179.8179.1-111.2000112.1G57 R83 S84 D107 C127 T129G57-F105 WeakPolarHBondContact O-CB 3.42Å; R83-F105 HydrophobicContact CB-CB 4.26Å; R83-F105 PolarHBondContact NH1-O 3.37Å; S84-F105 PolarHBondContact O-N 3.08Å; F105-D107 VanDerWaalsContact C-N 3.32Å; F105-C127 PolarHBondContact N-SG 3.43Å; F105-C127 VanDerWaalsContact N-SG 3.44Å; F105-T129 HydrophobicContact CD2-CG2 4.45Å; F105-T129 HydrophobicContact CE2-CG2 3.73Å; F105-T129 HydrophobicContact CZ-CG2 4.31Å
106G95.7Very high96.6Very high45 Ų4555.1 Ų55.146%0.46431%0.309SS..THydrogen-bonded Turntrans87.3-17.4-175.200000115.3Q104 C127Q104-G106 PolarHBondContact O-N 3.28Å; G106-C127 PolarHBondContact N-O 2.92Å
107D97.6Very high96.5Very high14 Ų1452.5 Ų52.58%0.07529%0.294CS..  trans-69.1159.3177.1-58.8-18.3000110.9R83 Q101 G102 T103 Q104 F105 T126 C127R83-D107 IonicContact CZ-OD1 2.72Å; R83-D107 IonicContact NH1-OD1 2.77Å; R83-D107 PolarHBondContact NH1-OD1 2.82Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 IonicContact NH2-OD1 3.6Å; R83-D107 IonicContact NH2-OD2 2.87Å; Q101-D107 HydrophobicContact CB-CB 4.41Å; G102-D107 VanDerWaalsContact C-OD2 3.28Å; G102-D107 WeakPolarHBondContact O-CB 3.46Å; T103-D107 PolarHBondContact N-OD2 3.37Å; Q104-D107 WeakPolarHBondContact CA-OD2 3.42Å; Q104-D107 WeakPolarHBondContact CB-OD2 3.38Å; Q104-D107 PolarHBondContact N-OD2 2.83Å; Q104-D107 WeakPolarHBondContact O-CA 3.22Å; Q104-D107 WeakPolarHBondContact O-CB 3.39Å; Q104-D107 PolarHBondContact O-N 2.78Å; F105-D107 VanDerWaalsContact C-N 3.32Å; D107-T126 WeakPolarHBondContact O-CA 3.47Å; D107-C127 PolarHBondContact O-N 3.1Å
108K97.5Very high96.3Very high89 Ų8954.7 Ų54.739%0.38730%0.301SS..EExtended strand (participates in β ladder)trans-119.9133.1-176.8-67.2-177.2170.4-166.10111.8E124 I125K108-E124 WeakPolarHBondContact CD-OE2 3.39Å; K108-E124 IonicContact NZ-OE2 2.69Å; K108-E124 PolarHBondContact NZ-OE2 2.83Å; K108-I125 WeakPolarHBondContact CA-O 3.38Å
109A97.9Very high96.2Very high0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-87.1132.5162.900000109.3L89 V97 S98 Y99 E124 I125 W132L89-A109 HydrophobicContact CD2-CB 3.8Å; V97-A109 HydrophobicContact CG1-CB 4.06Å; S98-A109 CarbonylContact O-C 3.59Å; S98-A109 WeakPolarHBondContact O-CA 3.45Å; Y99-A109 HydrophobicContact CD1-CB 3.82Å; Y99-A109 HydrophobicContact CE1-CB 3.61Å; A109-E124 VanDerWaalsContact O-CA 3.28Å; A109-E124 WeakPolarHBondContact O-CA 3.48Å; A109-I125 PolarHBondContact N-O 2.76Å; A109-I125 PolarHBondContact O-N 3.14Å; A109-W132 HydrophobicContact CB-CE3 4.24Å; A109-W132 HydrophobicContact CB-CH2 3.75Å; A109-W132 HydrophobicContact CB-CZ2 4.37Å; A109-W132 HydrophobicContact CB-CZ3 3.68Å
110L97.8Very high96Very high54 Ų5455.5 Ų55.528%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-107.7131.1175.2-51179.2000109.9V97 S98 P100 S123 E124V97-L110 WeakPolarHBondContact CA-O 3.26Å; S98-L110 PolarHBondContact N-O 2.83Å; S98-L110 PolarHBondContact O-N 3.44Å; S98-L110 PolarHBondContact OG-O 3.06Å; P100-L110 HydrophobicContact CG-CD1 3.78Å; P100-L110 HydrophobicContact CG-CG 4.09Å; L110-S123 WeakPolarHBondContact CA-O 3.28Å; L110-E124 HydrophobicContact CD2-CB 4.25Å; L110-E124 HydrophobicContact CD2-CG 3.57Å
111I97.9Very high96Very high6 Ų654.7 Ų54.73%0.03131%0.313CS..EExtended strand (participates in β ladder)trans-110.1126.9-178.8-56.886.3000109.7L89 V92 Q96 V97 L119 S123 I125 P137L89-I111 HydrophobicContact CD2-CD1 4.42Å; V92-I111 HydrophobicContact CG1-CG2 4.44Å; V92-I111 HydrophobicContact CG2-CG2 4.03Å; Q96-I111 WeakPolarHBondContact O-CA 3.04Å; V97-I111 HydrophobicContact CG2-CG1 4.28Å; I111-L119 HydrophobicContact CB-CD1 4.47Å; I111-L119 HydrophobicContact CG2-CD1 3.92Å; I111-S123 PolarHBondContact N-O 3.3Å; I111-I125 HydrophobicContact CD1-CD1 4.33Å; I111-I125 HydrophobicContact CD1-CG1 3.95Å; I111-P137 HydrophobicContact CB-CG 4.01Å; I111-P137 HydrophobicContact CD1-CG 4.44Å; I111-P137 HydrophobicContact CG1-CG 3.98Å; I111-P137 HydrophobicContact CG2-CG 3.71Å
112T97.3Very high96Very high90 Ų9053.2 Ų53.255%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans-126128.5177.2-570000109.5G95 Q96G95-T112 CarbonylContact C-O 3.39Å; G95-T112 WeakPolarHBondContact CA-O 3.41Å; Q96-T112 PolarHBondContact N-O 2.73Å; Q96-T112 PolarHBondContact O-N 2.78Å
113C96.9Very high96Very high24 Ų2454.9 Ų54.916%0.16231%0.312CS..EExtended strand (participates in β ladder)trans-80.1148.4174.5-640000111.4L119 C139C113-L119 WeakPolarHBondContact SG-CA 3.49Å; C113-L119 PolarHBondContact SG-N 2.83Å; C113-C139 WeakPolarHBondContact CA-SG 3.4Å; C113-C139 HydrophobicContact CB-CB 3.79Å; C113-C139 WeakPolarHBondContact CB-SG 2.9Å; C113-C139 VanDerWaalsContact SG-CA 3.52Å; C113-C139 WeakPolarHBondContact SG-CB 3.23Å; C113-C139 CovalentContact SG-SG 2.04Å; C113-C139 PolarHBondContact SG-SG 3.23Å
114N95.5Very high96Very high62 Ų6257.4 Ų57.433%0.33232%0.322SS..PPolyproline II helixtrans-65.5158.5174-66.1-20.7000110.5N94 G116 Y117N94-N114 VanDerWaalsContact C-ND2 3.35Å; N94-N114 WeakPolarHBondContact O-CB 3.04Å; N94-N114 PolarHBondContact O-N 3.34Å; N114-G116 PolarHBondContact O-N 2.84Å; N114-Y117 HydrophobicContact CB-CD2 4.26Å; N114-Y117 WeakPolarHBondContact O-CB 3.34Å; N114-Y117 PolarHBondContact O-N 3.2Å
115T93.1Very high96Very high95 Ų9554.4 Ų54.458%0.58331%0.308SS*.THydrogen-bonded Turntrans-53.3133.6175.9-540000111.4Y117 Y164T115-Y117 VanDerWaalsContact C-N 3.35Å; T115-Y164 HydrophobicContact CG2-CE1 4.31Å
116G93.2Very high96Very high1 Ų153.8 Ų53.81%0.0131%0.309CS..THydrogen-bonded Turntrans85.63.1-175.100000114.8N114 A142 Y164N114-G116 PolarHBondContact O-N 2.84Å; G116-A142 WeakPolarHBondContact O-CB 3.35Å; G116-A142 PolarHBondContact O-N 3.47Å; G116-Y164 VanDerWaalsContact CA-CD1 3.43Å; G116-Y164 VanDerWaalsContact CA-CG 3.45Å
117Y94.8Very high96.1Very high77 Ų7751.7 Ų51.730%0.30229%0.287SS..EExtended strand (participates in β ladder)trans-122.9147.6174.5-64.7-99.1000111.1N94 N114 T115 C139 E140 V141N94-Y117 HydrophobicContact CB-CD1 3.46Å; N94-Y117 VanDerWaalsContact CB-CD1 3.46Å; N94-Y117 HydrophobicContact CB-CD2 3.84Å; N94-Y117 HydrophobicContact CB-CE1 3.43Å; N94-Y117 VanDerWaalsContact CB-CE1 3.43Å; N94-Y117 HydrophobicContact CB-CE2 3.81Å; N94-Y117 HydrophobicContact CB-CG 3.68Å; N94-Y117 VanDerWaalsContact ND2-CE1 3.31Å; N94-Y117 WeakPolarHBondContact ND2-CE1 3.34Å; N94-Y117 PolarHBondContact OD1-OH 3.38Å; N114-Y117 HydrophobicContact CB-CD2 4.26Å; N114-Y117 WeakPolarHBondContact O-CB 3.34Å; N114-Y117 PolarHBondContact O-N 3.2Å; T115-Y117 VanDerWaalsContact C-N 3.35Å; Y117-C139 WeakPolarHBondContact CD1-O 3.09Å; Y117-E140 CarbonylContact C-O 3.53Å; Y117-E140 VanDerWaalsContact CA-O 3.23Å; Y117-E140 WeakPolarHBondContact CA-O 3.05Å; Y117-V141 HydrophobicContact CD1-CB 4.07Å; Y117-V141 HydrophobicContact CE1-CB 3.82Å; Y117-V141 HydrophobicContact CE1-CG2 4.36Å
118K92.9Very high96Very high78 Ų7851.1 Ų51.134%0.33929%0.285SS..EExtended strand (participates in β ladder)trans-114.2138179.4-67-169.5175.6-171.60110.5V120 C139 E140 E188 N190K118-V120 PolarHBondContact O-N 2.85Å; K118-C139 WeakPolarHBondContact O-CA 3.04Å; K118-E140 PolarHBondContact N-O 2.96Å; K118-E140 PolarHBondContact O-N 3.03Å; K118-E188 WeakPolarHBondContact CE-O 3.45Å; K118-N190 WeakPolarHBondContact CE-OD1 3.02Å; K118-N190 PolarHBondContact NZ-ND2 2.8Å; K118-N190 PolarHBondContact NZ-OD1 2.8Å
119L94.8Very high95.8Very high59 Ų5950.4 Ų50.431%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-74.5122177.8-173.874.8000110.4I111 C113 S123 P137I111-L119 HydrophobicContact CB-CD1 4.47Å; I111-L119 HydrophobicContact CG2-CD1 3.92Å; C113-L119 WeakPolarHBondContact SG-CA 3.49Å; C113-L119 PolarHBondContact SG-N 2.83Å; L119-S123 VanDerWaalsContact CD2-CA 3.46Å; L119-S123 VanDerWaalsContact CD2-CB 3.44Å; L119-P137 HydrophobicContact CD1-CB 3.78Å; L119-P137 HydrophobicContact CD1-CG 3.64Å
120V95Very high95.4Very high71 Ų7159.7 Ų59.743%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-111.3106.1170.7-178.10000108.2K118 P137 T138 E140K118-V120 PolarHBondContact O-N 2.85Å; V120-P137 WeakPolarHBondContact O-CB 3.48Å; V120-T138 PolarHBondContact N-O 3.32Å; V120-T138 PolarHBondContact O-N 2.97Å; V120-T138 VanDerWaalsContact O-N 3.08Å; V120-E140 HydrophobicContact CG2-CB 4.22Å; V120-E140 HydrophobicContact CG2-CG 3.87Å
121G94.8Very high95.2Very high62 Ų6258.1 Ų58.164%0.63933%0.328SS*.SBendtrans123.6-157.3-176.600000112.8
122K95.3Very high95.2Very high114 Ų11459.7 Ų59.750%0.49633%0.334SS..  trans-81.5136.8179.8-70.6176.5172.7173.40111E124 D134 P137K122-E124 VanDerWaalsContact C-N 3.33Å; K122-D134 HydrophobicContact CD-CB 4.29Å; K122-D134 WeakPolarHBondContact CD-OD2 3.42Å; K122-D134 IonicContact NZ-OD1 3.69Å; K122-D134 PolarHBondContact NZ-OD1 3.22Å; K122-D134 IonicContact NZ-OD2 2.7Å; K122-D134 PolarHBondContact NZ-OD2 2.79Å; K122-P137 WeakPolarHBondContact O-CG 3.5Å
123S96.2Very high95.1Very high62 Ų6260.7 Ų60.743%0.43434%0.335SS..SBendtrans-83-12.5173.356.90000113.3L110 I111 L119L110-S123 WeakPolarHBondContact CA-O 3.28Å; I111-S123 PolarHBondContact N-O 3.3Å; L119-S123 VanDerWaalsContact CD2-CA 3.46Å; L119-S123 VanDerWaalsContact CD2-CB 3.44Å
124E97.3Very high95Very high82 Ų8262.4 Ų62.438%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-134.7136.6-179.7-51-169.1166.700110.2K108 A109 L110 K122K108-E124 WeakPolarHBondContact CD-OE2 3.39Å; K108-E124 IonicContact NZ-OE2 2.69Å; K108-E124 PolarHBondContact NZ-OE2 2.83Å; A109-E124 VanDerWaalsContact O-CA 3.28Å; A109-E124 WeakPolarHBondContact O-CA 3.48Å; L110-E124 HydrophobicContact CD2-CB 4.25Å; L110-E124 HydrophobicContact CD2-CG 3.57Å; K122-E124 VanDerWaalsContact C-N 3.33Å
125I97.6Very high94.9Very high0 Ų070.4 Ų70.40%037%0.368CS..EExtended strand (participates in β ladder)trans-127.3132.3173.3-52.9-171000108.9L89 K108 A109 I111 W132 D134 R135L89-I125 HydrophobicContact CD1-CD1 4.28Å; L89-I125 HydrophobicContact CD1-CG2 4.49Å; L89-I125 HydrophobicContact CD2-CB 4.16Å; L89-I125 HydrophobicContact CD2-CD1 3.79Å; L89-I125 HydrophobicContact CD2-CG1 4.28Å; K108-I125 WeakPolarHBondContact CA-O 3.38Å; A109-I125 PolarHBondContact N-O 2.76Å; A109-I125 PolarHBondContact O-N 3.14Å; I111-I125 HydrophobicContact CD1-CD1 4.33Å; I111-I125 HydrophobicContact CD1-CG1 3.95Å; I125-W132 HydrophobicContact CB-CE3 4.43Å; I125-W132 HydrophobicContact CG2-CB 3.91Å; I125-W132 HydrophobicContact CG2-CE3 4.06Å; I125-W132 VanDerWaalsContact O-CZ3 3.26Å; I125-W132 WeakPolarHBondContact O-CZ3 3.45Å; I125-D134 HydrophobicContact CB-CB 4.44Å; I125-D134 HydrophobicContact CD1-CB 3.85Å; I125-D134 HydrophobicContact CG1-CB 4Å; I125-D134 HydrophobicContact CG2-CB 3.77Å; I125-R135 WeakPolarHBondContact CD1-O 3.27Å
126T97.8Very high95Very high44 Ų4468.8 Ų68.827%0.2736%0.356SS..EExtended strand (participates in β ladder)trans-96140.1-177.9-59.80000111.3D107 G128 L133D107-T126 WeakPolarHBondContact O-CA 3.47Å; T126-G128 PolarHBondContact O-N 3.28Å; T126-L133 HydrophobicContact CG2-CD1 4.36Å; T126-L133 WeakPolarHBondContact O-CG 3.36Å; T126-L133 PolarHBondContact O-N 2.74Å
127C97.4Very high95.2Very high1 Ų169.4 Ų69.41%0.00736%0.359CS..EExtended strand (participates in β ladder)trans-74.3112.8172.6174.10000109.9C86 T103 Q104 F105 G106 D107 W132C86-C127 HydrophobicContact CB-CB 3.83Å; C86-C127 WeakPolarHBondContact CB-SG 3.43Å; C86-C127 WeakPolarHBondContact SG-CA 3.19Å; C86-C127 WeakPolarHBondContact SG-CB 3.26Å; C86-C127 CovalentContact SG-SG 2.02Å; C86-C127 PolarHBondContact SG-SG 3.17Å; T103-C127 PolarHBondContact O-SG 2.84Å; T103-C127 VanDerWaalsContact O-SG 3.38Å; Q104-C127 VanDerWaalsContact O-CB 3.26Å; Q104-C127 WeakPolarHBondContact O-CB 3.25Å; Q104-C127 PolarHBondContact O-SG 3.33Å; Q104-C127 VanDerWaalsContact O-SG 3.34Å; F105-C127 PolarHBondContact N-SG 3.43Å; F105-C127 VanDerWaalsContact N-SG 3.44Å; G106-C127 PolarHBondContact N-O 2.92Å; D107-C127 PolarHBondContact O-N 3.1Å; C127-W132 HydrophobicContact CB-CD2 4.5Å; C127-W132 HydrophobicContact CB-CE3 3.99Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ3 3.77Å
128G95.9Very high95.3Very high3 Ų369.5 Ų69.53%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-97.8-164.918000000113.3T126 G131T126-G128 PolarHBondContact O-N 3.28Å; G128-G131 CarbonylContact C-O 3.55Å; G128-G131 VanDerWaalsContact CA-O 3.27Å; G128-G131 WeakPolarHBondContact CA-O 3.32Å; G128-G131 PolarHBondContact N-O 2.8Å
129T92.1Very high95.5Very high74 Ų7466.2 Ų66.245%0.45436%0.355SS..THydrogen-bonded Turntrans-75.5-24.4-17655.10000113.5V56 F105V56-T129 HydrophobicContact CG1-CG2 3.31Å; F105-T129 HydrophobicContact CD2-CG2 4.45Å; F105-T129 HydrophobicContact CE2-CG2 3.73Å; F105-T129 HydrophobicContact CZ-CG2 4.31Å
130Q90.4Very high95.5Very high195 Ų19568.5 Ų68.591%0.91136%0.364SS*.THydrogen-bonded Turntrans-118.923.2-178.2-63.9-169.7-16.300112.4
131G93.8Very high95.5Very high21 Ų2167.3 Ų67.322%0.21636%0.357CS..EExtended strand (participates in β ladder)trans108.4-164.9-171.400000112.1C86 G128C86-G131 WeakPolarHBondContact SG-CA 3.34Å; G128-G131 CarbonylContact C-O 3.55Å; G128-G131 VanDerWaalsContact CA-O 3.27Å; G128-G131 WeakPolarHBondContact CA-O 3.32Å; G128-G131 PolarHBondContact N-O 2.8Å
132W96.5Very high95.4Very high39 Ų3964.4 Ų64.415%0.14833%0.327CS..EExtended strand (participates in β ladder)trans-64.9132.3-179.2-63.7105000112.1C86 G87 L89 Y99 T103 A109 I125 C127 D134C86-W132 HydrophobicContact CB-CD2 3.99Å; C86-W132 HydrophobicContact CB-CG 4.11Å; C86-W132 HydrophobicContact CB-CZ2 4.09Å; C86-W132 PolarHBondContact O-NE1 3.42Å; G87-W132 WeakPolarHBondContact O-CZ2 3.35Å; G87-W132 PolarHBondContact O-NE1 3.45Å; L89-W132 HydrophobicContact CB-CD2 4.28Å; L89-W132 HydrophobicContact CB-CG 4.27Å; L89-W132 HydrophobicContact CD1-CB 3.4Å; L89-W132 VanDerWaalsContact CD1-CD1 3.49Å; L89-W132 HydrophobicContact CD1-CD2 3.92Å; L89-W132 HydrophobicContact CD1-CG 3.3Å; L89-W132 HydrophobicContact CG-CG 4.28Å; Y99-W132 AromaticContact CD1-CH2 3.86Å; Y99-W132 HydrophobicContact CD1-CH2 3.86Å; Y99-W132 AromaticContact CD1-CZ2 3.91Å; Y99-W132 HydrophobicContact CD1-CZ2 3.91Å; Y99-W132 AromaticContact CE1-CH2 3.85Å; Y99-W132 HydrophobicContact CE1-CH2 3.85Å; Y99-W132 AromaticContact CE1-CZ2 3.53Å; Y99-W132 HydrophobicContact CE1-CZ2 3.53Å; T103-W132 HydrophobicContact CG2-CH2 4.47Å; T103-W132 HydrophobicContact CG2-CZ2 3.99Å; A109-W132 HydrophobicContact CB-CE3 4.24Å; A109-W132 HydrophobicContact CB-CH2 3.75Å; A109-W132 HydrophobicContact CB-CZ2 4.37Å; A109-W132 HydrophobicContact CB-CZ3 3.68Å; I125-W132 HydrophobicContact CB-CE3 4.43Å; I125-W132 HydrophobicContact CG2-CB 3.91Å; I125-W132 HydrophobicContact CG2-CE3 4.06Å; I125-W132 VanDerWaalsContact O-CZ3 3.26Å; I125-W132 WeakPolarHBondContact O-CZ3 3.45Å; C127-W132 HydrophobicContact CB-CD2 4.5Å; C127-W132 HydrophobicContact CB-CE3 3.99Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ3 3.77Å; W132-D134 PolarHBondContact O-N 2.92Å
133L96Very high95.4Very high111 Ų11163.9 Ų63.958%0.58132%0.324SS*.SBendtrans-73.6-10.5-171.4-68.3-178.9000114.8T126T126-L133 HydrophobicContact CG2-CD1 4.36Å; T126-L133 WeakPolarHBondContact O-CG 3.36Å; T126-L133 PolarHBondContact O-N 2.74Å
134D95Very high95.3Very high60 Ų6061 Ų6132%0.32130%0.304SS..SBendtrans-138.9163.9179.4-71.6-78.7000110.9K122 I125 W132K122-D134 HydrophobicContact CD-CB 4.29Å; K122-D134 WeakPolarHBondContact CD-OD2 3.42Å; K122-D134 IonicContact NZ-OD1 3.69Å; K122-D134 PolarHBondContact NZ-OD1 3.22Å; K122-D134 IonicContact NZ-OD2 2.7Å; K122-D134 PolarHBondContact NZ-OD2 2.79Å; I125-D134 HydrophobicContact CB-CB 4.44Å; I125-D134 HydrophobicContact CD1-CB 3.85Å; I125-D134 HydrophobicContact CG1-CB 4Å; I125-D134 HydrophobicContact CG2-CB 3.77Å; W132-D134 PolarHBondContact O-N 2.92Å
135R92.8Very high95.2Very high230 Ų23063.9 Ų63.987%0.86832%0.321SS*.PPolyproline II helixtrans-84.8155.5174-62.5-176.1-179.1-179.70.2110.8I125I125-R135 WeakPolarHBondContact CD1-O 3.27Å
136L95.4Very high95.1Very high61 Ų6168.3 Ų68.332%0.31934%0.342SS..PPolyproline II helixtrans-53.9132.1173.9-77.3176000111.4L89 E91 V92 V97L89-L136 HydrophobicContact CB-CD2 4.45Å; L89-L136 HydrophobicContact CD1-CD2 4.4Å; L89-L136 HydrophobicContact CD2-CD2 3.55Å; L89-L136 HydrophobicContact CG-CD2 3.48Å; L89-L136 VanDerWaalsContact CG-CD2 3.48Å; L89-L136 HydrophobicContact CG-CG 4.04Å; L89-L136 WeakPolarHBondContact O-CD1 3.23Å; E91-L136 WeakPolarHBondContact O-CD1 3.47Å; V92-L136 HydrophobicContact CG2-CB 4.46Å; V92-L136 HydrophobicContact CG2-CD1 4.42Å; V92-L136 HydrophobicContact CG2-CD2 3.58Å; V92-L136 HydrophobicContact CG2-CG 4.39Å; V97-L136 HydrophobicContact CG2-CD2 4.23Å
137P96.9Very high95Very high13 Ų1366.8 Ų66.88%0.08433%0.333CS..PPolyproline II helixtrans-73.5173.8173.335.7-39000110.7I111 L119 V120 K122I111-P137 HydrophobicContact CB-CG 4.01Å; I111-P137 HydrophobicContact CD1-CG 4.44Å; I111-P137 HydrophobicContact CG1-CG 3.98Å; I111-P137 HydrophobicContact CG2-CG 3.71Å; L119-P137 HydrophobicContact CD1-CB 3.78Å; L119-P137 HydrophobicContact CD1-CG 3.64Å; V120-P137 WeakPolarHBondContact O-CB 3.48Å; K122-P137 WeakPolarHBondContact O-CG 3.5Å
138T97Very high94.6Very high80 Ų8071 Ų7149%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-110138.4176-55.60000110.5V120 E140V120-T138 PolarHBondContact N-O 3.32Å; V120-T138 PolarHBondContact O-N 2.97Å; V120-T138 VanDerWaalsContact O-N 3.08Å; T138-E140 HydrophobicContact CG2-CG 3.95Å
139C96.8Very high94.5Very high8 Ų873.8 Ų73.85%0.05439%0.391CS..EExtended strand (participates in β ladder)trans-97.9103.7168.5-69.60000108.9V92 P93 N94 C113 Y117 K118V92-C139 HydrophobicContact CG1-CB 4.39Å; P93-C139 WeakPolarHBondContact O-CB 3.44Å; N94-C139 HydrophobicContact CB-CB 4.28Å; C113-C139 WeakPolarHBondContact CA-SG 3.4Å; C113-C139 HydrophobicContact CB-CB 3.79Å; C113-C139 WeakPolarHBondContact CB-SG 2.9Å; C113-C139 VanDerWaalsContact SG-CA 3.52Å; C113-C139 WeakPolarHBondContact SG-CB 3.23Å; C113-C139 CovalentContact SG-SG 2.04Å; C113-C139 PolarHBondContact SG-SG 3.23Å; Y117-C139 WeakPolarHBondContact CD1-O 3.09Å; K118-C139 WeakPolarHBondContact O-CA 3.04Å
140E94.9Very high94.7Very high108 Ų10871.4 Ų71.451%0.50538%0.375SS..EExtended strand (participates in β ladder)trans-92.7140-179.6-66.3-172179.100110.7Y117 K118 V120 T138 A142Y117-E140 CarbonylContact C-O 3.53Å; Y117-E140 VanDerWaalsContact CA-O 3.23Å; Y117-E140 WeakPolarHBondContact CA-O 3.05Å; K118-E140 PolarHBondContact N-O 2.96Å; K118-E140 PolarHBondContact O-N 3.03Å; V120-E140 HydrophobicContact CG2-CB 4.22Å; V120-E140 HydrophobicContact CG2-CG 3.87Å; T138-E140 HydrophobicContact CG2-CG 3.95Å; E140-A142 PolarHBondContact O-N 2.04Å
141V94.8Very high95Very high46 Ų4665.8 Ų65.828%0.27936%0.362SS..EExtended strand (participates in β ladder)trans-60.7137.7178.964.90000110.4Y117 K143 T163Y117-V141 HydrophobicContact CD1-CB 4.07Å; Y117-V141 HydrophobicContact CE1-CB 3.82Å; Y117-V141 HydrophobicContact CE1-CG2 4.36Å; V141-K143 HydrophobicContact CG1-CG 4.24Å; V141-K143 PolarHBondContact O-N 2.77Å; V141-T163 HydrophobicContact CG1-CG2 4.08Å; V141-T163 HydrophobicContact CG2-CG2 4.32Å
142A93.2Very high95.1Very high1 Ų168 Ų681%0.00837%0.369CS..PPolyproline II helixtrans-61.8133.1172.600000109.5G116 E140 T163 Y164 N190G116-A142 WeakPolarHBondContact O-CB 3.35Å; G116-A142 PolarHBondContact O-N 3.47Å; E140-A142 PolarHBondContact O-N 2.04Å; A142-T163 CarbonylContact O-C 3.45Å; A142-T163 WeakPolarHBondContact O-CA 3.42Å; A142-Y164 PolarHBondContact O-N 3.04Å; A142-N190 WeakPolarHBondContact CB-OD1 3.49Å
143K94.8Very high95.1Very high103 Ų10366.8 Ų66.845%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-127.6122.6-176.6-70.9179.5172.9-145.70109.9V141 D161 Y162 N190V141-K143 HydrophobicContact CG1-CG 4.24Å; V141-K143 PolarHBondContact O-N 2.77Å; K143-D161 HydrophobicContact CD-CB 4.49Å; K143-D161 WeakPolarHBondContact CD-OD2 3.42Å; K143-D161 WeakPolarHBondContact CE-OD2 3.34Å; K143-D161 IonicContact NZ-OD2 2.67Å; K143-D161 PolarHBondContact NZ-OD2 3.02Å; K143-Y162 CarbonylContact C-O 3.54Å; K143-Y162 VanDerWaalsContact CA-O 3.27Å; K143-Y162 WeakPolarHBondContact CA-O 3.4Å; K143-N190 PolarHBondContact N-OD1 2.94Å; K143-N190 VanDerWaalsContact O-CB 3.23Å; K143-N190 WeakPolarHBondContact O-CB 3.35Å
144C95.3Very high95.2Very high1 Ų167.4 Ų67.41%0.00737%0.37CS..EExtended strand (participates in β ladder)trans-90137170.5-58.60000109.4D161 Y162 C186 T191 F192C144-D161 WeakPolarHBondContact O-CA 3.5Å; C144-Y162 PolarHBondContact N-O 2.85Å; C144-Y162 PolarHBondContact O-N 3.25Å; C144-C186 HydrophobicContact CB-CB 3.79Å; C144-C186 WeakPolarHBondContact CB-SG 3.5Å; C144-C186 PolarHBondContact N-SG 3.48Å; C144-C186 WeakPolarHBondContact SG-CA 3.21Å; C144-C186 WeakPolarHBondContact SG-CB 3.44Å; C144-C186 CovalentContact SG-SG 2.03Å; C144-C186 PolarHBondContact SG-SG 2.83Å; C144-T191 PolarHBondContact SG-N 3.16Å; C144-F192 HydrophobicContact CB-CD2 3.82Å; C144-F192 HydrophobicContact CB-CE2 3.49Å; C144-F192 VanDerWaalsContact CB-CE2 3.49Å; C144-F192 HydrophobicContact CB-CZ 3.98Å
145L95.7Very high95.3Very high142 Ų14265.1 Ų65.174%0.74336%0.358SS*.EExtended strand (participates in β ladder)trans-69154.4169.2-63.5178.3000110.1F192L145-F192 VanDerWaalsContact O-CE2 3.32Å; L145-F192 WeakPolarHBondContact O-CE2 3.43Å
146Q95.6Very high95.5Very high94 Ų9458 Ų5844%0.43934%0.343SS..  trans-44.4126.2175-167.7-178.6-58.800112.2F155 K159 E160 Y162Q146-F155 HydrophobicContact CG-CE2 4.16Å; Q146-F155 HydrophobicContact CG-CZ 3.69Å; Q146-K159 WeakPolarHBondContact CB-O 3.46Å; Q146-K159 WeakPolarHBondContact CG-O 3.02Å; Q146-K159 PolarHBondContact OE1-O 3.23Å; Q146-K159 VanDerWaalsContact OE1-O 3.14Å; Q146-E160 PolarHBondContact N-O 3.39Å; Q146-E160 VanDerWaalsContact N-O 3.1Å; Q146-Y162 HydrophobicContact CB-CE2 4.36Å; Q146-Y162 HydrophobicContact CG-CE2 4.35Å
147P94.3Very high95.5Very high11 Ų1157.6 Ų57.67%0.07134%0.344CS..PPolyproline II helixtrans-71.1157.4-178.332.1-35.1000110.7G149 F155 V168 Y170 I184 F192P147-G149 PolarHBondContact O-N 2.99Å; P147-F155 HydrophobicContact CG-CD2 4.36Å; P147-F155 HydrophobicContact CG-CE1 4.49Å; P147-F155 HydrophobicContact CG-CE2 4.08Å; P147-F155 HydrophobicContact CG-CZ 4.16Å; P147-V168 HydrophobicContact CG-CB 4.48Å; P147-V168 HydrophobicContact CG-CG1 4.12Å; P147-V168 HydrophobicContact CG-CG2 4.25Å; P147-Y170 WeakPolarHBondContact CB-OH 3.41Å; P147-I184 HydrophobicContact CB-CD1 3.66Å; P147-I184 HydrophobicContact CG-CD1 3.97Å; P147-F192 HydrophobicContact CB-CD2 3.84Å; P147-F192 HydrophobicContact CB-CE2 4.04Å; P147-F192 HydrophobicContact CB-CG 4.46Å; P147-F192 HydrophobicContact CG-CD2 4.29Å; P147-F192 HydrophobicContact CG-CE2 4.01Å; P147-F192 HydrophobicContact CG-CZ 4.41Å
148S90.5Very high95.5Very high89 Ų8963.5 Ų63.562%0.62237%0.37SS*.PPolyproline II helixtrans-61.2134.1178.4-48.20000111.3Y170S148-Y170 PolarHBondContact O-OH 2.54Å
149G92.2Very high95.4Very high62 Ų6263.4 Ų63.464%0.63936%0.363SS*.PPolyproline II helixtrans-62155.8167.700000111.6P147P147-G149 PolarHBondContact O-N 2.99Å
150I96.1Very high95.3Very high25 Ų2571 Ų7113%0.12840%0.398CS..  trans-113.8143.4178.763.7171.8000109.9G153 Y170 P196 P197 C199I150-G153 PolarHBondContact O-N 2.87Å; I150-Y170 HydrophobicContact CB-CE1 4.5Å; I150-Y170 HydrophobicContact CD1-CD1 3.48Å; I150-Y170 VanDerWaalsContact CD1-CD1 3.48Å; I150-Y170 HydrophobicContact CD1-CE1 4.25Å; I150-Y170 HydrophobicContact CD1-CG 4.22Å; I150-Y170 HydrophobicContact CG1-CD1 3.76Å; I150-Y170 HydrophobicContact CG1-CE1 4.14Å; I150-Y170 HydrophobicContact CG2-CD1 4.02Å; I150-Y170 HydrophobicContact CG2-CE1 3.68Å; I150-P196 HydrophobicContact CG2-CB 4.07Å; I150-P197 HydrophobicContact CD1-CG 4.31Å; I150-P197 VanDerWaalsContact CG2-O 3.23Å; I150-P197 WeakPolarHBondContact CG2-O 3.06Å; I150-C199 WeakPolarHBondContact CD1-SG 3.48Å
151A96.8Very high95.3Very high77 Ų7768.8 Ų68.864%0.63639%0.39SS*.THydrogen-bonded Turntrans-63.7138.9176.500000110.4G153 C199A151-G153 PolarHBondContact O-N 3.38Å; A151-C199 WeakPolarHBondContact O-CB 3.47Å
152N97.1Very high95.4Very high67 Ų6766.6 Ų66.636%0.35838%0.376SS..THydrogen-bonded Turntrans55.232.6-177.2-53.6-60.2000114.1N173 Y176 C199N152-N173 VanDerWaalsContact C-CG 3.46Å; N152-N173 WeakPolarHBondContact CA-ND2 3.45Å; N152-N173 WeakPolarHBondContact O-CB 3.37Å; N152-N173 PolarHBondContact O-N 2.91Å; N152-Y176 HydrophobicContact CB-CD1 3.71Å; N152-Y176 HydrophobicContact CB-CD2 3.91Å; N152-Y176 HydrophobicContact CB-CE1 3.65Å; N152-Y176 HydrophobicContact CB-CE2 3.85Å; N152-Y176 HydrophobicContact CB-CG 3.85Å; N152-Y176 WeakPolarHBondContact ND2-CE1 3.47Å; N152-C199 HydrophobicContact CB-CB 4.28Å; N152-C199 WeakPolarHBondContact O-CB 3.42Å
153G96.8Very high95.6Very high14 Ų1468.9 Ų68.914%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-156.7176.2174.800000112.2I150 A151 S171I150-G153 PolarHBondContact O-N 2.87Å; A151-G153 PolarHBondContact O-N 3.38Å; G153-S171 CarbonylContact C-O 3.6Å; G153-S171 WeakPolarHBondContact CA-O 3.47Å
154M96.9Very high95.6Very high124 Ų12466.2 Ų66.261%0.61138%0.378SS*.EExtended strand (participates in β ladder)trans-139.6170178.2-62.6-169.8-64.900109.2Y170 S171M154-Y170 WeakPolarHBondContact O-CA 3.41Å; M154-S171 PolarHBondContact N-O 2.72Å; M154-S171 PolarHBondContact O-N 3.24Å
155F97.5Very high95.6Very high12 Ų1274.1 Ų74.15%0.05341%0.407CS..EExtended strand (participates in β ladder)trans-137.2157.3171.368.5-97000111.4Q146 P147 Q158 Y162 V168 E169 Y170Q146-F155 HydrophobicContact CG-CE2 4.16Å; Q146-F155 HydrophobicContact CG-CZ 3.69Å; P147-F155 HydrophobicContact CG-CD2 4.36Å; P147-F155 HydrophobicContact CG-CE1 4.49Å; P147-F155 HydrophobicContact CG-CE2 4.08Å; P147-F155 HydrophobicContact CG-CZ 4.16Å; F155-Q158 HydrophobicContact CD2-CG 4.25Å; F155-Q158 HydrophobicContact CE2-CB 4.46Å; F155-Q158 HydrophobicContact CE2-CG 3.85Å; F155-Q158 HydrophobicContact CZ-CG 4.28Å; F155-Y162 WeakPolarHBondContact CE2-OH 3.38Å; F155-V168 HydrophobicContact CB-CG1 3.58Å; F155-V168 HydrophobicContact CD2-CG1 3.43Å; F155-V168 VanDerWaalsContact CD2-CG1 3.43Å; F155-V168 HydrophobicContact CE2-CG1 4.36Å; F155-V168 HydrophobicContact CG-CG1 3.75Å; F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.33Å; F155-E169 WeakPolarHBondContact CB-O 3.36Å; F155-Y170 HydrophobicContact CB-CD1 3.69Å; F155-Y170 HydrophobicContact CB-CD2 4.36Å; F155-Y170 HydrophobicContact CB-CE1 3.72Å; F155-Y170 HydrophobicContact CB-CE2 4.34Å; F155-Y170 HydrophobicContact CB-CG 4.04Å; F155-Y170 AromaticContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CG-CE1 4.12Å
156S96.7Very high95.7Very high80 Ų8070 Ų7056%0.55938%0.384SS*.EExtended strand (participates in β ladder)trans-144.3146.3178.8-174.50000110.5E169S156-E169 PolarHBondContact N-O 3.45Å; S156-E169 PolarHBondContact O-N 2.93Å
157P96.8Very high95.8Very high52 Ų5268.4 Ų68.434%0.33838%0.381SS..SBendcis-72.5158-6.129.8-31.6000111.7Y162P157-Y162 HydrophobicContact CG-CE1 4.15Å; P157-Y162 PolarHBondContact O-OH 3.18Å
158Q95.4Very high96Very high138 Ų13867.9 Ų67.965%0.64538%0.377SS*.  trans-96.9117.6169.9-66.4-159.6-51.900109.9F155 Y162F155-Q158 HydrophobicContact CD2-CG 4.25Å; F155-Q158 HydrophobicContact CE2-CB 4.46Å; F155-Q158 HydrophobicContact CE2-CG 3.85Å; F155-Q158 HydrophobicContact CZ-CG 4.28Å; Q158-Y162 WeakPolarHBondContact CA-OH 3.31Å
159K95.9Very high96.4Very high77 Ų7767.1 Ų67.134%0.33536%0.364SS..  trans-140.4157178.3-55.8-178.8-173.1174.90109.2Q146 D161 Y162 E166Q146-K159 WeakPolarHBondContact CB-O 3.46Å; Q146-K159 WeakPolarHBondContact CG-O 3.02Å; Q146-K159 PolarHBondContact OE1-O 3.23Å; Q146-K159 VanDerWaalsContact OE1-O 3.14Å; K159-D161 WeakPolarHBondContact CB-O 3.32Å; K159-Y162 HydrophobicContact CB-CD2 4.46Å; K159-Y162 HydrophobicContact CB-CE1 4.14Å; K159-Y162 HydrophobicContact CB-CE2 3.94Å; K159-Y162 HydrophobicContact CD-CD1 4.22Å; K159-Y162 HydrophobicContact CD-CE1 4.14Å; K159-Y162 HydrophobicContact CG-CE1 4.16Å; K159-Y162 PolarHBondContact N-OH 2.93Å; K159-Y162 VanDerWaalsContact O-CE2 3.25Å; K159-Y162 WeakPolarHBondContact O-CE2 3.28Å; K159-E166 IonicContact NZ-OE1 2.78Å; K159-E166 PolarHBondContact NZ-OE1 3.32Å; K159-E166 IonicContact NZ-OE2 3.69Å; K159-E166 PolarHBondContact NZ-OE2 3.36Å
160E94.5Very high96.6Very high167 Ų16764.2 Ų64.278%0.7833%0.334SS*.SBendtrans-68.9-41.9173-64.4-176.3175.800111.4Q146Q146-E160 PolarHBondContact N-O 3.39Å; Q146-E160 VanDerWaalsContact N-O 3.1Å
161D95.4Very high96.7Very high63 Ų6365.7 Ų65.734%0.33735%0.346SS..EExtended strand (participates in β ladder)trans-130.9149.7177.465.8-43.6000113K143 C144 K159K143-D161 HydrophobicContact CD-CB 4.49Å; K143-D161 WeakPolarHBondContact CD-OD2 3.42Å; K143-D161 WeakPolarHBondContact CE-OD2 3.34Å; K143-D161 IonicContact NZ-OD2 2.67Å; K143-D161 PolarHBondContact NZ-OD2 3.02Å; C144-D161 WeakPolarHBondContact O-CA 3.5Å; K159-D161 WeakPolarHBondContact CB-O 3.32Å
162Y96.6Very high96.7Very high0 Ų063.5 Ų63.50%033%0.326CS..EExtended strand (participates in β ladder)trans-126.7129.6178.7-63-101.5000109.2K143 C144 Q146 F155 P157 Q158 K159 E166 V168 C186 F192K143-Y162 CarbonylContact C-O 3.54Å; K143-Y162 VanDerWaalsContact CA-O 3.27Å; K143-Y162 WeakPolarHBondContact CA-O 3.4Å; C144-Y162 PolarHBondContact N-O 2.85Å; C144-Y162 PolarHBondContact O-N 3.25Å; Q146-Y162 HydrophobicContact CB-CE2 4.36Å; Q146-Y162 HydrophobicContact CG-CE2 4.35Å; F155-Y162 WeakPolarHBondContact CE2-OH 3.38Å; P157-Y162 HydrophobicContact CG-CE1 4.15Å; P157-Y162 PolarHBondContact O-OH 3.18Å; Q158-Y162 WeakPolarHBondContact CA-OH 3.31Å; K159-Y162 HydrophobicContact CB-CD2 4.46Å; K159-Y162 HydrophobicContact CB-CE1 4.14Å; K159-Y162 HydrophobicContact CB-CE2 3.94Å; K159-Y162 HydrophobicContact CD-CD1 4.22Å; K159-Y162 HydrophobicContact CD-CE1 4.14Å; K159-Y162 HydrophobicContact CG-CE1 4.16Å; K159-Y162 PolarHBondContact N-OH 2.93Å; K159-Y162 VanDerWaalsContact O-CE2 3.25Å; K159-Y162 WeakPolarHBondContact O-CE2 3.28Å; Y162-E166 WeakPolarHBondContact CA-OE2 3.47Å; Y162-E166 HydrophobicContact CD1-CB 4.3Å; Y162-V168 HydrophobicContact CD1-CG2 3.71Å; Y162-V168 HydrophobicContact CE1-CG2 3.21Å; Y162-V168 HydrophobicContact CE2-CG2 4.44Å; Y162-V168 HydrophobicContact CG-CG2 4.47Å; Y162-C186 PolarHBondContact O-SG 2.85Å; Y162-C186 VanDerWaalsContact O-SG 3.39Å; Y162-F192 HydrophobicContact CD1-CZ 4.07Å; Y162-F192 HydrophobicContact CD2-CE2 4.02Å; Y162-F192 AromaticContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CE2-CZ 4.32Å; Y162-F192 HydrophobicContact CG-CE1 4.49Å; Y162-F192 HydrophobicContact CG-CE2 4.31Å; Y162-F192 AromaticContact CG-CZ 3.54Å; Y162-F192 HydrophobicContact CG-CZ 3.54Å
163T96.3Very high96.7Very high49 Ų4963.6 Ų63.630%0.30133%0.327SS..EExtended strand (participates in β ladder)trans-79.3163.4179.455.20000111.5V141 A142 R165 E166 C186V141-T163 HydrophobicContact CG1-CG2 4.08Å; V141-T163 HydrophobicContact CG2-CG2 4.32Å; A142-T163 CarbonylContact O-C 3.45Å; A142-T163 WeakPolarHBondContact O-CA 3.42Å; T163-R165 PolarHBondContact O-N 2.03Å; T163-E166 PolarHBondContact N-OE2 2.64Å; T163-E166 VanDerWaalsContact O-CB 3.28Å; T163-E166 WeakPolarHBondContact O-CB 3.01Å; T163-E166 WeakPolarHBondContact O-CG 3.45Å; T163-E166 PolarHBondContact O-N 3.48Å; T163-E166 WeakPolarHBondContact OG1-CG 3.34Å; T163-C186 WeakPolarHBondContact O-CB 3.35Å
164Y95.8Very high96.6Very high46 Ų4671.3 Ų71.318%0.1836%0.356CS..THydrogen-bonded Turntrans-46.1130.7178.1178.4-118.5000112.5T115 G116 A142 E166 E188T115-Y164 HydrophobicContact CG2-CE1 4.31Å; G116-Y164 VanDerWaalsContact CA-CD1 3.43Å; G116-Y164 VanDerWaalsContact CA-CG 3.45Å; A142-Y164 PolarHBondContact O-N 3.04Å; Y164-E166 PolarHBondContact O-N 3.08Å; Y164-E188 HydrophobicContact CD2-CB 4.4Å; Y164-E188 HydrophobicContact CE2-CB 4.15Å
165R95.8Very high96.3Very high168 Ų16869.1 Ų69.163%0.63435%0.347SS*.THydrogen-bonded Turntrans66.16-175.5-60.7-178.2177.8-151.80.4116.6T163 T185 C186T163-R165 PolarHBondContact O-N 2.03Å; R165-T185 HydrophobicContact CB-CG2 4.5Å; R165-C186 PolarHBondContact N-O 3.32Å
166E97.4Very high96.2Very high55 Ų5572 Ų7226%0.25736%0.358SS..  trans-64.7141.4166-73.1-161.5149.700110.7K159 Y162 T163 Y164 T185 C186K159-E166 IonicContact NZ-OE1 2.78Å; K159-E166 PolarHBondContact NZ-OE1 3.32Å; K159-E166 IonicContact NZ-OE2 3.69Å; K159-E166 PolarHBondContact NZ-OE2 3.36Å; Y162-E166 WeakPolarHBondContact CA-OE2 3.47Å; Y162-E166 HydrophobicContact CD1-CB 4.3Å; T163-E166 PolarHBondContact N-OE2 2.64Å; T163-E166 VanDerWaalsContact O-CB 3.28Å; T163-E166 WeakPolarHBondContact O-CB 3.01Å; T163-E166 WeakPolarHBondContact O-CG 3.45Å; T163-E166 PolarHBondContact O-N 3.48Å; T163-E166 WeakPolarHBondContact OG1-CG 3.34Å; Y164-E166 PolarHBondContact O-N 3.08Å; E166-T185 WeakPolarHBondContact O-CA 3.42Å; E166-C186 PolarHBondContact O-N 3Å
167V97.6Very high96.2Very high60 Ų6069.4 Ų69.436%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-111.2135.4-175.5179.70000109.4Q183 I184 T185V167-Q183 HydrophobicContact CG1-CB 3.83Å; V167-Q183 HydrophobicContact CG1-CG 4Å; V167-I184 WeakPolarHBondContact CA-O 3Å; V167-T185 HydrophobicContact CG2-CG2 4.33Å
168V97.9Very high96.2Very high0 Ų069.2 Ų69.20%033%0.334CS..EExtended strand (participates in β ladder)trans-110.1131169.3171.50000108.5P147 F155 Y162 Y170 Q183 I184 F192P147-V168 HydrophobicContact CG-CB 4.48Å; P147-V168 HydrophobicContact CG-CG1 4.12Å; P147-V168 HydrophobicContact CG-CG2 4.25Å; F155-V168 HydrophobicContact CB-CG1 3.58Å; F155-V168 HydrophobicContact CD2-CG1 3.43Å; F155-V168 VanDerWaalsContact CD2-CG1 3.43Å; F155-V168 HydrophobicContact CE2-CG1 4.36Å; F155-V168 HydrophobicContact CG-CG1 3.75Å; Y162-V168 HydrophobicContact CD1-CG2 3.71Å; Y162-V168 HydrophobicContact CE1-CG2 3.21Å; Y162-V168 HydrophobicContact CE2-CG2 4.44Å; Y162-V168 HydrophobicContact CG-CG2 4.47Å; V168-Y170 HydrophobicContact CG1-CD2 4.47Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; V168-Q183 WeakPolarHBondContact O-CA 3.43Å; V168-I184 HydrophobicContact CB-CD1 4.33Å; V168-I184 HydrophobicContact CB-CG1 3.85Å; V168-I184 HydrophobicContact CG1-CG1 4.4Å; V168-I184 PolarHBondContact N-O 3.32Å; V168-I184 PolarHBondContact O-N 3.1Å; V168-F192 HydrophobicContact CB-CE1 4.37Å; V168-F192 HydrophobicContact CG2-CE1 3.88Å; V168-F192 HydrophobicContact CG2-CZ 3.86Å
169E98.1Very high96.3Very high73 Ų7366.2 Ų66.234%0.34132%0.323SS..EExtended strand (participates in β ladder)trans-108.5128.9177.8-170.2168.8-132.400111F155 S156 K182 Q183F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.33Å; F155-E169 WeakPolarHBondContact CB-O 3.36Å; S156-E169 PolarHBondContact N-O 3.45Å; S156-E169 PolarHBondContact O-N 2.93Å; E169-K182 WeakPolarHBondContact CA-O 3.1Å; E169-K182 VanDerWaalsContact CD-CE 3.5Å; E169-K182 HydrophobicContact CG-CD 4.15Å; E169-K182 HydrophobicContact CG-CG 3.99Å; E169-K182 VanDerWaalsContact OE1-CD 3.27Å; E169-K182 WeakPolarHBondContact OE1-CD 3.42Å; E169-K182 WeakPolarHBondContact OE1-CE 3.37Å; E169-K182 IonicContact OE1-NZ 3.85Å; E169-K182 PolarHBondContact OE1-NZ 2.89Å; E169-K182 IonicContact OE2-NZ 3.14Å; E169-Q183 HydrophobicContact CB-CG 4.15Å; E169-Q183 HydrophobicContact CG-CG 3.94Å; E169-Q183 PolarHBondContact OE1-NE2 3.06Å; E169-Q183 VanDerWaalsContact OE1-NE2 3.12Å
170Y98.1Very high96.3Very high1 Ų165.1 Ų65.10%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-93.7146.5176-73.1-94.3000111.8P147 S148 I150 M154 F155 V168 K182 I184 P196 P197P147-Y170 WeakPolarHBondContact CB-OH 3.41Å; S148-Y170 PolarHBondContact O-OH 2.54Å; I150-Y170 HydrophobicContact CB-CE1 4.5Å; I150-Y170 HydrophobicContact CD1-CD1 3.48Å; I150-Y170 VanDerWaalsContact CD1-CD1 3.48Å; I150-Y170 HydrophobicContact CD1-CE1 4.25Å; I150-Y170 HydrophobicContact CD1-CG 4.22Å; I150-Y170 HydrophobicContact CG1-CD1 3.76Å; I150-Y170 HydrophobicContact CG1-CE1 4.14Å; I150-Y170 HydrophobicContact CG2-CD1 4.02Å; I150-Y170 HydrophobicContact CG2-CE1 3.68Å; M154-Y170 WeakPolarHBondContact O-CA 3.41Å; F155-Y170 HydrophobicContact CB-CD1 3.69Å; F155-Y170 HydrophobicContact CB-CD2 4.36Å; F155-Y170 HydrophobicContact CB-CE1 3.72Å; F155-Y170 HydrophobicContact CB-CE2 4.34Å; F155-Y170 HydrophobicContact CB-CG 4.04Å; F155-Y170 AromaticContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CG-CE1 4.12Å; V168-Y170 HydrophobicContact CG1-CD2 4.47Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; Y170-K182 PolarHBondContact N-O 2.86Å; Y170-K182 WeakPolarHBondContact O-CG 3.05Å; Y170-I184 HydrophobicContact CE2-CD1 3.48Å; Y170-I184 VanDerWaalsContact CE2-CD1 3.48Å; Y170-I184 HydrophobicContact CE2-CG1 3.83Å; Y170-I184 HydrophobicContact CE2-CG2 4.21Å; Y170-P196 HydrophobicContact CE1-CB 4.31Å; Y170-P196 HydrophobicContact CE2-CB 4.31Å; Y170-P197 HydrophobicContact CD1-CG 4.24Å; Y170-P197 VanDerWaalsContact CD2-CD 3.49Å; Y170-P197 HydrophobicContact CD2-CG 3.95Å; Y170-P197 HydrophobicContact CG-CG 3.66Å
171S97.4Very high96.4Very high57 Ų5759.9 Ų59.940%0.39932%0.316SS..EExtended strand (participates in β ladder)trans-133.5147.7171.560.50000109.7G153 M154G153-S171 CarbonylContact C-O 3.6Å; G153-S171 WeakPolarHBondContact CA-O 3.47Å; M154-S171 PolarHBondContact N-O 2.72Å; M154-S171 PolarHBondContact O-N 3.24Å
172C97.6Very high96.5Very high31 Ų3162 Ų6221%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-94.5150.5172.3-63.80000110.5L178 C199C172-L178 WeakPolarHBondContact SG-CA 3.18Å; C172-C199 WeakPolarHBondContact CA-SG 3.38Å; C172-C199 HydrophobicContact CB-CB 3.77Å; C172-C199 WeakPolarHBondContact CB-SG 3.5Å; C172-C199 WeakPolarHBondContact SG-CA 3.24Å; C172-C199 WeakPolarHBondContact SG-CB 3.4Å; C172-C199 CovalentContact SG-SG 2.03Å; C172-C199 PolarHBondContact SG-SG 3.12Å
173N97Very high96.5Very high69 Ų6966.7 Ų66.737%0.36934%0.343SS..PPolyproline II helixtrans-58.9163.2168.9-69.1-8.2000110N152 D175 Y176N152-N173 VanDerWaalsContact C-CG 3.46Å; N152-N173 WeakPolarHBondContact CA-ND2 3.45Å; N152-N173 WeakPolarHBondContact O-CB 3.37Å; N152-N173 PolarHBondContact O-N 2.91Å; N173-D175 PolarHBondContact O-N 2.93Å; N173-Y176 HydrophobicContact CB-CD2 4.29Å; N173-Y176 PolarHBondContact O-N 3.35Å; N173-Y176 VanDerWaalsContact O-N 3.13Å
174K93.9Very high96.6Very high175 Ų17564.3 Ų64.376%0.76133%0.329SS*.THydrogen-bonded Turntrans-49.3137.2178.6-167.7-172171.2-177.70110.9Y176K174-Y176 WeakPolarHBondContact O-CD2 3.37Å; K174-Y176 PolarHBondContact O-N 3.26Å
175D90.8Very high96.7Very high79 Ų7963.9 Ų63.942%0.42233%0.331SS..THydrogen-bonded Turntrans70.8-3.5178.1-52.4-52.1000116.3N173 W201N173-D175 PolarHBondContact O-N 2.93Å; D175-W201 HydrophobicContact CB-CE3 4.26Å; D175-W201 HydrophobicContact CB-CH2 4.23Å; D175-W201 HydrophobicContact CB-CZ3 3.54Å
176Y96.1Very high96.8Very high73 Ų7355.9 Ų55.929%0.28630%0.301SS..EExtended strand (participates in β ladder)trans-91146.6171.2-74-99.3000111.8N152 N173 K174 C199 W201N152-Y176 HydrophobicContact CB-CD1 3.71Å; N152-Y176 HydrophobicContact CB-CD2 3.91Å; N152-Y176 HydrophobicContact CB-CE1 3.65Å; N152-Y176 HydrophobicContact CB-CE2 3.85Å; N152-Y176 HydrophobicContact CB-CG 3.85Å; N152-Y176 WeakPolarHBondContact ND2-CE1 3.47Å; N173-Y176 HydrophobicContact CB-CD2 4.29Å; N173-Y176 PolarHBondContact O-N 3.35Å; N173-Y176 VanDerWaalsContact O-N 3.13Å; K174-Y176 WeakPolarHBondContact O-CD2 3.37Å; K174-Y176 PolarHBondContact O-N 3.26Å; Y176-C199 HydrophobicContact CD1-CB 4.34Å; Y176-W201 HydrophobicContact CD1-CB 4.45Å; Y176-W201 HydrophobicContact CE1-CB 4.15Å; Y176-W201 HydrophobicContact CE2-CE3 4.26Å
177T96.4Very high96.6Very high24 Ų2456.5 Ų56.515%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-103.7131.7177.3-62.80000110.1N179 I200 V202 H224 I248T177-N179 PolarHBondContact O-N 2.87Å; T177-I200 PolarHBondContact N-O 2.81Å; T177-I200 PolarHBondContact O-N 2.86Å; T177-V202 HydrophobicContact CG2-CG2 4.45Å; T177-H224 HydrophobicContact CG2-CB 3.95Å; T177-H224 WeakPolarHBondContact CG2-ND1 3.44Å; T177-H224 WeakPolarHBondContact OG1-CB 3.23Å; T177-I248 HydrophobicContact CG2-CD1 4.31Å; T177-I248 HydrophobicContact CG2-CG1 4.47Å
178L96.7Very high96.3Very high48 Ų4858.8 Ų58.825%0.25131%0.311SS..EExtended strand (participates in β ladder)trans-74122174.7-169.2119.9000110.4C172 G180 K182 P197C172-L178 WeakPolarHBondContact SG-CA 3.18Å; L178-G180 WeakPolarHBondContact CD2-O 3.43Å; L178-K182 HydrophobicContact CD2-CB 3.88Å; L178-K182 HydrophobicContact CD2-CG 4.26Å; L178-P197 HydrophobicContact CD1-CB 4.19Å; L178-P197 HydrophobicContact CD1-CG 3.85Å; L178-P197 HydrophobicContact CD2-CB 4.27Å; L178-P197 HydrophobicContact CG-CB 4.03Å; L178-P197 HydrophobicContact CG-CG 4.25Å
179N96.6Very high95.9Very high75 Ų7562.9 Ų62.940%0.40133%0.333SS..EExtended strand (participates in β ladder)trans-111.5115.5175.1-173.318000109.9T177 P197 S198 I200 I248T177-N179 PolarHBondContact O-N 2.87Å; N179-P197 WeakPolarHBondContact O-CA 3.44Å; N179-P197 VanDerWaalsContact O-CB 3.31Å; N179-P197 WeakPolarHBondContact O-CB 3.45Å; N179-S198 PolarHBondContact N-O 2.67Å; N179-S198 PolarHBondContact O-N 2.91Å; N179-I200 HydrophobicContact CB-CD1 4.19Å; N179-I200 HydrophobicContact CB-CG1 4.27Å; N179-I248 HydrophobicContact CB-CD1 3.77Å; N179-I248 HydrophobicContact CB-CG1 4.5Å; N179-I248 WeakPolarHBondContact OD1-CD1 3.07Å
180G95.9Very high95.6Very high54 Ų5462.4 Ų62.456%0.55733%0.333SS*.SBendtrans107.7-163.8-174.300000112.9L178L178-G180 WeakPolarHBondContact CD2-O 3.43Å
181S97.4Very high95.4Very high58 Ų5865 Ų6541%0.40635%0.348SS..  trans-77.4125.8-175.9-63.90000111.7Q183 P194 P197S181-Q183 PolarHBondContact O-N 2.91Å; S181-P194 VanDerWaalsContact OG-CG 3.29Å; S181-P194 WeakPolarHBondContact OG-CG 3.32Å; S181-P197 WeakPolarHBondContact O-CB 3.29Å; S181-P197 WeakPolarHBondContact O-CD 3.35Å; S181-P197 VanDerWaalsContact O-CG 3.26Å; S181-P197 WeakPolarHBondContact O-CG 3.27Å
182K96.9Very high95.3Very high106 Ų10663.4 Ų63.446%0.46133%0.334SS..SBendtrans-62.8-30.2176.5-163.8-170178.3-153.50112.3E169 Y170 L178E169-K182 WeakPolarHBondContact CA-O 3.1Å; E169-K182 VanDerWaalsContact CD-CE 3.5Å; E169-K182 HydrophobicContact CG-CD 4.15Å; E169-K182 HydrophobicContact CG-CG 3.99Å; E169-K182 VanDerWaalsContact OE1-CD 3.27Å; E169-K182 WeakPolarHBondContact OE1-CD 3.42Å; E169-K182 WeakPolarHBondContact OE1-CE 3.37Å; E169-K182 IonicContact OE1-NZ 3.85Å; E169-K182 PolarHBondContact OE1-NZ 2.89Å; E169-K182 IonicContact OE2-NZ 3.14Å; Y170-K182 PolarHBondContact N-O 2.86Å; Y170-K182 WeakPolarHBondContact O-CG 3.05Å; L178-K182 HydrophobicContact CD2-CB 3.88Å; L178-K182 HydrophobicContact CD2-CG 4.26Å
183Q98.1Very high95.3Very high99 Ų9967.3 Ų67.346%0.46335%0.348SS..EExtended strand (participates in β ladder)trans-121142.9-176-68.7174.421.500110.8V167 V168 E169 S181V167-Q183 HydrophobicContact CG1-CB 3.83Å; V167-Q183 HydrophobicContact CG1-CG 4Å; V168-Q183 WeakPolarHBondContact O-CA 3.43Å; E169-Q183 HydrophobicContact CB-CG 4.15Å; E169-Q183 HydrophobicContact CG-CG 3.94Å; E169-Q183 PolarHBondContact OE1-NE2 3.06Å; E169-Q183 VanDerWaalsContact OE1-NE2 3.12Å; S181-Q183 PolarHBondContact O-N 2.91Å
184I97.8Very high95.2Very high0 Ų066.7 Ų66.70%035%0.348CS..EExtended strand (participates in β ladder)trans-126.8145.5171.166.6175.6000109P147 V167 V168 Y170 F192 P194 P196P147-I184 HydrophobicContact CB-CD1 3.66Å; P147-I184 HydrophobicContact CG-CD1 3.97Å; V167-I184 WeakPolarHBondContact CA-O 3Å; V168-I184 HydrophobicContact CB-CD1 4.33Å; V168-I184 HydrophobicContact CB-CG1 3.85Å; V168-I184 HydrophobicContact CG1-CG1 4.4Å; V168-I184 PolarHBondContact N-O 3.32Å; V168-I184 PolarHBondContact O-N 3.1Å; Y170-I184 HydrophobicContact CE2-CD1 3.48Å; Y170-I184 VanDerWaalsContact CE2-CD1 3.48Å; Y170-I184 HydrophobicContact CE2-CG1 3.83Å; Y170-I184 HydrophobicContact CE2-CG2 4.21Å; I184-F192 HydrophobicContact CB-CB 4.22Å; I184-F192 HydrophobicContact CB-CD1 4.15Å; I184-F192 HydrophobicContact CD1-CB 3.66Å; I184-F192 HydrophobicContact CD1-CD1 3.73Å; I184-F192 HydrophobicContact CD1-CD2 4.27Å; I184-F192 HydrophobicContact CD1-CE1 4.42Å; I184-F192 HydrophobicContact CD1-CG 3.63Å; I184-F192 HydrophobicContact CG1-CB 4.11Å; I184-F192 HydrophobicContact CG1-CD1 3.58Å; I184-F192 HydrophobicContact CG1-CE1 4.21Å; I184-F192 HydrophobicContact CG1-CG 4Å; I184-P194 HydrophobicContact CG2-CG 4.47Å; I184-P194 WeakPolarHBondContact CG2-O 3.31Å; I184-P196 HydrophobicContact CD1-CG 4.42Å
185T97.6Very high95.3Very high37 Ų3762.5 Ų62.523%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-120.1137.1-174.1-54.50000110.2R165 E166 V167 E187 F192 K193R165-T185 HydrophobicContact CB-CG2 4.5Å; E166-T185 WeakPolarHBondContact O-CA 3.42Å; V167-T185 HydrophobicContact CG2-CG2 4.33Å; T185-E187 PolarHBondContact O-N 3.39Å; T185-F192 VanDerWaalsContact C-CD1 3.42Å; T185-F192 CarbonylContact O-C 3.58Å; T185-F192 VanDerWaalsContact O-CA 3.32Å; T185-F192 WeakPolarHBondContact O-CA 3.31Å; T185-K193 PolarHBondContact N-O 3.32Å; T185-K193 PolarHBondContact O-N 2.85Å
186C97.1Very high95.6Very high0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-72.6118.9174.8178.40000110.8C144 Y162 T163 R165 E166 F192C144-C186 HydrophobicContact CB-CB 3.79Å; C144-C186 WeakPolarHBondContact CB-SG 3.5Å; C144-C186 PolarHBondContact N-SG 3.48Å; C144-C186 WeakPolarHBondContact SG-CA 3.21Å; C144-C186 WeakPolarHBondContact SG-CB 3.44Å; C144-C186 CovalentContact SG-SG 2.03Å; C144-C186 PolarHBondContact SG-SG 2.83Å; Y162-C186 PolarHBondContact O-SG 2.85Å; Y162-C186 VanDerWaalsContact O-SG 3.39Å; T163-C186 WeakPolarHBondContact O-CB 3.35Å; R165-C186 PolarHBondContact N-O 3.32Å; E166-C186 PolarHBondContact O-N 3Å; C186-F192 HydrophobicContact CB-CD1 4.26Å; C186-F192 HydrophobicContact CB-CE1 3.87Å; C186-F192 HydrophobicContact CB-CZ 4.22Å
187E94.8Very high95.6Very high68 Ų6857.7 Ų57.732%0.31832%0.322SS..  trans-96.1167.5-179.3-67.8-63.5163.800112.7T185 N189 N190 T191 K193T185-E187 PolarHBondContact O-N 3.39Å; E187-N189 PolarHBondContact O-N 2.89Å; E187-N189 VanDerWaalsContact O-N 3.08Å; E187-N190 PolarHBondContact O-N 3.13Å; E187-T191 WeakPolarHBondContact CB-O 3.26Å; E187-T191 PolarHBondContact N-O 2.92Å; E187-K193 HydrophobicContact CG-CB 3.87Å; E187-K193 HydrophobicContact CG-CG 3.91Å
188E90.4Very high95.7Very high107 Ų10759.9 Ų59.950%0.534%0.338SS..THydrogen-bonded Turntrans-59.7-22.6-177.865.1-178.9-172.400114K118 Y164 N190K118-E188 WeakPolarHBondContact CE-O 3.45Å; Y164-E188 HydrophobicContact CD2-CB 4.4Å; Y164-E188 HydrophobicContact CE2-CB 4.15Å; E188-N190 PolarHBondContact O-N 3.38Å
189N89.1Confident95.7Very high87 Ų8758.3 Ų58.347%0.46533%0.331SS..THydrogen-bonded Turntrans-83.610.7178.669.9-6.4000113.3E187 T191E187-N189 PolarHBondContact O-N 2.89Å; E187-N189 VanDerWaalsContact O-N 3.08Å; N189-T191 VanDerWaalsContact C-N 3.27Å; N189-T191 PolarHBondContact ND2-OG1 2.03Å; N189-T191 VanDerWaalsContact ND2-OG1 3.1Å; N189-T191 PolarHBondContact O-N 3.2Å; N189-T191 WeakPolarHBondContact OD1-CB 3.47Å; N189-T191 PolarHBondContact OD1-N 2.96Å; N189-T191 PolarHBondContact OD1-OG1 2.79Å
190N92.2Very high95.7Very high63 Ų6357 Ų5734%0.33732%0.324SS..SBendtrans63.527.8-175-59.9-1.3000113.4K118 A142 K143 E187 E188K118-N190 WeakPolarHBondContact CE-OD1 3.02Å; K118-N190 PolarHBondContact NZ-ND2 2.8Å; K118-N190 PolarHBondContact NZ-OD1 2.8Å; A142-N190 WeakPolarHBondContact CB-OD1 3.49Å; K143-N190 PolarHBondContact N-OD1 2.94Å; K143-N190 VanDerWaalsContact O-CB 3.23Å; K143-N190 WeakPolarHBondContact O-CB 3.35Å; E187-N190 PolarHBondContact O-N 3.13Å; E188-N190 PolarHBondContact O-N 3.38Å
191T93.6Very high95.7Very high55 Ų5559.8 Ų59.834%0.33732%0.318SS..  trans-124.8148.5175.171.80000111.1C144 E187 N189C144-T191 PolarHBondContact SG-N 3.16Å; E187-T191 WeakPolarHBondContact CB-O 3.26Å; E187-T191 PolarHBondContact N-O 2.92Å; N189-T191 VanDerWaalsContact C-N 3.27Å; N189-T191 PolarHBondContact ND2-OG1 2.03Å; N189-T191 VanDerWaalsContact ND2-OG1 3.1Å; N189-T191 PolarHBondContact O-N 3.2Å; N189-T191 WeakPolarHBondContact OD1-CB 3.47Å; N189-T191 PolarHBondContact OD1-N 2.96Å; N189-T191 PolarHBondContact OD1-OG1 2.79Å
192F96.5Very high95.7Very high23 Ų2357 Ų5710%0.10130%0.298CS..EExtended strand (participates in β ladder)trans-78.1136.4171.1-80.3-78.2000111.4C144 L145 P147 Y162 V168 I184 T185 C186C144-F192 HydrophobicContact CB-CD2 3.82Å; C144-F192 HydrophobicContact CB-CE2 3.49Å; C144-F192 VanDerWaalsContact CB-CE2 3.49Å; C144-F192 HydrophobicContact CB-CZ 3.98Å; L145-F192 VanDerWaalsContact O-CE2 3.32Å; L145-F192 WeakPolarHBondContact O-CE2 3.43Å; P147-F192 HydrophobicContact CB-CD2 3.84Å; P147-F192 HydrophobicContact CB-CE2 4.04Å; P147-F192 HydrophobicContact CB-CG 4.46Å; P147-F192 HydrophobicContact CG-CD2 4.29Å; P147-F192 HydrophobicContact CG-CE2 4.01Å; P147-F192 HydrophobicContact CG-CZ 4.41Å; Y162-F192 HydrophobicContact CD1-CZ 4.07Å; Y162-F192 HydrophobicContact CD2-CE2 4.02Å; Y162-F192 AromaticContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CE2-CZ 4.32Å; Y162-F192 HydrophobicContact CG-CE1 4.49Å; Y162-F192 HydrophobicContact CG-CE2 4.31Å; Y162-F192 AromaticContact CG-CZ 3.54Å; Y162-F192 HydrophobicContact CG-CZ 3.54Å; V168-F192 HydrophobicContact CB-CE1 4.37Å; V168-F192 HydrophobicContact CG2-CE1 3.88Å; V168-F192 HydrophobicContact CG2-CZ 3.86Å; I184-F192 HydrophobicContact CB-CB 4.22Å; I184-F192 HydrophobicContact CB-CD1 4.15Å; I184-F192 HydrophobicContact CD1-CB 3.66Å; I184-F192 HydrophobicContact CD1-CD1 3.73Å; I184-F192 HydrophobicContact CD1-CD2 4.27Å; I184-F192 HydrophobicContact CD1-CE1 4.42Å; I184-F192 HydrophobicContact CD1-CG 3.63Å; I184-F192 HydrophobicContact CG1-CB 4.11Å; I184-F192 HydrophobicContact CG1-CD1 3.58Å; I184-F192 HydrophobicContact CG1-CE1 4.21Å; I184-F192 HydrophobicContact CG1-CG 4Å; T185-F192 VanDerWaalsContact C-CD1 3.42Å; T185-F192 CarbonylContact O-C 3.58Å; T185-F192 VanDerWaalsContact O-CA 3.32Å; T185-F192 WeakPolarHBondContact O-CA 3.31Å; C186-F192 HydrophobicContact CB-CD1 4.26Å; C186-F192 HydrophobicContact CB-CE1 3.87Å; C186-F192 HydrophobicContact CB-CZ 4.22Å
193K96.1Very high95.7Very high113 Ų11356.2 Ų56.249%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-132.6139.7172.2-64.8-65.4176.8-175.40111.3T185 E187T185-K193 PolarHBondContact N-O 3.32Å; T185-K193 PolarHBondContact O-N 2.85Å; E187-K193 HydrophobicContact CG-CB 3.87Å; E187-K193 HydrophobicContact CG-CG 3.91Å
194P96.4Very high95.7Very high57 Ų5751.6 Ų51.637%0.3728%0.275SS..SBendcis-67.9-176.7-9.430.7-35.6000112.3S181 I184S181-P194 VanDerWaalsContact OG-CG 3.29Å; S181-P194 WeakPolarHBondContact OG-CG 3.32Å; I184-P194 HydrophobicContact CG2-CG 4.47Å; I184-P194 WeakPolarHBondContact CG2-O 3.31Å
195S94.9Very high95.6Very high87 Ų8760.6 Ų60.661%0.60831%0.314SS*.  trans-63.4153.7174.752.30000111.6
196P96.4Very high95.5Very high46 Ų4663.1 Ų63.130%0.29933%0.326SS..  trans-51.6143.2175.2-27.735.5000112.8I150 Y170 I184I150-P196 HydrophobicContact CG2-CB 4.07Å; Y170-P196 HydrophobicContact CE1-CB 4.31Å; Y170-P196 HydrophobicContact CE2-CB 4.31Å; I184-P196 HydrophobicContact CD1-CG 4.42Å
197P97.3Very high95.3Very high5 Ų563.5 Ų63.53%0.03233%0.329CS..  trans-74.1179176.932.6-35.1000111.6I150 Y170 L178 N179 S181I150-P197 HydrophobicContact CD1-CG 4.31Å; I150-P197 VanDerWaalsContact CG2-O 3.23Å; I150-P197 WeakPolarHBondContact CG2-O 3.06Å; Y170-P197 HydrophobicContact CD1-CG 4.24Å; Y170-P197 VanDerWaalsContact CD2-CD 3.49Å; Y170-P197 HydrophobicContact CD2-CG 3.95Å; Y170-P197 HydrophobicContact CG-CG 3.66Å; L178-P197 HydrophobicContact CD1-CB 4.19Å; L178-P197 HydrophobicContact CD1-CG 3.85Å; L178-P197 HydrophobicContact CD2-CB 4.27Å; L178-P197 HydrophobicContact CG-CB 4.03Å; L178-P197 HydrophobicContact CG-CG 4.25Å; N179-P197 WeakPolarHBondContact O-CA 3.44Å; N179-P197 VanDerWaalsContact O-CB 3.31Å; N179-P197 WeakPolarHBondContact O-CB 3.45Å; S181-P197 WeakPolarHBondContact O-CB 3.29Å; S181-P197 WeakPolarHBondContact O-CD 3.35Å; S181-P197 VanDerWaalsContact O-CG 3.26Å; S181-P197 WeakPolarHBondContact O-CG 3.27Å
198S97.2Very high95.3Very high69 Ų6966.1 Ų66.148%0.48335%0.349SS..EExtended strand (participates in β ladder)trans-121.7144.9171.3-65.20000111N179N179-S198 PolarHBondContact N-O 2.67Å; N179-S198 PolarHBondContact O-N 2.91Å
199C97.8Very high95.6Very high15 Ų1561.8 Ų61.810%0.10133%0.329CS..EExtended strand (participates in β ladder)trans-99116.8172.8-67.20000109.7I150 A151 N152 C172 Y176I150-C199 WeakPolarHBondContact CD1-SG 3.48Å; A151-C199 WeakPolarHBondContact O-CB 3.47Å; N152-C199 HydrophobicContact CB-CB 4.28Å; N152-C199 WeakPolarHBondContact O-CB 3.42Å; C172-C199 WeakPolarHBondContact CA-SG 3.38Å; C172-C199 HydrophobicContact CB-CB 3.77Å; C172-C199 WeakPolarHBondContact CB-SG 3.5Å; C172-C199 WeakPolarHBondContact SG-CA 3.24Å; C172-C199 WeakPolarHBondContact SG-CB 3.4Å; C172-C199 CovalentContact SG-SG 2.03Å; C172-C199 PolarHBondContact SG-SG 3.12Å; Y176-C199 HydrophobicContact CD1-CB 4.34Å
200I96.9Very high95.9Very high48 Ų4862 Ų6225%0.24634%0.336CS..EExtended strand (participates in β ladder)trans-118.3146.4-175.363.6167.4000111.3T177 N179 V202 I248T177-I200 PolarHBondContact N-O 2.81Å; T177-I200 PolarHBondContact O-N 2.86Å; N179-I200 HydrophobicContact CB-CD1 4.19Å; N179-I200 HydrophobicContact CB-CG1 4.27Å; I200-V202 HydrophobicContact CD1-CG2 3.88Å; I200-V202 HydrophobicContact CG1-CG2 3.95Å; I200-I248 HydrophobicContact CD1-CD1 4.3Å; I200-I248 HydrophobicContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-O 3.25Å; I200-I248 WeakPolarHBondContact CD1-O 3.4Å; I200-I248 HydrophobicContact CG1-CG1 4.41Å
201W96.3Very high96.1Very high113 Ų11362 Ų6243%0.42834%0.335SS..EExtended strand (participates in β ladder)trans-82.1122.7171-177.5-93.2000109.2D175 Y176 E203 R223D175-W201 HydrophobicContact CB-CE3 4.26Å; D175-W201 HydrophobicContact CB-CH2 4.23Å; D175-W201 HydrophobicContact CB-CZ3 3.54Å; Y176-W201 HydrophobicContact CD1-CB 4.45Å; Y176-W201 HydrophobicContact CE1-CB 4.15Å; Y176-W201 HydrophobicContact CE2-CE3 4.26Å; W201-E203 PolarHBondContact NE1-OE2 3.2Å; W201-R223 VanDerWaalsContact CZ2-CZ 3.48Å
202V96.7Very high96.3Very high0 Ų060 Ų600%033%0.325CS..  trans-115.6123.8178.2-178.80000109.2T177 I200 R223 H224 N247 I248T177-V202 HydrophobicContact CG2-CG2 4.45Å; I200-V202 HydrophobicContact CD1-CG2 3.88Å; I200-V202 HydrophobicContact CG1-CG2 3.95Å; V202-R223 WeakPolarHBondContact O-CD 3.45Å; V202-H224 HydrophobicContact CB-CB 3.91Å; V202-H224 HydrophobicContact CG1-CB 3.83Å; V202-H224 HydrophobicContact CG2-CB 4.18Å; V202-N247 WeakPolarHBondContact CG1-O 3.44Å; V202-I248 WeakPolarHBondContact CG2-O 3.47Å
203E97Very high96.3Very high88 Ų8861.7 Ų61.741%0.41134%0.337SS..  trans-150.6109.2178.4-170.1173.7160.800110.7W201 H222 R223 S250W201-E203 PolarHBondContact NE1-OE2 3.2Å; E203-H222 CarbonylContact C-O 3.53Å; E203-H222 VanDerWaalsContact CA-O 3.31Å; E203-H222 WeakPolarHBondContact CA-O 3.47Å; E203-R223 IonicContact OE2-NH1 3.81Å; E203-S250 PolarHBondContact N-OG 3.46Å; E203-S250 WeakPolarHBondContact O-CB 3.2Å
204C96.7Very high96.3Very high3 Ų359.4 Ų59.42%0.0233%0.325CS..BIsolated β-bridgetrans-85.4134.2174.7-68.90000110.6H222 C246 W252C204-H222 HydrophobicContact CB-CB 4.17Å; C204-H222 PolarHBondContact N-O 3.14Å; C204-C246 HydrophobicContact CB-CB 3.78Å; C204-C246 WeakPolarHBondContact CB-SG 3.46Å; C204-C246 WeakPolarHBondContact SG-CA 3.47Å; C204-C246 WeakPolarHBondContact SG-CB 3.25Å; C204-C246 CovalentContact SG-SG 2.03Å; C204-C246 PolarHBondContact SG-SG 3.26Å; C204-W252 HydrophobicContact CB-CD2 4.21Å; C204-W252 HydrophobicContact CB-CH2 4.34Å; C204-W252 HydrophobicContact CB-CZ2 3.63Å
205K96.3Very high96.3Very high188 Ų18861.1 Ų61.182%0.81733%0.331SS*.PPolyproline II helixtrans-70.5147.4170.9-64-174.5178-177.40110.5W252K205-W252 PolarHBondContact O-NE1 3.42Å
206D94.9Very high96.4Very high90 Ų9061.8 Ų61.848%0.48133%0.327SS..PPolyproline II helixtrans-51.7128.5178.8-63.44.9000111.5V208 P220 H222D206-V208 PolarHBondContact O-N 3.3Å; D206-P220 VanDerWaalsContact OD1-CG 3.27Å; D206-P220 WeakPolarHBondContact OD1-CG 3Å; D206-P220 WeakPolarHBondContact OD2-CG 3.44Å; D206-H222 IonicContact OD1-CD2 3.17Å; D206-H222 PolarHBondContact OD1-CD2 2.92Å; D206-H222 IonicContact OD1-NE2 3.64Å; D206-H222 PolarHBondContact OD1-NE2 3.38Å; D206-H222 VanDerWaalsContact OD1-NE2 3.14Å
207P94.8Very high96.4Very high8 Ų861 Ų615%0.05233%0.328CS..PPolyproline II helixtrans-62.1127.7176.4-19.428.7000111.6I209 V228 Y230 L244 W252 I256P207-I209 HydrophobicContact CB-CD1 4.26Å; P207-I209 HydrophobicContact CB-CG1 4.41Å; P207-V228 HydrophobicContact CG-CG2 3.96Å; P207-Y230 HydrophobicContact CB-CE2 4.19Å; P207-Y230 HydrophobicContact CG-CE2 4.01Å; P207-L244 HydrophobicContact CB-CD1 3.95Å; P207-L244 HydrophobicContact CG-CD1 3.83Å; P207-W252 HydrophobicContact CG-CD2 4.03Å; P207-W252 HydrophobicContact CG-CG 4.24Å; P207-W252 HydrophobicContact CG-CZ2 3.96Å; P207-I256 HydrophobicContact CB-CD1 4.32Å
208V94.5Very high96.3Very high124 Ų12462.4 Ų62.475%0.75234%0.337SS*.  trans-99.2102.5172.2-1770000108.5D206D206-V208 PolarHBondContact O-N 3.3Å
209I96.1Very high96.1Very high16 Ų1667.5 Ų67.58%0.08235%0.346CS..  trans-118.3105.2177.9-55.3158.7000108.4P207 N211 A212 Y230 L244 I256 P257P207-I209 HydrophobicContact CB-CD1 4.26Å; P207-I209 HydrophobicContact CB-CG1 4.41Å; I209-N211 PolarHBondContact O-N 2.98Å; I209-A212 HydrophobicContact CB-CB 3.75Å; I209-A212 HydrophobicContact CG2-CB 3.53Å; I209-A212 PolarHBondContact O-N 3.44Å; I209-Y230 HydrophobicContact CD1-CD1 4.06Å; I209-Y230 HydrophobicContact CD1-CD2 3.97Å; I209-Y230 HydrophobicContact CD1-CE2 4.48Å; I209-Y230 HydrophobicContact CD1-CG 3.75Å; I209-L244 HydrophobicContact CD1-CD1 4.34Å; I209-I256 HydrophobicContact CD1-CG2 4.09Å; I209-I256 HydrophobicContact CG1-CG2 3.42Å; I209-I256 VanDerWaalsContact CG1-CG2 3.42Å; I209-P257 HydrophobicContact CD1-CG 3.8Å; I209-P257 HydrophobicContact CG1-CG 4.45Å; I209-P257 WeakPolarHBondContact CG2-O 3.47Å
210P96.4Very high95.9Very high92 Ų9270.2 Ų70.260%0.59736%0.363SS*.THydrogen-bonded Turntrans-56.3140.3175.5-2534.7000111.2A212 C259P210-A212 PolarHBondContact O-N 3.2Å; P210-C259 WeakPolarHBondContact O-CB 3.37Å
211N96.1Very high95.7Very high61 Ų6171.5 Ų71.533%0.32638%0.375SS..THydrogen-bonded Turntrans59.721.7179.9-50.9-53.3000115.2I209 K233 Y236 C259I209-N211 PolarHBondContact O-N 2.98Å; N211-K233 WeakPolarHBondContact O-CB 3.4Å; N211-K233 WeakPolarHBondContact O-CG 3.42Å; N211-K233 PolarHBondContact O-N 2.75Å; N211-Y236 HydrophobicContact CB-CD1 3.76Å; N211-Y236 HydrophobicContact CB-CD2 3.78Å; N211-Y236 HydrophobicContact CB-CE1 3.79Å; N211-Y236 HydrophobicContact CB-CE2 3.79Å; N211-Y236 HydrophobicContact CB-CG 3.78Å; N211-Y236 WeakPolarHBondContact ND2-CE1 3.23Å; N211-C259 HydrophobicContact CB-CB 4.11Å
212A96.6Very high95.7Very high14 Ų1466.3 Ų66.312%0.11636%0.356CS..EExtended strand (participates in β ladder)trans-105.6164.9168.500000112.5I209 P210 Y230 N231 K233I209-A212 HydrophobicContact CB-CB 3.75Å; I209-A212 HydrophobicContact CG2-CB 3.53Å; I209-A212 PolarHBondContact O-N 3.44Å; P210-A212 PolarHBondContact O-N 3.2Å; A212-Y230 HydrophobicContact CB-CD1 4.11Å; A212-N231 CarbonylContact C-O 3.46Å; A212-N231 VanDerWaalsContact CA-O 3.23Å; A212-N231 WeakPolarHBondContact CA-O 3.49Å; A212-N231 WeakPolarHBondContact CB-O 3.31Å; A212-K233 WeakPolarHBondContact O-CE 2.96Å
213V96.4Very high95.6Very high59 Ų5969.4 Ų69.436%0.35837%0.367SS..EExtended strand (participates in β ladder)trans-126136.4170.1-720000108.8I215 Y230 N231 K233V213-I215 HydrophobicContact CG2-CD1 3.84Å; V213-Y230 VanDerWaalsContact O-CA 3.31Å; V213-Y230 WeakPolarHBondContact O-CA 3.48Å; V213-N231 HydrophobicContact CG2-CB 4.41Å; V213-N231 WeakPolarHBondContact CG2-O 3.34Å; V213-N231 PolarHBondContact N-O 2.74Å; V213-N231 PolarHBondContact O-N 3.16Å; V213-K233 HydrophobicContact CG1-CD 4.36Å; V213-K233 HydrophobicContact CG1-CG 3.72Å
214Y96.8Very high95.6Very high64 Ų6467.8 Ų67.825%0.25136%0.36SS..EExtended strand (participates in β ladder)trans-69.3131.2169.4168.8-86.7000108.7D216 G217 V228 Y230Y214-D216 VanDerWaalsContact CE2-O 3.26Å; Y214-D216 WeakPolarHBondContact CE2-O 3.03Å; Y214-D216 VanDerWaalsContact OH-C 3.27Å; Y214-G217 VanDerWaalsContact OH-C 3.32Å; Y214-G217 PolarHBondContact OH-N 3.31Å; Y214-G217 VanDerWaalsContact OH-N 3.11Å; Y214-G217 PolarHBondContact OH-O 3.09Å; Y214-V228 HydrophobicContact CE2-CB 4.43Å; Y214-V228 HydrophobicContact CE2-CG1 4.37Å; Y214-Y230 HydrophobicContact CD2-CE2 4.33Å
215I96.8Very high95.6Very high94 Ų9474.9 Ų74.948%0.48239%0.39SS..EExtended strand (participates in β ladder)trans-103.8-53.2-178.7-58.3-57.6000110.3V213 I229 N231V213-I215 HydrophobicContact CG2-CD1 3.84Å; I215-I229 HydrophobicContact CB-CG2 4.23Å; I215-I229 PolarHBondContact N-O 3.22Å; I215-N231 HydrophobicContact CD1-CB 3.88Å; I215-N231 HydrophobicContact CG1-CB 3.73Å
216D96.4Very high95.6Very high101 Ų10166.6 Ų66.654%0.5436%0.356SS..EExtended strand (participates in β ladder)trans-163.2169.5-174-168.723.2000111.9Y214 I229Y214-D216 VanDerWaalsContact CE2-O 3.26Å; Y214-D216 WeakPolarHBondContact CE2-O 3.03Å; Y214-D216 VanDerWaalsContact OH-C 3.27Å; D216-I229 HydrophobicContact CB-CD1 4.46Å; D216-I229 PolarHBondContact N-O 2.03Å; D216-I229 PolarHBondContact O-N 2.92Å
217G95.6Very high95.7Very high30 Ų3064.7 Ų64.731%0.30935%0.348SS..EExtended strand (participates in β ladder)trans120.6-161.4173.500000113.7Y214 T227Y214-G217 VanDerWaalsContact OH-C 3.32Å; Y214-G217 PolarHBondContact OH-N 3.31Å; Y214-G217 VanDerWaalsContact OH-N 3.11Å; Y214-G217 PolarHBondContact OH-O 3.09Å; G217-T227 CarbonylContact C-O 3.48Å; G217-T227 VanDerWaalsContact CA-O 3.29Å; G217-T227 WeakPolarHBondContact CA-O 3.29Å
218S95.6Very high95.9Very high33 Ų3364.3 Ų64.323%0.23135%0.346CS..PPolyproline II helixtrans-60.4148.5178.362.30000112.6H222 A226 T227 V228S218-H222 PolarHBondContact O-CE1 2.9Å; S218-H222 VanDerWaalsContact O-CE1 3.22Å; S218-H222 PolarHBondContact OG-ND1 3.22Å; S218-A226 WeakPolarHBondContact OG-CB 3.4Å; S218-T227 PolarHBondContact N-O 2.91Å; S218-T227 PolarHBondContact OG-O 3.43Å; S218-T227 VanDerWaalsContact OG-O 3.08Å; S218-V228 WeakPolarHBondContact OG-CG1 3.21Å
219R94.1Very high96Very high177 Ų17761.1 Ų61.167%0.66832%0.324SS*.PPolyproline II helixtrans-100.9158.1167.8-66.3-64.4-173.8168.80.1110
220P92.8Very high96.1Very high71 Ų7162 Ų6246%0.46133%0.326SS..SBendtrans-60.5144.6176.9-20.932.7000111.5D206D206-P220 VanDerWaalsContact OD1-CG 3.27Å; D206-P220 WeakPolarHBondContact OD1-CG 3Å; D206-P220 WeakPolarHBondContact OD2-CG 3.44Å
221P93.8Very high96.1Very high76 Ų7661.9 Ų61.949%0.49432%0.321SS..SBendcis-77.5133.80.430.6-34.2000113.3R223P221-R223 PolarHBondContact O-N 2.86Å
222H95.6Very high96.2Very high4 Ų459.6 Ų59.62%0.01931%0.31CS..BIsolated β-bridgetrans-83.3104.3-177.7-59.4-70.7000112E203 C204 D206 S218 A226 W252E203-H222 CarbonylContact C-O 3.53Å; E203-H222 VanDerWaalsContact CA-O 3.31Å; E203-H222 WeakPolarHBondContact CA-O 3.47Å; C204-H222 HydrophobicContact CB-CB 4.17Å; C204-H222 PolarHBondContact N-O 3.14Å; D206-H222 IonicContact OD1-CD2 3.17Å; D206-H222 PolarHBondContact OD1-CD2 2.92Å; D206-H222 IonicContact OD1-NE2 3.64Å; D206-H222 PolarHBondContact OD1-NE2 3.38Å; D206-H222 VanDerWaalsContact OD1-NE2 3.14Å; S218-H222 PolarHBondContact O-CE1 2.9Å; S218-H222 VanDerWaalsContact O-CE1 3.22Å; S218-H222 PolarHBondContact OG-ND1 3.22Å; H222-A226 HydrophobicContact CB-CB 4.13Å; H222-W252 HydrophobicContact CB-CH2 3.9Å; H222-W252 HydrophobicContact CB-CZ2 3.9Å; H222-W252 AromaticContact CD2-CZ2 3.8Å; H222-W252 AromaticContact CG-CH2 3.81Å; H222-W252 AromaticContact CG-CZ2 3.75Å; H222-W252 AromaticContact ND1-CH2 3.97Å
223R95.1Very high96.1Very high64 Ų6464 Ų6424%0.24233%0.326CS..  trans-80.4175.1178.5-61.4-59-171.8-165.7-0.6113.4W201 V202 E203 P221 K225 A226 C246W201-R223 VanDerWaalsContact CZ2-CZ 3.48Å; V202-R223 WeakPolarHBondContact O-CD 3.45Å; E203-R223 IonicContact OE2-NH1 3.81Å; P221-R223 PolarHBondContact O-N 2.86Å; R223-K225 PolarHBondContact O-N 3.17Å; R223-A226 WeakPolarHBondContact O-CB 3.4Å; R223-A226 PolarHBondContact O-N 2.73Å; R223-C246 WeakPolarHBondContact O-CB 3.27Å
224H96.3Very high96.1Very high55 Ų5570.7 Ų70.726%0.25535%0.353SS..THydrogen-bonded Turntrans-52.5137172.6179.8-130000111.9T177 V202 A226T177-H224 HydrophobicContact CG2-CB 3.95Å; T177-H224 WeakPolarHBondContact CG2-ND1 3.44Å; T177-H224 WeakPolarHBondContact OG1-CB 3.23Å; V202-H224 HydrophobicContact CB-CB 3.91Å; V202-H224 HydrophobicContact CG1-CB 3.83Å; V202-H224 HydrophobicContact CG2-CB 4.18Å; H224-A226 PolarHBondContact O-N 3.31Å
225K95.9Very high95.9Very high151 Ų15169.2 Ų69.266%0.65736%0.357SS*.THydrogen-bonded Turntrans63.47.2-174.2-56.9179.1177.3-178.70115.1R223 T227 C246R223-K225 PolarHBondContact O-N 3.17Å; K225-T227 PolarHBondContact O-N 2.82Å; K225-C246 PolarHBondContact N-O 2.84Å
226A96.9Very high95.8Very high14 Ų1468.7 Ų68.712%0.11635%0.35CS..  trans-60.8131.9170.200000109.5S218 H222 R223 H224 T245 C246 W252S218-A226 WeakPolarHBondContact OG-CB 3.4Å; H222-A226 HydrophobicContact CB-CB 4.13Å; R223-A226 WeakPolarHBondContact O-CB 3.4Å; R223-A226 PolarHBondContact O-N 2.73Å; H224-A226 PolarHBondContact O-N 3.31Å; A226-T245 CarbonylContact O-C 3.53Å; A226-T245 VanDerWaalsContact O-CA 3.32Å; A226-T245 WeakPolarHBondContact O-CA 3.32Å; A226-C246 HydrophobicContact CB-CB 4.26Å; A226-C246 PolarHBondContact O-N 3.45Å; A226-W252 WeakPolarHBondContact O-CZ3 3.04Å
227T98Very high95.7Very high51 Ų5170.2 Ų70.231%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-112.4141.5179.5-57.80000110G217 S218 K225 T243 L244 T245G217-T227 CarbonylContact C-O 3.48Å; G217-T227 VanDerWaalsContact CA-O 3.29Å; G217-T227 WeakPolarHBondContact CA-O 3.29Å; S218-T227 PolarHBondContact N-O 2.91Å; S218-T227 PolarHBondContact OG-O 3.43Å; S218-T227 VanDerWaalsContact OG-O 3.08Å; K225-T227 PolarHBondContact O-N 2.82Å; T227-T243 HydrophobicContact CG2-CG2 3.48Å; T227-T243 VanDerWaalsContact CG2-CG2 3.48Å; T227-L244 CarbonylContact C-O 3.5Å; T227-L244 WeakPolarHBondContact CA-O 3.4Å; T227-L244 WeakPolarHBondContact CG2-O 3.47Å; T227-T245 PolarHBondContact OG1-OG1 2.84Å
228V97.8Very high95.7Very high0 Ų070.8 Ų70.80%035%0.346CS..EExtended strand (participates in β ladder)trans-133.4145.8173.5-64.40000109.7P207 Y214 S218 Y230 T243 L244 W252P207-V228 HydrophobicContact CG-CG2 3.96Å; Y214-V228 HydrophobicContact CE2-CB 4.43Å; Y214-V228 HydrophobicContact CE2-CG1 4.37Å; S218-V228 WeakPolarHBondContact OG-CG1 3.21Å; V228-Y230 HydrophobicContact CB-CD2 4.49Å; V228-Y230 HydrophobicContact CB-CE2 3.97Å; V228-Y230 HydrophobicContact CG2-CD2 4.22Å; V228-Y230 HydrophobicContact CG2-CE2 3.73Å; V228-T243 WeakPolarHBondContact O-CA 3.37Å; V228-L244 HydrophobicContact CG2-CB 3.88Å; V228-L244 HydrophobicContact CG2-CD1 4.4Å; V228-L244 PolarHBondContact N-O 3.26Å; V228-L244 PolarHBondContact O-N 2.84Å; V228-W252 HydrophobicContact CB-CH2 4.41Å; V228-W252 HydrophobicContact CG1-CH2 3.84Å; V228-W252 HydrophobicContact CG1-CZ3 4.36Å; V228-W252 HydrophobicContact CG2-CE3 4.15Å; V228-W252 HydrophobicContact CG2-CH2 3.69Å; V228-W252 HydrophobicContact CG2-CZ2 4.25Å; V228-W252 HydrophobicContact CG2-CZ3 3.63Å
229I97.8Very high95.8Very high56 Ų5673.4 Ų73.429%0.28736%0.358SS..EExtended strand (participates in β ladder)trans-123.4126-176-55.4177000108.7I215 D216 G242 T243I215-I229 HydrophobicContact CB-CG2 4.23Å; I215-I229 PolarHBondContact N-O 3.22Å; D216-I229 HydrophobicContact CB-CD1 4.46Å; D216-I229 PolarHBondContact N-O 2.03Å; D216-I229 PolarHBondContact O-N 2.92Å; I229-G242 CarbonylContact C-O 3.59Å; I229-G242 WeakPolarHBondContact CA-O 3.2Å; I229-T243 HydrophobicContact CG1-CG2 4.19Å
230Y97.2Very high95.8Very high34 Ų3467.8 Ų67.813%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-120.5151.1176.8-73.5-98.6000110.9P207 I209 A212 V213 Y214 V228 M238 G242P207-Y230 HydrophobicContact CB-CE2 4.19Å; P207-Y230 HydrophobicContact CG-CE2 4.01Å; I209-Y230 HydrophobicContact CD1-CD1 4.06Å; I209-Y230 HydrophobicContact CD1-CD2 3.97Å; I209-Y230 HydrophobicContact CD1-CE2 4.48Å; I209-Y230 HydrophobicContact CD1-CG 3.75Å; A212-Y230 HydrophobicContact CB-CD1 4.11Å; V213-Y230 VanDerWaalsContact O-CA 3.31Å; V213-Y230 WeakPolarHBondContact O-CA 3.48Å; Y214-Y230 HydrophobicContact CD2-CE2 4.33Å; V228-Y230 HydrophobicContact CB-CD2 4.49Å; V228-Y230 HydrophobicContact CB-CE2 3.97Å; V228-Y230 HydrophobicContact CG2-CD2 4.22Å; V228-Y230 HydrophobicContact CG2-CE2 3.73Å; Y230-M238 WeakPolarHBondContact O-CE 3.43Å; Y230-G242 PolarHBondContact N-O 3.33Å
231N97.1Very high96Very high91 Ų9169.7 Ų69.749%0.48736%0.358SS..EExtended strand (participates in β ladder)trans-129.6153.8167.3-164.315.6000110.2A212 V213 I215A212-N231 CarbonylContact C-O 3.46Å; A212-N231 VanDerWaalsContact CA-O 3.23Å; A212-N231 WeakPolarHBondContact CA-O 3.49Å; A212-N231 WeakPolarHBondContact CB-O 3.31Å; V213-N231 HydrophobicContact CG2-CB 4.41Å; V213-N231 WeakPolarHBondContact CG2-O 3.34Å; V213-N231 PolarHBondContact N-O 2.74Å; V213-N231 PolarHBondContact O-N 3.16Å; I215-N231 HydrophobicContact CD1-CB 3.88Å; I215-N231 HydrophobicContact CG1-CB 3.73Å
232C97Very high96Very high13 Ų1366.6 Ų66.69%0.08834%0.34CS..EExtended strand (participates in β ladder)trans-74.5145.2175.7-63.60000111.1K237 M238 C259C232-K237 VanDerWaalsContact SG-C 3.58Å; C232-M238 WeakPolarHBondContact SG-CA 3.31Å; C232-M238 PolarHBondContact SG-N 3.08Å; C232-M238 VanDerWaalsContact SG-N 3.41Å; C232-C259 WeakPolarHBondContact CA-SG 3.19Å; C232-C259 HydrophobicContact CB-CB 3.9Å; C232-C259 WeakPolarHBondContact CB-SG 3.26Å; C232-C259 VanDerWaalsContact SG-CA 3.51Å; C232-C259 WeakPolarHBondContact SG-CB 3.08Å; C232-C259 CovalentContact SG-SG 2.04Å; C232-C259 PolarHBondContact SG-SG 2.79Å
233K95.9Very high96.1Very high106 Ų10668.7 Ų68.746%0.46135%0.353SS..PPolyproline II helixtrans-62.9160.8170.9-69.3-180-176.2-179.20110.1N211 A212 V213 G235 Y236N211-K233 WeakPolarHBondContact O-CB 3.4Å; N211-K233 WeakPolarHBondContact O-CG 3.42Å; N211-K233 PolarHBondContact O-N 2.75Å; A212-K233 WeakPolarHBondContact O-CE 2.96Å; V213-K233 HydrophobicContact CG1-CD 4.36Å; V213-K233 HydrophobicContact CG1-CG 3.72Å; K233-G235 PolarHBondContact O-N 3.4Å; K233-Y236 PolarHBondContact O-N 2.79Å; K233-Y236 VanDerWaalsContact O-N 3.1Å
234H94.6Very high96.2Very high200 Ų20065.7 Ų65.793%0.92634%0.342SS*.THydrogen-bonded Turntrans-53.3137.2176.8-171-113.4000111.5
235G92.7Very high96.3Very high32 Ų3265.4 Ų65.433%0.3334%0.344SS..THydrogen-bonded Turntrans88.1-4.4-174.700000115.4K233 N262K233-G235 PolarHBondContact O-N 3.4Å; G235-N262 WeakPolarHBondContact O-CB 3.37Å; G235-N262 PolarHBondContact O-N 2.87Å
236Y96.1Very high96.4Very high83 Ų8358.2 Ų58.233%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-121.2152.5176.9-64.2-97.8000111.7N211 K233 C259 I260N211-Y236 HydrophobicContact CB-CD1 3.76Å; N211-Y236 HydrophobicContact CB-CD2 3.78Å; N211-Y236 HydrophobicContact CB-CE1 3.79Å; N211-Y236 HydrophobicContact CB-CE2 3.79Å; N211-Y236 HydrophobicContact CB-CG 3.78Å; N211-Y236 WeakPolarHBondContact ND2-CE1 3.23Å; K233-Y236 PolarHBondContact O-N 2.79Å; K233-Y236 VanDerWaalsContact O-N 3.1Å; Y236-C259 HydrophobicContact CD1-CB 4.32Å; Y236-C259 HydrophobicContact CG-CB 4.44Å; Y236-I260 CarbonylContact C-O 3.49Å; Y236-I260 VanDerWaalsContact CA-O 3.26Å; Y236-I260 WeakPolarHBondContact CA-O 3.47Å
237K94.8Very high96.4Very high134 Ų13459.6 Ų59.658%0.58332%0.318SS*.EExtended strand (participates in β ladder)trans-118.7142.4173.9174.1178.3-178.8-175.50110C232 C259 I260 N262C232-K237 VanDerWaalsContact SG-C 3.58Å; K237-C259 WeakPolarHBondContact O-CA 3.47Å; K237-I260 HydrophobicContact CB-CG1 4.35Å; K237-I260 PolarHBondContact N-O 2.85Å; K237-I260 VanDerWaalsContact O-CG1 3.26Å; K237-I260 WeakPolarHBondContact O-CG1 3.39Å; K237-I260 PolarHBondContact O-N 2.79Å; K237-N262 WeakPolarHBondContact CB-OD1 3.16Å; K237-N262 PolarHBondContact N-OD1 3.11Å
238M95.4Very high96.3Very high41 Ų4159.5 Ų59.520%0.20232%0.316CS..EExtended strand (participates in β ladder)trans-75.8127.5179.2-171.9154.9-77.600111.6Y230 C232 G242 P257Y230-M238 WeakPolarHBondContact O-CE 3.43Å; C232-M238 WeakPolarHBondContact SG-CA 3.31Å; C232-M238 PolarHBondContact SG-N 3.08Å; C232-M238 VanDerWaalsContact SG-N 3.41Å; M238-G242 WeakPolarHBondContact SD-CA 3.42Å; M238-G242 PolarHBondContact SD-N 3.46Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact CG-CB 4.25Å; M238-P257 HydrophobicContact SD-CG 4.47Å
239N96.4Very high96.1Very high89 Ų8963.2 Ų63.248%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-107.2105.9168.9-175.429000108.9P257 E258 I260N239-P257 WeakPolarHBondContact O-CA 3.44Å; N239-P257 WeakPolarHBondContact O-CB 3.26Å; N239-E258 WeakPolarHBondContact CB-O 3.26Å; N239-E258 PolarHBondContact N-O 3.43Å; N239-E258 PolarHBondContact O-N 3.43Å; N239-I260 HydrophobicContact CB-CD1 4.42Å; N239-I260 HydrophobicContact CB-CG1 4.43Å; N239-I260 HydrophobicContact CB-CG2 4.22Å
240G94.7Very high96.1Very high59 Ų5962.8 Ų62.861%0.60834%0.343SS*.SBendtrans109.9-161.9-170.600000112.5
241Q96.2Very high96.1Very high110 Ų11067.1 Ų67.151%0.51437%0.365SS..  trans-103.9129.6-178.4-169.6173.7-9.800110.7T243 P254 P257Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.82Å; Q241-P254 HydrophobicContact CB-CG 3.57Å; Q241-P254 HydrophobicContact CG-CG 4.21Å; Q241-P257 WeakPolarHBondContact O-CG 3.43Å
242G94.6Very high96.1Very high12 Ų1263.9 Ų63.912%0.12435%0.346CS..SBendtrans-75.6-15.5-179.900000114.7I229 Y230 M238I229-G242 CarbonylContact C-O 3.59Å; I229-G242 WeakPolarHBondContact CA-O 3.2Å; Y230-G242 PolarHBondContact N-O 3.33Å; M238-G242 WeakPolarHBondContact SD-CA 3.42Å; M238-G242 PolarHBondContact SD-N 3.46Å
243T97.7Very high96.1Very high48 Ų4871.3 Ų71.329%0.29437%0.373SS..EExtended strand (participates in β ladder)trans-96.1119.7175.5-52.50000109.6T227 V228 I229 Q241T227-T243 HydrophobicContact CG2-CG2 3.48Å; T227-T243 VanDerWaalsContact CG2-CG2 3.48Å; V228-T243 WeakPolarHBondContact O-CA 3.37Å; I229-T243 HydrophobicContact CG1-CG2 4.19Å; Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.82Å
244L98Very high96.1Very high0 Ų067.6 Ų67.60%036%0.36CS..EExtended strand (participates in β ladder)trans-117.2141.1179.8-53.1173.7000109.9P207 I209 T227 V228 W252 P254 I256P207-L244 HydrophobicContact CB-CD1 3.95Å; P207-L244 HydrophobicContact CG-CD1 3.83Å; I209-L244 HydrophobicContact CD1-CD1 4.34Å; T227-L244 CarbonylContact C-O 3.5Å; T227-L244 WeakPolarHBondContact CA-O 3.4Å; T227-L244 WeakPolarHBondContact CG2-O 3.47Å; V228-L244 HydrophobicContact CG2-CB 3.88Å; V228-L244 HydrophobicContact CG2-CD1 4.4Å; V228-L244 PolarHBondContact N-O 3.26Å; V228-L244 PolarHBondContact O-N 2.84Å; L244-W252 HydrophobicContact CB-CB 4.31Å; L244-W252 HydrophobicContact CB-CD2 4.14Å; L244-W252 HydrophobicContact CB-CE3 3.56Å; L244-W252 HydrophobicContact CB-CG 4.46Å; L244-W252 HydrophobicContact CB-CZ3 4.24Å; L244-W252 HydrophobicContact CD1-CB 4.44Å; L244-W252 HydrophobicContact CD1-CG 4.49Å; L244-P254 HydrophobicContact CD2-CG 4.42Å; L244-P254 WeakPolarHBondContact CD2-O 3.49Å; L244-I256 HydrophobicContact CD1-CG1 4.37Å
245T98.1Very high96.1Very high49 Ų4967.9 Ų67.930%0.30135%0.353SS..EExtended strand (participates in β ladder)trans-122.8130.8176.7-56.50000110.3A226 T227 N247 W252 Y253A226-T245 CarbonylContact O-C 3.53Å; A226-T245 VanDerWaalsContact O-CA 3.32Å; A226-T245 WeakPolarHBondContact O-CA 3.32Å; T227-T245 PolarHBondContact OG1-OG1 2.84Å; T245-N247 PolarHBondContact O-N 2.77Å; T245-W252 VanDerWaalsContact C-CE3 3.47Å; T245-Y253 PolarHBondContact N-O 3.18Å; T245-Y253 PolarHBondContact O-N 3.49Å
246C97.8Very high96.3Very high1 Ų169.7 Ų69.71%0.00735%0.354CS..EExtended strand (participates in β ladder)trans-72.3115.5178.2-177.30000110.2C204 R223 K225 A226 W252C204-C246 HydrophobicContact CB-CB 3.78Å; C204-C246 WeakPolarHBondContact CB-SG 3.46Å; C204-C246 WeakPolarHBondContact SG-CA 3.47Å; C204-C246 WeakPolarHBondContact SG-CB 3.25Å; C204-C246 CovalentContact SG-SG 2.03Å; C204-C246 PolarHBondContact SG-SG 3.26Å; R223-C246 WeakPolarHBondContact O-CB 3.27Å; K225-C246 PolarHBondContact N-O 2.84Å; A226-C246 HydrophobicContact CB-CB 4.26Å; A226-C246 PolarHBondContact O-N 3.45Å; C246-W252 HydrophobicContact CB-CE3 4.19Å; C246-W252 HydrophobicContact CB-CH2 4.17Å; C246-W252 HydrophobicContact CB-CZ3 3.9Å
247N96.3Very high96.3Very high42 Ų4266.1 Ų66.123%0.22534%0.341CS..  trans-83.9174.4-179.176.916.8000112.2V202 T245 S249 S250 Q251V202-N247 WeakPolarHBondContact CG1-O 3.44Å; T245-N247 PolarHBondContact O-N 2.77Å; N247-S249 PolarHBondContact O-N 2.94Å; N247-S249 WeakPolarHBondContact OD1-CA 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.48Å; N247-S249 PolarHBondContact OD1-N 2.04Å; N247-S250 PolarHBondContact O-N 2.78Å; N247-S250 VanDerWaalsContact O-N 3.16Å; N247-S250 PolarHBondContact OD1-N 3.38Å; N247-Q251 WeakPolarHBondContact CB-O 3.37Å; N247-Q251 PolarHBondContact N-O 3.01Å; N247-Q251 PolarHBondContact ND2-O 2.76Å; N247-Q251 PolarHBondContact OD1-N 3.1Å; N247-Q251 PolarHBondContact OD1-O 3.41Å; N247-Q251 VanDerWaalsContact OD1-O 3.09Å
248I95.4Very high96.4Very high50 Ų5065.2 Ų65.226%0.25634%0.339SS..THydrogen-bonded Turntrans-65.9-19.3-177.2-160.5156.1000113.6T177 N179 I200 V202 S250T177-I248 HydrophobicContact CG2-CD1 4.31Å; T177-I248 HydrophobicContact CG2-CG1 4.47Å; N179-I248 HydrophobicContact CB-CD1 3.77Å; N179-I248 HydrophobicContact CB-CG1 4.5Å; N179-I248 WeakPolarHBondContact OD1-CD1 3.07Å; I200-I248 HydrophobicContact CD1-CD1 4.3Å; I200-I248 HydrophobicContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-O 3.25Å; I200-I248 WeakPolarHBondContact CD1-O 3.4Å; I200-I248 HydrophobicContact CG1-CG1 4.41Å; V202-I248 WeakPolarHBondContact CG2-O 3.47Å; I248-S250 VanDerWaalsContact C-N 3.3Å
249S95.3Very high96.5Very high78 Ų7864 Ų6455%0.54534%0.335SS..THydrogen-bonded Turntrans-91.213.7177.7-54.30000112.9N247 Q251N247-S249 PolarHBondContact O-N 2.94Å; N247-S249 WeakPolarHBondContact OD1-CA 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.48Å; N247-S249 PolarHBondContact OD1-N 2.04Å; S249-Q251 VanDerWaalsContact C-N 3.3Å; S249-Q251 PolarHBondContact O-N 2.87Å
250S96.4Very high96.4Very high47 Ų4763.7 Ų63.733%0.32933%0.332SS..SBendtrans59.437.1-175.2-56.50000113.5E203 N247 I248E203-S250 PolarHBondContact N-OG 3.46Å; E203-S250 WeakPolarHBondContact O-CB 3.2Å; N247-S250 PolarHBondContact O-N 2.78Å; N247-S250 VanDerWaalsContact O-N 3.16Å; N247-S250 PolarHBondContact OD1-N 3.38Å; I248-S250 VanDerWaalsContact C-N 3.3Å
251Q97.1Very high96.3Very high124 Ų12464.5 Ų64.558%0.57933%0.328SS*.  trans-125.1148.8176-62.9176.4300111.3N247 S249N247-Q251 WeakPolarHBondContact CB-O 3.37Å; N247-Q251 PolarHBondContact N-O 3.01Å; N247-Q251 PolarHBondContact ND2-O 2.76Å; N247-Q251 PolarHBondContact OD1-N 3.1Å; N247-Q251 PolarHBondContact OD1-O 3.41Å; N247-Q251 VanDerWaalsContact OD1-O 3.09Å; S249-Q251 VanDerWaalsContact C-N 3.3Å; S249-Q251 PolarHBondContact O-N 2.87Å
252W97.6Very high95.6Very high24 Ų2462.7 Ų62.79%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-75.5132.5174.2-68.5107.2000111.4C204 K205 P207 H222 A226 V228 L244 T245 C246 P254 I256C204-W252 HydrophobicContact CB-CD2 4.21Å; C204-W252 HydrophobicContact CB-CH2 4.34Å; C204-W252 HydrophobicContact CB-CZ2 3.63Å; K205-W252 PolarHBondContact O-NE1 3.42Å; P207-W252 HydrophobicContact CG-CD2 4.03Å; P207-W252 HydrophobicContact CG-CG 4.24Å; P207-W252 HydrophobicContact CG-CZ2 3.96Å; H222-W252 HydrophobicContact CB-CH2 3.9Å; H222-W252 HydrophobicContact CB-CZ2 3.9Å; H222-W252 AromaticContact CD2-CZ2 3.8Å; H222-W252 AromaticContact CG-CH2 3.81Å; H222-W252 AromaticContact CG-CZ2 3.75Å; H222-W252 AromaticContact ND1-CH2 3.97Å; A226-W252 WeakPolarHBondContact O-CZ3 3.04Å; V228-W252 HydrophobicContact CB-CH2 4.41Å; V228-W252 HydrophobicContact CG1-CH2 3.84Å; V228-W252 HydrophobicContact CG1-CZ3 4.36Å; V228-W252 HydrophobicContact CG2-CE3 4.15Å; V228-W252 HydrophobicContact CG2-CH2 3.69Å; V228-W252 HydrophobicContact CG2-CZ2 4.25Å; V228-W252 HydrophobicContact CG2-CZ3 3.63Å; L244-W252 HydrophobicContact CB-CB 4.31Å; L244-W252 HydrophobicContact CB-CD2 4.14Å; L244-W252 HydrophobicContact CB-CE3 3.56Å; L244-W252 HydrophobicContact CB-CG 4.46Å; L244-W252 HydrophobicContact CB-CZ3 4.24Å; L244-W252 HydrophobicContact CD1-CB 4.44Å; L244-W252 HydrophobicContact CD1-CG 4.49Å; T245-W252 VanDerWaalsContact C-CE3 3.47Å; C246-W252 HydrophobicContact CB-CE3 4.19Å; C246-W252 HydrophobicContact CB-CH2 4.17Å; C246-W252 HydrophobicContact CB-CZ3 3.9Å; W252-P254 CarbonylContact C-O 3.36Å; W252-I256 HydrophobicContact CB-CG1 4.13Å; W252-I256 HydrophobicContact CG-CG1 4.5Å
253Y96.8Very high94.2Very high168 Ų16865.7 Ų65.766%0.65935%0.353SS*.EExtended strand (participates in β ladder)trans-127.5133.6174.4-177.3-93.5000111.6T245T245-Y253 PolarHBondContact N-O 3.18Å; T245-Y253 PolarHBondContact O-N 3.49Å
254P95.9Very high92.3Very high28 Ų2870.6 Ų70.618%0.18238%0.377CS..SBendcis-60.2171.9-10.430.4-37.1000111.4Q241 L244 W252Q241-P254 HydrophobicContact CB-CG 3.57Å; Q241-P254 HydrophobicContact CG-CG 4.21Å; L244-P254 HydrophobicContact CD2-CG 4.42Å; L244-P254 WeakPolarHBondContact CD2-O 3.49Å; W252-P254 CarbonylContact C-O 3.36Å
255R95.3Very high90.1Very high207 Ų20774.4 Ų74.478%0.78141%0.409SS*.PPolyproline II helixtrans-50.9149.8179.168.6-174.5-73.8173.8-3.6110.9
256I96.3Very high87.8Confident70 Ų7078.4 Ų78.436%0.35943%0.433SS..PPolyproline II helixtrans-52.7127.2179.6-60.6177.7000109.8P207 I209 L244 W252P207-I256 HydrophobicContact CB-CD1 4.32Å; I209-I256 HydrophobicContact CD1-CG2 4.09Å; I209-I256 HydrophobicContact CG1-CG2 3.42Å; I209-I256 VanDerWaalsContact CG1-CG2 3.42Å; L244-I256 HydrophobicContact CD1-CG1 4.37Å; W252-I256 HydrophobicContact CB-CG1 4.13Å; W252-I256 HydrophobicContact CG-CG1 4.5Å
257P96.5Very high85.6Confident7 Ų785 Ų855%0.04547%0.472CS..PPolyproline II helixtrans-79.6168.3-176.234.9-38.3000111.4I209 M238 N239 Q241I209-P257 HydrophobicContact CD1-CG 3.8Å; I209-P257 HydrophobicContact CG1-CG 4.45Å; I209-P257 WeakPolarHBondContact CG2-O 3.47Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact CG-CB 4.25Å; M238-P257 HydrophobicContact SD-CG 4.47Å; N239-P257 WeakPolarHBondContact O-CA 3.44Å; N239-P257 WeakPolarHBondContact O-CB 3.26Å; Q241-P257 WeakPolarHBondContact O-CG 3.43Å
258E97.1Very high83.2Confident116 Ų11686.3 Ų86.354%0.54250%0.497SS..EExtended strand (participates in β ladder)trans-118.2140.9176.7-68.5176.2-173.800110.6N239N239-E258 WeakPolarHBondContact CB-O 3.26Å; N239-E258 PolarHBondContact N-O 3.43Å; N239-E258 PolarHBondContact O-N 3.43Å
259C96.9Very high80.6Confident16 Ų1687.1 Ų87.111%0.10852%0.517CS..EExtended strand (participates in β ladder)trans-95.7109.4170.8-71.90000109.4P210 N211 C232 Y236 K237P210-C259 WeakPolarHBondContact O-CB 3.37Å; N211-C259 HydrophobicContact CB-CB 4.11Å; C232-C259 WeakPolarHBondContact CA-SG 3.19Å; C232-C259 HydrophobicContact CB-CB 3.9Å; C232-C259 WeakPolarHBondContact CB-SG 3.26Å; C232-C259 VanDerWaalsContact SG-CA 3.51Å; C232-C259 WeakPolarHBondContact SG-CB 3.08Å; C232-C259 CovalentContact SG-SG 2.04Å; C232-C259 PolarHBondContact SG-SG 2.79Å; Y236-C259 HydrophobicContact CD1-CB 4.32Å; Y236-C259 HydrophobicContact CG-CB 4.44Å; K237-C259 WeakPolarHBondContact O-CA 3.47Å
260I95.7Very high77.9Confident82 Ų8289.1 Ų89.142%0.42153%0.531SS..EExtended strand (participates in β ladder)trans-93139.3179.657170.9000110.1Y236 K237 N239 N262Y236-I260 CarbonylContact C-O 3.49Å; Y236-I260 VanDerWaalsContact CA-O 3.26Å; Y236-I260 WeakPolarHBondContact CA-O 3.47Å; K237-I260 HydrophobicContact CB-CG1 4.35Å; K237-I260 PolarHBondContact N-O 2.85Å; K237-I260 VanDerWaalsContact O-CG1 3.26Å; K237-I260 WeakPolarHBondContact O-CG1 3.39Å; K237-I260 PolarHBondContact O-N 2.79Å; N239-I260 HydrophobicContact CB-CD1 4.42Å; N239-I260 HydrophobicContact CB-CG1 4.43Å; N239-I260 HydrophobicContact CB-CG2 4.22Å; I260-N262 PolarHBondContact O-N 2.89Å
261S92.4Very high75.4Confident75 Ų7595.2 Ų95.252%0.52456%0.559SS.*EExtended strand (participates in β ladder)trans-63.6131.3178.356.10000110.3G263S261-G263 PolarHBondContact O-N 2.63Å
262N80.3Confident72.5Confident73 Ų7392.8 Ų92.839%0.3957%0.567SS.*PPolyproline II helixtrans-65.8117.3163-61.9-25.1000105.1G235 K237 I260 N264 A265G235-N262 WeakPolarHBondContact O-CB 3.37Å; G235-N262 PolarHBondContact O-N 2.87Å; K237-N262 WeakPolarHBondContact CB-OD1 3.16Å; K237-N262 PolarHBondContact N-OD1 3.11Å; I260-N262 PolarHBondContact O-N 2.89Å; N262-N264 PolarHBondContact O-N 3.2Å; N262-A265 PolarHBondContact O-N 3.49Å
263G66.6Low69.7Low75 Ų7595.3 Ų95.377%0.77360%0.601SS**SBendtrans-57.917.9-168.300000118.2S261S261-G263 PolarHBondContact O-N 2.63Å
264N57.6Low66.9Low151 Ų15196 Ų9681%0.80762%0.615SS**  trans-120.754.6170.5-63.5-15.4000110.3N262 V266N262-N264 PolarHBondContact O-N 3.2Å; N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.36Å
265A52.1Low64Low80 Ų80102.6 Ų102.666%0.66164%0.643SS**  trans-77.390.3154.700000106.2N262 V267N262-A265 PolarHBondContact O-N 3.49Å; A265-V267 PolarHBondContact O-N 3.06Å
266V49.3Very low61.3Low132 Ų13298.3 Ų98.380%0.865%0.645SS**  trans-54.8113.2168.6-1750000105.9N264 G268N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.36Å; V266-G268 PolarHBondContact O-N 2.82Å
267V51.2Low58.6Low139 Ų139104.2 Ų104.284%0.84267%0.669SS**  trans-62.691.6168.4-178.80000105.4A265 G269A265-V267 PolarHBondContact O-N 3.06Å; V267-G269 PolarHBondContact O-N 2.79Å
268G45.7Very low55.9Low71 Ų71109 Ų10973%0.73270%0.702SS**  trans-69.175.1169.600000108.6V266 S270V266-G268 PolarHBondContact O-N 2.82Å; G268-S270 PolarHBondContact O-N 2.97Å
269G40.5Very low53.2Low67 Ų67108.9 Ų108.969%0.69171%0.714SS**  trans-63.3101.816400000107.9V267V267-G269 PolarHBondContact O-N 2.79Å
270S38.6Very low50.6Low119 Ų119113.6 Ų113.683%0.83275%0.747SS**  trans-70.4136.9172.5-156.80000109.5G268 G272G268-S270 PolarHBondContact O-N 2.97Å; S270-G272 PolarHBondContact O-N 3.17Å
271L44.7Very low48.4Very low176 Ų176115.5 Ų115.592%0.92176%0.763SS**  trans-55.3118.9-178.7-69.6134.3000111.5
272G36.7Very low45.7Very low73 Ų73119.3 Ų119.375%0.75378%0.776SS**  trans-113.3113.316200000108.7S270S270-G272 PolarHBondContact O-N 3.17Å
273G38.1Very low44.4Very low77 Ų77121.3 Ų121.379%0.79479%0.793SS**  trans-60.1139.1-178.100000113.2E275G273-E275 PolarHBondContact O-N 3.29Å
274L37.1Very low43.4Very low181 Ų181128.8 Ų128.895%0.94881%0.813SS**  trans-78.995165.7-79.6152.1000108.1
275E36.2Very low42.7Very low167 Ų167127.7 Ų127.778%0.7881%0.813SS**PPolyproline II helixtrans-83.4121155.6-78.4-166.2159.500108.9G273G273-E275 PolarHBondContact O-N 3.29Å
276S38.6Very low42.2Very low118 Ų118130.2 Ų130.283%0.82582%0.821SS**PPolyproline II helixtrans-71116.5178.349.80000111.4
277F39.5Very low41.8Very low194 Ų194130.1 Ų130.185%0.85182%0.822SS**PPolyproline II helixtrans-95.8118.7162.4-78.8-83.1000110.4
278S40.3Very low41.2Very low108 Ų108129.5 Ų129.576%0.75582%0.821SS**PPolyproline II helixtrans-59.2137.1176.9-174.90000112.2
279S39.6Very low41Very low112 Ų112133.2 Ų133.278%0.78383%0.827SS**PPolyproline II helixtrans-78.8134.2166.1-73.30000110.2
280S42Very low41Very low115 Ų115137.6 Ų137.680%0.80484%0.836SS**  trans-137.3117.3163.6-52.70000108
281V49Very low41.2Very low123 Ų123138.9 Ų138.975%0.74584%0.836SS**  trans-102.7122.9-176.2166.20000108.8
282L36.1Very low40.9Very low154 Ų154136.1 Ų136.181%0.80683%0.829SS**  trans58.1165.4147.8-75.1168.6000118.2
283P53.4Low41.2Very low116 Ų116141.3 Ų141.375%0.75384%0.836SS**  cis-147.7-17329.644.6-22.6000117.7
284I45.3Very low41.5Very low231 Ų231147.2 Ų147.2100%1.18584%0.84SS**  trans-79.10147.4-65.3169.7000107.6

Retrieved 284 of 284 residues in 617.2 ms (Link to these results)