A0A087YG39_POEFO Loading...

Hepatic and glial cell adhesion molecule

AlphaFold DB , UniProt , Accession A0A087YG39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low35.6Very low222 Ų222137.8 Ų137.8100%1.09477%0.767SS**  01500-154.3164.6160.300107
2Q35.5Very low35.5Very low149 Ų149143.8 Ų143.870%0.69678%0.779SS**  trans78.3100.6-173.8-8573.923.700115.3
3T36.3Very low35.6Very low111 Ų111146.2 Ų146.268%0.68178%0.778SS**  62.610664.368.10000112
4E32.8Very low36.2Very low152 Ų152145.8 Ų145.871%0.7177%0.774SS**  81.8140.877.2-155.8-167.4135.400112.1
5K39.4Very low36.3Very low160 Ų160149.3 Ų149.370%0.69677%0.774SS**  trans89.5138.4161.1-57.9-168173.5-174.50116.2
6D34.1Very low36.4Very low137 Ų137150.1 Ų150.173%0.73377%0.772SS**  cis-165.4154-6.7-105.5-32000106.5
7A37Very low37Very low88 Ų88150.5 Ų150.573%0.72777%0.774SS**  trans-67.5170.3167.300000110.3
8P41.6Very low37.3Very low125 Ų125152.6 Ų152.681%0.81278%0.777SS**  -157.1-178.551.339.1-14.8000118.4
9S30.4Very low37.4Very low92 Ų92149.4 Ų149.464%0.64377%0.77SS**  trans104.4100.1136.7-175.10000120.8
10K32.8Very low37.8Very low208 Ų208149.8 Ų149.890%0.90477%0.773SS**  74.2115.6129.9-65.1178.4-177.3177.50120.1
11G33.3Very low38.4Very low72 Ų72147.8 Ų147.874%0.74277%0.767SS**  trans170.563.1158.800000112.2K13G11-K13 PolarHBondContact O-N 3.23Å
12K34Very low38.6Very low210 Ų210146.5 Ų146.591%0.91376%0.756SS**  trans-69.599.4174.4-109.2179.2177.7177.80108.9I14K12-I14 PolarHBondContact O-N 3.47Å
13K36.4Very low39.1Very low174 Ų174148.1 Ų148.176%0.75776%0.761SS**  trans-77.3107.5165.4-75.3-177.1178.5179.60108.2G11 Y15G11-K13 PolarHBondContact O-N 3.23Å; K13-Y15 PolarHBondContact O-N 2.9Å
14I44.2Very low39.5Very low141 Ų141145.1 Ų145.172%0.72375%0.752SS**  trans-72.3109.3170.2-66.6164.5000106.4K12 H16K12-I14 PolarHBondContact O-N 3.47Å; I14-H16 PolarHBondContact O-N 3.18Å
15Y37.8Very low40.2Very low199 Ų199143.2 Ų143.278%0.7875%0.754SS**  trans-76.4106.8168.9-76-86.4000107.8K13 I17K13-Y15 PolarHBondContact O-N 2.9Å; Y15-I17 PolarHBondContact O-N 2.84Å; Y15-I17 VanDerWaalsContact O-N 3.1Å
16H38.6Very low40.6Very low161 Ų161143.5 Ų143.575%0.74576%0.762SS**  trans-62.5106.4165.4-88.9-86.9000108.3I14 F18I14-H16 PolarHBondContact O-N 3.18Å; H16-F18 VanDerWaalsContact C-N 3.33Å; H16-F18 PolarHBondContact O-N 2.97Å
17I46.3Very low41Very low157 Ų157143.7 Ų143.781%0.80576%0.763SS**  trans-67.299.2163.1-64.1169.6000105.5Y15 S19Y15-I17 PolarHBondContact O-N 2.84Å; Y15-I17 VanDerWaalsContact O-N 3.1Å; I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.1Å
18F42Very low41.6Very low188 Ų188145 Ų14583%0.82577%0.767SS**  trans-65.793.5165.8-108.5-95000107H16 L20H16-F18 VanDerWaalsContact C-N 3.33Å; H16-F18 PolarHBondContact O-N 2.97Å; F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.74Å
19S39.5Very low42Very low93 Ų93141.6 Ų141.665%0.6576%0.755SS**  trans-65.6100.9163-166.30000106.4I17 V21I17-S19 VanDerWaalsContact C-N 3.27Å; I17-S19 PolarHBondContact O-N 3.1Å; S19-V21 PolarHBondContact O-N 3.18Å
20L46.1Very low43.4Very low157 Ų157144.2 Ų144.282%0.82276%0.757SS**  trans-62.590.2164.8-93149.8000106.6F18 F22F18-L20 VanDerWaalsContact C-N 3.35Å; F18-L20 PolarHBondContact O-N 2.74Å; L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 PolarHBondContact O-N 3.42Å
21V49Very low44.7Very low107 Ų107138.5 Ų138.565%0.64874%0.739SS**  trans-61.9100.4161.8177.30000104.9S19 F23S19-V21 PolarHBondContact O-N 3.18Å; V21-F23 HydrophobicContact CG1-CD2 4.22Å; V21-F23 PolarHBondContact O-N 3.25Å
22F43.2Very low46.3Very low195 Ų195135.7 Ų135.786%0.85571%0.71SS**  trans-62.593.9164.5-145-94000104.9L20 G24L20-F22 VanDerWaalsContact C-N 3.27Å; L20-F22 PolarHBondContact O-N 3.42Å; F22-G24 PolarHBondContact O-N 2.98Å
23F45.5Very low48.4Very low184 Ų184127.6 Ų127.681%0.80768%0.682SS**  trans-66.286.3166.6-131.3-92.2000104.3V21 C25V21-F23 HydrophobicContact CG1-CD2 4.22Å; V21-F23 PolarHBondContact O-N 3.25Å; F23-C25 PolarHBondContact O-N 3.25Å
24G46.3Very low50.7Low47 Ų47119.8 Ų119.849%0.48565%0.649SS.*  trans-53.6115.2165.100000105.3F22 L26F22-G24 PolarHBondContact O-N 2.98Å; G24-L26 PolarHBondContact O-N 2.89Å
25C47Very low52.8Low112 Ų112117.9 Ų117.976%0.75764%0.64SS**  trans-56.992.2160.9-68.60000105.7F23 N27F23-C25 PolarHBondContact O-N 3.25Å; C25-N27 PolarHBondContact O-N 3.28Å
26L47.1Very low55.4Low167 Ų167109.8 Ų109.887%0.87461%0.61SS**  trans-63.581.9148.5-75.8163.1000103.8G24 S28G24-L26 PolarHBondContact O-N 2.89Å; L26-S28 PolarHBondContact O-N 3.34Å
27N42.9Very low58Low141 Ų141105.6 Ų105.675%0.75460%0.596SS**  trans-54.3105.3147.2-76.3-23.8000102.8C25 G29C25-N27 PolarHBondContact O-N 3.28Å; N27-G29 PolarHBondContact O-N 3.47Å
28S49.2Very low60.4Low116 Ų116100.6 Ų100.681%0.81157%0.57SS**  trans-63.375.5153.154.10000104.7L26 E30L26-S28 PolarHBondContact O-N 3.34Å; S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 3.29Å
29G51.1Low62.8Low53 Ų5395.1 Ų95.155%0.54655%0.553SS.*  trans-55.6110.7161.700000103.5N27 V31N27-G29 PolarHBondContact O-N 3.47Å; G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 2.93Å
30E58.3Low65.3Low147 Ų14795.5 Ų95.569%0.68755%0.548SS*.  trans-54.8106.8171.6-164165.2-157.400104.8S28 G32 F60S28-E30 VanDerWaalsContact C-N 3.31Å; S28-E30 PolarHBondContact O-N 3.29Å; E30-G32 PolarHBondContact O-N 3.48Å; E30-F60 HydrophobicContact CG-CE2 4.19Å; E30-F60 HydrophobicContact CG-CZ 4.46Å; E30-F60 WeakPolarHBondContact OE1-CZ 3.3Å
31V60Low67.6Low88 Ų8891 Ų9153%0.53353%0.534SS..  trans-68.5106.7-177.9174.30000105.2G29 A33 I130 F131G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 2.93Å; V31-A33 PolarHBondContact O-N 3.41Å; V31-A33 VanDerWaalsContact O-N 3.12Å; V31-I130 HydrophobicContact CG1-CD1 4.49Å; V31-F131 HydrophobicContact CG1-CD2 3.77Å; V31-F131 HydrophobicContact CG1-CE2 3.56Å
32G66.9Low69.9Low13 Ų1390 Ų9013%0.13452%0.524CS..  trans-57.9114.2176.300000109.6E30 D129 I130E30-G32 PolarHBondContact O-N 3.48Å; G32-D129 WeakPolarHBondContact CA-OD1 3.17Å; G32-I130 PolarHBondContact O-N 3.39Å
33A78.6Confident72.4Confident39 Ų3982 Ų8232%0.32249%0.49SS..BIsolated β-bridgetrans-136.6135.1176.600000108V31 N35 D129 F131V31-A33 PolarHBondContact O-N 3.41Å; V31-A33 VanDerWaalsContact O-N 3.12Å; A33-N35 PolarHBondContact O-N 2.99Å; A33-N35 VanDerWaalsContact O-N 3.09Å; A33-D129 PolarHBondContact N-OD1 3.4Å; A33-F131 HydrophobicContact CB-CB 3.86Å; A33-F131 HydrophobicContact CB-CD2 4.32Å
34V85.6Confident74.9Confident10 Ų1080.1 Ų80.16%0.06148%0.478CS..  trans-71.2107.7174.4-178.40000108.3M36 Y57 I124 I126 D129 F131V34-M36 PolarHBondContact O-N 3.32Å; V34-Y57 HydrophobicContact CG1-CD2 4.09Å; V34-Y57 HydrophobicContact CG1-CG 4.24Å; V34-I124 HydrophobicContact CG1-CB 4.32Å; V34-I124 HydrophobicContact CG1-CG2 4.12Å; V34-I126 HydrophobicContact CG2-CB 4.44Å; V34-I126 HydrophobicContact CG2-CD1 3.96Å; V34-I126 HydrophobicContact CG2-CG1 4.11Å; V34-D129 HydrophobicContact CG2-CB 4.04Å; V34-D129 VanDerWaalsContact CG2-OD2 3.24Å; V34-D129 WeakPolarHBondContact CG2-OD2 3.36Å; V34-F131 PolarHBondContact N-O 3.42Å; V34-F131 VanDerWaalsContact N-O 3.13Å
35N87.6Confident77.2Confident101 Ų10178.1 Ų78.154%0.5446%0.457SS..EExtended strand (participates in β ladder)trans-80.8113.6174.7-175.813.4000108.9A33 Y57 S58A33-N35 PolarHBondContact O-N 2.99Å; A33-N35 VanDerWaalsContact O-N 3.09Å; N35-Y57 CarbonylContact O-C 3.59Å; N35-Y57 WeakPolarHBondContact O-CA 3.38Å; N35-S58 PolarHBondContact N-O 2.86Å; N35-S58 PolarHBondContact O-N 3.4Å
36M92.3Very high79.6Confident29 Ų2974.3 Ų74.314%0.14343%0.433CS..EExtended strand (participates in β ladder)trans-116139.6-177.2-169.1170.870.800112V34 V55 R56 V122 I124 E134V34-M36 PolarHBondContact O-N 3.32Å; M36-V55 HydrophobicContact SD-CB 4.48Å; M36-R56 CarbonylContact C-O 3.51Å; M36-R56 WeakPolarHBondContact CA-O 3.45Å; M36-V122 HydrophobicContact CE-CG1 3.63Å; M36-V122 HydrophobicContact SD-CG1 3.98Å; M36-I124 HydrophobicContact SD-CD1 3.67Å; M36-I124 HydrophobicContact SD-CG1 3.99Å; M36-E134 WeakPolarHBondContact CE-O 3.26Å
37T93.9Very high82Confident74 Ų7469 Ų6945%0.45441%0.408SS..EExtended strand (participates in β ladder)trans-130.2140.117957.70000111.1R56T37-R56 PolarHBondContact N-O 3.47Å; T37-R56 PolarHBondContact O-N 3.29Å; T37-R56 PolarHBondContact OG1-O 2.9Å
38I95.7Very high84.6Confident51 Ų5164.5 Ų64.526%0.26239%0.394SS..  trans-119.2109.3179.3-59.2-175.8000107.7V55 I137I38-V55 HydrophobicContact CG1-CG1 4.15Å; I38-I137 HydrophobicContact CD1-CG1 4.1Å; I38-I137 HydrophobicContact CG2-CD1 3.82Å; I38-I137 HydrophobicContact CG2-CG1 3.74Å
39P93.1Very high86.9Confident73 Ų7360.2 Ų60.247%0.47437%0.369SS..SBendtrans-68-38-177.725.7-33.4000112.6S54P39-S54 WeakPolarHBondContact CD-O 3.22Å
40N92.6Very high89.1Confident101 Ų10163.4 Ų63.454%0.5437%0.369SS..  trans-134.6114.2-178.6-68.7-40.1000110I43N40-I43 HydrophobicContact CB-CD1 3.87Å
41A93.9Very high91Very high63 Ų6356.5 Ų56.552%0.52134%0.338SS..SBendtrans-82.4-12.1178.500000113.6T138A41-T138 PolarHBondContact O-N 2.73Å
42L96.7Very high92.8Very high85 Ų8556.1 Ų56.145%0.44533%0.332SS..EExtended strand (participates in β ladder)trans-125120176.9176.764.9000110.2T138 T140L42-T138 CarbonylContact C-O 3.57Å; L42-T138 WeakPolarHBondContact CA-O 3.03Å; L42-T138 HydrophobicContact CD1-CG2 4.13Å; L42-T140 HydrophobicContact CD1-CG2 3.99Å
43I97.3Very high94.2Very high27 Ų2755.5 Ų55.514%0.13833%0.326CS..EExtended strand (participates in β ladder)trans-114.8134.3175.9-55.4-59.9000108.7N40 A51 L53 I137 T138 L139 T140N40-I43 HydrophobicContact CB-CD1 3.87Å; I43-A51 HydrophobicContact CG2-CB 4.1Å; I43-L53 HydrophobicContact CB-CD2 4.41Å; I43-L53 HydrophobicContact CG1-CD2 4.16Å; I43-I137 HydrophobicContact CG1-CG2 3.81Å; I43-T138 PolarHBondContact N-O 2.88Å; I43-L139 HydrophobicContact CB-CD1 4.16Å; I43-L139 HydrophobicContact CG2-CD1 3.97Å; I43-L139 WeakPolarHBondContact O-CA 3.5Å; I43-T140 PolarHBondContact O-N 3.19Å
44R96Very high95.1Very high146 Ų14655 Ų5555%0.55132%0.32SS*.EExtended strand (participates in β ladder)trans-110124.5175.9-59.3-173.5177.1-85.11.1109
45G96.3Very high95.6Very high4 Ų454.5 Ų54.54%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-121.9157.6177.300000111.8T140 V141 D142G45-T140 PolarHBondContact N-O 2.97Å; G45-V141 WeakPolarHBondContact O-CA 3.38Å; G45-D142 PolarHBondContact O-N 2.91Å
46A97.3Very high95.9Very high32 Ų3257.5 Ų57.526%0.26432%0.321SS..EExtended strand (participates in β ladder)trans-106.8147.4171.400000110.2G48 G49 D142 L223A46-G48 PolarHBondContact O-N 2.86Å; A46-G49 WeakPolarHBondContact O-CA 3.36Å; A46-G49 PolarHBondContact O-N 3.46Å; A46-D142 CarbonylContact C-O 3.6Å; A46-D142 VanDerWaalsContact CA-O 3.26Å; A46-D142 WeakPolarHBondContact CA-O 3.41Å; A46-L223 HydrophobicContact CB-CD1 3.68Å; A46-L223 HydrophobicContact CB-CD2 4.24Å
47V97.6Very high95.9Very high56 Ų5659 Ų5934%0.33933%0.325SS..THydrogen-bonded Turntrans-52.3133.5174.31760000110.7G49 L112 L114 V141 D142 E143V47-G49 PolarHBondContact O-N 2.89Å; V47-L112 WeakPolarHBondContact CA-O 3.41Å; V47-L114 HydrophobicContact CG2-CD2 3.56Å; V47-L114 HydrophobicContact CG2-CG 3.89Å; V47-V141 HydrophobicContact CG2-CG1 3.98Å; V47-D142 PolarHBondContact N-O 3.31Å; V47-E143 HydrophobicContact CG2-CB 4.02Å; V47-E143 HydrophobicContact CG2-CG 4.34Å
48G96.9Very high95.7Very high46 Ų4658.7 Ų58.747%0.47433%0.326SS..THydrogen-bonded Turntrans78.2-10.9-176.100000115A46 L112A46-G48 PolarHBondContact O-N 2.86Å; G48-L112 PolarHBondContact N-O 2.81Å
49G97Very high95.3Very high27 Ų2758 Ų5828%0.27833%0.325SS..SBendtrans-82.5-157.8175.400000113.3A46 V47 N111 L112A46-G49 WeakPolarHBondContact O-CA 3.36Å; A46-G49 PolarHBondContact O-N 3.46Å; V47-G49 PolarHBondContact O-N 2.89Å; G49-N111 WeakPolarHBondContact O-CA 3.42Å; G49-N111 PolarHBondContact O-N 3.47Å; G49-L112 WeakPolarHBondContact O-CG 3.35Å; G49-L112 PolarHBondContact O-N 2.86Å
50E97.4Very high94.8Very high119 Ų11961.5 Ų61.556%0.55633%0.333SS*.  trans-130.9148-177-50.8-178.3166.100110.5L108 L109 H110E50-L108 HydrophobicContact CB-CD1 4.14Å; E50-L109 CarbonylContact C-O 3.53Å; E50-L109 VanDerWaalsContact CA-O 3.28Å; E50-L109 WeakPolarHBondContact CA-O 3.28Å; E50-H110 VanDerWaalsContact CD-CE1 3.44Å; E50-H110 WeakPolarHBondContact CG-ND1 3.49Å; E50-H110 IonicContact OE1-CE1 3.69Å; E50-H110 PolarHBondContact OE1-CE1 3.35Å; E50-H110 IonicContact OE1-CG 3.51Å; E50-H110 IonicContact OE1-ND1 3.57Å; E50-H110 PolarHBondContact OE1-ND1 3.18Å; E50-H110 IonicContact OE2-CE1 2.7Å; E50-H110 IonicContact OE2-ND1 2.93Å
51A97.8Very high94.3Very high3 Ų357.6 Ų57.63%0.02531%0.314CS..EExtended strand (participates in β ladder)trans-127134.4172.500000110.7I43 L109 L112 L139I43-A51 HydrophobicContact CG2-CB 4.1Å; A51-L109 PolarHBondContact N-O 3.35Å; A51-L109 PolarHBondContact O-N 3.08Å; A51-L112 HydrophobicContact CB-CD1 3.89Å; A51-L112 HydrophobicContact CB-CD2 3.91Å; A51-L112 HydrophobicContact CB-CG 4.42Å; A51-L139 HydrophobicContact CB-CD1 3.61Å; A51-L139 HydrophobicContact CB-CD2 4.04Å; A51-L139 HydrophobicContact CB-CG 4.5Å
52L97.7Very high93.9Very high80 Ų8063 Ų6342%0.41933%0.333SS..EExtended strand (participates in β ladder)trans-106.3106.1175.7-168.472.8000109.7S54 F102 T106 L108L52-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact O-N 3.15Å; L52-F102 HydrophobicContact CD1-CD2 4.49Å; L52-F102 HydrophobicContact CD1-CE2 3.81Å; L52-T106 HydrophobicContact CD1-CG2 3.39Å; L52-T106 HydrophobicContact CD2-CG2 4.39Å; L52-T106 HydrophobicContact CG-CG2 3.69Å; L52-L108 HydrophobicContact CD1-CB 3.87Å; L52-L108 HydrophobicContact CD1-CD1 4.12Å
53L97.9Very high93.5Very high0 Ų062.5 Ų62.50%033%0.331CS..EExtended strand (participates in β ladder)trans-8582.2175.4-55.9-177.9000108.5I43 W69 T106 L107 Y120 I137 L139I43-L53 HydrophobicContact CB-CD2 4.41Å; I43-L53 HydrophobicContact CG1-CD2 4.16Å; L53-W69 HydrophobicContact CB-CH2 3.69Å; L53-W69 HydrophobicContact CB-CZ2 4.23Å; L53-W69 HydrophobicContact CB-CZ3 4.02Å; L53-W69 HydrophobicContact CD1-CE3 4.27Å; L53-W69 HydrophobicContact CD1-CZ3 4.01Å; L53-T106 WeakPolarHBondContact O-CA 3.35Å; L53-T106 WeakPolarHBondContact O-CG2 3.27Å; L53-L107 HydrophobicContact CB-CB 4.3Å; L53-L107 HydrophobicContact CD1-CD2 4.16Å; L53-L107 PolarHBondContact N-O 2.85Å; L53-L107 PolarHBondContact O-N 2.91Å; L53-L107 VanDerWaalsContact O-N 3.16Å; L53-Y120 HydrophobicContact CD1-CD1 3.85Å; L53-Y120 HydrophobicContact CD1-CD2 4.1Å; L53-Y120 HydrophobicContact CD1-CE1 4.38Å; L53-Y120 HydrophobicContact CD1-CG 3.71Å; L53-I137 HydrophobicContact CB-CD1 4.14Å; L53-I137 HydrophobicContact CD2-CB 4.42Å; L53-I137 HydrophobicContact CD2-CG2 3.79Å; L53-L139 HydrophobicContact CD2-CB 4.32Å
54S96.9Very high93.3Very high27 Ų2766.4 Ų66.419%0.18935%0.352CS..  trans-78.1129.5-170.5-169.90000112.5P39 L52 T106 I137P39-S54 WeakPolarHBondContact CD-O 3.22Å; L52-S54 PolarHBondContact O-N 2.94Å; L52-S54 VanDerWaalsContact O-N 3.15Å; S54-T106 WeakPolarHBondContact CA-OG1 3.45Å; S54-I137 WeakPolarHBondContact O-CD1 3.39Å
55V96.1Very high93.2Very high0 Ų059.7 Ų59.70%033%0.327CS..  trans-135.1158.6170.2-56.80000109.4M36 I38 W69 G105 T106 V122 I124 I137M36-V55 HydrophobicContact SD-CB 4.48Å; I38-V55 HydrophobicContact CG1-CG1 4.15Å; V55-W69 HydrophobicContact CG1-CH2 3.8Å; V55-W69 HydrophobicContact CG1-CZ2 3.86Å; V55-W69 HydrophobicContact CG2-CZ2 4.23Å; V55-G105 VanDerWaalsContact CG2-O 3.3Å; V55-G105 WeakPolarHBondContact CG2-O 3.43Å; V55-T106 PolarHBondContact N-OG1 2.84Å; V55-T106 VanDerWaalsContact N-OG1 3.09Å; V55-T106 PolarHBondContact O-OG1 3.35Å; V55-T106 VanDerWaalsContact O-OG1 3.09Å; V55-V122 HydrophobicContact CG1-CG1 3.93Å; V55-I124 HydrophobicContact CG2-CD1 4.31Å; V55-I137 HydrophobicContact CG1-CD1 4.03Å
56R93.6Very high93.1Very high164 Ų16461.5 Ų61.562%0.61934%0.337SS*.EExtended strand (participates in β ladder)trans-135.8132.6169.2-58.5178.8-179.2-173.8-1.5108.3M36 T37M36-R56 CarbonylContact C-O 3.51Å; M36-R56 WeakPolarHBondContact CA-O 3.45Å; T37-R56 PolarHBondContact N-O 3.47Å; T37-R56 PolarHBondContact O-N 3.29Å; T37-R56 PolarHBondContact OG1-O 2.9Å
57Y92.7Very high93.1Very high62 Ų6260 Ų6024%0.24332%0.324CS..EExtended strand (participates in β ladder)trans-124.3159.4172.773.1-86.8000111.1V34 N35 P65 E103 N104 I124 I126V34-Y57 HydrophobicContact CG1-CD2 4.09Å; V34-Y57 HydrophobicContact CG1-CG 4.24Å; N35-Y57 CarbonylContact O-C 3.59Å; N35-Y57 WeakPolarHBondContact O-CA 3.38Å; Y57-P65 HydrophobicContact CE2-CB 4.5Å; Y57-P65 HydrophobicContact CE2-CG 4.5Å; Y57-P65 WeakPolarHBondContact OH-CG 3.43Å; Y57-E103 VanDerWaalsContact CE1-O 3.26Å; Y57-E103 WeakPolarHBondContact CE1-O 3.13Å; Y57-E103 PolarHBondContact OH-O 3.19Å; Y57-N104 VanDerWaalsContact CD1-O 3.26Å; Y57-N104 WeakPolarHBondContact CD1-O 3.31Å; Y57-I124 HydrophobicContact CD1-CD1 3.52Å; Y57-I124 HydrophobicContact CD1-CG2 4.26Å; Y57-I124 HydrophobicContact CD2-CG2 4.33Å; Y57-I124 HydrophobicContact CE1-CD1 4.27Å; Y57-I124 HydrophobicContact CG-CD1 4.01Å; Y57-I124 HydrophobicContact CG-CG2 4.18Å; Y57-I126 HydrophobicContact CD2-CD1 4.3Å; Y57-I126 HydrophobicContact CE2-CD1 4.04Å
58S90.3Very high93Very high67 Ų6759.4 Ų59.447%0.46932%0.318SS..EExtended strand (participates in β ladder)trans-138.4139.5170.260.10000109.6N35N35-S58 PolarHBondContact N-O 2.86Å; N35-S58 PolarHBondContact O-N 3.4Å
59S87.1Confident93Very high35 Ų3557.2 Ų57.225%0.24530%0.295CS..  trans-140.3160.3176172.90000110.2S61 D129S59-S61 PolarHBondContact OG-N 2.87Å; S59-S61 VanDerWaalsContact OG-N 3.11Å; S59-D129 VanDerWaalsContact CB-OD2 3.28Å; S59-D129 WeakPolarHBondContact CB-OD2 3.3Å; S59-D129 PolarHBondContact OG-OD2 3.3Å
60F81.5Confident93Very high147 Ų14758 Ų5865%0.64529%0.291SS*.SBendtrans-87.4-14.3173.8-61.6-76.1000113E30E30-F60 HydrophobicContact CG-CE2 4.19Å; E30-F60 HydrophobicContact CG-CZ 4.46Å; E30-F60 WeakPolarHBondContact OE1-CZ 3.3Å
61S83.2Confident93Very high19 Ų1952.5 Ų52.513%0.13327%0.266CS..  trans-79.6151.8176.6-177.40000111.6S59 D63 D128S59-S61 PolarHBondContact OG-N 2.87Å; S59-S61 VanDerWaalsContact OG-N 3.11Å; S61-D63 PolarHBondContact OG-N 3.48Å; S61-D128 WeakPolarHBondContact CB-OD2 3.26Å; S61-D128 PolarHBondContact OG-OD2 2.86Å
62L84.4Confident92.9Very high176 Ų17657.7 Ų57.792%0.92129%0.289SS*.  trans-96.2-3.7174.5-64.8175.6000112.6
63D89.3Confident92.7Very high75 Ų7559.3 Ų59.340%0.40129%0.29SS..SBendtrans-70.6150.2-179.8-74-17.1000111.6S61 I126 T127S61-D63 PolarHBondContact OG-N 3.48Å; D63-I126 HydrophobicContact CB-CG2 3.95Å; D63-T127 WeakPolarHBondContact OD2-CB 3.25Å
64L91.4Very high92.4Very high109 Ų10969.6 Ų69.657%0.57134%0.338SS*.PPolyproline II helixtrans-67.3133.7177-70.4173.1000110.1I83L64-I83 HydrophobicContact CB-CG2 3.62Å; L64-I83 HydrophobicContact CD1-CG2 3.98Å; L64-I83 HydrophobicContact CG-CG2 4.47Å
65P94.1Very high92Very high6 Ų676.7 Ų76.74%0.03937%0.366CS..PPolyproline II helixtrans-72.3144.2179.133.4-39.9000111.1Y57 I67 I83 G84 I124 S125 I126Y57-P65 HydrophobicContact CE2-CB 4.5Å; Y57-P65 HydrophobicContact CE2-CG 4.5Å; Y57-P65 WeakPolarHBondContact OH-CG 3.43Å; P65-I67 HydrophobicContact CB-CG1 4.19Å; P65-I67 HydrophobicContact CG-CD1 3.95Å; P65-I67 HydrophobicContact CG-CG1 4.12Å; P65-I83 CarbonylContact O-C 3.51Å; P65-I83 WeakPolarHBondContact O-CA 3.13Å; P65-G84 PolarHBondContact O-N 2.65Å; P65-I124 HydrophobicContact CB-CG2 3.84Å; P65-S125 CarbonylContact C-O 3.59Å; P65-S125 WeakPolarHBondContact CA-O 3.27Å; P65-I126 HydrophobicContact CB-CD1 4.31Å; P65-I126 HydrophobicContact CB-CG1 3.8Å
66V95Very high91.8Very high41 Ų4179.2 Ų79.225%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-85.6113.9159.6-178.90000107.5Q81 S82 I83 I124 S125V66-Q81 HydrophobicContact CG1-CG 4.39Å; V66-S82 CarbonylContact C-O 3.57Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.35Å; V66-I83 HydrophobicContact CG2-CG1 3.88Å; V66-I124 WeakPolarHBondContact O-CA 3.3Å; V66-S125 WeakPolarHBondContact CB-OG 3.33Å; V66-S125 PolarHBondContact N-O 2.92Å; V66-S125 PolarHBondContact O-N 3.49Å
67I96.4Very high91.8Very high0 Ų072.5 Ų72.50%036%0.364CS..EExtended strand (participates in β ladder)trans-105.2129.7178.9-61.8154.4000108.4P65 Q81 S82 V101 I124P65-I67 HydrophobicContact CB-CG1 4.19Å; P65-I67 HydrophobicContact CG-CD1 3.95Å; P65-I67 HydrophobicContact CG-CG1 4.12Å; I67-Q81 CarbonylContact O-C 3.48Å; I67-Q81 WeakPolarHBondContact O-CA 3.34Å; I67-S82 PolarHBondContact N-O 3.48Å; I67-S82 PolarHBondContact O-N 2.87Å; I67-V101 HydrophobicContact CD1-CG1 4.11Å; I67-V101 HydrophobicContact CG2-CG1 4.38Å; I67-I124 HydrophobicContact CG1-CG1 4.3Å; I67-I124 HydrophobicContact CG1-CG2 4.35Å
68K96.4Very high92Very high45 Ų4572 Ų7220%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-133.8123.9-178.9177.1172.3153.3-123.20110.2Q70 V122 E123K68-Q70 HydrophobicContact CG-CG 4.12Å; K68-V122 WeakPolarHBondContact O-CA 3.43Å; K68-E123 HydrophobicContact CB-CB 4.4Å; K68-E123 PolarHBondContact N-O 2.93Å; K68-E123 IonicContact NZ-OE2 3.76Å; K68-E123 PolarHBondContact NZ-OE2 3.5Å; K68-E123 PolarHBondContact O-N 2.87Å
69W97.8Very high92.3Very high0 Ų068.9 Ų68.90%035%0.345CS..EExtended strand (participates in β ladder)trans-111.7132175.4-76.792.2000110.3L53 V55 V79 V80 G105 L107 D121 V122 I137L53-W69 HydrophobicContact CB-CH2 3.69Å; L53-W69 HydrophobicContact CB-CZ2 4.23Å; L53-W69 HydrophobicContact CB-CZ3 4.02Å; L53-W69 HydrophobicContact CD1-CE3 4.27Å; L53-W69 HydrophobicContact CD1-CZ3 4.01Å; V55-W69 HydrophobicContact CG1-CH2 3.8Å; V55-W69 HydrophobicContact CG1-CZ2 3.86Å; V55-W69 HydrophobicContact CG2-CZ2 4.23Å; W69-V79 HydrophobicContact CB-CB 4.24Å; W69-V79 PolarHBondContact O-N 3.22Å; W69-V80 HydrophobicContact CB-CG1 3.82Å; W69-V80 HydrophobicContact CG-CG1 4.19Å; W69-V80 PolarHBondContact N-O 3.28Å; W69-V80 PolarHBondContact O-N 3.42Å; W69-G105 PolarHBondContact NE1-O 2.95Å; W69-L107 HydrophobicContact CB-CD2 3.88Å; W69-L107 HydrophobicContact CD2-CB 4.03Å; W69-L107 HydrophobicContact CD2-CD2 3.88Å; W69-L107 HydrophobicContact CE3-CD2 4.38Å; W69-L107 HydrophobicContact CG-CB 4.22Å; W69-L107 HydrophobicContact CG-CD2 3.66Å; W69-L107 HydrophobicContact CZ2-CB 4.04Å; W69-D121 CarbonylContact C-O 3.54Å; W69-D121 WeakPolarHBondContact CA-O 3.27Å; W69-V122 HydrophobicContact CD2-CB 3.81Å; W69-V122 HydrophobicContact CD2-CG2 3.88Å; W69-V122 VanDerWaalsContact CE2-CG2 3.46Å; W69-V122 HydrophobicContact CE3-CB 3.73Å; W69-V122 HydrophobicContact CE3-CG2 4.32Å; W69-V122 HydrophobicContact CG-CG2 4.41Å; W69-V122 HydrophobicContact CH2-CB 3.67Å; W69-V122 HydrophobicContact CH2-CG1 3.93Å; W69-V122 HydrophobicContact CH2-CG2 4.08Å; W69-V122 HydrophobicContact CZ2-CB 3.73Å; W69-V122 HydrophobicContact CZ2-CG1 4.25Å; W69-V122 HydrophobicContact CZ2-CG2 3.59Å; W69-V122 HydrophobicContact CZ3-CB 3.67Å; W69-V122 HydrophobicContact CZ3-CG1 4.17Å; W69-V122 HydrophobicContact CZ3-CG2 4.43Å; W69-I137 HydrophobicContact CH2-CD1 3.88Å; W69-I137 HydrophobicContact CH2-CG1 4.48Å; W69-I137 HydrophobicContact CZ3-CD1 4.43Å
70Q97.1Very high92.8Very high43 Ų4367.2 Ų67.220%0.20133%0.334CS..EExtended strand (participates in β ladder)trans-132.5132.5179.8-56.8-165.3-62.400111.1K68 V77 T78 Y120 D121K68-Q70 HydrophobicContact CG-CG 4.12Å; Q70-V77 CarbonylContact C-O 3.58Å; Q70-V77 WeakPolarHBondContact CA-O 2.95Å; Q70-T78 PolarHBondContact NE2-OG1 2.82Å; Q70-Y120 CarbonylContact O-C 3.57Å; Q70-Y120 VanDerWaalsContact O-CA 3.29Å; Q70-Y120 WeakPolarHBondContact O-CA 3.49Å; Q70-D121 PolarHBondContact N-O 3.36Å; Q70-D121 PolarHBondContact O-N 2.95Å
71L97.1Very high93.5Very high3 Ų364.1 Ų64.12%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-84.5121.7171.2176.458.7000109.1R73 V77 V79 Y95 T119 Y120L71-R73 HydrophobicContact CG-CG 4.16Å; L71-R73 PolarHBondContact O-N 3.47Å; L71-V77 HydrophobicContact CB-CB 4.29Å; L71-V77 PolarHBondContact N-O 3.38Å; L71-V77 PolarHBondContact O-N 2.86Å; L71-V79 HydrophobicContact CB-CG2 3.87Å; L71-Y95 WeakPolarHBondContact CD2-OH 3.44Å; L71-T119 WeakPolarHBondContact CD1-O 3.48Å; L71-Y120 HydrophobicContact CB-CD1 4.3Å; L71-Y120 HydrophobicContact CB-CE1 4.08Å; L71-Y120 HydrophobicContact CD1-CD1 4.46Å; L71-Y120 HydrophobicContact CD1-CD2 3.97Å; L71-Y120 HydrophobicContact CD1-CE1 4.19Å; L71-Y120 HydrophobicContact CD1-CE2 3.64Å; L71-Y120 HydrophobicContact CD1-CG 4.35Å
72Q95.8Very high94.2Very high112 Ų11263.2 Ų63.252%0.52332%0.315SS..  trans-67.9114.7178.2-162.5-179.321.300109.9T119Q72-T119 VanDerWaalsContact CB-O 3.24Å; Q72-T119 WeakPolarHBondContact CB-O 3.43Å; Q72-T119 PolarHBondContact N-O 3.45Å
73R93.4Very high94.7Very high115 Ų11558.2 Ų58.243%0.43429%0.288SS..SBendtrans-141.2177.9176.3-64.4-66.2-171.3-152.3-0.9107.9L71 K75 V77 S115 D117L71-R73 HydrophobicContact CG-CG 4.16Å; L71-R73 PolarHBondContact O-N 3.47Å; R73-K75 WeakPolarHBondContact CB-O 3.25Å; R73-K75 PolarHBondContact O-N 3.23Å; R73-K75 VanDerWaalsContact O-N 3.15Å; R73-V77 HydrophobicContact CB-CG2 4.37Å; R73-V77 HydrophobicContact CG-CG2 4.01Å; R73-S115 PolarHBondContact NH2-O 2.79Å; R73-D117 PolarHBondContact NH1-O 3.1Å; R73-D117 VanDerWaalsContact NH1-O 3.17Å; R73-D117 PolarHBondContact NH2-O 3.44Å
74E90.1Very high94.9Very high215 Ų21554.9 Ų54.9100%1.00527%0.271SS*.SBendtrans-51-38.9172.1-67.2-175.8176.100112
75K90.3Very high95Very high177 Ų17752.6 Ų52.677%0.7726%0.262SS*.SBendtrans-119.4115.1165.5-175.4176.4-177.6176.80108.5R73 V77R73-K75 WeakPolarHBondContact CB-O 3.25Å; R73-K75 PolarHBondContact O-N 3.23Å; R73-K75 VanDerWaalsContact O-N 3.15Å; K75-V77 PolarHBondContact O-N 2.91Å
76A90.5Very high95.1Very high53 Ų5357.8 Ų57.844%0.43829%0.289SS..  trans-50.1126.7-178.500000111.6
77V94.9Very high95.1Very high23 Ų2359.2 Ų59.214%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-99.3113-178.9177.80000107.4Q70 L71 R73 K75 V79 Y95Q70-V77 CarbonylContact C-O 3.58Å; Q70-V77 WeakPolarHBondContact CA-O 2.95Å; L71-V77 HydrophobicContact CB-CB 4.29Å; L71-V77 PolarHBondContact N-O 3.38Å; L71-V77 PolarHBondContact O-N 2.86Å; R73-V77 HydrophobicContact CB-CG2 4.37Å; R73-V77 HydrophobicContact CG-CG2 4.01Å; K75-V77 PolarHBondContact O-N 2.91Å; V77-V79 PolarHBondContact O-N 2.83Å; V77-Y95 HydrophobicContact CG1-CE2 4.17Å
78T95.8Very high94.9Very high51 Ų5162.7 Ų62.731%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-70.1120.5173.6-55.80000109.1Q70Q70-T78 PolarHBondContact NE2-OG1 2.82Å
79V96.9Very high94.7Very high1 Ų163.6 Ų63.61%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-85.6-49.8-179.1179.70000109.2W69 L71 V77 L91 Y95 I99 L107 Y120W69-V79 HydrophobicContact CB-CB 4.24Å; W69-V79 PolarHBondContact O-N 3.22Å; L71-V79 HydrophobicContact CB-CG2 3.87Å; V77-V79 PolarHBondContact O-N 2.83Å; V79-L91 WeakPolarHBondContact O-CD2 3.04Å; V79-Y95 HydrophobicContact CB-CD2 4.48Å; V79-Y95 HydrophobicContact CB-CE2 4.32Å; V79-Y95 HydrophobicContact CG1-CD1 3.95Å; V79-Y95 HydrophobicContact CG1-CD2 4.14Å; V79-Y95 HydrophobicContact CG1-CE1 4.02Å; V79-Y95 HydrophobicContact CG1-CE2 4.22Å; V79-Y95 HydrophobicContact CG1-CG 4.02Å; V79-Y95 HydrophobicContact CG2-CE2 4.05Å; V79-I99 HydrophobicContact CG1-CG2 4.45Å; V79-L107 HydrophobicContact CG1-CD2 3.98Å; V79-Y120 HydrophobicContact CG1-CE1 4.5Å; V79-Y120 HydrophobicContact CG2-CD1 3.96Å; V79-Y120 HydrophobicContact CG2-CE1 3.73Å
80V97.4Very high94.3Very high1 Ų170.6 Ų70.61%0.00638%0.378CS..EExtended strand (participates in β ladder)trans-155.1149.717659.40000110.9W69 I87 L91 I99 V101 L107W69-V80 HydrophobicContact CB-CG1 3.82Å; W69-V80 HydrophobicContact CG-CG1 4.19Å; W69-V80 PolarHBondContact N-O 3.28Å; W69-V80 PolarHBondContact O-N 3.42Å; V80-I87 HydrophobicContact CG2-CD1 4.25Å; V80-I87 HydrophobicContact CG2-CG1 4.04Å; V80-I87 HydrophobicContact CG2-CG2 4.08Å; V80-L91 HydrophobicContact CB-CD2 4.19Å; V80-L91 HydrophobicContact CG2-CD2 4.16Å; V80-I99 HydrophobicContact CB-CD1 3.54Å; V80-I99 HydrophobicContact CG1-CD1 4.29Å; V80-I99 HydrophobicContact CG2-CD1 3.66Å; V80-V101 HydrophobicContact CB-CG2 4.5Å; V80-V101 HydrophobicContact CG1-CG2 3.88Å; V80-V101 HydrophobicContact CG2-CG2 3.86Å; V80-L107 HydrophobicContact CG1-CD1 4.09Å; V80-L107 HydrophobicContact CG1-CD2 4.28Å
81Q96.6Very high94.2Very high82 Ų8269.8 Ų69.838%0.38338%0.375SS..EExtended strand (participates in β ladder)trans-131132.3165-173.7172.117.900108V66 I67 I88V66-Q81 HydrophobicContact CG1-CG 4.39Å; I67-Q81 CarbonylContact O-C 3.48Å; I67-Q81 WeakPolarHBondContact O-CA 3.34Å; Q81-I88 PolarHBondContact O-N 2.83Å
82S97Very high94.1Very high0 Ų074.8 Ų74.80%039%0.394CS..EExtended strand (participates in β ladder)trans-140.2156.9-179.664.10000112.2V66 I67 G84 D86V66-S82 CarbonylContact C-O 3.57Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.35Å; I67-S82 PolarHBondContact N-O 3.48Å; I67-S82 PolarHBondContact O-N 2.87Å; S82-G84 WeakPolarHBondContact CB-O 3.4Å; S82-G84 PolarHBondContact OG-O 2.94Å; S82-D86 CarbonylContact C-O 3.48Å; S82-D86 WeakPolarHBondContact CA-O 3.33Å; S82-D86 WeakPolarHBondContact CB-O 3.3Å
83I95.7Very high94Very high70 Ų7075.2 Ų75.236%0.35941%0.406SS..EExtended strand (participates in β ladder)trans-106.6117.1161.7-75.9161.5000106.2L64 P65 V66 T85 D86 I88L64-I83 HydrophobicContact CB-CG2 3.62Å; L64-I83 HydrophobicContact CD1-CG2 3.98Å; L64-I83 HydrophobicContact CG-CG2 4.47Å; P65-I83 CarbonylContact O-C 3.51Å; P65-I83 WeakPolarHBondContact O-CA 3.13Å; V66-I83 HydrophobicContact CG2-CG1 3.88Å; I83-T85 PolarHBondContact O-N 2.82Å; I83-D86 PolarHBondContact N-O 3.37Å; I83-D86 PolarHBondContact O-N 2.9Å; I83-I88 HydrophobicContact CB-CD1 3.71Å; I83-I88 HydrophobicContact CD1-CD1 3.29Å; I83-I88 HydrophobicContact CG1-CD1 3.25Å
84G92.3Very high94.1Very high5 Ų573.4 Ų73.45%0.05240%0.403CS..THydrogen-bonded Turntrans55.4-123.2-162.900000110P65 S82P65-G84 PolarHBondContact O-N 2.65Å; S82-G84 WeakPolarHBondContact CB-O 3.4Å; S82-G84 PolarHBondContact OG-O 2.94Å
85T93.8Very high94.4Very high61 Ų6163.2 Ų63.237%0.37436%0.355SS..THydrogen-bonded Turntrans-94.7-7.6176.653.20000113.7I83 I87 V101 E103I83-T85 PolarHBondContact O-N 2.82Å; T85-I87 PolarHBondContact O-N 3.45Å; T85-V101 WeakPolarHBondContact CG2-O 3.39Å; T85-E103 HydrophobicContact CG2-CB 4.49Å; T85-E103 HydrophobicContact CG2-CG 3.73Å
86D95.9Very high94.6Very high115 Ų11559 Ų5962%0.61534%0.338SS*.EExtended strand (participates in β ladder)trans-82.2115.4-177.3-68.8-38000110.8S82 I83S82-D86 CarbonylContact C-O 3.48Å; S82-D86 WeakPolarHBondContact CA-O 3.33Å; S82-D86 WeakPolarHBondContact CB-O 3.3Å; I83-D86 PolarHBondContact N-O 3.37Å; I83-D86 PolarHBondContact O-N 2.9Å
87I95.7Very high94.8Very high72 Ų7263.4 Ų63.437%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-71.9135.8-178.5-59177.7000110.6V80 T85 L91 I99V80-I87 HydrophobicContact CG2-CD1 4.25Å; V80-I87 HydrophobicContact CG2-CG1 4.04Å; V80-I87 HydrophobicContact CG2-CG2 4.08Å; T85-I87 PolarHBondContact O-N 3.45Å; I87-L91 HydrophobicContact CD1-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CD1 4.06Å; I87-L91 HydrophobicContact CG2-CD2 3.95Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; I87-I99 HydrophobicContact CD1-CD1 4.06Å; I87-I99 HydrophobicContact CD1-CG1 4.43Å
88I93.3Very high94.9Very high72 Ų7262.9 Ų62.937%0.36935%0.35SS..  trans-115141.3-176.5-60.2163000110.5Q81 I83Q81-I88 PolarHBondContact O-N 2.83Å; I83-I88 HydrophobicContact CB-CD1 3.71Å; I83-I88 HydrophobicContact CD1-CD1 3.29Å; I83-I88 HydrophobicContact CG1-CD1 3.25Å
89G90.6Very high94.9Very high65 Ų6561.4 Ų61.467%0.6734%0.34SS*.SBendtrans77.1-164.6178.300000112.5
90T90.9Very high94.9Very high146 Ų14665.3 Ų65.390%0.89636%0.36SS*.PPolyproline II helixtrans-99.3116.7-178.6-51.60000109.6
91L94.5Very high94.9Very high27 Ų2765.6 Ų65.614%0.14136%0.362CS..PPolyproline II helixtrans-65.2150.8172.1-72.5172.6000111V79 V80 I87 I99V79-L91 WeakPolarHBondContact O-CD2 3.04Å; V80-L91 HydrophobicContact CB-CD2 4.19Å; V80-L91 HydrophobicContact CG2-CD2 4.16Å; I87-L91 HydrophobicContact CD1-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CD1 4.06Å; I87-L91 HydrophobicContact CG2-CD2 3.95Å; I87-L91 HydrophobicContact CG2-CG 3.88Å; L91-I99 HydrophobicContact CD1-CD1 3.82Å; L91-I99 HydrophobicContact CD1-CG1 4.24Å; L91-I99 HydrophobicContact CD2-CD1 3.64Å; L91-I99 HydrophobicContact CG-CD1 4.4Å
92R94.5Very high94.9Very high108 Ų10865.4 Ų65.441%0.40836%0.36SS..PPolyproline II helixtrans-67142172.2-67.1175.5172.7-95.9-4.6109.4E94 Y95 Q96R92-E94 HydrophobicContact CB-CG 3.91Å; R92-E94 PolarHBondContact O-N 3.47Å; R92-Y95 HydrophobicContact CB-CD2 4.14Å; R92-Y95 PolarHBondContact O-N 2.84Å; R92-Q96 PolarHBondContact O-N 3.06Å; R92-Q96 VanDerWaalsContact O-N 3.14Å
93P94.8Very high94.7Very high121 Ų12172.6 Ų72.679%0.78639%0.394SS*.THydrogen-bonded Turntrans-54.5-28.7178.8-2734.4000113.8Y95P93-Y95 VanDerWaalsContact C-N 3.34Å; P93-Y95 PolarHBondContact O-N 3.28Å
94E94.9Very high94.6Very high76 Ų7672.4 Ų72.436%0.35539%0.393SS..THydrogen-bonded Turntrans-69.2-25.4177.667.5-153-146.500114R92 R98R92-E94 HydrophobicContact CB-CG 3.91Å; R92-E94 PolarHBondContact O-N 3.47Å; E94-R98 PolarHBondContact O-NE 3.47Å; E94-R98 PolarHBondContact O-NH2 3.16Å
95Y95.9Very high94.7Very high2 Ų272.1 Ų72.11%0.00839%0.391CS..THydrogen-bonded Turntrans-106.8-8.9179.4-62.3-64000113.6L71 V77 V79 R92 P93 D97 R98 I99 L109L71-Y95 WeakPolarHBondContact CD2-OH 3.44Å; V77-Y95 HydrophobicContact CG1-CE2 4.17Å; V79-Y95 HydrophobicContact CB-CD2 4.48Å; V79-Y95 HydrophobicContact CB-CE2 4.32Å; V79-Y95 HydrophobicContact CG1-CD1 3.95Å; V79-Y95 HydrophobicContact CG1-CD2 4.14Å; V79-Y95 HydrophobicContact CG1-CE1 4.02Å; V79-Y95 HydrophobicContact CG1-CE2 4.22Å; V79-Y95 HydrophobicContact CG1-CG 4.02Å; V79-Y95 HydrophobicContact CG2-CE2 4.05Å; R92-Y95 HydrophobicContact CB-CD2 4.14Å; R92-Y95 PolarHBondContact O-N 2.84Å; P93-Y95 VanDerWaalsContact C-N 3.34Å; P93-Y95 PolarHBondContact O-N 3.28Å; Y95-D97 PolarHBondContact O-N 3.38Å; Y95-R98 PolarHBondContact O-N 3.2Å; Y95-R98 VanDerWaalsContact O-N 3.1Å; Y95-I99 HydrophobicContact CD1-CG2 4.43Å; Y95-L109 HydrophobicContact CD1-CD1 4Å; Y95-L109 HydrophobicContact CE1-CD1 4.43Å
96Q94.6Very high94.8Very high87 Ų8769.4 Ų69.441%0.40737%0.374SS..THydrogen-bonded Turntrans-52.4129.7177-168.566.636.400110.8R92 R98R92-Q96 PolarHBondContact O-N 3.06Å; R92-Q96 VanDerWaalsContact O-N 3.14Å; Q96-R98 PolarHBondContact O-N 3.45Å
97D94.2Very high95Very high147 Ų14764 Ų6479%0.78635%0.345SS*.THydrogen-bonded Turntrans59.215179.2-45.1-34.5000115.2Y95Y95-D97 PolarHBondContact O-N 3.38Å
98R97Very high95.1Very high11 Ų1161.6 Ų61.64%0.04233%0.333CS..THydrogen-bonded Turntrans-113.4-8.6177.4-60.8-159.8-58.4134.92.8113.9E94 Y95 Q96 L109 H110 N111 D116E94-R98 PolarHBondContact O-NE 3.47Å; E94-R98 PolarHBondContact O-NH2 3.16Å; Y95-R98 PolarHBondContact O-N 3.2Å; Y95-R98 VanDerWaalsContact O-N 3.1Å; Q96-R98 PolarHBondContact O-N 3.45Å; R98-L109 HydrophobicContact CB-CD1 4.11Å; R98-L109 CarbonylContact O-C 3.56Å; R98-L109 WeakPolarHBondContact O-CA 3.38Å; R98-H110 PolarHBondContact NH1-O 3.35Å; R98-H110 PolarHBondContact O-N 2.94Å; R98-N111 PolarHBondContact NH1-O 2.78Å; R98-D116 IonicContact CZ-OD1 2.86Å; R98-D116 IonicContact CZ-OD2 3.69Å; R98-D116 IonicContact NH1-OD1 3.82Å; R98-D116 IonicContact NH1-OD2 3.59Å; R98-D116 PolarHBondContact NH1-OD2 3.42Å; R98-D116 IonicContact NH2-OD1 2.75Å; R98-D116 PolarHBondContact NH2-OD1 3.01Å; R98-D116 IonicContact NH2-OD2 3.94Å; R98-D116 PolarHBondContact NH2-OD2 2.99Å
99I97.1Very high95.3Very high20 Ų2058.2 Ų58.210%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-115.9147.5-172.957.9162.5000112.2V79 V80 I87 L91 Y95 L107 L108 L109V79-I99 HydrophobicContact CG1-CG2 4.45Å; V80-I99 HydrophobicContact CB-CD1 3.54Å; V80-I99 HydrophobicContact CG1-CD1 4.29Å; V80-I99 HydrophobicContact CG2-CD1 3.66Å; I87-I99 HydrophobicContact CD1-CD1 4.06Å; I87-I99 HydrophobicContact CD1-CG1 4.43Å; L91-I99 HydrophobicContact CD1-CD1 3.82Å; L91-I99 HydrophobicContact CD1-CG1 4.24Å; L91-I99 HydrophobicContact CD2-CD1 3.64Å; L91-I99 HydrophobicContact CG-CD1 4.4Å; Y95-I99 HydrophobicContact CD1-CG2 4.43Å; I99-L107 HydrophobicContact CB-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CD1 4.1Å; I99-L108 CarbonylContact C-O 3.57Å; I99-L108 VanDerWaalsContact CA-O 3.3Å; I99-L108 WeakPolarHBondContact CA-O 3.24Å; I99-L109 HydrophobicContact CG2-CD1 3.59Å
100L96.9Very high95.7Very high83 Ų8357.9 Ų57.944%0.43530%0.296SS..EExtended strand (participates in β ladder)trans-138.3125.9170-179.768.6000108.9F102 L108L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CE2 4.38Å; L100-F102 HydrophobicContact CD2-CZ 3.75Å; L100-F102 HydrophobicContact CG-CZ 4.39Å; L100-L108 HydrophobicContact CB-CB 4.25Å; L100-L108 HydrophobicContact CD2-CD2 4.28Å; L100-L108 PolarHBondContact N-O 3.34Å; L100-L108 PolarHBondContact O-N 3.06Å
101V97Very high96Very high7 Ų754.9 Ų54.94%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-100.3130.6176.3-176.80000108.8I67 V80 T85 L107I67-V101 HydrophobicContact CD1-CG1 4.11Å; I67-V101 HydrophobicContact CG2-CG1 4.38Å; V80-V101 HydrophobicContact CB-CG2 4.5Å; V80-V101 HydrophobicContact CG1-CG2 3.88Å; V80-V101 HydrophobicContact CG2-CG2 3.86Å; T85-V101 WeakPolarHBondContact CG2-O 3.39Å; V101-L107 HydrophobicContact CG2-CD1 4.18Å
102F96.6Very high96.2Very high79 Ų7953.6 Ų53.635%0.34627%0.268SS..  trans-96.1157.5175.9-64.9-82.5000111.6L52 L100 N104 G105 T106 L108L52-F102 HydrophobicContact CD1-CD2 4.49Å; L52-F102 HydrophobicContact CD1-CE2 3.81Å; L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CE2 4.38Å; L100-F102 HydrophobicContact CD2-CZ 3.75Å; L100-F102 HydrophobicContact CG-CZ 4.39Å; F102-N104 VanDerWaalsContact CB-OD1 3.29Å; F102-N104 WeakPolarHBondContact CB-OD1 3.31Å; F102-N104 PolarHBondContact O-N 2.71Å; F102-N104 VanDerWaalsContact O-N 3.08Å; F102-G105 PolarHBondContact O-N 3.02Å; F102-T106 HydrophobicContact CD2-CG2 3.77Å; F102-T106 WeakPolarHBondContact CD2-O 3.33Å; F102-T106 HydrophobicContact CE2-CG2 4.25Å; F102-T106 PolarHBondContact N-O 3.23Å; F102-L108 HydrophobicContact CE2-CB 3.78Å; F102-L108 HydrophobicContact CE2-CD2 4.44Å; F102-L108 HydrophobicContact CZ-CB 4.42Å; F102-L108 HydrophobicContact CZ-CD2 4.29Å
103E93Very high96.3Very high151 Ų15153.6 Ų53.671%0.70627%0.268SS*.THydrogen-bonded Turntrans-55.8-28.6179.2-65-179172.100113.6Y57 T85 G105Y57-E103 VanDerWaalsContact CE1-O 3.26Å; Y57-E103 WeakPolarHBondContact CE1-O 3.13Å; Y57-E103 PolarHBondContact OH-O 3.19Å; T85-E103 HydrophobicContact CG2-CB 4.49Å; T85-E103 HydrophobicContact CG2-CG 3.73Å; E103-G105 VanDerWaalsContact C-N 3.25Å; E103-G105 PolarHBondContact O-N 2.92Å
104N93.5Very high96.3Very high65 Ų6552 Ų5235%0.34825%0.252SS..THydrogen-bonded Turntrans-82.75.8177.970.5-4.3000114.1Y57 F102 T106Y57-N104 VanDerWaalsContact CD1-O 3.26Å; Y57-N104 WeakPolarHBondContact CD1-O 3.31Å; F102-N104 VanDerWaalsContact CB-OD1 3.29Å; F102-N104 WeakPolarHBondContact CB-OD1 3.31Å; F102-N104 PolarHBondContact O-N 2.71Å; F102-N104 VanDerWaalsContact O-N 3.08Å; N104-T106 VanDerWaalsContact C-N 3.35Å; N104-T106 PolarHBondContact ND2-OG1 2.8Å; N104-T106 WeakPolarHBondContact OD1-CB 3.29Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 2.98Å
105G93.9Very high96.4Very high0 Ų051.7 Ų51.70%026%0.259CS..SBendtrans89.3-8.7-179.200000115V55 W69 F102 E103V55-G105 VanDerWaalsContact CG2-O 3.3Å; V55-G105 WeakPolarHBondContact CG2-O 3.43Å; W69-G105 PolarHBondContact NE1-O 2.95Å; F102-G105 PolarHBondContact O-N 3.02Å; E103-G105 VanDerWaalsContact C-N 3.25Å; E103-G105 PolarHBondContact O-N 2.92Å
106T97.3Very high96.4Very high4 Ų451.7 Ų51.73%0.02526%0.259CS..  trans-64.2140.3-178.7-67.10000110.8L52 L53 S54 V55 F102 N104L52-T106 HydrophobicContact CD1-CG2 3.39Å; L52-T106 HydrophobicContact CD2-CG2 4.39Å; L52-T106 HydrophobicContact CG-CG2 3.69Å; L53-T106 WeakPolarHBondContact O-CA 3.35Å; L53-T106 WeakPolarHBondContact O-CG2 3.27Å; S54-T106 WeakPolarHBondContact CA-OG1 3.45Å; V55-T106 PolarHBondContact N-OG1 2.84Å; V55-T106 VanDerWaalsContact N-OG1 3.09Å; V55-T106 PolarHBondContact O-OG1 3.35Å; V55-T106 VanDerWaalsContact O-OG1 3.09Å; F102-T106 HydrophobicContact CD2-CG2 3.77Å; F102-T106 WeakPolarHBondContact CD2-O 3.33Å; F102-T106 HydrophobicContact CE2-CG2 4.25Å; F102-T106 PolarHBondContact N-O 3.23Å; N104-T106 VanDerWaalsContact C-N 3.35Å; N104-T106 PolarHBondContact ND2-OG1 2.8Å; N104-T106 WeakPolarHBondContact OD1-CB 3.29Å; N104-T106 PolarHBondContact OD1-N 2.93Å; N104-T106 PolarHBondContact OD1-OG1 2.98Å
107L98Very high96.5Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-110.7122.4174.617462.4000110.1L53 W69 V79 V80 I99 V101L53-L107 HydrophobicContact CB-CB 4.3Å; L53-L107 HydrophobicContact CD1-CD2 4.16Å; L53-L107 PolarHBondContact N-O 2.85Å; L53-L107 PolarHBondContact O-N 2.91Å; L53-L107 VanDerWaalsContact O-N 3.16Å; W69-L107 HydrophobicContact CB-CD2 3.88Å; W69-L107 HydrophobicContact CD2-CB 4.03Å; W69-L107 HydrophobicContact CD2-CD2 3.88Å; W69-L107 HydrophobicContact CE3-CD2 4.38Å; W69-L107 HydrophobicContact CG-CB 4.22Å; W69-L107 HydrophobicContact CG-CD2 3.66Å; W69-L107 HydrophobicContact CZ2-CB 4.04Å; V79-L107 HydrophobicContact CG1-CD2 3.98Å; V80-L107 HydrophobicContact CG1-CD1 4.09Å; V80-L107 HydrophobicContact CG1-CD2 4.28Å; I99-L107 HydrophobicContact CB-CD1 3.92Å; I99-L107 HydrophobicContact CG2-CD1 4.1Å; V101-L107 HydrophobicContact CG2-CD1 4.18Å
108L98Very high96.7Very high22 Ų2242.6 Ų42.612%0.11522%0.216CC..EExtended strand (participates in β ladder)trans-97.2128.9167173.663.9000109.2E50 L52 I99 L100 F102 H110E50-L108 HydrophobicContact CB-CD1 4.14Å; L52-L108 HydrophobicContact CD1-CB 3.87Å; L52-L108 HydrophobicContact CD1-CD1 4.12Å; I99-L108 CarbonylContact C-O 3.57Å; I99-L108 VanDerWaalsContact CA-O 3.3Å; I99-L108 WeakPolarHBondContact CA-O 3.24Å; L100-L108 HydrophobicContact CB-CB 4.25Å; L100-L108 HydrophobicContact CD2-CD2 4.28Å; L100-L108 PolarHBondContact N-O 3.34Å; L100-L108 PolarHBondContact O-N 3.06Å; F102-L108 HydrophobicContact CE2-CB 3.78Å; F102-L108 HydrophobicContact CE2-CD2 4.44Å; F102-L108 HydrophobicContact CZ-CB 4.42Å; F102-L108 HydrophobicContact CZ-CD2 4.29Å; L108-H110 VanDerWaalsContact CD2-CE1 3.44Å; L108-H110 WeakPolarHBondContact CD2-CE1 3.16Å; L108-H110 VanDerWaalsContact CD2-NE2 3.26Å; L108-H110 WeakPolarHBondContact CD2-NE2 3.24Å
109L98.4Very high96.7Very high1 Ų143.7 Ų43.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-118.2114.1176.4-179.265.2000109.5E50 A51 Y95 R98 I99 L112 D116 L139E50-L109 CarbonylContact C-O 3.53Å; E50-L109 VanDerWaalsContact CA-O 3.28Å; E50-L109 WeakPolarHBondContact CA-O 3.28Å; A51-L109 PolarHBondContact N-O 3.35Å; A51-L109 PolarHBondContact O-N 3.08Å; Y95-L109 HydrophobicContact CD1-CD1 4Å; Y95-L109 HydrophobicContact CE1-CD1 4.43Å; R98-L109 HydrophobicContact CB-CD1 4.11Å; R98-L109 CarbonylContact O-C 3.56Å; R98-L109 WeakPolarHBondContact O-CA 3.38Å; I99-L109 HydrophobicContact CG2-CD1 3.59Å; L109-L112 HydrophobicContact CB-CD2 4.26Å; L109-L112 HydrophobicContact CD2-CD2 3.66Å; L109-L112 HydrophobicContact CG-CD2 3.82Å; L109-D116 HydrophobicContact CD2-CB 3.94Å; L109-L139 HydrophobicContact CD2-CD2 4.36Å
110H98.3Very high96.8Very high58 Ų5842.8 Ų42.827%0.26922%0.219SC..  trans-88.2159.9177.8-65.1-76.8000112.5E50 R98 L108 L112E50-H110 VanDerWaalsContact CD-CE1 3.44Å; E50-H110 WeakPolarHBondContact CG-ND1 3.49Å; E50-H110 IonicContact OE1-CE1 3.69Å; E50-H110 PolarHBondContact OE1-CE1 3.35Å; E50-H110 IonicContact OE1-CG 3.51Å; E50-H110 IonicContact OE1-ND1 3.57Å; E50-H110 PolarHBondContact OE1-ND1 3.18Å; E50-H110 IonicContact OE2-CE1 2.7Å; E50-H110 IonicContact OE2-ND1 2.93Å; R98-H110 PolarHBondContact NH1-O 3.35Å; R98-H110 PolarHBondContact O-N 2.94Å; L108-H110 VanDerWaalsContact CD2-CE1 3.44Å; L108-H110 WeakPolarHBondContact CD2-CE1 3.16Å; L108-H110 VanDerWaalsContact CD2-NE2 3.26Å; L108-H110 WeakPolarHBondContact CD2-NE2 3.24Å; H110-L112 PolarHBondContact O-N 3.15Å
111N97.6Very high96.8Very high83 Ų8341.2 Ų41.244%0.44421%0.211SC..SBendtrans48.459.7174.9-174.121.4000111.5G49 R98G49-N111 WeakPolarHBondContact O-CA 3.42Å; G49-N111 PolarHBondContact O-N 3.47Å; R98-N111 PolarHBondContact NH1-O 2.78Å
112L98.1Very high96.8Very high1 Ų141 Ų411%0.00521%0.21CC..  trans-56.8140.2-175.7-68.6175.6000112.3V47 G48 G49 A51 L109 H110 L139 V141V47-L112 WeakPolarHBondContact CA-O 3.41Å; G48-L112 PolarHBondContact N-O 2.81Å; G49-L112 WeakPolarHBondContact O-CG 3.35Å; G49-L112 PolarHBondContact O-N 2.86Å; A51-L112 HydrophobicContact CB-CD1 3.89Å; A51-L112 HydrophobicContact CB-CD2 3.91Å; A51-L112 HydrophobicContact CB-CG 4.42Å; L109-L112 HydrophobicContact CB-CD2 4.26Å; L109-L112 HydrophobicContact CD2-CD2 3.66Å; L109-L112 HydrophobicContact CG-CD2 3.82Å; H110-L112 PolarHBondContact O-N 3.15Å; L112-L139 HydrophobicContact CD2-CD2 4.07Å; L112-V141 HydrophobicContact CB-CG1 4.07Å
113R97.1Very high96.8Very high108 Ų10840 Ų4041%0.40821%0.206SC..  trans-119.3156.7176.5-59.9175.9-177.2179.51.8109.5S115 D116R113-S115 PolarHBondContact O-N 2.86Å; R113-S115 VanDerWaalsContact O-N 3.15Å; R113-D116 PolarHBondContact N-OD2 2.03Å; R113-D116 VanDerWaalsContact O-CB 3.32Å; R113-D116 WeakPolarHBondContact O-CB 3.38Å; R113-D116 PolarHBondContact O-N 2.83Å
114L96.2Very high96.9Very high86 Ų8632.9 Ų32.945%0.4517%0.173SC..G310 helixtrans-58.9-27.8174.9-64.5177.8000112.6V47 D116 D117 V141 T174V47-L114 HydrophobicContact CG2-CD2 3.56Å; V47-L114 HydrophobicContact CG2-CG 3.89Å; L114-D116 PolarHBondContact O-N 2.81Å; L114-D117 VanDerWaalsContact O-CB 3.32Å; L114-D117 WeakPolarHBondContact O-CB 3.42Å; L114-D117 PolarHBondContact O-N 2.98Å; L114-V141 HydrophobicContact CD2-CG1 4.45Å; L114-T174 HydrophobicContact CD1-CG2 4.2Å; L114-T174 HydrophobicContact CD2-CG2 3.81Å
115S95.5Very high96.9Very high71 Ų7131.5 Ų31.550%0.49717%0.168SC..G310 helixtrans-69.5-16.9174.857.20000114.2R73 R113 D117R73-S115 PolarHBondContact NH2-O 2.79Å; R113-S115 PolarHBondContact O-N 2.86Å; R113-S115 VanDerWaalsContact O-N 3.15Å; S115-D117 VanDerWaalsContact C-N 3.27Å
116D96.9Very high96.8Very high1 Ų131.9 Ų31.91%0.00517%0.17CC..G310 helixtrans-82-7.8177.8-56.3-35.1000111.6R98 L109 R113 L114 G118 Y120 V141R98-D116 IonicContact CZ-OD1 2.86Å; R98-D116 IonicContact CZ-OD2 3.69Å; R98-D116 IonicContact NH1-OD1 3.82Å; R98-D116 IonicContact NH1-OD2 3.59Å; R98-D116 PolarHBondContact NH1-OD2 3.42Å; R98-D116 IonicContact NH2-OD1 2.75Å; R98-D116 PolarHBondContact NH2-OD1 3.01Å; R98-D116 IonicContact NH2-OD2 3.94Å; R98-D116 PolarHBondContact NH2-OD2 2.99Å; L109-D116 HydrophobicContact CD2-CB 3.94Å; R113-D116 PolarHBondContact N-OD2 2.03Å; R113-D116 VanDerWaalsContact O-CB 3.32Å; R113-D116 WeakPolarHBondContact O-CB 3.38Å; R113-D116 PolarHBondContact O-N 2.83Å; L114-D116 PolarHBondContact O-N 2.81Å; D116-G118 PolarHBondContact O-N 3.46Å; D116-Y120 VanDerWaalsContact O-CE2 3.25Å; D116-Y120 WeakPolarHBondContact O-CE2 3.34Å; D116-Y120 PolarHBondContact O-OH 2.84Å; D116-V141 HydrophobicContact CB-CG2 4.36Å
117D97.1Very high96Very high33 Ų3337.3 Ų37.318%0.17620%0.203CC..  trans-65.6125.7175.5-171-65.2000111.2R73 L114 S115 L139 T140 V141 R175R73-D117 PolarHBondContact NH1-O 3.1Å; R73-D117 VanDerWaalsContact NH1-O 3.17Å; R73-D117 PolarHBondContact NH2-O 3.44Å; L114-D117 VanDerWaalsContact O-CB 3.32Å; L114-D117 WeakPolarHBondContact O-CB 3.42Å; L114-D117 PolarHBondContact O-N 2.98Å; S115-D117 VanDerWaalsContact C-N 3.27Å; D117-L139 WeakPolarHBondContact CA-O 3.49Å; D117-T140 WeakPolarHBondContact OD2-CA 3.44Å; D117-V141 HydrophobicContact CB-CB 4.32Å; D117-V141 HydrophobicContact CB-CG2 4.39Å; D117-V141 PolarHBondContact OD2-N 2.81Å; D117-R175 VanDerWaalsContact CG-NH2 3.35Å; D117-R175 IonicContact OD1-NH2 3.54Å; D117-R175 PolarHBondContact OD1-NH2 3.48Å; D117-R175 IonicContact OD2-CZ 2.67Å; D117-R175 IonicContact OD2-NH1 2.69Å; D117-R175 PolarHBondContact OD2-NH1 2.85Å; D117-R175 VanDerWaalsContact OD2-NH1 3.17Å; D117-R175 IonicContact OD2-NH2 3.85Å; D117-R175 PolarHBondContact OD2-NH2 3.21Å
118G97Very high95Very high11 Ų1142.2 Ų42.211%0.11323%0.23CC..EExtended strand (participates in β ladder)trans156.8-173.9178.400000113.9D116 L139D116-G118 PolarHBondContact O-N 3.46Å; G118-L139 PolarHBondContact N-O 3.38Å; G118-L139 PolarHBondContact O-N 3.05Å
119T98.2Very high94Very high34 Ų3442.2 Ų42.221%0.20923%0.23CC..EExtended strand (participates in β ladder)trans-94.3129.2177.1-58.60000110.1L71 Q72 T138L71-T119 WeakPolarHBondContact CD1-O 3.48Å; Q72-T119 VanDerWaalsContact CB-O 3.24Å; Q72-T119 WeakPolarHBondContact CB-O 3.43Å; Q72-T119 PolarHBondContact N-O 3.45Å; T119-T138 PolarHBondContact OG1-OG1 2.8Å
120Y98.2Very high92.9Very high0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-107.5121.2179.6-70.9-104.2000109.4L53 Q70 L71 V79 D116 S136 I137 L139L53-Y120 HydrophobicContact CD1-CD1 3.85Å; L53-Y120 HydrophobicContact CD1-CD2 4.1Å; L53-Y120 HydrophobicContact CD1-CE1 4.38Å; L53-Y120 HydrophobicContact CD1-CG 3.71Å; Q70-Y120 CarbonylContact O-C 3.57Å; Q70-Y120 VanDerWaalsContact O-CA 3.29Å; Q70-Y120 WeakPolarHBondContact O-CA 3.49Å; L71-Y120 HydrophobicContact CB-CD1 4.3Å; L71-Y120 HydrophobicContact CB-CE1 4.08Å; L71-Y120 HydrophobicContact CD1-CD1 4.46Å; L71-Y120 HydrophobicContact CD1-CD2 3.97Å; L71-Y120 HydrophobicContact CD1-CE1 4.19Å; L71-Y120 HydrophobicContact CD1-CE2 3.64Å; L71-Y120 HydrophobicContact CD1-CG 4.35Å; V79-Y120 HydrophobicContact CG1-CE1 4.5Å; V79-Y120 HydrophobicContact CG2-CD1 3.96Å; V79-Y120 HydrophobicContact CG2-CE1 3.73Å; D116-Y120 VanDerWaalsContact O-CE2 3.25Å; D116-Y120 WeakPolarHBondContact O-CE2 3.34Å; D116-Y120 PolarHBondContact O-OH 2.84Å; Y120-S136 CarbonylContact O-C 3.55Å; Y120-S136 VanDerWaalsContact O-CA 3.3Å; Y120-S136 WeakPolarHBondContact O-CA 3.33Å; Y120-I137 PolarHBondContact N-O 2.87Å; Y120-I137 PolarHBondContact O-N 2.8Å; Y120-L139 HydrophobicContact CD2-CB 4.07Å; Y120-L139 HydrophobicContact CE2-CB 3.82Å; Y120-L139 HydrophobicContact CE2-CD2 3.96Å; Y120-L139 HydrophobicContact CE2-CG 4.48Å
121D97.4Very high92.1Very high50 Ų5051.2 Ų51.227%0.26727%0.273SS..EExtended strand (participates in β ladder)trans-91.4137173.2-61.4-39000109.5W69 Q70 G135 S136W69-D121 CarbonylContact C-O 3.54Å; W69-D121 WeakPolarHBondContact CA-O 3.27Å; Q70-D121 PolarHBondContact N-O 3.36Å; Q70-D121 PolarHBondContact O-N 2.95Å; D121-G135 WeakPolarHBondContact CA-O 3.33Å; D121-S136 VanDerWaalsContact OD1-CB 3.3Å; D121-S136 WeakPolarHBondContact OD1-CB 3.5Å; D121-S136 PolarHBondContact OD1-OG 3.02Å
122V97.1Very high91.8Very high3 Ų349.9 Ų49.92%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-120131.317660.80000109.9M36 V55 K68 W69 I124 E134 G135M36-V122 HydrophobicContact CE-CG1 3.63Å; M36-V122 HydrophobicContact SD-CG1 3.98Å; V55-V122 HydrophobicContact CG1-CG1 3.93Å; K68-V122 WeakPolarHBondContact O-CA 3.43Å; W69-V122 HydrophobicContact CD2-CB 3.81Å; W69-V122 HydrophobicContact CD2-CG2 3.88Å; W69-V122 VanDerWaalsContact CE2-CG2 3.46Å; W69-V122 HydrophobicContact CE3-CB 3.73Å; W69-V122 HydrophobicContact CE3-CG2 4.32Å; W69-V122 HydrophobicContact CG-CG2 4.41Å; W69-V122 HydrophobicContact CH2-CB 3.67Å; W69-V122 HydrophobicContact CH2-CG1 3.93Å; W69-V122 HydrophobicContact CH2-CG2 4.08Å; W69-V122 HydrophobicContact CZ2-CB 3.73Å; W69-V122 HydrophobicContact CZ2-CG1 4.25Å; W69-V122 HydrophobicContact CZ2-CG2 3.59Å; W69-V122 HydrophobicContact CZ3-CB 3.67Å; W69-V122 HydrophobicContact CZ3-CG1 4.17Å; W69-V122 HydrophobicContact CZ3-CG2 4.43Å; V122-I124 HydrophobicContact CG2-CD1 4.4Å; V122-I124 HydrophobicContact CG2-CG1 4.05Å; V122-E134 WeakPolarHBondContact O-CA 2.97Å; V122-G135 PolarHBondContact N-O 2.7Å; V122-G135 PolarHBondContact O-N 3.17Å; V122-G135 VanDerWaalsContact O-N 3.1Å
123E95.9Very high91.5Very high59 Ų5950 Ų5028%0.27627%0.27SS..EExtended strand (participates in β ladder)trans-125122.3177.4-176.3-172.6174.400107.7K68 G133K68-E123 HydrophobicContact CB-CB 4.4Å; K68-E123 PolarHBondContact N-O 2.93Å; K68-E123 IonicContact NZ-OE2 3.76Å; K68-E123 PolarHBondContact NZ-OE2 3.5Å; K68-E123 PolarHBondContact O-N 2.87Å; E123-G133 CarbonylContact C-O 3.49Å; E123-G133 WeakPolarHBondContact CA-O 3.37Å
124I95.4Very high91.4Very high0 Ų051.6 Ų51.60%028%0.281CS..EExtended strand (participates in β ladder)trans-119.8120.3177.6-55.1-175000108V34 M36 V55 Y57 P65 V66 I67 V122 T132 G133V34-I124 HydrophobicContact CG1-CB 4.32Å; V34-I124 HydrophobicContact CG1-CG2 4.12Å; M36-I124 HydrophobicContact SD-CD1 3.67Å; M36-I124 HydrophobicContact SD-CG1 3.99Å; V55-I124 HydrophobicContact CG2-CD1 4.31Å; Y57-I124 HydrophobicContact CD1-CD1 3.52Å; Y57-I124 HydrophobicContact CD1-CG2 4.26Å; Y57-I124 HydrophobicContact CD2-CG2 4.33Å; Y57-I124 HydrophobicContact CE1-CD1 4.27Å; Y57-I124 HydrophobicContact CG-CD1 4.01Å; Y57-I124 HydrophobicContact CG-CG2 4.18Å; P65-I124 HydrophobicContact CB-CG2 3.84Å; V66-I124 WeakPolarHBondContact O-CA 3.3Å; I67-I124 HydrophobicContact CG1-CG1 4.3Å; I67-I124 HydrophobicContact CG1-CG2 4.35Å; V122-I124 HydrophobicContact CG2-CD1 4.4Å; V122-I124 HydrophobicContact CG2-CG1 4.05Å; I124-T132 CarbonylContact O-C 3.51Å; I124-T132 WeakPolarHBondContact O-CA 3.2Å; I124-G133 PolarHBondContact N-O 3.45Å; I124-G133 PolarHBondContact O-N 2.87Å
125S93.6Very high91.4Very high36 Ų3648.4 Ų48.425%0.25227%0.269SS..EExtended strand (participates in β ladder)trans-125.8141.6179.6630000110.6P65 V66P65-S125 CarbonylContact C-O 3.59Å; P65-S125 WeakPolarHBondContact CA-O 3.27Å; V66-S125 WeakPolarHBondContact CB-OG 3.33Å; V66-S125 PolarHBondContact N-O 2.92Å; V66-S125 PolarHBondContact O-N 3.49Å
126I91.6Very high91.4Very high9 Ų947.8 Ų47.85%0.04627%0.265CS..  trans-130.7140.4179-58169.4000107.4V34 Y57 D63 P65 D128 D129V34-I126 HydrophobicContact CG2-CB 4.44Å; V34-I126 HydrophobicContact CG2-CD1 3.96Å; V34-I126 HydrophobicContact CG2-CG1 4.11Å; Y57-I126 HydrophobicContact CD2-CD1 4.3Å; Y57-I126 HydrophobicContact CE2-CD1 4.04Å; D63-I126 HydrophobicContact CB-CG2 3.95Å; P65-I126 HydrophobicContact CB-CD1 4.31Å; P65-I126 HydrophobicContact CB-CG1 3.8Å; I126-D128 VanDerWaalsContact C-N 3.26Å; I126-D128 PolarHBondContact O-N 3.44Å; I126-D128 VanDerWaalsContact O-N 3.16Å; I126-D129 HydrophobicContact CB-CB 4.48Å; I126-D129 PolarHBondContact O-N 3.02Å
127T81.5Confident91.5Very high117 Ų11747.8 Ų47.872%0.71827%0.265SS*.THydrogen-bonded Turntrans-58.4-32.9-165.2-54.50000114.2D63D63-T127 WeakPolarHBondContact OD2-CB 3.25Å
128D75.4Confident91.6Very high104 Ų10448.8 Ų48.856%0.55627%0.272SS*.THydrogen-bonded Turntrans-88.4-11.1178.9-60-40.6000114.2S61 I126S61-D128 WeakPolarHBondContact CB-OD2 3.26Å; S61-D128 PolarHBondContact OG-OD2 2.86Å; I126-D128 VanDerWaalsContact C-N 3.26Å; I126-D128 PolarHBondContact O-N 3.44Å; I126-D128 VanDerWaalsContact O-N 3.16Å
129D77.4Confident91.6Very high21 Ų2148.2 Ų48.211%0.11227%0.267CS..  trans-91.6129.4-178.5-73.8-28.5000111G32 A33 V34 S59 I126 F131G32-D129 WeakPolarHBondContact CA-OD1 3.17Å; A33-D129 PolarHBondContact N-OD1 3.4Å; V34-D129 HydrophobicContact CG2-CB 4.04Å; V34-D129 VanDerWaalsContact CG2-OD2 3.24Å; V34-D129 WeakPolarHBondContact CG2-OD2 3.36Å; S59-D129 VanDerWaalsContact CB-OD2 3.28Å; S59-D129 WeakPolarHBondContact CB-OD2 3.3Å; S59-D129 PolarHBondContact OG-OD2 3.3Å; I126-D129 HydrophobicContact CB-CB 4.48Å; I126-D129 PolarHBondContact O-N 3.02Å; D129-F131 VanDerWaalsContact C-N 3.33Å
130I74.9Confident91.6Very high129 Ų12947.5 Ų47.566%0.66226%0.263SS*.SBendtrans-74.4-30.3-179.8-58.6173.4000110.6V31 G32V31-I130 HydrophobicContact CG1-CD1 4.49Å; G32-I130 PolarHBondContact O-N 3.39Å
131F82.9Confident91.6Very high120 Ų12047.6 Ų47.653%0.52626%0.263SS..BIsolated β-bridgetrans-114.2129.2-177-65-80.1000111.8V31 A33 V34 D129V31-F131 HydrophobicContact CG1-CD2 3.77Å; V31-F131 HydrophobicContact CG1-CE2 3.56Å; A33-F131 HydrophobicContact CB-CB 3.86Å; A33-F131 HydrophobicContact CB-CD2 4.32Å; V34-F131 PolarHBondContact N-O 3.42Å; V34-F131 VanDerWaalsContact N-O 3.13Å; D129-F131 VanDerWaalsContact C-N 3.33Å
132T90.7Very high91.6Very high55 Ų5545.2 Ų45.234%0.33725%0.251SS..  trans-77146.9174.852.30000111.1I124 E134I124-T132 CarbonylContact O-C 3.51Å; I124-T132 WeakPolarHBondContact O-CA 3.2Å; T132-E134 PolarHBondContact OG1-OE1 2.99Å
133G91.9Very high91.6Very high3 Ų347.5 Ų47.53%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-83121.1169.800000108.9E123 I124E123-G133 CarbonylContact C-O 3.49Å; E123-G133 WeakPolarHBondContact CA-O 3.37Å; I124-G133 PolarHBondContact N-O 3.45Å; I124-G133 PolarHBondContact O-N 2.87Å
134E94.8Very high91.6Very high141 Ų14148 Ų4866%0.65927%0.269SS*.EExtended strand (participates in β ladder)trans-124.4146.7-178.7-68.5-177.8-176.100112.1M36 V122 T132M36-E134 WeakPolarHBondContact CE-O 3.26Å; V122-E134 WeakPolarHBondContact O-CA 2.97Å; T132-E134 PolarHBondContact OG1-OE1 2.99Å
135G95.2Very high91.7Very high19 Ų1949.2 Ų49.220%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-175.4173.2176.600000112.7D121 V122D121-G135 WeakPolarHBondContact CA-O 3.33Å; V122-G135 PolarHBondContact N-O 2.7Å; V122-G135 PolarHBondContact O-N 3.17Å; V122-G135 VanDerWaalsContact O-N 3.1Å
136S97.1Very high91.9Very high59 Ų5948.7 Ų48.741%0.41327%0.272SS..EExtended strand (participates in β ladder)trans-138.3139.9-174-51.10000111.2Y120 D121Y120-S136 CarbonylContact O-C 3.55Å; Y120-S136 VanDerWaalsContact O-CA 3.3Å; Y120-S136 WeakPolarHBondContact O-CA 3.33Å; D121-S136 VanDerWaalsContact OD1-CB 3.3Å; D121-S136 WeakPolarHBondContact OD1-CB 3.5Å; D121-S136 PolarHBondContact OD1-OG 3.02Å
137I98.3Very high92.1Very high0 Ų055.3 Ų55.30%030%0.296CS..EExtended strand (participates in β ladder)trans-128.3127.8176-56.4-175.7000109.3I38 I43 L53 S54 V55 W69 Y120I38-I137 HydrophobicContact CD1-CG1 4.1Å; I38-I137 HydrophobicContact CG2-CD1 3.82Å; I38-I137 HydrophobicContact CG2-CG1 3.74Å; I43-I137 HydrophobicContact CG1-CG2 3.81Å; L53-I137 HydrophobicContact CB-CD1 4.14Å; L53-I137 HydrophobicContact CD2-CB 4.42Å; L53-I137 HydrophobicContact CD2-CG2 3.79Å; S54-I137 WeakPolarHBondContact O-CD1 3.39Å; V55-I137 HydrophobicContact CG1-CD1 4.03Å; W69-I137 HydrophobicContact CH2-CD1 3.88Å; W69-I137 HydrophobicContact CH2-CG1 4.48Å; W69-I137 HydrophobicContact CZ3-CD1 4.43Å; Y120-I137 PolarHBondContact N-O 2.87Å; Y120-I137 PolarHBondContact O-N 2.8Å
138T98.3Very high92.9Very high54 Ų5449.9 Ų49.933%0.33126%0.263SS..EExtended strand (participates in β ladder)trans-89.7123.3173.7-56.70000110.3A41 L42 I43 T119A41-T138 PolarHBondContact O-N 2.73Å; L42-T138 CarbonylContact C-O 3.57Å; L42-T138 WeakPolarHBondContact CA-O 3.03Å; L42-T138 HydrophobicContact CD1-CG2 4.13Å; I43-T138 PolarHBondContact N-O 2.88Å; T119-T138 PolarHBondContact OG1-OG1 2.8Å
139L98.1Very high93.9Very high0 Ų049.2 Ų49.20%025%0.253CS..EExtended strand (participates in β ladder)trans-104.7120.6171.6173.760.2000109.4I43 A51 L53 L109 L112 D117 G118 Y120 V141I43-L139 HydrophobicContact CB-CD1 4.16Å; I43-L139 HydrophobicContact CG2-CD1 3.97Å; I43-L139 WeakPolarHBondContact O-CA 3.5Å; A51-L139 HydrophobicContact CB-CD1 3.61Å; A51-L139 HydrophobicContact CB-CD2 4.04Å; A51-L139 HydrophobicContact CB-CG 4.5Å; L53-L139 HydrophobicContact CD2-CB 4.32Å; L109-L139 HydrophobicContact CD2-CD2 4.36Å; L112-L139 HydrophobicContact CD2-CD2 4.07Å; D117-L139 WeakPolarHBondContact CA-O 3.49Å; G118-L139 PolarHBondContact N-O 3.38Å; G118-L139 PolarHBondContact O-N 3.05Å; Y120-L139 HydrophobicContact CD2-CB 4.07Å; Y120-L139 HydrophobicContact CE2-CB 3.82Å; Y120-L139 HydrophobicContact CE2-CD2 3.96Å; Y120-L139 HydrophobicContact CE2-CG 4.48Å; L139-V141 HydrophobicContact CD1-CG2 4.32Å; L139-V141 HydrophobicContact CD2-CG2 4.1Å; L139-V141 HydrophobicContact CG-CG2 3.92Å
140T97.6Very high94.9Very high19 Ų1949.2 Ų49.212%0.11725%0.253CS..EExtended strand (participates in β ladder)trans-101.8126.8168.1610000109.5L42 I43 G45 D117L42-T140 HydrophobicContact CD1-CG2 3.99Å; I43-T140 PolarHBondContact O-N 3.19Å; G45-T140 PolarHBondContact N-O 2.97Å; D117-T140 WeakPolarHBondContact OD2-CA 3.44Å
141V97.9Very high95.9Very high1 Ų147 Ų471%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-110.6122.4176.4-172.70000108.8G45 V47 L112 L114 D116 D117 L139 R175G45-V141 WeakPolarHBondContact O-CA 3.38Å; V47-V141 HydrophobicContact CG2-CG1 3.98Å; L112-V141 HydrophobicContact CB-CG1 4.07Å; L114-V141 HydrophobicContact CD2-CG1 4.45Å; D116-V141 HydrophobicContact CB-CG2 4.36Å; D117-V141 HydrophobicContact CB-CB 4.32Å; D117-V141 HydrophobicContact CB-CG2 4.39Å; D117-V141 PolarHBondContact OD2-N 2.81Å; L139-V141 HydrophobicContact CD1-CG2 4.32Å; L139-V141 HydrophobicContact CD2-CG2 4.1Å; L139-V141 HydrophobicContact CG-CG2 3.92Å; V141-R175 PolarHBondContact O-NH1 3.28Å; V141-R175 VanDerWaalsContact O-NH1 3.15Å
142D97.8Very high96.3Very high1 Ų143.6 Ų43.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-118148179.1-72.5-58.2000111.7G45 A46 V47 T174 R175 P222 L223G45-D142 PolarHBondContact O-N 2.91Å; A46-D142 CarbonylContact C-O 3.6Å; A46-D142 VanDerWaalsContact CA-O 3.26Å; A46-D142 WeakPolarHBondContact CA-O 3.41Å; V47-D142 PolarHBondContact N-O 3.31Å; D142-T174 WeakPolarHBondContact CA-OG1 3.49Å; D142-T174 WeakPolarHBondContact CB-OG1 3.44Å; D142-T174 PolarHBondContact OD1-OG1 2.88Å; D142-R175 WeakPolarHBondContact OD1-CD 3.49Å; D142-R175 IonicContact OD1-CZ 3.39Å; D142-R175 IonicContact OD1-NH1 3.58Å; D142-R175 PolarHBondContact OD1-NH1 3.14Å; D142-R175 IonicContact OD2-NH1 3.21Å; D142-P222 WeakPolarHBondContact OD2-CG 3.45Å; D142-L223 HydrophobicContact CB-CD1 3.89Å; D142-L223 HydrophobicContact CB-CD2 4.42Å; D142-L223 HydrophobicContact CB-CG 3.87Å; D142-L223 WeakPolarHBondContact O-CD1 3.31Å
143E97.2Very high96.2Very high51 Ų5149.4 Ų49.424%0.23825%0.249CC..PPolyproline II helixtrans-94.8132172.9-166.9179-151.900109.8V47 N172 G173 T174 N221V47-E143 HydrophobicContact CG2-CB 4.02Å; V47-E143 HydrophobicContact CG2-CG 4.34Å; E143-N172 HydrophobicContact CG-CB 4.27Å; E143-G173 WeakPolarHBondContact O-CA 3.44Å; E143-G173 PolarHBondContact OE2-N 3.06Å; E143-T174 HydrophobicContact CB-CG2 3.89Å; E143-T174 PolarHBondContact N-OG1 2.91Å; E143-T174 PolarHBondContact O-N 2.9Å; E143-N221 PolarHBondContact O-ND2 3.01Å
144P96.2Very high96.1Very high69 Ų6951.3 Ų51.345%0.44827%0.265SS..PPolyproline II helixtrans-57.4143.6175.5-23.933000112.6S146 L223P144-S146 PolarHBondContact O-N 3.15Å; P144-L223 HydrophobicContact CG-CD1 3.96Å
145I97.6Very high95.8Very high25 Ų2548.5 Ų48.513%0.12826%0.261CS..PPolyproline II helixtrans-73.8123.8179.5-64.1159.1000110.2N172 T176 V219 E220 N221 M226I145-N172 WeakPolarHBondContact CA-O 3.26Å; I145-T176 HydrophobicContact CD1-CG2 4.43Å; I145-T176 HydrophobicContact CG1-CG2 4.09Å; I145-V219 HydrophobicContact CD1-CB 4.4Å; I145-V219 HydrophobicContact CD1-CG1 3.93Å; I145-V219 HydrophobicContact CG1-CG1 4.27Å; I145-V219 HydrophobicContact CG2-CB 4.06Å; I145-V219 HydrophobicContact CG2-CG1 3.99Å; I145-E220 VanDerWaalsContact CD1-C 3.44Å; I145-N221 HydrophobicContact CD1-CB 3.54Å; I145-N221 VanDerWaalsContact CD1-CG 3.48Å; I145-N221 VanDerWaalsContact CD1-N 3.26Å; I145-N221 HydrophobicContact CG1-CB 3.9Å; I145-M226 HydrophobicContact CB-CB 4.26Å; I145-M226 HydrophobicContact CG2-CB 3.76Å
146S96.9Very high95.7Very high26 Ų2650.1 Ų50.118%0.18227%0.269CS..PPolyproline II helixtrans-69.4157.2165.962.30000111.5P144 P148 E171 N172P144-S146 PolarHBondContact O-N 3.15Å; S146-P148 VanDerWaalsContact O-CD 3.28Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å; S146-P148 VanDerWaalsContact O-N 3.08Å; S146-E171 PolarHBondContact OG-N 2.9Å; S146-N172 PolarHBondContact N-O 2.81Å; S146-N172 PolarHBondContact OG-N 2.81Å; S146-N172 PolarHBondContact OG-O 2.96Å
147R97.2Very high95.5Very high148 Ų14848 Ų4856%0.55825%0.253SS*.PPolyproline II helixtrans-56.6117.7179.2-175.4178.2-65.5-87.82.5110.7M226R147-M226 HydrophobicContact CB-CE 3.82Å; R147-M226 HydrophobicContact CG-CE 3.85Å
148P97.8Very high95.3Very high2 Ų251.4 Ų51.41%0.01327%0.272CS..PPolyproline II helixtrans-73.8157.8179.527.8-29.3000111S146 S169 H170 V219 M226 S228S146-P148 VanDerWaalsContact O-CD 3.28Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å; S146-P148 VanDerWaalsContact O-N 3.08Å; P148-S169 CarbonylContact C-O 3.56Å; P148-S169 WeakPolarHBondContact CA-O 3.41Å; P148-S169 WeakPolarHBondContact CB-O 3.31Å; P148-H170 HydrophobicContact CB-CB 4.21Å; P148-V219 HydrophobicContact CB-CG2 3.71Å; P148-V219 HydrophobicContact CG-CB 4.39Å; P148-V219 HydrophobicContact CG-CG2 3.85Å; P148-M226 VanDerWaalsContact CD-CG 3.47Å; P148-S228 WeakPolarHBondContact O-CA 3.47Å; P148-S228 VanDerWaalsContact O-CB 3.26Å; P148-S228 WeakPolarHBondContact O-CB 3.28Å
149Y96.8Very high95.1Very high91 Ų9151 Ų5136%0.35727%0.266SS..EExtended strand (participates in β ladder)trans-136.5155.117652.8-102.2000109.9H151 S169 E171Y149-H151 AromaticContact CD2-CD2 3.75Å; Y149-H151 AromaticContact CD2-CE1 3.99Å; Y149-H151 AromaticContact CD2-NE2 3.53Å; Y149-H151 AromaticContact CE2-CD2 3.37Å; Y149-H151 WeakPolarHBondContact CE2-CD2 3.48Å; Y149-H151 AromaticContact CE2-CE1 3.8Å; Y149-H151 AromaticContact CE2-NE2 2.97Å; Y149-H151 WeakPolarHBondContact CE2-NE2 2.92Å; Y149-H151 AromaticContact CZ-NE2 3.93Å; Y149-S169 VanDerWaalsContact CE2-CB 3.44Å; Y149-S169 PolarHBondContact N-O 2.84Å; Y149-S169 PolarHBondContact O-N 2.97Å; Y149-E171 HydrophobicContact CE1-CG 4.43Å
150I97.4Very high94.8Very high20 Ų2055.4 Ų55.410%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-107.5123-179.6-61162.3000109.6L166 N167 W180 C217 S228 I231I150-L166 HydrophobicContact CG2-CB 4.12Å; I150-L166 HydrophobicContact CG2-CD2 4.04Å; I150-N167 CarbonylContact C-O 3.55Å; I150-N167 WeakPolarHBondContact CA-O 3.22Å; I150-W180 HydrophobicContact CD1-CH2 4.18Å; I150-W180 HydrophobicContact CD1-CZ3 3.69Å; I150-W180 HydrophobicContact CG1-CH2 4Å; I150-W180 HydrophobicContact CG1-CZ3 4.04Å; I150-W180 HydrophobicContact CG2-CH2 3.86Å; I150-W180 HydrophobicContact CG2-CZ3 4.18Å; I150-C217 HydrophobicContact CD1-CB 4.3Å; I150-C217 HydrophobicContact CG1-CB 4.39Å; I150-C217 VanDerWaalsContact CG1-SG 3.58Å; I150-S228 WeakPolarHBondContact CD1-OG 3.48Å; I150-I231 HydrophobicContact CB-CD1 3.75Å; I150-I231 HydrophobicContact CB-CG1 4.31Å; I150-I231 HydrophobicContact CD1-CD1 3.74Å; I150-I231 HydrophobicContact CD1-CG1 3.76Å; I150-I231 HydrophobicContact CG1-CD1 4.34Å; I150-I231 HydrophobicContact CG2-CD1 3.42Å; I150-I231 VanDerWaalsContact CG2-CD1 3.42Å; I150-I231 HydrophobicContact CG2-CG1 4.46Å
151H95.4Very high94.5Very high83 Ų8356.3 Ų56.338%0.38430%0.296SS..EExtended strand (participates in β ladder)trans-90.8138.1169.8-76.2-56.2000110.8Y149 N167Y149-H151 AromaticContact CD2-CD2 3.75Å; Y149-H151 AromaticContact CD2-CE1 3.99Å; Y149-H151 AromaticContact CD2-NE2 3.53Å; Y149-H151 AromaticContact CE2-CD2 3.37Å; Y149-H151 WeakPolarHBondContact CE2-CD2 3.48Å; Y149-H151 AromaticContact CE2-CE1 3.8Å; Y149-H151 AromaticContact CE2-NE2 2.97Å; Y149-H151 WeakPolarHBondContact CE2-NE2 2.92Å; Y149-H151 AromaticContact CZ-NE2 3.93Å; H151-N167 HydrophobicContact CB-CB 4.27Å; H151-N167 PolarHBondContact N-O 3.45Å; H151-N167 PolarHBondContact O-N 2.81Å
152M93Very high94.2Very high49 Ų4962.6 Ų62.624%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-147.1154.3174.669.8178.472.600109.9S155 F164 L166 I231M152-S155 VanDerWaalsContact SD-CA 3.58Å; M152-F164 HydrophobicContact CB-CZ 4.13Å; M152-F164 HydrophobicContact SD-CZ 4.26Å; M152-L166 HydrophobicContact CB-CD2 3.89Å; M152-L166 HydrophobicContact CE-CD2 3.79Å; M152-I231 HydrophobicContact CE-CB 3.83Å; M152-I231 HydrophobicContact CE-CD1 3.06Å; M152-I231 HydrophobicContact CE-CG1 3.98Å; M152-I231 HydrophobicContact CE-CG2 4.25Å
153E87.6Confident93.9Very high176 Ų17667.4 Ų67.482%0.82235%0.351SS*.SBendtrans-67.8-37.8179.7-64.5-174.7166.200112.6
154A89.3Confident93.7Very high43 Ų4365.4 Ų65.436%0.35534%0.341SS..  trans-154.3146.7177.900000110.7S156 F164A154-S156 WeakPolarHBondContact CB-O 2.94Å; A154-S156 PolarHBondContact O-N 2.92Å; A154-F164 WeakPolarHBondContact O-CE2 3.49Å; A154-F164 VanDerWaalsContact O-CZ 3.24Å; A154-F164 WeakPolarHBondContact O-CZ 3.49Å
155S90.1Very high93.7Very high83 Ų8364 Ų6458%0.5833%0.332SS*.SBendtrans-70.5-5.7173.558.60000113.9M152 A234M152-S155 VanDerWaalsContact SD-CA 3.58Å; S155-A234 PolarHBondContact O-N 2.79Å
156S91.9Very high93.6Very high53 Ų5362.9 Ų62.937%0.37133%0.326SS..EExtended strand (participates in β ladder)trans-136.4140.4179.859.30000111.3A154 A234A154-S156 WeakPolarHBondContact CB-O 2.94Å; A154-S156 PolarHBondContact O-N 2.92Å; S156-A234 CarbonylContact C-O 3.56Å; S156-A234 VanDerWaalsContact CA-O 3.28Å; S156-A234 WeakPolarHBondContact CA-O 3.01Å
157V94Very high93.6Very high13 Ų1362.2 Ų62.28%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-135.2152.1179.664.50000110.5F164 V207 L233 A234 V235 Y236V157-F164 HydrophobicContact CB-CD2 3.86Å; V157-F164 HydrophobicContact CB-CE2 4.11Å; V157-F164 HydrophobicContact CB-CG 4.44Å; V157-F164 HydrophobicContact CG1-CD2 4.42Å; V157-F164 HydrophobicContact CG2-CB 4.33Å; V157-F164 HydrophobicContact CG2-CD2 3.8Å; V157-F164 HydrophobicContact CG2-CG 4.29Å; V157-V207 HydrophobicContact CG1-CG1 3.78Å; V157-V207 HydrophobicContact CG1-CG2 4.45Å; V157-V207 HydrophobicContact CG2-CG2 4.24Å; V157-L233 HydrophobicContact CB-CD1 4.48Å; V157-L233 HydrophobicContact CG1-CD1 3.79Å; V157-L233 HydrophobicContact CG1-CD2 4.49Å; V157-L233 HydrophobicContact CG1-CG 4.32Å; V157-A234 PolarHBondContact N-O 2.86Å; V157-V235 HydrophobicContact CG1-CG2 3.97Å; V157-V235 WeakPolarHBondContact O-CA 3.37Å; V157-Y236 PolarHBondContact O-N 2.91Å
158L92.8Very high93.6Very high73 Ų7355.2 Ų55.238%0.38229%0.294SS..EExtended strand (participates in β ladder)trans-80.1143.2174.2-64177.4000110.7S161 Y236 V241L158-S161 VanDerWaalsContact O-CB 3.3Å; L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.82Å; L158-S161 VanDerWaalsContact O-N 3.1Å; L158-Y236 WeakPolarHBondContact CA-O 3.33Å; L158-V241 HydrophobicContact CD2-CB 4.5Å; L158-V241 HydrophobicContact CD2-CG2 3.65Å
159E94.1Very high93.6Very high46 Ų4655.4 Ų55.422%0.21530%0.295CS..THydrogen-bonded Turntrans-55.8139.4167.9-166.8-172.2-156.300110.1S161 M209 V235 Y236 R237E159-S161 PolarHBondContact O-N 2.89Å; E159-M209 HydrophobicContact CG-CG 4.31Å; E159-M209 WeakPolarHBondContact OE1-CG 3.42Å; E159-V235 HydrophobicContact CB-CG1 4.19Å; E159-Y236 PolarHBondContact N-O 2.93Å; E159-R237 WeakPolarHBondContact OE2-CD 3.1Å; E159-R237 VanDerWaalsContact OE2-CG 3.27Å; E159-R237 WeakPolarHBondContact OE2-CG 3.13Å
160L91.6Very high93.5Very high91 Ų9152.5 Ų52.548%0.47629%0.285SS..THydrogen-bonded Turntrans64.622.4-173.4-51.3169.6000114E162 V207L160-E162 PolarHBondContact O-N 3.4Å; L160-V207 PolarHBondContact N-O 2.81Å
161S92Very high93.5Very high39 Ų3959 Ų5927%0.27332%0.315SS..  trans-62132.3163.2-169.70000109.1L158 E159 R206 V207L158-S161 VanDerWaalsContact O-CB 3.3Å; L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.82Å; L158-S161 VanDerWaalsContact O-N 3.1Å; E159-S161 PolarHBondContact O-N 2.89Å; S161-R206 VanDerWaalsContact O-CA 3.26Å; S161-R206 WeakPolarHBondContact O-CA 3.3Å; S161-R206 PolarHBondContact O-N 2.67Å; S161-V207 PolarHBondContact O-N 3.34Å
162E90.9Very high93.4Very high132 Ų13258.6 Ų58.662%0.61732%0.316SS*.SBendtrans-63.6-47.6-174-73-60.6154.300111.5L160 S205 R206L160-E162 PolarHBondContact O-N 3.4Å; E162-S205 CarbonylContact O-C 3.53Å; E162-S205 WeakPolarHBondContact O-CA 3.26Å; E162-R206 PolarHBondContact O-N 3.06Å
163N91.9Very high93.6Very high102 Ų10257.1 Ų57.155%0.54531%0.313SS..EExtended strand (participates in β ladder)trans-137.9135.4179.8-65.6-41.2000110.2T203N163-T203 HydrophobicContact CB-CG2 4.28Å
164F94.2Very high93.9Very high9 Ų950 Ų504%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-132.7126.5168.9-177.2-97.6000109.2M152 A154 V157 L166 T203 I204 V207 L233M152-F164 HydrophobicContact CB-CZ 4.13Å; M152-F164 HydrophobicContact SD-CZ 4.26Å; A154-F164 WeakPolarHBondContact O-CE2 3.49Å; A154-F164 VanDerWaalsContact O-CZ 3.24Å; A154-F164 WeakPolarHBondContact O-CZ 3.49Å; V157-F164 HydrophobicContact CB-CD2 3.86Å; V157-F164 HydrophobicContact CB-CE2 4.11Å; V157-F164 HydrophobicContact CB-CG 4.44Å; V157-F164 HydrophobicContact CG1-CD2 4.42Å; V157-F164 HydrophobicContact CG2-CB 4.33Å; V157-F164 HydrophobicContact CG2-CD2 3.8Å; V157-F164 HydrophobicContact CG2-CG 4.29Å; F164-L166 HydrophobicContact CD1-CG 4.35Å; F164-L166 HydrophobicContact CE1-CD2 3.7Å; F164-L166 HydrophobicContact CE1-CG 3.93Å; F164-L166 HydrophobicContact CZ-CD2 4.4Å; F164-T203 WeakPolarHBondContact O-CA 3.4Å; F164-I204 HydrophobicContact CD1-CD1 4.43Å; F164-I204 PolarHBondContact N-O 2.8Å; F164-I204 PolarHBondContact O-N 2.99Å; F164-V207 HydrophobicContact CB-CG2 3.82Å; F164-L233 HydrophobicContact CD1-CD1 4.14Å; F164-L233 HydrophobicContact CD1-CD2 4.04Å; F164-L233 HydrophobicContact CE1-CD1 3.42Å; F164-L233 VanDerWaalsContact CE1-CD1 3.42Å; F164-L233 HydrophobicContact CE1-CD2 3.9Å; F164-L233 HydrophobicContact CE1-CG 4.27Å; F164-L233 HydrophobicContact CE2-CD1 4.16Å; F164-L233 HydrophobicContact CZ-CD1 3.43Å; F164-L233 VanDerWaalsContact CZ-CD1 3.43Å
165V95.3Very high94.2Very high41 Ų4154.3 Ų54.325%0.24829%0.288CS..EExtended strand (participates in β ladder)trans-113.3130.3-169.9-175.70000110.8C201 L202 T203 C365V165-C201 HydrophobicContact CG1-CB 4.44Å; V165-L202 WeakPolarHBondContact CA-O 3.33Å; V165-T203 HydrophobicContact CG2-CG2 4.2Å; V165-C365 HydrophobicContact CG1-CB 4.22Å
166L96Very high94.5Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-112.4124.1170.7-64.2166.6000108I150 M152 F164 W180 C201 L202 I204 Y215 I231I150-L166 HydrophobicContact CG2-CB 4.12Å; I150-L166 HydrophobicContact CG2-CD2 4.04Å; M152-L166 HydrophobicContact CB-CD2 3.89Å; M152-L166 HydrophobicContact CE-CD2 3.79Å; F164-L166 HydrophobicContact CD1-CG 4.35Å; F164-L166 HydrophobicContact CE1-CD2 3.7Å; F164-L166 HydrophobicContact CE1-CG 3.93Å; F164-L166 HydrophobicContact CZ-CD2 4.4Å; L166-W180 HydrophobicContact CB-CH2 3.54Å; L166-W180 HydrophobicContact CB-CZ2 4.33Å; L166-W180 HydrophobicContact CB-CZ3 3.84Å; L166-W180 HydrophobicContact CD1-CZ3 4.29Å; L166-W180 WeakPolarHBondContact O-CZ2 3.46Å; L166-C201 CarbonylContact O-C 3.47Å; L166-C201 WeakPolarHBondContact O-CA 3.47Å; L166-L202 HydrophobicContact CB-CB 4.3Å; L166-L202 HydrophobicContact CD1-CD2 4.07Å; L166-L202 HydrophobicContact CD1-CG 4.49Å; L166-L202 PolarHBondContact N-O 3.02Å; L166-L202 PolarHBondContact O-N 2.83Å; L166-I204 HydrophobicContact CD1-CD1 4.35Å; L166-Y215 HydrophobicContact CD1-CD1 3.69Å; L166-Y215 HydrophobicContact CD1-CD2 4.46Å; L166-Y215 HydrophobicContact CD1-CE1 4.11Å; L166-Y215 HydrophobicContact CD1-CG 3.88Å; L166-I231 HydrophobicContact CD2-CD1 3.7Å
167N96.9Very high94.7Very high13 Ų1352.9 Ų52.97%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-115.5114-179177.8-8.6000110I150 H151 S169 K200 P363I150-N167 CarbonylContact C-O 3.55Å; I150-N167 WeakPolarHBondContact CA-O 3.22Å; H151-N167 HydrophobicContact CB-CB 4.27Å; H151-N167 PolarHBondContact N-O 3.45Å; H151-N167 PolarHBondContact O-N 2.81Å; N167-S169 PolarHBondContact OD1-OG 2.89Å; N167-K200 WeakPolarHBondContact OD1-CE 3.26Å; N167-P363 PolarHBondContact ND2-O 3.28Å
168C97.4Very high94.8Very high0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-82.6127.1174.4-176.10000109.7Y178 W180 K200 C217C168-Y178 HydrophobicContact CB-CD1 3.95Å; C168-Y178 HydrophobicContact CB-CE1 4.15Å; C168-W180 HydrophobicContact CB-CH2 3.96Å; C168-W180 HydrophobicContact CB-CZ2 3.57Å; C168-K200 PolarHBondContact N-O 2.85Å; C168-K200 WeakPolarHBondContact O-CE 3.43Å; C168-K200 WeakPolarHBondContact O-CG 3.18Å; C168-C217 HydrophobicContact CB-CB 3.57Å; C168-C217 WeakPolarHBondContact CB-SG 3.23Å; C168-C217 WeakPolarHBondContact SG-CB 3.45Å; C168-C217 CovalentContact SG-SG 2.03Å; C168-C217 PolarHBondContact SG-SG 2.77Å
169S96.1Very high95Very high6 Ų654.4 Ų54.44%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-138.1155.4-178.9-74.40000111.1P148 Y149 N167 K200P148-S169 CarbonylContact C-O 3.56Å; P148-S169 WeakPolarHBondContact CA-O 3.41Å; P148-S169 WeakPolarHBondContact CB-O 3.31Å; Y149-S169 VanDerWaalsContact CE2-CB 3.44Å; Y149-S169 PolarHBondContact N-O 2.84Å; Y149-S169 PolarHBondContact O-N 2.97Å; N167-S169 PolarHBondContact OD1-OG 2.89Å; S169-K200 VanDerWaalsContact OG-CE 3.22Å; S169-K200 WeakPolarHBondContact OG-CE 3.48Å
170H96.3Very high95.2Very high31 Ų3152.6 Ų52.614%0.14427%0.267CS..  trans-143.1160.2176.16685.9000108.8P148 N172 Y178P148-H170 HydrophobicContact CB-CB 4.21Å; H170-N172 VanDerWaalsContact ND1-C 3.35Å; H170-N172 PolarHBondContact ND1-O 3.38Å; H170-Y178 AromaticContact CD2-CZ 3.89Å; H170-Y178 PolarHBondContact CD2-OH 3.16Å; H170-Y178 AromaticContact NE2-CZ 3.96Å; H170-Y178 PolarHBondContact NE2-OH 2.69Å
171E95.8Very high95.5Very high156 Ų15650.4 Ų50.473%0.72925%0.254SS*.SBendtrans-85.8-53.2-178.9-64.2-178167.300111.6S146 Y149S146-E171 PolarHBondContact OG-N 2.9Å; Y149-E171 HydrophobicContact CE1-CG 4.43Å
172N94.9Very high95.7Very high75 Ų7550.2 Ų50.240%0.40125%0.248SC..SBendtrans-114.2148.6-178.8-61.4-4.8000111.1E143 I145 S146 H170E143-N172 HydrophobicContact CG-CB 4.27Å; I145-N172 WeakPolarHBondContact CA-O 3.26Å; S146-N172 PolarHBondContact N-O 2.81Å; S146-N172 PolarHBondContact OG-N 2.81Å; S146-N172 PolarHBondContact OG-O 2.96Å; H170-N172 VanDerWaalsContact ND1-C 3.35Å; H170-N172 PolarHBondContact ND1-O 3.38Å
173G95.4Very high95.9Very high17 Ų1745.9 Ų45.918%0.17524%0.239CC..  trans143.4136.5177.800000113.1E143E143-G173 WeakPolarHBondContact O-CA 3.44Å; E143-G173 PolarHBondContact OE2-N 3.06Å
174T95.9Very high96Very high27 Ų2744 Ų4417%0.16624%0.244CC..SBendtrans-114.1155.2176.254.90000112.3L114 D142 E143 T176 N221L114-T174 HydrophobicContact CD1-CG2 4.2Å; L114-T174 HydrophobicContact CD2-CG2 3.81Å; D142-T174 WeakPolarHBondContact CA-OG1 3.49Å; D142-T174 WeakPolarHBondContact CB-OG1 3.44Å; D142-T174 PolarHBondContact OD1-OG1 2.88Å; E143-T174 HydrophobicContact CB-CG2 3.89Å; E143-T174 PolarHBondContact N-OG1 2.91Å; E143-T174 PolarHBondContact O-N 2.9Å; T174-T176 PolarHBondContact O-N 3.24Å; T174-T176 VanDerWaalsContact O-N 3.11Å; T174-N221 VanDerWaalsContact O-CB 3.31Å; T174-N221 WeakPolarHBondContact O-CB 3.25Å
175R94.3Very high96Very high133 Ų13351.1 Ų51.150%0.50228%0.275SS..SBendtrans5040175.4-58.9-176.6176.794.2-4112.8D117 V141 D142D117-R175 VanDerWaalsContact CG-NH2 3.35Å; D117-R175 IonicContact OD1-NH2 3.54Å; D117-R175 PolarHBondContact OD1-NH2 3.48Å; D117-R175 IonicContact OD2-CZ 2.67Å; D117-R175 IonicContact OD2-NH1 2.69Å; D117-R175 PolarHBondContact OD2-NH1 2.85Å; D117-R175 VanDerWaalsContact OD2-NH1 3.17Å; D117-R175 IonicContact OD2-NH2 3.85Å; D117-R175 PolarHBondContact OD2-NH2 3.21Å; V141-R175 PolarHBondContact O-NH1 3.28Å; V141-R175 VanDerWaalsContact O-NH1 3.15Å; D142-R175 WeakPolarHBondContact OD1-CD 3.49Å; D142-R175 IonicContact OD1-CZ 3.39Å; D142-R175 IonicContact OD1-NH1 3.58Å; D142-R175 PolarHBondContact OD1-NH1 3.14Å; D142-R175 IonicContact OD2-NH1 3.21Å
176T96.1Very high96.1Very high38 Ų3853.8 Ų53.823%0.23329%0.293CS..  trans-79.9144.3-170.954.80000112.6I145 T174 V219 E220I145-T176 HydrophobicContact CD1-CG2 4.43Å; I145-T176 HydrophobicContact CG1-CG2 4.09Å; T174-T176 PolarHBondContact O-N 3.24Å; T174-T176 VanDerWaalsContact O-N 3.11Å; T176-V219 HydrophobicContact CG2-CG1 3.79Å; T176-E220 CarbonylContact C-O 3.55Å; T176-E220 VanDerWaalsContact CA-O 3.29Å; T176-E220 WeakPolarHBondContact CA-O 3.39Å
177T96.4Very high96Very high68 Ų6855.3 Ų55.342%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-121.5152.8169.859.40000110.1V219 E220T177-V219 CarbonylContact O-C 3.56Å; T177-V219 VanDerWaalsContact O-CA 3.31Å; T177-V219 WeakPolarHBondContact O-CA 3.46Å; T177-E220 PolarHBondContact N-O 2.83Å; T177-E220 PolarHBondContact O-N 2.9Å; T177-E220 PolarHBondContact OG1-O 3.21Å
178Y97.1Very high95.6Very high17 Ų1757.3 Ų57.37%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-120.5139-171-66.9-102.5000111.5C168 H170 Q199 K200 T218 V219C168-Y178 HydrophobicContact CB-CD1 3.95Å; C168-Y178 HydrophobicContact CB-CE1 4.15Å; H170-Y178 AromaticContact CD2-CZ 3.89Å; H170-Y178 PolarHBondContact CD2-OH 3.16Å; H170-Y178 AromaticContact NE2-CZ 3.96Å; H170-Y178 PolarHBondContact NE2-OH 2.69Å; Y178-Q199 WeakPolarHBondContact CB-O 3.45Å; Y178-Q199 PolarHBondContact O-OE1 3.42Å; Y178-Q199 VanDerWaalsContact O-OE1 3.07Å; Y178-K200 HydrophobicContact CD1-CG 4.39Å; Y178-K200 HydrophobicContact CD2-CB 4.48Å; Y178-K200 HydrophobicContact CE1-CB 4.46Å; Y178-K200 HydrophobicContact CE1-CG 3.92Å; Y178-K200 HydrophobicContact CE2-CB 4.42Å; Y178-K200 HydrophobicContact CE2-CG 4.46Å; Y178-T218 CarbonylContact C-O 3.55Å; Y178-V219 HydrophobicContact CD1-CG2 3.67Å; Y178-V219 HydrophobicContact CE1-CG1 4.42Å; Y178-V219 HydrophobicContact CE1-CG2 3.59Å
179K96.4Very high94.9Very high101 Ų10165.6 Ų65.644%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-132.1128.6176-69171.5-178.6161.50109.6F181 C217 T218 E220K179-F181 HydrophobicContact CB-CE2 3.8Å; K179-F181 HydrophobicContact CB-CZ 4.37Å; K179-C217 CarbonylContact O-C 3.5Å; K179-C217 VanDerWaalsContact O-CA 3.31Å; K179-C217 WeakPolarHBondContact O-CA 3.43Å; K179-T218 PolarHBondContact N-O 3.17Å; K179-T218 PolarHBondContact O-N 3.15Å; K179-E220 IonicContact NZ-OE2 2.73Å; K179-E220 PolarHBondContact NZ-OE2 3.14Å
180W97.6Very high94.6Very high9 Ų968.8 Ų68.83%0.03438%0.378CS..EExtended strand (participates in β ladder)trans-99.2145.1179-76.289.6000112I150 L166 C168 L187 L195 Q199 K200 L202 C217I150-W180 HydrophobicContact CD1-CH2 4.18Å; I150-W180 HydrophobicContact CD1-CZ3 3.69Å; I150-W180 HydrophobicContact CG1-CH2 4Å; I150-W180 HydrophobicContact CG1-CZ3 4.04Å; I150-W180 HydrophobicContact CG2-CH2 3.86Å; I150-W180 HydrophobicContact CG2-CZ3 4.18Å; L166-W180 HydrophobicContact CB-CH2 3.54Å; L166-W180 HydrophobicContact CB-CZ2 4.33Å; L166-W180 HydrophobicContact CB-CZ3 3.84Å; L166-W180 HydrophobicContact CD1-CZ3 4.29Å; L166-W180 WeakPolarHBondContact O-CZ2 3.46Å; C168-W180 HydrophobicContact CB-CH2 3.96Å; C168-W180 HydrophobicContact CB-CZ2 3.57Å; W180-L187 HydrophobicContact CB-CB 4.1Å; W180-L187 HydrophobicContact CB-CD2 4.14Å; W180-L187 WeakPolarHBondContact O-CB 3.26Å; W180-L187 PolarHBondContact O-N 3.45Å; W180-L195 HydrophobicContact CG-CD2 4.05Å; W180-Q199 PolarHBondContact NE1-O 2.93Å; W180-K200 WeakPolarHBondContact CZ2-O 3.39Å; W180-L202 HydrophobicContact CB-CD2 4.44Å; W180-L202 HydrophobicContact CD2-CB 3.83Å; W180-L202 HydrophobicContact CD2-CD2 4.1Å; W180-L202 HydrophobicContact CE3-CB 4.25Å; W180-L202 HydrophobicContact CE3-CD2 4Å; W180-L202 HydrophobicContact CG-CB 4.21Å; W180-L202 HydrophobicContact CG-CD2 4.31Å; W180-L202 HydrophobicContact CH2-CB 4.41Å; W180-L202 HydrophobicContact CZ2-CB 4Å; W180-C217 HydrophobicContact CD2-CB 4.2Å; W180-C217 HydrophobicContact CE3-CB 4.14Å; W180-C217 HydrophobicContact CH2-CB 4.41Å; W180-C217 HydrophobicContact CZ2-CB 4.48Å; W180-C217 HydrophobicContact CZ3-CB 4.24Å
181F97.4Very high94.2Very high44 Ų4473.8 Ų73.819%0.19341%0.411CS..EExtended strand (participates in β ladder)trans-131.6139.5179.8-63.3-102000110.4K179 K185 P186 Y215 S216 T218K179-F181 HydrophobicContact CB-CE2 3.8Å; K179-F181 HydrophobicContact CB-CZ 4.37Å; F181-K185 CarbonylContact C-O 3.54Å; F181-K185 WeakPolarHBondContact CA-O 3.05Å; F181-K185 WeakPolarHBondContact CB-O 3.47Å; F181-P186 HydrophobicContact CD1-CG 4.3Å; F181-P186 HydrophobicContact CE1-CB 4.42Å; F181-P186 HydrophobicContact CE1-CG 3.9Å; F181-Y215 WeakPolarHBondContact O-CA 3.37Å; F181-S216 WeakPolarHBondContact CB-OG 3.18Å; F181-S216 PolarHBondContact N-O 2.86Å; F181-S216 PolarHBondContact O-N 2.93Å; F181-T218 WeakPolarHBondContact CE2-OG1 3.32Å
182K96.4Very high94.1Very high36 Ų3667.8 Ų67.816%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-126126.4174.3-179-173.4176-171.70108.4G184 K185 L187 F193 T210 D211 D213 I214 Y215K182-G184 PolarHBondContact O-N 2.93Å; K182-K185 PolarHBondContact N-O 3.38Å; K182-K185 PolarHBondContact O-N 3.28Å; K182-L187 HydrophobicContact CB-CD1 4.04Å; K182-F193 HydrophobicContact CD-CE2 4.19Å; K182-F193 HydrophobicContact CD-CZ 4.13Å; K182-T210 PolarHBondContact NZ-O 2.73Å; K182-D211 IonicContact NZ-OD1 2.95Å; K182-D213 HydrophobicContact CD-CB 4.41Å; K182-D213 HydrophobicContact CG-CB 3.81Å; K182-D213 WeakPolarHBondContact CG-OD2 3.29Å; K182-I214 WeakPolarHBondContact CA-O 3.41Å; K182-Y215 HydrophobicContact CB-CD1 4.32Å; K182-Y215 HydrophobicContact CB-CE1 4.06Å; K182-Y215 HydrophobicContact CD-CE1 4.18Å; K182-Y215 HydrophobicContact CG-CE1 3.96Å; K182-Y215 HydrophobicContact CG-CE2 4.39Å
183G95.3Very high94.1Very high41 Ų4165 Ų6542%0.42337%0.366SS..THydrogen-bonded Turntrans58.930.5-17800000113.1K185 D213 I214G183-K185 VanDerWaalsContact C-N 3.26Å; G183-K185 PolarHBondContact O-N 2.96Å; G183-D213 WeakPolarHBondContact CA-OD1 3.02Å; G183-D213 PolarHBondContact N-OD2 2.84Å; G183-I214 PolarHBondContact N-O 2.96Å
184G94.2Very high94.1Very high63 Ų6369.5 Ų69.565%0.64938%0.384SS*.THydrogen-bonded Turntrans76.12.1-176.700000115.6K182K182-G184 PolarHBondContact O-N 2.93Å
185K95.4Very high94Very high157 Ų15771.9 Ų71.968%0.68340%0.395SS*.EExtended strand (participates in β ladder)trans-107.6150.6176.7-65.7-179.9-177.7177.40110.8F181 K182 G183 L187F181-K185 CarbonylContact C-O 3.54Å; F181-K185 WeakPolarHBondContact CA-O 3.05Å; F181-K185 WeakPolarHBondContact CB-O 3.47Å; K182-K185 PolarHBondContact N-O 3.38Å; K182-K185 PolarHBondContact O-N 3.28Å; G183-K185 VanDerWaalsContact C-N 3.26Å; G183-K185 PolarHBondContact O-N 2.96Å; K185-L187 PolarHBondContact O-N 3Å
186P95.7Very high94.1Very high97 Ų9766.6 Ų66.663%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-51.9139.7171.3-24.233.2000110.4F181 A188F181-P186 HydrophobicContact CD1-CG 4.3Å; F181-P186 HydrophobicContact CE1-CB 4.42Å; F181-P186 HydrophobicContact CE1-CG 3.9Å; P186-A188 PolarHBondContact O-N 3.27Å
187L94.2Very high93.9Very high33 Ų3371.2 Ų71.217%0.17341%0.409CS..PPolyproline II helixtrans-55.4126.4-178.7-16673.7000110.2W180 K182 K185 F193 L202W180-L187 HydrophobicContact CB-CB 4.1Å; W180-L187 HydrophobicContact CB-CD2 4.14Å; W180-L187 WeakPolarHBondContact O-CB 3.26Å; W180-L187 PolarHBondContact O-N 3.45Å; K182-L187 HydrophobicContact CB-CD1 4.04Å; K185-L187 PolarHBondContact O-N 3Å; L187-F193 HydrophobicContact CD1-CD2 3.52Å; L187-F193 HydrophobicContact CD1-CE2 3.66Å; L187-F193 HydrophobicContact CD1-CG 4.27Å; L187-F193 HydrophobicContact CD1-CZ 4.5Å; L187-F193 HydrophobicContact CD2-CB 4.04Å; L187-F193 HydrophobicContact CD2-CD2 4.11Å; L187-F193 HydrophobicContact CD2-CG 4.31Å; L187-F193 HydrophobicContact CG-CD2 3.71Å; L187-F193 HydrophobicContact CG-CE2 4.31Å; L187-F193 HydrophobicContact CG-CG 4.39Å; L187-L202 HydrophobicContact CD1-CD2 4Å; L187-L202 HydrophobicContact CD2-CD1 3.5Å; L187-L202 HydrophobicContact CD2-CD2 3.82Å; L187-L202 HydrophobicContact CD2-CG 4.29Å
188A88.9Confident93.7Very high55 Ų5572.2 Ų72.246%0.45541%0.412SS..PPolyproline II helixtrans-65144.8176.500000110.2P186 E190P186-A188 PolarHBondContact O-N 3.27Å; A188-E190 HydrophobicContact CB-CG 4.18Å; A188-E190 PolarHBondContact O-N 3.01Å
189N83.4Confident93.6Very high173 Ų17375.7 Ų75.793%0.92543%0.429SS*.  trans-7680.6174.7-166.57.2000109.5
190E88.4Confident93.5Very high73 Ų7373.3 Ų73.334%0.34142%0.419SS..  trans-103.5139.7175.6-69.4-177.3-151.700109.8A188 R192 F193A188-E190 HydrophobicContact CB-CG 4.18Å; A188-E190 PolarHBondContact O-N 3.01Å; E190-R192 PolarHBondContact O-N 2.03Å; E190-R192 IonicContact OE2-CZ 3.61Å; E190-R192 IonicContact OE2-NE 3.39Å; E190-R192 IonicContact OE2-NH2 3.59Å; E190-R192 PolarHBondContact OE2-NH2 2.89Å; E190-F193 HydrophobicContact CB-CD2 4.12Å; E190-F193 HydrophobicContact CB-CG 4.39Å; E190-F193 HydrophobicContact CG-CD2 4.46Å; E190-F193 PolarHBondContact O-N 3.11Å
191T88.6Confident93.4Very high137 Ų13773.2 Ų73.284%0.8442%0.419SS*.THydrogen-bonded Turntrans-58.9-22.3177.953.10000113.7
192R94.1Very high93.3Very high29 Ų2971.1 Ų71.111%0.10941%0.41CS..THydrogen-bonded Turntrans-79.6-26177.8-64.9-175-51.8105.56.9113.5E190 S205 R206 D211E190-R192 PolarHBondContact O-N 2.03Å; E190-R192 IonicContact OE2-CZ 3.61Å; E190-R192 IonicContact OE2-NE 3.39Å; E190-R192 IonicContact OE2-NH2 3.59Å; E190-R192 PolarHBondContact OE2-NH2 2.89Å; R192-S205 VanDerWaalsContact CA-OG 3.26Å; R192-S205 WeakPolarHBondContact CA-OG 3.38Å; R192-S205 PolarHBondContact O-N 3.03Å; R192-S205 PolarHBondContact O-OG 2.85Å; R192-R206 PolarHBondContact NH1-O 3.1Å; R192-D211 IonicContact CZ-OD1 3.17Å; R192-D211 IonicContact CZ-OD2 2.73Å; R192-D211 IonicContact NH1-OD1 3.39Å; R192-D211 IonicContact NH1-OD2 2.77Å; R192-D211 PolarHBondContact NH1-OD2 2.92Å; R192-D211 IonicContact NH2-OD1 3.77Å; R192-D211 PolarHBondContact NH2-OD1 2.74Å; R192-D211 IonicContact NH2-OD2 3.94Å
193F95.1Very high93.3Very high16 Ų1670.9 Ų70.97%0.0741%0.412CS..EExtended strand (participates in β ladder)trans-92.4104.4179.3-69-18.1000109.3K182 L187 E190 L202 I204K182-F193 HydrophobicContact CD-CE2 4.19Å; K182-F193 HydrophobicContact CD-CZ 4.13Å; L187-F193 HydrophobicContact CD1-CD2 3.52Å; L187-F193 HydrophobicContact CD1-CE2 3.66Å; L187-F193 HydrophobicContact CD1-CG 4.27Å; L187-F193 HydrophobicContact CD1-CZ 4.5Å; L187-F193 HydrophobicContact CD2-CB 4.04Å; L187-F193 HydrophobicContact CD2-CD2 4.11Å; L187-F193 HydrophobicContact CD2-CG 4.31Å; L187-F193 HydrophobicContact CG-CD2 3.71Å; L187-F193 HydrophobicContact CG-CE2 4.31Å; L187-F193 HydrophobicContact CG-CG 4.39Å; E190-F193 HydrophobicContact CB-CD2 4.12Å; E190-F193 HydrophobicContact CB-CG 4.39Å; E190-F193 HydrophobicContact CG-CD2 4.46Å; E190-F193 PolarHBondContact O-N 3.11Å; F193-L202 HydrophobicContact CB-CD1 3.99Å; F193-L202 HydrophobicContact CG-CD1 4.4Å; F193-I204 HydrophobicContact CD1-CB 4.24Å; F193-I204 HydrophobicContact CD1-CG1 3.83Å; F193-I204 HydrophobicContact CD1-CG2 4Å; F193-I204 HydrophobicContact CE1-CB 4.27Å; F193-I204 HydrophobicContact CE1-CD1 4.11Å; F193-I204 HydrophobicContact CE1-CG1 3.8Å; F193-I204 HydrophobicContact CE1-CG2 3.71Å
194M94.8Very high93.3Very high112 Ų11269 Ų6955%0.55239%0.391SS*.EExtended strand (participates in β ladder)trans-105.4116.5-177.4-61-178.365.500109.4T203M194-T203 PolarHBondContact N-O 3.07Å; M194-T203 PolarHBondContact O-N 2.9Å
195L94.9Very high93.3Very high78 Ų7867 Ų6741%0.40837%0.368SS..EExtended strand (participates in β ladder)trans-87.8141.6171.1-69.9169.7000109.9W180 C201 L202W180-L195 HydrophobicContact CG-CD2 4.05Å; L195-C201 WeakPolarHBondContact CA-O 3.35Å; L195-L202 HydrophobicContact CD2-CB 4.06Å; L195-L202 HydrophobicContact CD2-CD1 4.14Å
196S94.8Very high93.3Very high22 Ų2266.6 Ų66.615%0.15436%0.362CS..  trans-62.7162.6168.254.40000111.2D198 Q199 K200 C201S196-D198 VanDerWaalsContact CB-OD1 3.23Å; S196-D198 WeakPolarHBondContact CB-OD1 3.31Å; S196-D198 PolarHBondContact O-N 3.19Å; S196-D198 PolarHBondContact OG-OD1 2.99Å; S196-Q199 WeakPolarHBondContact O-CA 3.37Å; S196-Q199 PolarHBondContact O-N 3.21Å; S196-K200 PolarHBondContact OG-N 2.96Å; S196-C201 PolarHBondContact N-O 3.11Å; S196-C201 PolarHBondContact OG-N 2.98Å; S196-C201 PolarHBondContact OG-O 3.36Å
197P92.8Very high93.2Very high135 Ų13562 Ų6288%0.87733%0.332SS*.THydrogen-bonded Turntrans-57.1-33.2179.2-26.935.7000114.2Q199P197-Q199 VanDerWaalsContact C-N 3.3Å
198D92.4Very high93.3Very high89 Ų8963.3 Ų63.348%0.47634%0.339SS..THydrogen-bonded Turntrans-85.81.2174.766.6-10.8000113.5S196 K200S196-D198 VanDerWaalsContact CB-OD1 3.23Å; S196-D198 WeakPolarHBondContact CB-OD1 3.31Å; S196-D198 PolarHBondContact O-N 3.19Å; S196-D198 PolarHBondContact OG-OD1 2.99Å; D198-K200 HydrophobicContact CB-CB 4.5Å; D198-K200 VanDerWaalsContact CG-CB 3.44Å; D198-K200 PolarHBondContact O-N 2.94Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 2.51Å; D198-K200 VanDerWaalsContact OD2-CB 3.29Å; D198-K200 WeakPolarHBondContact OD2-CB 3.29Å
199Q94.5Very high93.5Very high89 Ų8964.2 Ų64.242%0.41634%0.335SS..SBendtrans59.37.4-177.5-58.1175.4-22.700114.8Y178 W180 S196 P197Y178-Q199 WeakPolarHBondContact CB-O 3.45Å; Y178-Q199 PolarHBondContact O-OE1 3.42Å; Y178-Q199 VanDerWaalsContact O-OE1 3.07Å; W180-Q199 PolarHBondContact NE1-O 2.93Å; S196-Q199 WeakPolarHBondContact O-CA 3.37Å; S196-Q199 PolarHBondContact O-N 3.21Å; P197-Q199 VanDerWaalsContact C-N 3.3Å
200K95Very high94Very high52 Ų5260.7 Ų60.723%0.22632%0.32CS..  trans-72.1-32.9-176.4-169.8176.8179.1174.50112.6N167 C168 S169 Y178 W180 S196 D198N167-K200 WeakPolarHBondContact OD1-CE 3.26Å; C168-K200 PolarHBondContact N-O 2.85Å; C168-K200 WeakPolarHBondContact O-CE 3.43Å; C168-K200 WeakPolarHBondContact O-CG 3.18Å; S169-K200 VanDerWaalsContact OG-CE 3.22Å; S169-K200 WeakPolarHBondContact OG-CE 3.48Å; Y178-K200 HydrophobicContact CD1-CG 4.39Å; Y178-K200 HydrophobicContact CD2-CB 4.48Å; Y178-K200 HydrophobicContact CE1-CB 4.46Å; Y178-K200 HydrophobicContact CE1-CG 3.92Å; Y178-K200 HydrophobicContact CE2-CB 4.42Å; Y178-K200 HydrophobicContact CE2-CG 4.46Å; W180-K200 WeakPolarHBondContact CZ2-O 3.39Å; S196-K200 PolarHBondContact OG-N 2.96Å; D198-K200 HydrophobicContact CB-CB 4.5Å; D198-K200 VanDerWaalsContact CG-CB 3.44Å; D198-K200 PolarHBondContact O-N 2.94Å; D198-K200 WeakPolarHBondContact OD1-CB 3.45Å; D198-K200 PolarHBondContact OD1-N 2.51Å; D198-K200 VanDerWaalsContact OD2-CB 3.29Å; D198-K200 WeakPolarHBondContact OD2-CB 3.29Å
201C95.6Very high94.3Very high6 Ų657.2 Ų57.24%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-112.8130.5-178.9-58.70000111V165 L166 L195 S196 C365V165-C201 HydrophobicContact CG1-CB 4.44Å; L166-C201 CarbonylContact O-C 3.47Å; L166-C201 WeakPolarHBondContact O-CA 3.47Å; L195-C201 WeakPolarHBondContact CA-O 3.35Å; S196-C201 PolarHBondContact N-O 3.11Å; S196-C201 PolarHBondContact OG-N 2.98Å; S196-C201 PolarHBondContact OG-O 3.36Å; C201-C365 HydrophobicContact CB-CB 3.63Å; C201-C365 WeakPolarHBondContact CB-SG 3.17Å; C201-C365 WeakPolarHBondContact SG-CB 3.44Å; C201-C365 CovalentContact SG-SG 2.03Å; C201-C365 PolarHBondContact SG-SG 3.04Å
202L96Very high94.6Very high0 Ų053.9 Ų53.90%028%0.278CS..EExtended strand (participates in β ladder)trans-104.4116.3169.7169.558.3000109.1V165 L166 W180 L187 F193 L195 I204 Y215V165-L202 WeakPolarHBondContact CA-O 3.33Å; L166-L202 HydrophobicContact CB-CB 4.3Å; L166-L202 HydrophobicContact CD1-CD2 4.07Å; L166-L202 HydrophobicContact CD1-CG 4.49Å; L166-L202 PolarHBondContact N-O 3.02Å; L166-L202 PolarHBondContact O-N 2.83Å; W180-L202 HydrophobicContact CB-CD2 4.44Å; W180-L202 HydrophobicContact CD2-CB 3.83Å; W180-L202 HydrophobicContact CD2-CD2 4.1Å; W180-L202 HydrophobicContact CE3-CB 4.25Å; W180-L202 HydrophobicContact CE3-CD2 4Å; W180-L202 HydrophobicContact CG-CB 4.21Å; W180-L202 HydrophobicContact CG-CD2 4.31Å; W180-L202 HydrophobicContact CH2-CB 4.41Å; W180-L202 HydrophobicContact CZ2-CB 4Å; L187-L202 HydrophobicContact CD1-CD2 4Å; L187-L202 HydrophobicContact CD2-CD1 3.5Å; L187-L202 HydrophobicContact CD2-CD2 3.82Å; L187-L202 HydrophobicContact CD2-CG 4.29Å; F193-L202 HydrophobicContact CB-CD1 3.99Å; F193-L202 HydrophobicContact CG-CD1 4.4Å; L195-L202 HydrophobicContact CD2-CB 4.06Å; L195-L202 HydrophobicContact CD2-CD1 4.14Å; L202-I204 HydrophobicContact CG-CG1 4.41Å; L202-Y215 HydrophobicContact CD2-CD1 4.1Å; L202-Y215 HydrophobicContact CD2-CE1 4.07Å
203T95.4Very high94.7Very high32 Ų3255.1 Ų55.120%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-101.5122172.3-56.50000109.6N163 F164 V165 M194N163-T203 HydrophobicContact CB-CG2 4.28Å; F164-T203 WeakPolarHBondContact O-CA 3.4Å; V165-T203 HydrophobicContact CG2-CG2 4.2Å; M194-T203 PolarHBondContact N-O 3.07Å; M194-T203 PolarHBondContact O-N 2.9Å
204I95.4Very high94.8Very high0 Ų058.3 Ų58.30%030%0.304CS..EExtended strand (participates in β ladder)trans-96.4110.9172.5-54.6175.5000107.5F164 L166 F193 L202 V207 Y215 L233F164-I204 HydrophobicContact CD1-CD1 4.43Å; F164-I204 PolarHBondContact N-O 2.8Å; F164-I204 PolarHBondContact O-N 2.99Å; L166-I204 HydrophobicContact CD1-CD1 4.35Å; F193-I204 HydrophobicContact CD1-CB 4.24Å; F193-I204 HydrophobicContact CD1-CG1 3.83Å; F193-I204 HydrophobicContact CD1-CG2 4Å; F193-I204 HydrophobicContact CE1-CB 4.27Å; F193-I204 HydrophobicContact CE1-CD1 4.11Å; F193-I204 HydrophobicContact CE1-CG1 3.8Å; F193-I204 HydrophobicContact CE1-CG2 3.71Å; L202-I204 HydrophobicContact CG-CG1 4.41Å; I204-V207 HydrophobicContact CB-CG2 4.49Å; I204-V207 HydrophobicContact CG2-CG2 4.05Å; I204-Y215 HydrophobicContact CD1-CE1 4.13Å; I204-L233 HydrophobicContact CD1-CD2 4Å
205S94.9Very high94.9Very high21 Ų2153 Ų5315%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-88.7140.7174.663.40000111.6E162 R192E162-S205 CarbonylContact O-C 3.53Å; E162-S205 WeakPolarHBondContact O-CA 3.26Å; R192-S205 VanDerWaalsContact CA-OG 3.26Å; R192-S205 WeakPolarHBondContact CA-OG 3.38Å; R192-S205 PolarHBondContact O-N 3.03Å; R192-S205 PolarHBondContact O-OG 2.85Å
206R94.4Very high95.1Very high150 Ų15050.1 Ų50.157%0.56626%0.264SS*.SBendtrans4674.9-176.5-66-173.1-69166-3.9111.8S161 E162 R192 L208S161-R206 VanDerWaalsContact O-CA 3.26Å; S161-R206 WeakPolarHBondContact O-CA 3.3Å; S161-R206 PolarHBondContact O-N 2.67Å; E162-R206 PolarHBondContact O-N 3.06Å; R192-R206 PolarHBondContact NH1-O 3.1Å; R206-L208 PolarHBondContact O-N 2.75Å
207V94.6Very high95.2Very high0 Ų049.1 Ų49.10%026%0.257CS..  trans-58.9132.4-175.5-178.60000111.7V157 L160 S161 F164 I204 D211 V235V157-V207 HydrophobicContact CG1-CG1 3.78Å; V157-V207 HydrophobicContact CG1-CG2 4.45Å; V157-V207 HydrophobicContact CG2-CG2 4.24Å; L160-V207 PolarHBondContact N-O 2.81Å; S161-V207 PolarHBondContact O-N 3.34Å; F164-V207 HydrophobicContact CB-CG2 3.82Å; I204-V207 HydrophobicContact CB-CG2 4.49Å; I204-V207 HydrophobicContact CG2-CG2 4.05Å; V207-D211 HydrophobicContact CG1-CB 4.33Å; V207-V235 HydrophobicContact CG1-CG1 3.91Å; V207-V235 HydrophobicContact CG1-CG2 3.81Å
208L94.6Very high95.4Very high60 Ų6043.3 Ų43.331%0.31422%0.219SC..  trans-114.3160.9178.4-59178.7000111.3R206 T210 D211R206-L208 PolarHBondContact O-N 2.75Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.15Å; L208-D211 PolarHBondContact N-OD2 2.8Å; L208-D211 WeakPolarHBondContact O-CB 3.28Å; L208-D211 PolarHBondContact O-N 3.49Å
209M94Very high95.7Very high75 Ų7539 Ų3937%0.36920%0.196SC..G310 helixtrans-58.3-27.1174.1-69.4-60.1-55.300113.4E159 D211 E212 V235 R237E159-M209 HydrophobicContact CG-CG 4.31Å; E159-M209 WeakPolarHBondContact OE1-CG 3.42Å; M209-D211 PolarHBondContact O-N 2.92Å; M209-E212 PolarHBondContact O-N 2.92Å; M209-V235 VanDerWaalsContact CE-O 3.29Å; M209-V235 WeakPolarHBondContact CE-O 3.37Å; M209-V235 HydrophobicContact SD-CB 4.24Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; M209-R237 HydrophobicContact CE-CG 4.39Å; M209-R237 HydrophobicContact CG-CG 3.98Å; M209-R237 HydrophobicContact SD-CG 3.51Å; M209-R237 VanDerWaalsContact SD-CG 3.51Å
210T93.4Very high95.8Very high99 Ų9938 Ų3861%0.60719%0.191SC*.G310 helixtrans-73.4-9.417652.70000113.5K182 L208 E212K182-T210 PolarHBondContact NZ-O 2.73Å; L208-T210 PolarHBondContact O-N 2.84Å; L208-T210 VanDerWaalsContact O-N 3.15Å; T210-E212 VanDerWaalsContact C-N 3.35Å
211D94.3Very high95.8Very high0 Ų036.1 Ų36.10%018%0.184CC..G310 helixtrans-86.7-7.9175.2-57.1-36000112.4K182 R192 V207 L208 M209 D213 Y215K182-D211 IonicContact NZ-OD1 2.95Å; R192-D211 IonicContact CZ-OD1 3.17Å; R192-D211 IonicContact CZ-OD2 2.73Å; R192-D211 IonicContact NH1-OD1 3.39Å; R192-D211 IonicContact NH1-OD2 2.77Å; R192-D211 PolarHBondContact NH1-OD2 2.92Å; R192-D211 IonicContact NH2-OD1 3.77Å; R192-D211 PolarHBondContact NH2-OD1 2.74Å; R192-D211 IonicContact NH2-OD2 3.94Å; V207-D211 HydrophobicContact CG1-CB 4.33Å; L208-D211 PolarHBondContact N-OD2 2.8Å; L208-D211 WeakPolarHBondContact O-CB 3.28Å; L208-D211 PolarHBondContact O-N 3.49Å; M209-D211 PolarHBondContact O-N 2.92Å; D211-D213 PolarHBondContact O-N 2.91Å; D211-Y215 WeakPolarHBondContact O-CE2 3.32Å; D211-Y215 PolarHBondContact O-OH 3.42Å; D211-Y215 VanDerWaalsContact O-OH 3.08Å
212E96.1Very high95.8Very high67 Ų6738.8 Ų38.831%0.31320%0.201SC..  trans-65.3106.5167.9172.4159.5153.400109.9M209 T210 R232 L233 V235M209-E212 PolarHBondContact O-N 2.92Å; T210-E212 VanDerWaalsContact C-N 3.35Å; E212-R232 IonicContact OE1-CZ 3.63Å; E212-R232 IonicContact OE1-NH2 2.71Å; E212-R232 PolarHBondContact OE1-NH2 2.86Å; E212-L233 WeakPolarHBondContact CA-O 3.38Å; E212-L233 WeakPolarHBondContact CG-O 3.4Å; E212-V235 HydrophobicContact CB-CB 4.18Å; E212-V235 HydrophobicContact CB-CG2 3.97Å; E212-V235 PolarHBondContact OE2-N 2.81Å
213D96.3Very high95.7Very high55 Ų5542.2 Ų42.229%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-162.2-179-179.2-148.3-26.7000111.1K182 G183 D211 Y215 L233K182-D213 HydrophobicContact CD-CB 4.41Å; K182-D213 HydrophobicContact CG-CB 3.81Å; K182-D213 WeakPolarHBondContact CG-OD2 3.29Å; G183-D213 WeakPolarHBondContact CA-OD1 3.02Å; G183-D213 PolarHBondContact N-OD2 2.84Å; D211-D213 PolarHBondContact O-N 2.91Å; D213-Y215 HydrophobicContact CB-CE2 4.13Å; D213-L233 PolarHBondContact O-N 3.16Å
214I97.1Very high95.7Very high82 Ų8242.2 Ų42.242%0.42123%0.226SC..EExtended strand (participates in β ladder)trans-91.3125.5170.4-61.6175000109.4K182 G183 P230 I231K182-I214 WeakPolarHBondContact CA-O 3.41Å; G183-I214 PolarHBondContact N-O 2.96Å; I214-P230 HydrophobicContact CG2-CB 3.45Å; I214-P230 VanDerWaalsContact CG2-CB 3.45Å; I214-I231 CarbonylContact C-O 3.58Å; I214-I231 VanDerWaalsContact CA-O 3.24Å; I214-I231 WeakPolarHBondContact CA-O 3.47Å
215Y97.2Very high95.8Very high0 Ų047.7 Ų47.70%026%0.255CS..EExtended strand (participates in β ladder)trans-108.1144.7177.2-68.9-100.9000110.7L166 F181 K182 L202 I204 D211 D213 I231 L233L166-Y215 HydrophobicContact CD1-CD1 3.69Å; L166-Y215 HydrophobicContact CD1-CD2 4.46Å; L166-Y215 HydrophobicContact CD1-CE1 4.11Å; L166-Y215 HydrophobicContact CD1-CG 3.88Å; F181-Y215 WeakPolarHBondContact O-CA 3.37Å; K182-Y215 HydrophobicContact CB-CD1 4.32Å; K182-Y215 HydrophobicContact CB-CE1 4.06Å; K182-Y215 HydrophobicContact CD-CE1 4.18Å; K182-Y215 HydrophobicContact CG-CE1 3.96Å; K182-Y215 HydrophobicContact CG-CE2 4.39Å; L202-Y215 HydrophobicContact CD2-CD1 4.1Å; L202-Y215 HydrophobicContact CD2-CE1 4.07Å; I204-Y215 HydrophobicContact CD1-CE1 4.13Å; D211-Y215 WeakPolarHBondContact O-CE2 3.32Å; D211-Y215 PolarHBondContact O-OH 3.42Å; D211-Y215 VanDerWaalsContact O-OH 3.08Å; D213-Y215 HydrophobicContact CB-CE2 4.13Å; Y215-I231 PolarHBondContact N-O 2.9Å; Y215-I231 WeakPolarHBondContact O-CG1 3.47Å; Y215-I231 PolarHBondContact O-N 3.08Å; Y215-L233 HydrophobicContact CD2-CB 4.04Å; Y215-L233 HydrophobicContact CE2-CB 3.91Å; Y215-L233 HydrophobicContact CE2-CD2 3.99Å
216S97.8Very high95.9Very high19 Ų1949 Ų4913%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-147.5156.5171.353.10000110.1F181F181-S216 WeakPolarHBondContact CB-OG 3.18Å; F181-S216 PolarHBondContact N-O 2.86Å; F181-S216 PolarHBondContact O-N 2.93Å
217C97.6Very high96.1Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-124.4139.4174.6650000110.2I150 C168 K179 W180 T227 S228I150-C217 HydrophobicContact CD1-CB 4.3Å; I150-C217 HydrophobicContact CG1-CB 4.39Å; I150-C217 VanDerWaalsContact CG1-SG 3.58Å; C168-C217 HydrophobicContact CB-CB 3.57Å; C168-C217 WeakPolarHBondContact CB-SG 3.23Å; C168-C217 WeakPolarHBondContact SG-CB 3.45Å; C168-C217 CovalentContact SG-SG 2.03Å; C168-C217 PolarHBondContact SG-SG 2.77Å; K179-C217 CarbonylContact O-C 3.5Å; K179-C217 VanDerWaalsContact O-CA 3.31Å; K179-C217 WeakPolarHBondContact O-CA 3.43Å; W180-C217 HydrophobicContact CD2-CB 4.2Å; W180-C217 HydrophobicContact CE3-CB 4.14Å; W180-C217 HydrophobicContact CH2-CB 4.41Å; W180-C217 HydrophobicContact CZ2-CB 4.48Å; W180-C217 HydrophobicContact CZ3-CB 4.24Å; C217-T227 CarbonylContact O-C 3.6Å; C217-T227 WeakPolarHBondContact O-CA 3.41Å; C217-S228 PolarHBondContact N-OG 2.79Å; C217-S228 PolarHBondContact O-N 3.37Å; C217-S228 PolarHBondContact O-OG 2.9Å
218T97.8Very high96.2Very high13 Ų1344.9 Ų44.98%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-109.6130.3171.1-61.40000108.4Y178 K179 F181 N225 M226 T227Y178-T218 CarbonylContact C-O 3.55Å; K179-T218 PolarHBondContact N-O 3.17Å; K179-T218 PolarHBondContact O-N 3.15Å; F181-T218 WeakPolarHBondContact CE2-OG1 3.32Å; T218-N225 HydrophobicContact CG2-CB 4.13Å; T218-M226 CarbonylContact C-O 3.5Å; T218-M226 WeakPolarHBondContact CA-O 3.35Å; T218-T227 WeakPolarHBondContact OG1-CG2 3.11Å; T218-T227 PolarHBondContact OG1-OG1 3.44Å
219V98Very high96.3Very high0 Ų047.7 Ų47.70%027%0.266CS..EExtended strand (participates in β ladder)trans-106.4135.9173.6-174.80000107.7I145 P148 T176 T177 Y178 M226I145-V219 HydrophobicContact CD1-CB 4.4Å; I145-V219 HydrophobicContact CD1-CG1 3.93Å; I145-V219 HydrophobicContact CG1-CG1 4.27Å; I145-V219 HydrophobicContact CG2-CB 4.06Å; I145-V219 HydrophobicContact CG2-CG1 3.99Å; P148-V219 HydrophobicContact CB-CG2 3.71Å; P148-V219 HydrophobicContact CG-CB 4.39Å; P148-V219 HydrophobicContact CG-CG2 3.85Å; T176-V219 HydrophobicContact CG2-CG1 3.79Å; T177-V219 CarbonylContact O-C 3.56Å; T177-V219 VanDerWaalsContact O-CA 3.31Å; T177-V219 WeakPolarHBondContact O-CA 3.46Å; Y178-V219 HydrophobicContact CD1-CG2 3.67Å; Y178-V219 HydrophobicContact CE1-CG1 4.42Å; Y178-V219 HydrophobicContact CE1-CG2 3.59Å; V219-M226 PolarHBondContact N-O 3.32Å; V219-M226 PolarHBondContact O-N 2.68Å
220E96.7Very high96.4Very high67 Ų6748.3 Ų48.331%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-130.7137.7-175.8173.8-179.8165.900110.8I145 T176 T177 K179 G224 N225I145-E220 VanDerWaalsContact CD1-C 3.44Å; T176-E220 CarbonylContact C-O 3.55Å; T176-E220 VanDerWaalsContact CA-O 3.29Å; T176-E220 WeakPolarHBondContact CA-O 3.39Å; T177-E220 PolarHBondContact N-O 2.83Å; T177-E220 PolarHBondContact O-N 2.9Å; T177-E220 PolarHBondContact OG1-O 3.21Å; K179-E220 IonicContact NZ-OE2 2.73Å; K179-E220 PolarHBondContact NZ-OE2 3.14Å; E220-G224 WeakPolarHBondContact CA-O 3.29Å; E220-N225 HydrophobicContact CB-CB 4.19Å; E220-N225 HydrophobicContact CG-CB 4.47Å
221N95.7Very high96.5Very high12 Ų1245.2 Ų45.26%0.06426%0.255CS..EExtended strand (participates in β ladder)trans-135.8175.1172.979.4-12.3000110E143 I145 T174 L223 G224E143-N221 PolarHBondContact O-ND2 3.01Å; I145-N221 HydrophobicContact CD1-CB 3.54Å; I145-N221 VanDerWaalsContact CD1-CG 3.48Å; I145-N221 VanDerWaalsContact CD1-N 3.26Å; I145-N221 HydrophobicContact CG1-CB 3.9Å; T174-N221 VanDerWaalsContact O-CB 3.31Å; T174-N221 WeakPolarHBondContact O-CB 3.25Å; N221-L223 PolarHBondContact O-N 3.49Å; N221-L223 VanDerWaalsContact O-N 3.11Å; N221-L223 WeakPolarHBondContact OD1-CA 3.49Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 2.92Å; N221-G224 PolarHBondContact N-O 3.39Å; N221-G224 PolarHBondContact O-N 2.73Å; N221-G224 PolarHBondContact OD1-N 2.95Å; N221-G224 PolarHBondContact OD1-O 3.15Å
222P94.7Very high96.6Very high63 Ų6352.5 Ų52.541%0.40928%0.282SS..THydrogen-bonded Turntrans-61.1-18.6178.4-26.937.5000115.5D142D142-P222 WeakPolarHBondContact OD2-CG 3.45Å
223L94.7Very high96.6Very high72 Ų7249.3 Ų49.338%0.37727%0.267SS..THydrogen-bonded Turntrans-88.2-18.1176.6-56.9-179.7000112.4A46 D142 P144 N221A46-L223 HydrophobicContact CB-CD1 3.68Å; A46-L223 HydrophobicContact CB-CD2 4.24Å; D142-L223 HydrophobicContact CB-CD1 3.89Å; D142-L223 HydrophobicContact CB-CD2 4.42Å; D142-L223 HydrophobicContact CB-CG 3.87Å; D142-L223 WeakPolarHBondContact O-CD1 3.31Å; P144-L223 HydrophobicContact CG-CD1 3.96Å; N221-L223 PolarHBondContact O-N 3.49Å; N221-L223 VanDerWaalsContact O-N 3.11Å; N221-L223 WeakPolarHBondContact OD1-CA 3.49Å; N221-L223 WeakPolarHBondContact OD1-CB 3.45Å; N221-L223 PolarHBondContact OD1-N 2.92Å
224G94.8Very high96.6Very high32 Ų3247.2 Ų47.233%0.3326%0.257SS..EExtended strand (participates in β ladder)trans146.2-154.7171.700000116E220 N221E220-G224 WeakPolarHBondContact CA-O 3.29Å; N221-G224 PolarHBondContact N-O 3.39Å; N221-G224 PolarHBondContact O-N 2.73Å; N221-G224 PolarHBondContact OD1-N 2.95Å; N221-G224 PolarHBondContact OD1-O 3.15Å
225N96.8Very high96.5Very high114 Ų11443.4 Ų43.461%0.6124%0.238SC*.EExtended strand (participates in β ladder)trans-95136.7-17497.241.4000120.8T218 E220T218-N225 HydrophobicContact CG2-CB 4.13Å; E220-N225 HydrophobicContact CB-CB 4.19Å; E220-N225 HydrophobicContact CG-CB 4.47Å
226M97.8Very high96.3Very high50 Ų5049.3 Ų49.325%0.24626%0.261CS..EExtended strand (participates in β ladder)trans-145.6135.9156.5-16060-178.400113.4I145 R147 P148 T218 V219I145-M226 HydrophobicContact CB-CB 4.26Å; I145-M226 HydrophobicContact CG2-CB 3.76Å; R147-M226 HydrophobicContact CB-CE 3.82Å; R147-M226 HydrophobicContact CG-CE 3.85Å; P148-M226 VanDerWaalsContact CD-CG 3.47Å; T218-M226 CarbonylContact C-O 3.5Å; T218-M226 WeakPolarHBondContact CA-O 3.35Å; V219-M226 PolarHBondContact N-O 3.32Å; V219-M226 PolarHBondContact O-N 2.68Å
227T97.4Very high95.9Very high56 Ų5655.3 Ų55.334%0.34428%0.281SS..EExtended strand (participates in β ladder)trans-109.8143.6179.9-53.40000111.6C217 T218C217-T227 CarbonylContact O-C 3.6Å; C217-T227 WeakPolarHBondContact O-CA 3.41Å; T218-T227 WeakPolarHBondContact OG1-CG2 3.11Å; T218-T227 PolarHBondContact OG1-OG1 3.44Å
228S98Very high95.2Very high7 Ų761.3 Ų61.35%0.04930%0.304CS..PPolyproline II helixtrans-70.1163.1178.874.30000111.8P148 I150 C217P148-S228 WeakPolarHBondContact O-CA 3.47Å; P148-S228 VanDerWaalsContact O-CB 3.26Å; P148-S228 WeakPolarHBondContact O-CB 3.28Å; I150-S228 WeakPolarHBondContact CD1-OG 3.48Å; C217-S228 PolarHBondContact N-OG 2.79Å; C217-S228 PolarHBondContact O-N 3.37Å; C217-S228 PolarHBondContact O-OG 2.9Å
229L96.4Very high94.5Very high118 Ų11863.7 Ų63.762%0.61832%0.321SS*.PPolyproline II helixtrans-62.8141.4162.4-68.6173.4000109.5
230P96.2Very high93.7Very high88 Ų8866.2 Ų66.257%0.57134%0.338SS*.PPolyproline II helixtrans-67.6139.9176.326.8-32.5000110.6I214I214-P230 HydrophobicContact CG2-CB 3.45Å; I214-P230 VanDerWaalsContact CG2-CB 3.45Å
231I96.4Very high92.8Very high34 Ų3465.3 Ų65.317%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-120.3144.1176.749.7152.5000109.8I150 M152 L166 I214 Y215I150-I231 HydrophobicContact CB-CD1 3.75Å; I150-I231 HydrophobicContact CB-CG1 4.31Å; I150-I231 HydrophobicContact CD1-CD1 3.74Å; I150-I231 HydrophobicContact CD1-CG1 3.76Å; I150-I231 HydrophobicContact CG1-CD1 4.34Å; I150-I231 HydrophobicContact CG2-CD1 3.42Å; I150-I231 VanDerWaalsContact CG2-CD1 3.42Å; I150-I231 HydrophobicContact CG2-CG1 4.46Å; M152-I231 HydrophobicContact CE-CB 3.83Å; M152-I231 HydrophobicContact CE-CD1 3.06Å; M152-I231 HydrophobicContact CE-CG1 3.98Å; M152-I231 HydrophobicContact CE-CG2 4.25Å; L166-I231 HydrophobicContact CD2-CD1 3.7Å; I214-I231 CarbonylContact C-O 3.58Å; I214-I231 VanDerWaalsContact CA-O 3.24Å; I214-I231 WeakPolarHBondContact CA-O 3.47Å; Y215-I231 PolarHBondContact N-O 2.9Å; Y215-I231 WeakPolarHBondContact O-CG1 3.47Å; Y215-I231 PolarHBondContact O-N 3.08Å
232R96.2Very high92.1Very high153 Ų15372.4 Ų72.458%0.57737%0.365SS*.EExtended strand (participates in β ladder)trans-103125.3177.7-172.2175.3-170.9-101.2-8.4110.2E212E212-R232 IonicContact OE1-CZ 3.63Å; E212-R232 IonicContact OE1-NH2 2.71Å; E212-R232 PolarHBondContact OE1-NH2 2.86Å
233L96.1Very high91.4Very high0 Ų074.4 Ų74.40%037%0.371CS..EExtended strand (participates in β ladder)trans-94.9120.7170178.459.2000109.1V157 F164 I204 E212 D213 Y215 V235V157-L233 HydrophobicContact CB-CD1 4.48Å; V157-L233 HydrophobicContact CG1-CD1 3.79Å; V157-L233 HydrophobicContact CG1-CD2 4.49Å; V157-L233 HydrophobicContact CG1-CG 4.32Å; F164-L233 HydrophobicContact CD1-CD1 4.14Å; F164-L233 HydrophobicContact CD1-CD2 4.04Å; F164-L233 HydrophobicContact CE1-CD1 3.42Å; F164-L233 VanDerWaalsContact CE1-CD1 3.42Å; F164-L233 HydrophobicContact CE1-CD2 3.9Å; F164-L233 HydrophobicContact CE1-CG 4.27Å; F164-L233 HydrophobicContact CE2-CD1 4.16Å; F164-L233 HydrophobicContact CZ-CD1 3.43Å; F164-L233 VanDerWaalsContact CZ-CD1 3.43Å; I204-L233 HydrophobicContact CD1-CD2 4Å; E212-L233 WeakPolarHBondContact CA-O 3.38Å; E212-L233 WeakPolarHBondContact CG-O 3.4Å; D213-L233 PolarHBondContact O-N 3.16Å; Y215-L233 HydrophobicContact CD2-CB 4.04Å; Y215-L233 HydrophobicContact CE2-CB 3.91Å; Y215-L233 HydrophobicContact CE2-CD2 3.99Å; L233-V235 HydrophobicContact CG-CG2 4.42Å
234A95.3Very high90.7Very high11 Ų1177.1 Ų77.19%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-97133.8172.900000111S155 S156 V157 Y236S155-A234 PolarHBondContact O-N 2.79Å; S156-A234 CarbonylContact C-O 3.56Å; S156-A234 VanDerWaalsContact CA-O 3.28Å; S156-A234 WeakPolarHBondContact CA-O 3.01Å; V157-A234 PolarHBondContact N-O 2.86Å; A234-Y236 HydrophobicContact CB-CE2 4.26Å
235V94.9Very high90.3Very high3 Ų381.4 Ų81.42%0.01840%0.398CS..EExtended strand (participates in β ladder)trans-115.2121.7178.7-1750000109.7V157 E159 V207 M209 E212 L233V157-V235 HydrophobicContact CG1-CG2 3.97Å; V157-V235 WeakPolarHBondContact O-CA 3.37Å; E159-V235 HydrophobicContact CB-CG1 4.19Å; V207-V235 HydrophobicContact CG1-CG1 3.91Å; V207-V235 HydrophobicContact CG1-CG2 3.81Å; M209-V235 VanDerWaalsContact CE-O 3.29Å; M209-V235 WeakPolarHBondContact CE-O 3.37Å; M209-V235 HydrophobicContact SD-CB 4.24Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; E212-V235 HydrophobicContact CB-CB 4.18Å; E212-V235 HydrophobicContact CB-CG2 3.97Å; E212-V235 PolarHBondContact OE2-N 2.81Å; L233-V235 HydrophobicContact CG-CG2 4.42Å
236Y92.3Very high89.9Confident124 Ų12479.1 Ų79.149%0.48639%0.39SS..EExtended strand (participates in β ladder)trans-104.2129.4179.5-68.5-73.9000111.7V157 L158 E159 A234 R238V157-Y236 PolarHBondContact O-N 2.91Å; L158-Y236 WeakPolarHBondContact CA-O 3.33Å; E159-Y236 PolarHBondContact N-O 2.93Å; A234-Y236 HydrophobicContact CB-CE2 4.26Å; Y236-R238 PolarHBondContact O-N 2.83Å
237R90.2Very high89.6Confident144 Ų14479.3 Ų79.354%0.54339%0.394SS..  trans-60.2131.5170.7-74.3-139.1-101.9155-7.9110.6E159 M209 S239 S240 V241E159-R237 WeakPolarHBondContact OE2-CD 3.1Å; E159-R237 VanDerWaalsContact OE2-CG 3.27Å; E159-R237 WeakPolarHBondContact OE2-CG 3.13Å; M209-R237 HydrophobicContact CE-CG 4.39Å; M209-R237 HydrophobicContact CG-CG 3.98Å; M209-R237 HydrophobicContact SD-CG 3.51Å; M209-R237 VanDerWaalsContact SD-CG 3.51Å; R237-S239 PolarHBondContact O-N 2.73Å; R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-N 2.99Å; R237-V241 PolarHBondContact O-N 3.09Å
238R83.2Confident89.3Confident126 Ų12678 Ų7848%0.47539%0.392SS..Hα-helixtrans-54.4-43.2178.5-131.3174.6-174.3149.8-0.8111.5Y236 S240 V241 Y242Y236-R238 PolarHBondContact O-N 2.83Å; R238-S240 PolarHBondContact O-N 3.39Å; R238-V241 PolarHBondContact O-N 3.15Å; R238-Y242 WeakPolarHBondContact O-CD2 3.48Å; R238-Y242 PolarHBondContact O-N 3.01Å
239S83.6Confident88.9Confident63 Ų6379.5 Ų79.544%0.44141%0.409SS..Hα-helixtrans-64.8-35.1177.4550000113.6R237 Y242 I243R237-S239 PolarHBondContact O-N 2.73Å; S239-Y242 PolarHBondContact O-N 2.86Å; S239-I243 VanDerWaalsContact O-CG1 3.31Å; S239-I243 WeakPolarHBondContact O-CG1 3.44Å; S239-I243 PolarHBondContact O-N 2.85Å
240S80.5Confident88.8Confident53 Ų5378.1 Ų78.137%0.37140%0.401SS..Hα-helixtrans-67.8-38.3178.1178.90000111.4R237 R238 Y242 I243 M244R237-S240 WeakPolarHBondContact O-CB 3.3Å; R237-S240 PolarHBondContact O-N 2.99Å; R238-S240 PolarHBondContact O-N 3.39Å; S240-Y242 PolarHBondContact O-N 3.39Å; S240-I243 PolarHBondContact O-N 3.09Å; S240-I243 VanDerWaalsContact O-N 3.16Å; S240-M244 VanDerWaalsContact O-CG 3.31Å; S240-M244 WeakPolarHBondContact O-CG 3.3Å; S240-M244 PolarHBondContact O-N 2.94Å
241V78.9Confident88.7Confident48 Ų4880.4 Ų80.429%0.29140%0.402SS..Hα-helixtrans-63.1-42.5176.3178.50000111.3L158 R237 R238 I243 M244 L245L158-V241 HydrophobicContact CD2-CB 4.5Å; L158-V241 HydrophobicContact CD2-CG2 3.65Å; R237-V241 PolarHBondContact O-N 3.09Å; R238-V241 PolarHBondContact O-N 3.15Å; V241-I243 VanDerWaalsContact C-N 3.33Å; V241-I243 PolarHBondContact O-N 3.44Å; V241-M244 PolarHBondContact O-N 3.03Å; V241-L245 HydrophobicContact CG1-CD1 3.92Å; V241-L245 HydrophobicContact CG1-CG 4.34Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 WeakPolarHBondContact O-CG 3.26Å; V241-L245 PolarHBondContact O-N 2.87Å
242Y80Confident88.6Confident162 Ų16284.2 Ų84.264%0.63542%0.422SS*.Hα-helixtrans-61.8-39.9173.2-75.9-73000112.5R238 S239 S240 S246R238-Y242 WeakPolarHBondContact O-CD2 3.48Å; R238-Y242 PolarHBondContact O-N 3.01Å; S239-Y242 PolarHBondContact O-N 2.86Å; S240-Y242 PolarHBondContact O-N 3.39Å; Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.4Å
243I79.4Confident88.5Confident105 Ų10582.4 Ų82.454%0.53842%0.423SS..Hα-helixtrans-64.9-43.4176-66.8164.4000110.5S239 S240 V241 S246 T247S239-I243 VanDerWaalsContact O-CG1 3.31Å; S239-I243 WeakPolarHBondContact O-CG1 3.44Å; S239-I243 PolarHBondContact O-N 2.85Å; S240-I243 PolarHBondContact O-N 3.09Å; S240-I243 VanDerWaalsContact O-N 3.16Å; V241-I243 VanDerWaalsContact C-N 3.33Å; V241-I243 PolarHBondContact O-N 3.44Å; I243-S246 PolarHBondContact O-N 2.87Å; I243-T247 HydrophobicContact CG2-CG2 4.15Å; I243-T247 VanDerWaalsContact O-CB 3.3Å; I243-T247 WeakPolarHBondContact O-CB 3.36Å; I243-T247 WeakPolarHBondContact O-CG2 3.28Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.79Å
244M80.6Confident88.5Confident128 Ų12886.5 Ų86.563%0.63144%0.444SS*.Hα-helixtrans-65-43178.7-69.6-62-6900112.2S240 V241 T247 G248S240-M244 VanDerWaalsContact O-CG 3.31Å; S240-M244 WeakPolarHBondContact O-CG 3.3Å; S240-M244 PolarHBondContact O-N 2.94Å; V241-M244 PolarHBondContact O-N 3.03Å; M244-T247 PolarHBondContact O-OG1 3.22Å; M244-G248 PolarHBondContact O-N 3.17Å
245L86.3Confident88.5Confident123 Ų12389.7 Ų89.764%0.64446%0.463SS*.Hα-helixtrans-68.4-42.2176.3-69.8173.1000111.8V241 G249V241-L245 HydrophobicContact CG1-CD1 3.92Å; V241-L245 HydrophobicContact CG1-CG 4.34Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 WeakPolarHBondContact O-CG 3.26Å; V241-L245 PolarHBondContact O-N 2.87Å; L245-G249 PolarHBondContact O-N 2.83Å
246S89.4Confident88.5Confident65 Ų6594.6 Ų94.646%0.45549%0.488SS..Hα-helixtrans-66.2-52.7179179.30000111.2Y242 I243 G248 G249 I250Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.4Å; I243-S246 PolarHBondContact O-N 2.87Å; S246-G248 PolarHBondContact O-N 2.8Å; S246-G249 PolarHBondContact O-N 2.76Å; S246-I250 WeakPolarHBondContact O-CB 3.47Å; S246-I250 WeakPolarHBondContact O-CD1 3.49Å; S246-I250 WeakPolarHBondContact O-CG1 3.42Å; S246-I250 PolarHBondContact O-N 2.8Å
247T90.1Very high88.6Confident54 Ų5492.6 Ų92.633%0.33149%0.488SS..Hα-helixtrans-61.9-46177.752.90000111.2I243 M244 G249 I250 F251I243-T247 HydrophobicContact CG2-CG2 4.15Å; I243-T247 VanDerWaalsContact O-CB 3.3Å; I243-T247 WeakPolarHBondContact O-CB 3.36Å; I243-T247 WeakPolarHBondContact O-CG2 3.28Å; I243-T247 PolarHBondContact O-N 3.27Å; I243-T247 PolarHBondContact O-OG1 2.79Å; M244-T247 PolarHBondContact O-OG1 3.22Å; T247-G249 PolarHBondContact O-N 3.2Å; T247-I250 PolarHBondContact O-N 3.4Å; T247-F251 WeakPolarHBondContact O-CB 3.37Å; T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 WeakPolarHBondContact O-CG 3.29Å; T247-F251 PolarHBondContact O-N 3.27Å
248G90.8Very high88.8Confident28 Ų2889 Ų8929%0.28948%0.483SS..Hα-helixtrans-56.9-46.1174.800000112.7M244 S246 F251 I252M244-G248 PolarHBondContact O-N 3.17Å; S246-G248 PolarHBondContact O-N 2.8Å; G248-F251 PolarHBondContact O-N 3.01Å; G248-I252 VanDerWaalsContact O-CG1 3.25Å; G248-I252 WeakPolarHBondContact O-CG1 3.38Å; G248-I252 PolarHBondContact O-N 3.26Å
249G91.2Very high89.4Confident39 Ų3987 Ų8740%0.40248%0.484SS..Hα-helixtrans-62.9-42.8175.400000113L245 S246 T247 I252 L253L245-G249 PolarHBondContact O-N 2.83Å; S246-G249 PolarHBondContact O-N 2.76Å; T247-G249 PolarHBondContact O-N 3.2Å; G249-I252 PolarHBondContact O-N 3.01Å; G249-L253 WeakPolarHBondContact O-CB 3.34Å; G249-L253 PolarHBondContact O-N 2.89Å
250I93.9Very high89.7Confident89 Ų8987.7 Ų87.746%0.45649%0.488SS..Hα-helixtrans-63.4-44.4176.2-67.3160.8000110.5S246 T247 I252 L253 I254S246-I250 WeakPolarHBondContact O-CB 3.47Å; S246-I250 WeakPolarHBondContact O-CD1 3.49Å; S246-I250 WeakPolarHBondContact O-CG1 3.42Å; S246-I250 PolarHBondContact O-N 2.8Å; T247-I250 PolarHBondContact O-N 3.4Å; I250-I252 PolarHBondContact O-N 2.91Å; I250-L253 PolarHBondContact O-N 2.79Å; I250-I254 HydrophobicContact CG2-CD1 3.66Å; I250-I254 HydrophobicContact CG2-CG1 4.3Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.32Å; I250-I254 PolarHBondContact O-N 2.77Å
251F94.3Very high90.1Very high136 Ų13688.2 Ų88.260%0.59650%0.496SS*.Hα-helixtrans-62.1-42.7176.1-78-64.9000111.9T247 G248 L253 I254 T255T247-F251 WeakPolarHBondContact O-CB 3.37Å; T247-F251 WeakPolarHBondContact O-CD2 3.39Å; T247-F251 WeakPolarHBondContact O-CG 3.29Å; T247-F251 PolarHBondContact O-N 3.27Å; G248-F251 PolarHBondContact O-N 3.01Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 2.94Å; F251-I254 PolarHBondContact O-N 3.05Å; F251-T255 WeakPolarHBondContact O-CB 3.48Å; F251-T255 VanDerWaalsContact O-CG2 3.25Å; F251-T255 WeakPolarHBondContact O-CG2 3.4Å; F251-T255 PolarHBondContact O-N 2.94Å; F251-T255 PolarHBondContact O-OG1 3.26Å
252I94.4Very high90.4Very high115 Ų11591.1 Ų91.159%0.5952%0.517SS*.Hα-helixtrans-62-41.7175-68.9166.3000110.6G248 G249 I250 T255 L256G248-I252 VanDerWaalsContact O-CG1 3.25Å; G248-I252 WeakPolarHBondContact O-CG1 3.38Å; G248-I252 PolarHBondContact O-N 3.26Å; G249-I252 PolarHBondContact O-N 3.01Å; I250-I252 PolarHBondContact O-N 2.91Å; I252-T255 WeakPolarHBondContact CA-OG1 3.4Å; I252-T255 PolarHBondContact O-N 2.84Å; I252-T255 PolarHBondContact O-OG1 2.76Å; I252-L256 WeakPolarHBondContact O-CB 3.39Å; I252-L256 PolarHBondContact O-N 2.98Å
253L94.5Very high90.4Very high114 Ų11493 Ų9360%0.59752%0.523SS*.Hα-helixtrans-67.4-44.6179-168147000111.9G249 I250 F251 T255 L256 V257G249-L253 WeakPolarHBondContact O-CB 3.34Å; G249-L253 PolarHBondContact O-N 2.89Å; I250-L253 PolarHBondContact O-N 2.79Å; F251-L253 VanDerWaalsContact C-N 3.32Å; F251-L253 PolarHBondContact O-N 2.94Å; L253-T255 PolarHBondContact O-N 2.79Å; L253-L256 PolarHBondContact O-N 2.78Å; L253-V257 HydrophobicContact CD2-CG2 4.03Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.3Å; L253-V257 PolarHBondContact O-N 2.87Å
254I95.1Very high89.9Confident87 Ų8793.2 Ų93.245%0.44653%0.53SS..Hα-helixtrans-61.6-44.6176.3-68.1167.3000110.6I250 F251 L256 V257 T258I250-I254 HydrophobicContact CG2-CD1 3.66Å; I250-I254 HydrophobicContact CG2-CG1 4.3Å; I250-I254 VanDerWaalsContact O-CG1 3.27Å; I250-I254 WeakPolarHBondContact O-CG1 3.32Å; I250-I254 PolarHBondContact O-N 2.77Å; F251-I254 PolarHBondContact O-N 3.05Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.86Å; I254-V257 PolarHBondContact O-N 2.91Å; I254-T258 HydrophobicContact CG2-CG2 4.31Å; I254-T258 WeakPolarHBondContact O-CB 3.16Å; I254-T258 VanDerWaalsContact O-CG2 3.27Å; I254-T258 WeakPolarHBondContact O-CG2 3.37Å; I254-T258 PolarHBondContact O-N 2.86Å; I254-T258 PolarHBondContact O-OG1 3.21Å
255T94.6Very high88.8Confident78 Ų7892 Ų9248%0.47953%0.531SS..Hα-helixtrans-64-38.9177.751.90000111.8F251 I252 L253 T258 V259F251-T255 WeakPolarHBondContact O-CB 3.48Å; F251-T255 VanDerWaalsContact O-CG2 3.25Å; F251-T255 WeakPolarHBondContact O-CG2 3.4Å; F251-T255 PolarHBondContact O-N 2.94Å; F251-T255 PolarHBondContact O-OG1 3.26Å; I252-T255 WeakPolarHBondContact CA-OG1 3.4Å; I252-T255 PolarHBondContact O-N 2.84Å; I252-T255 PolarHBondContact O-OG1 2.76Å; L253-T255 PolarHBondContact O-N 2.79Å; T255-T258 VanDerWaalsContact CA-OG1 3.3Å; T255-T258 WeakPolarHBondContact CA-OG1 3.19Å; T255-T258 PolarHBondContact O-OG1 2.8Å; T255-V259 WeakPolarHBondContact O-CB 3.48Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.1Å
256L95.1Very high87.4Confident106 Ų10691.4 Ų91.456%0.55554%0.537SS*.Hα-helixtrans-66-46.4175.8-161.8157.4000111.6I252 L253 I254 T258 V259 C260I252-L256 WeakPolarHBondContact O-CB 3.39Å; I252-L256 PolarHBondContact O-N 2.98Å; L253-L256 PolarHBondContact O-N 2.78Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.86Å; L256-T258 PolarHBondContact O-N 2.59Å; L256-V259 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-N 3.15Å; L256-C260 PolarHBondContact O-SG 2.54Å; L256-C260 VanDerWaalsContact O-SG 3.34Å
257V95.4Very high85.6Confident81 Ų8197.2 Ų97.249%0.49155%0.554SS.*Hα-helixtrans-62-43.3177.7171.40000111.5L253 I254 C260 A261L253-V257 HydrophobicContact CD2-CG2 4.03Å; L253-V257 VanDerWaalsContact O-CG2 3.3Å; L253-V257 WeakPolarHBondContact O-CG2 3.3Å; L253-V257 PolarHBondContact O-N 2.87Å; I254-V257 PolarHBondContact O-N 2.91Å; V257-C260 PolarHBondContact O-N 2.75Å; V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 2.99Å
258T94.1Very high83.6Confident70 Ų70101.7 Ų101.743%0.42958%0.576SS.*Hα-helixtrans-64.5-42.4177.549.70000111.7I254 T255 L256 C260 A261 C262I254-T258 HydrophobicContact CG2-CG2 4.31Å; I254-T258 WeakPolarHBondContact O-CB 3.16Å; I254-T258 VanDerWaalsContact O-CG2 3.27Å; I254-T258 WeakPolarHBondContact O-CG2 3.37Å; I254-T258 PolarHBondContact O-N 2.86Å; I254-T258 PolarHBondContact O-OG1 3.21Å; T255-T258 VanDerWaalsContact CA-OG1 3.3Å; T255-T258 WeakPolarHBondContact CA-OG1 3.19Å; T255-T258 PolarHBondContact O-OG1 2.8Å; L256-T258 PolarHBondContact O-N 2.59Å; T258-C260 PolarHBondContact O-N 2.66Å; T258-A261 PolarHBondContact O-N 3.16Å; T258-C262 WeakPolarHBondContact O-CB 3.28Å; T258-C262 PolarHBondContact O-N 3.13Å; T258-C262 PolarHBondContact O-SG 2.83Å
259V94.6Very high81.6Confident83 Ų83108.4 Ų108.450%0.50361%0.605SS.*Hα-helixtrans-59.1-46.3172.8169.40000110.9T255 L256 A261 C262 W263T255-V259 WeakPolarHBondContact O-CB 3.48Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 3.46Å; T255-V259 PolarHBondContact O-N 3.1Å; L256-V259 PolarHBondContact O-N 3.05Å; V259-A261 PolarHBondContact O-N 2.91Å; V259-C262 PolarHBondContact O-N 3.36Å; V259-W263 HydrophobicContact CG1-CE3 4.07Å; V259-W263 HydrophobicContact CG1-CZ3 4.42Å; V259-W263 WeakPolarHBondContact O-CB 3.24Å; V259-W263 PolarHBondContact O-N 3.11Å
260C91.3Very high79.5Confident78 Ų78118.2 Ų118.253%0.52763%0.63SS.*Hα-helixtrans-63.9-39177.7-70.50000113.3L256 V257 T258 W263L256-C260 PolarHBondContact O-N 3.15Å; L256-C260 PolarHBondContact O-SG 2.54Å; L256-C260 VanDerWaalsContact O-SG 3.34Å; V257-C260 PolarHBondContact O-N 2.75Å; T258-C260 PolarHBondContact O-N 2.66Å; C260-W263 PolarHBondContact O-N 3.5Å
261A89.1Confident76.7Confident64 Ų64119.1 Ų119.153%0.52964%0.644SS.*Hα-helixtrans-70.8-37.8178.200000112.2V257 T258 V259 W263V257-A261 WeakPolarHBondContact O-CB 3.47Å; V257-A261 PolarHBondContact O-N 2.99Å; T258-A261 PolarHBondContact O-N 3.16Å; V259-A261 PolarHBondContact O-N 2.91Å; A261-W263 PolarHBondContact O-N 3.09Å
262C84.9Confident73.9Confident109 Ų109123.5 Ų123.574%0.73666%0.656SS**Hα-helixtrans-69.4-21172-68.20000112.3T258 V259 T264T258-C262 WeakPolarHBondContact O-CB 3.28Å; T258-C262 PolarHBondContact O-N 3.13Å; T258-C262 PolarHBondContact O-SG 2.83Å; V259-C262 PolarHBondContact O-N 3.36Å; C262-T264 PolarHBondContact O-N 2.96Å
263W80.4Confident71.2Confident202 Ų202127.6 Ų127.677%0.76567%0.673SS**THydrogen-bonded Turntrans-84.634.9175.6-146.6-40.5000113.3V259 C260 A261 P265V259-W263 HydrophobicContact CG1-CE3 4.07Å; V259-W263 HydrophobicContact CG1-CZ3 4.42Å; V259-W263 WeakPolarHBondContact O-CB 3.24Å; V259-W263 PolarHBondContact O-N 3.11Å; C260-W263 PolarHBondContact O-N 3.5Å; A261-W263 PolarHBondContact O-N 3.09Å; W263-P265 VanDerWaalsContact O-CD 3.26Å; W263-P265 WeakPolarHBondContact O-CD 3.41Å
264T67.5Low68.4Low109 Ų109130.3 Ų130.367%0.66968%0.682SS**  trans-65.2118.3165.840.20000108.2C262 S266C262-T264 PolarHBondContact O-N 2.96Å; T264-S266 PolarHBondContact O-N 3.48Å; T264-S266 VanDerWaalsContact O-N 3.1Å
265P58.6Low65.5Low102 Ų102132 Ų13266%0.66270%0.697SS**  trans-63.6121.6177.825.1-30.2000106.9W263 K267W263-P265 VanDerWaalsContact O-CD 3.26Å; W263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-K267 VanDerWaalsContact C-N 3.3Å; P265-K267 PolarHBondContact O-N 2.99Å
266S56.3Low62.4Low111 Ų111140.1 Ų140.178%0.77672%0.719SS**  trans-51.297.2172.5-179.10000108.6T264 N268T264-S266 PolarHBondContact O-N 3.48Å; T264-S266 VanDerWaalsContact O-N 3.1Å; S266-N268 VanDerWaalsContact C-N 3.3Å; S266-N268 PolarHBondContact O-N 3.12Å
267K50.6Low59.3Low186 Ų186144.4 Ų144.481%0.80973%0.733SS**  trans-69.298.4167.7-73.6-174.4-179.9179.40105.1P265 L269P265-K267 VanDerWaalsContact C-N 3.3Å; P265-K267 PolarHBondContact O-N 2.99Å; K267-L269 VanDerWaalsContact C-N 3.35Å; K267-L269 PolarHBondContact O-N 2.89Å
268N49.9Very low56.2Low148 Ų148145.7 Ų145.779%0.79175%0.746SS**  trans-49.2100.7165.2-100.9-29.2000108.9S266 R270S266-N268 VanDerWaalsContact C-N 3.3Å; S266-N268 PolarHBondContact O-N 3.12Å; N268-R270 PolarHBondContact O-N 2.97Å
269L48.1Very low53.3Low170 Ų170154 Ų15489%0.8977%0.769SS**  trans-63.787.9162.1-93.9143.4000107.6K267 S271K267-L269 VanDerWaalsContact C-N 3.35Å; K267-L269 PolarHBondContact O-N 2.89Å; L269-S271 PolarHBondContact O-N 2.74Å
270R46.5Very low50.4Low245 Ų245158 Ų15893%0.92579%0.786SS**  trans-72.993.1156.8-95.5-176.1175178.3-0.9107.7N268N268-R270 PolarHBondContact O-N 2.97Å
271S36.3Very low47.4Very low108 Ų108165 Ų16576%0.75580%0.803SS**  trans-165.5132.1148.4179.10000111.9L269L269-S271 PolarHBondContact O-N 2.74Å
272R35.4Very low44.5Very low228 Ų228165.1 Ų165.186%0.8681%0.811SS**  trans106.163.7157.2-144.6172.8-166.61784.7117.7
273Q37.2Very low41.8Very low200 Ų200167.3 Ų167.394%0.93582%0.815SS**  trans-106.871.5147.8-154.8174.99.400108.1
274E35.7Very low39.3Very low171 Ų171162.4 Ų162.480%0.79981%0.812SS**  trans-123.9104.3163.5-89.3-170.2161.600109.6R276E274-R276 PolarHBondContact O-N 2.92Å
275T33.9Very low37.5Very low124 Ų124166 Ų16676%0.76182%0.821SS**  trans-13110.7160.544.80000117.2
276R29.2Very low36.2Very low247 Ų247169.2 Ų169.293%0.93283%0.826SS**  trans-97.491.5149.8-164.2175.7-175.5179.40.8108.1E274 S278E274-R276 PolarHBondContact O-N 2.92Å; R276-S278 PolarHBondContact O-N 2.83Å
277K29.4Very low34.8Very low196 Ų196173.5 Ų173.585%0.85283%0.831SS**  trans-67107167.4-80.4179.5176.6174.90108.5
278S31Very low33.6Very low109 Ų109171.4 Ų171.476%0.76282%0.824SS**  trans-86.5118.6159.147.20000108.8R276R276-S278 PolarHBondContact O-N 2.83Å
279R32.8Very low32.7Very low243 Ų243172.9 Ų172.992%0.91783%0.831SS**  trans-79.2118.2159.5-77180-167163.94107.5
280I33.9Very low31.7Very low167 Ų167173.6 Ų173.686%0.85683%0.827SS**  trans-141.8128.6148.9-61-173.7000107.3
281Y28.8Very low30.8Very low227 Ų227171.1 Ų171.189%0.8983%0.826SS**  trans-96.7153.3-178.5-151.9-91000109.7
282G28.8Very low30.4Very low66 Ų66174 Ų17468%0.6882%0.824SS**  trans129.973.8170.700000111.8
283N27.4Very low30.2Very low155 Ų155169.9 Ų169.983%0.82982%0.82SS**  62.999.584.6-160.541.2000113.3
284S27.1Very low29.9Very low99 Ų99166.9 Ų166.969%0.69281%0.81SS**  trans-169.7118.3141.6-1650000112.2
285H31.5Very low29.8Very low185 Ų185165.7 Ų165.786%0.85681%0.814SS**  trans70.2120.1158.2-66.7-60.5000122.8
286H30.1Very low29.6Very low169 Ų169167.4 Ų167.478%0.78282%0.818SS**  trans-123.8124174.4-148.9-12.1000107.6
287K26.8Very low30Very low201 Ų201160.7 Ų160.787%0.87481%0.806SS**  trans176.9103.1136.7-105.2-176.4174.5179.80108.4
288Q25.9Very low29.9Very low141 Ų141160.1 Ų160.166%0.65980%0.804SS**  66.5106.686.9-83.9-102.732.300113.5
289L30.7Very low29.6Very low180 Ų180163.5 Ų163.594%0.94281%0.81SS**  -152.5134.3116.6-110.8133.3000109.8
290K27.1Very low29.2Very low184 Ų184163 Ų16380%0.881%0.808SS**  trans-106.4122.7-171.1-167.2-174.3-169.3-1750106.6
291Q26.8Very low29Very low193 Ų193162.9 Ų162.990%0.90280%0.804SS**  trans-151.3134.9149-162.6157.7-7.500109.6
292K28.4Very low29.2Very low168 Ų168159 Ų15973%0.7379%0.793SS**  trans-92.8145.7-174.7-164.2-178.4-178.2-174.80107.8
293D32.7Very low29.2Very low142 Ų142162.6 Ų162.676%0.75980%0.797SS**  -178161123.9-80.1-18.1000110.7
294D30.6Very low29.3Very low138 Ų138158.6 Ų158.674%0.73879%0.792SS**  trans-67.8156.7-150.4-63.2-58.7000117.8
295V32.2Very low29.5Very low145 Ų145161.4 Ų161.488%0.87980%0.798SS**  177.1133.4120.9158.10000110.8
296L30.6Very low29.4Very low161 Ų161162 Ų16284%0.84380%0.798SS**  trans-80.5147.4-174.7-174.576000113.2
297P37Very low29.3Very low106 Ų106158.9 Ų158.969%0.68880%0.801SS**  trans-108.6167.4175.738.5-28.9000113.6
298K27.2Very low29.5Very low183 Ų183155.9 Ų155.980%0.79680%0.8SS**  141.9129116.7-161.9166.9-171.41730114.5
299M24.5Very low29.6Very low181 Ų181155.1 Ų155.189%0.89281%0.805SS**  trans-86.1147.8170.1-160.9-174.8-166.500110.6
300R26.2Very low29.6Very low232 Ų232151.8 Ų151.888%0.87580%0.796SS**  trans-152.1151.3159.6-112.7-175.6-174.2-178.20.8112
301E27.8Very low29.8Very low164 Ų164150.6 Ų150.677%0.76680%0.798SS**  trans-115.4153.1-162.6-156.9176-159.400111.1
302H32.9Very low30Very low145 Ų145151.8 Ų151.867%0.67180%0.795SS**  trans80.9130.3147.2-88.57.4000125.4
303N29.5Very low30.3Very low143 Ų143151 Ų15177%0.76581%0.805SS**  trans83127.1140.4-65.3-10.3000121.1
304G28.8Very low30.2Very low70 Ų70151.7 Ų151.772%0.72281%0.808SS**  trans-105.9-170.6-174.100000116.2
305I33Very low30.3Very low158 Ų158153.8 Ų153.881%0.8181%0.813SS**  trans160.4123.9140.5-84.8168.7000110.2
306K28.5Very low30.1Very low199 Ų199155.8 Ų155.887%0.86581%0.812SS**  trans48.8124.1150.1-63.4174.2-171-177.20122.2
307A27.6Very low29.9Very low103 Ų103156 Ų15685%0.85181%0.807SS**  -160.7144.9118.900000110.8
308V32.2Very low29.6Very low138 Ų138158.1 Ų158.184%0.83681%0.807SS**  trans-86.6147.7-172.3-179.70000111.1
309T27.4Very low30Very low125 Ų125154.9 Ų154.977%0.76781%0.805SS**  trans135.9107.4134.7-49.40000112.6
310S30.1Very low30.1Very low109 Ų109150.7 Ų150.776%0.76279%0.793SS**  -178.8124.6119.631.30000110.1
311L32.8Very low30.5Very low159 Ų159146.2 Ų146.283%0.83279%0.792SS**  trans-51.9133.5160.3-9187.4000109.2
312Y31Very low30.6Very low218 Ų218144.9 Ų144.986%0.85579%0.79SS**  -162.9114.4124.1-79.1-68.8000107.3L314Y312-L314 PolarHBondContact O-N 2.73Å
313V33.1Very low30.4Very low153 Ų153144.9 Ų144.993%0.92780%0.795SS**  trans-80.4100.7165.1174.50000106.1
314L31.9Very low30.5Very low156 Ų156145.2 Ų145.282%0.81780%0.796SS**  trans-88.8124162.6-80.4169.8000108.6Y312Y312-L314 PolarHBondContact O-N 2.73Å
315Q32.5Very low30.6Very low182 Ų182146.6 Ų146.685%0.8580%0.795SS**  trans-66.7124.4171.3-175.2164.3-18.500110.5
316Q27.9Very low30.6Very low186 Ų186143.5 Ų143.587%0.86979%0.787SS**  trans-139.9109.4160.5-77.5178.8-18.100104.6
317K25.2Very low30.7Very low166 Ų166141.5 Ų141.572%0.72279%0.785SS**  61.3102.360.9-161166.3-175.7174.30113.4
318E32.2Very low31Very low151 Ų151141 Ų14171%0.70678%0.776SS**  trans77.9154.7147.4-77.5176.9-16200119.2
319P34.7Very low30.9Very low114 Ų114142.9 Ų142.974%0.7478%0.779SS**  cis-140.3167.72638.8-17.8000119
320S27.7Very low31Very low93 Ų93140.2 Ų140.265%0.6578%0.777SS**  trans-54.3150.5153.750.20000114.1
321V32.8Very low31Very low138 Ų138140.6 Ų140.684%0.83678%0.779SS**  -160.7138.3124.1-175.80000109.3
322D29.9Very low31.7Very low136 Ų136138.6 Ų138.673%0.72778%0.776SS**  trans-57.5178.1173.1-40.4-73.5000113.3
323D29.5Very low31.7Very low146 Ų146133.2 Ų133.278%0.78177%0.77SS**  cis-174.3175.512.9-137.8-25.3000108.8
324L30.7Very low31.6Very low149 Ų149134.1 Ų134.178%0.7876%0.764SS**  trans108.792.2160.6-63.6160.7000119.8
325S31.7Very low31.5Very low100 Ų100133.1 Ų133.170%0.69976%0.759SS**  48139.7116.274.80000120.2
326S32.6Very low31.3Very low93 Ų93131 Ų13165%0.6575%0.754SS**  cis-173.7146.939.157.70000113.7
327N31Very low31.6Very low156 Ų156127.4 Ų127.483%0.83475%0.749SS**  trans66.8139.2138.6-64.1-6.6000119.6
328S33.3Very low32.9Very low94 Ų94124.9 Ų124.966%0.65775%0.75SS**  cis-172.5150.230.456.20000114.4
329I31.6Very low33.5Very low176 Ų176123 Ų12390%0.90375%0.751SS**  trans71.8128.8143.5-60.5154.8000118.1
330G29.4Very low33.2Very low69 Ų69122.3 Ų122.371%0.71175%0.749SS**  cis-167.2165.910.100000113.5
331S29.2Very low33.4Very low117 Ų117128.6 Ų128.682%0.81876%0.76SS**  trans-91.7-165.2-175.6-40.10000112.4
332P46.9Very low33.2Very low118 Ų118127.4 Ų127.477%0.76675%0.753SS**  cis-142.2-171.3-6.535.1-11.8000116.8
333S31.3Very low33.2Very low105 Ų105127.4 Ų127.473%0.73476%0.758SS**  trans103.895.9156.776.50000116.8
334E31.7Very low33.3Very low171 Ų171129.1 Ų129.180%0.79976%0.759SS**  90.7110.766.4-83.5-160.8146.900113.7
335L30.2Very low33.6Very low136 Ų136127.2 Ų127.271%0.71276%0.756SS**  76.6129118.1-99.869.5000113.9
336D28.8Very low33.5Very low137 Ų137130.1 Ų130.173%0.73376%0.763SS**  cis-161.7155.343.5-94.4-42.8000113.1
337S32.3Very low33.2Very low111 Ų111136.1 Ų136.178%0.77677%0.773SS**  trans-149.8168.6154.3-51.30000106.1
338P52.8Low33.3Very low113 Ų113134.9 Ų134.973%0.73477%0.771SS**  cis-135.2-151-11.136.1-10.7000110.5
339P45.3Very low33Very low112 Ų112138.2 Ų138.273%0.72778%0.782SS**  -144.8158.867.633.9-11.6000117.2
340S29.1Very low33Very low99 Ų99135 Ų13569%0.69278%0.775SS**  trans-70.9147.316948.30000114.4
341Y30.6Very low33Very low224 Ų224139.7 Ų139.788%0.87878%0.783SS**  trans-122.2115.1153.5-83.7-82.6000110.7
342T28.9Very low33.1Very low113 Ų113140.5 Ų140.569%0.69378%0.783SS**  trans-82.6133.1164.442.30000110
343T29.7Very low32.5Very low137 Ų137146.7 Ų146.784%0.8479%0.791SS**  trans-137.2112.8158-34.70000109.2
344F32.4Very low32.4Very low181 Ų181147 Ų14779%0.79479%0.793SS**PPolyproline II helixtrans-89.8145.7167.9-71.8-90.3000109.4
345P37.8Very low32.7Very low110 Ų110142.9 Ų142.971%0.71480%0.796SS**PPolyproline II helixtrans-99128.315429.4-20.7000111.4
346N27.9Very low32.8Very low161 Ų161139.3 Ų139.386%0.86179%0.792SS**PPolyproline II helixtrans-60.2127.6168.3-75.6-35.2000111.1
347Y27.9Very low33.1Very low219 Ų219139.3 Ų139.386%0.85980%0.798SS**  trans-110.4117.2157.9-98.8-87.3000109.9
348T31.8Very low33.3Very low130 Ų130140.1 Ų140.180%0.79880%0.8SS**  trans-62.6124.3172.833.50000111.7S350T348-S350 PolarHBondContact O-N 3Å
349N27.8Very low32.4Very low163 Ų163138.6 Ų138.687%0.87280%0.797SS**  trans-69.8113.7164.8-91-28.6000110.2
350S30.3Very low31.9Very low108 Ų108137.6 Ų137.676%0.75579%0.793SS**  trans-105.2110.6157600000109T348 V352T348-S350 PolarHBondContact O-N 3Å; S350-V352 PolarHBondContact O-N 2.8Å
351L31.3Very low32.3Very low168 Ų168138 Ų13888%0.8880%0.795SS**  trans-60.4118169.5-79.2104.9000110.3
352V31.3Very low33Very low135 Ų135134.4 Ų134.482%0.81879%0.785SS**  trans-113.2113.4151.4177.20000107.6S350 S354S350-V352 PolarHBondContact O-N 2.8Å; V352-S354 PolarHBondContact O-N 2.84Å
353R33Very low33.8Very low247 Ų247132.9 Ų132.993%0.93278%0.776SS**  trans-73.6109.7178-168.9179.3-166173.33.1108.4
354S30.5Very low34.7Very low113 Ų113135 Ų13579%0.7977%0.774SS**  trans-124.8104.2163.6174.60000107.5V352 G356V352-S354 PolarHBondContact O-N 2.84Å; S354-G356 PolarHBondContact O-N 2.93Å
355G37.1Very low35.9Very low83 Ų83128.7 Ų128.786%0.85675%0.752SS**  trans-73.4116.217300000109.4
356G31.8Very low36.1Very low62 Ų62132.4 Ų132.464%0.63977%0.772SS**  trans-155.5101.616900000108.1S354S354-G356 PolarHBondContact O-N 2.93Å
357T35.8Very low36.5Very low137 Ų137131 Ų13184%0.8477%0.768SS**  trans-47.8124.116322.10000109.4A359T357-A359 VanDerWaalsContact C-N 3.33Å; T357-A359 PolarHBondContact O-N 3.03Å
358P35.7Very low37Very low127 Ų127126.4 Ų126.483%0.82576%0.763SS**  trans-73.398.6163.828.5-27000106.3S360P358-S360 PolarHBondContact O-N 2.85Å; P358-S360 VanDerWaalsContact O-N 3.17Å
359A34.4Very low37.2Very low82 Ų82126.2 Ų126.268%0.67876%0.761SS**  trans-55.6120.9156.400000105.9T357 S361T357-A359 VanDerWaalsContact C-N 3.33Å; T357-A359 PolarHBondContact O-N 3.03Å; A359-S361 PolarHBondContact O-N 2.94Å
360S34.6Very low37.8Very low91 Ų91124 Ų12464%0.63676%0.755SS**  trans-62.782170.557.10000108.2P358 F362P358-S360 PolarHBondContact O-N 2.85Å; P358-S360 VanDerWaalsContact O-N 3.17Å; S360-F362 VanDerWaalsContact C-N 3.32Å; S360-F362 WeakPolarHBondContact O-CD2 3.18Å; S360-F362 PolarHBondContact O-N 3.02Å
361S37.2Very low38.3Very low106 Ų106125 Ų12574%0.74176%0.755SS**  trans-75.494170.358.50000106.5A359A359-S361 PolarHBondContact O-N 2.94Å
362F44.9Very low38.7Very low150 Ų150122.1 Ų122.166%0.65875%0.746SS**  trans-52.6133.1168.1-63.1-83.2000108.5S360 K364S360-F362 VanDerWaalsContact C-N 3.32Å; S360-F362 WeakPolarHBondContact O-CD2 3.18Å; S360-F362 PolarHBondContact O-N 3.02Å; F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.1Å
363P45.6Very low39.3Very low80 Ų80121.2 Ų121.252%0.51974%0.741SS.*  trans-60.8104.6166.824.3-29.4000106.6N167 C365N167-P363 PolarHBondContact ND2-O 3.28Å; P363-C365 PolarHBondContact O-N 3.38Å
364K50Low39.7Very low182 Ų182111.5 Ų111.579%0.79173%0.727SS**  trans-66.6122.3178.1-70.1-177.4178.1178.90106.9F362 V366F362-K364 VanDerWaalsContact C-N 3.33Å; F362-K364 PolarHBondContact O-N 3.1Å; K364-V366 HydrophobicContact CB-CG2 4.42Å; K364-V366 PolarHBondContact O-N 3.32Å; K364-V366 VanDerWaalsContact O-N 3.14Å
365C56.3Low40.5Very low49 Ų49111.4 Ų111.433%0.33172%0.721SS.*  trans-60.2112.2159.1-56.70000105.8V165 C201 P363V165-C365 HydrophobicContact CG1-CB 4.22Å; C201-C365 HydrophobicContact CB-CB 3.63Å; C201-C365 WeakPolarHBondContact CB-SG 3.17Å; C201-C365 WeakPolarHBondContact SG-CB 3.44Å; C201-C365 CovalentContact SG-SG 2.03Å; C201-C365 PolarHBondContact SG-SG 3.04Å; P363-C365 PolarHBondContact O-N 3.38Å
366V42.8Very low40.8Very low188 Ų188114 Ų114100%1.13971%0.709SS**  trans-96.90176.3177.30000108.7K364K364-V366 HydrophobicContact CB-CG2 4.42Å; K364-V366 PolarHBondContact O-N 3.32Å; K364-V366 VanDerWaalsContact O-N 3.14Å

Retrieved 366 of 366 residues in 637.2 ms (Link to these results)