A0A077ZFL4_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZFL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 500 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.5Low51.4Low252 Ų252181.2 Ų181.2100%1.24189%0.89SS**  0101.30-123163.6131.100107.1
2V43Very low51.8Low127 Ų127177.3 Ų177.377%0.7788%0.884SS**  trans-104.3159.6-171.6-179.20000107
3L43.1Very low52.3Low151 Ų151180.6 Ų180.679%0.79188%0.883SS**  trans83.5108.8170.7-68.5100.9000116.9
4R50.8Low52.4Low228 Ų228174.9 Ų174.986%0.8688%0.879SS**  160.3111.8108.6-91.9-177.8171.2-177.5-2.8110.5
5Q55.7Low52.4Low197 Ų197171.4 Ų171.492%0.92188%0.875SS**  166.698.8115.8-99.1169-29.300109.7
6R49.3Very low52.8Low238 Ų238167.3 Ų167.390%0.89887%0.866SS**  trans-83.3170151.5-74.2-179.1170.3-179.1-3.6107.7
7V56Low53Low140 Ų140169.2 Ų169.285%0.84887%0.866SS**  trans99.383.2173.7-169.40000112.9
8V57.7Low53.2Low141 Ų141168.9 Ų168.986%0.85587%0.866SS**  -169.483.8126.5-177.70000105.6
9L53.3Low53.6Low160 Ų160166.9 Ų166.984%0.83886%0.856SS**  trans-150.556.3-179.3-138.8149.2000109.8
10L50.9Low53.9Low170 Ų170164.5 Ų164.589%0.8985%0.854SS**SBendtrans-165.155.6176.1-130.3111.9000114
11Q54.6Low54.3Low189 Ų189165.4 Ų165.488%0.88385%0.852SS**SBendtrans-1517.5165.9-95.3-146.4-23.200117.9
12V56.3Low54.8Low134 Ų134160.4 Ų160.481%0.81283%0.829SS**SBendtrans-114.725.1-175.6-1600000113.8
13Y57.2Low55.6Low221 Ų221159.3 Ų159.387%0.86782%0.824SS**SBendtrans-109.89.4179.7-88.6-81.2000115.2
14A54.4Low56.2Low101 Ų101163 Ų16384%0.83583%0.828SS**SBendtrans-113.511.8-17500000116
15C52.7Low56.6Low122 Ų122158.1 Ų158.182%0.82483%0.827SS**SBendtrans-111.45.8176.3-94.10000115
16C58.4Low56.9Low106 Ų106155.5 Ų155.572%0.71682%0.819SS**THydrogen-bonded Turntrans-91.69.9-170.6-71.40000116.3
17F56.3Low57.7Low199 Ų199149.3 Ų149.387%0.87381%0.812SS**THydrogen-bonded Turntrans-1195.6-171.5-99.2-84.8000117
18L56.9Low58.4Low164 Ų164151.8 Ų151.886%0.85981%0.814SS**SBendtrans-14140.2-175.1-76.4172.9000116
19I59.7Low59.7Low132 Ų132149.7 Ų149.768%0.67781%0.806SS**  trans-137.283.9166.2-50.6177.8000110.7F21I19-F21 PolarHBondContact O-N 3.38Å
20S60.6Low61.6Low118 Ų118143.3 Ų143.383%0.82578%0.775SS**  trans-79.615.9170-34.50000113.3
21F61Low63.6Low183 Ų183142.6 Ų142.680%0.80377%0.767SS**  trans-119.364.8176.8-73.4-85.8000109.4I19 P23I19-F21 PolarHBondContact O-N 3.38Å; F21-P23 WeakPolarHBondContact O-CD 3.41Å
22I62.4Low65.6Low148 Ų148139.6 Ų139.676%0.75975%0.753SS**  trans-74109.6157.4-57.7176.2000104.2R24I22-R24 PolarHBondContact O-N 2.71Å
23P60.9Low67.5Low104 Ų104135.2 Ų135.268%0.67574%0.735SS**  trans-54.3121.4170.423.9-30.8000105.4F21 C25F21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-C25 PolarHBondContact O-N 3.4Å
24R55Low69.4Low229 Ų229127.1 Ų127.186%0.86471%0.708SS**  trans-46.2116.9162-72.2178.8-179.9169.80.1103.6I22 D26I22-R24 PolarHBondContact O-N 2.71Å; R24-D26 PolarHBondContact O-N 2.78Å
25C59.7Low71.5Confident124 Ų124127 Ų12784%0.83869%0.691SS**  trans-63.781.9167.4-73.10000104P23 S27P23-C25 PolarHBondContact O-N 3.4Å; C25-S27 PolarHBondContact O-N 3.27Å
26D61.1Low73.6Confident143 Ų143123.7 Ų123.777%0.76567%0.667SS**  trans-50.9113.4167.1-133.50.8000102.2R24 Q28R24-D26 PolarHBondContact O-N 2.78Å; D26-Q28 PolarHBondContact O-N 3.06Å
27S65.8Low75.4Confident108 Ų108122.4 Ų122.476%0.75566%0.655SS**  trans-51.596.9-172.249.90000106.7C25 S29C25-S27 PolarHBondContact O-N 3.27Å; S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.43Å
28Q71.7Confident77.3Confident191 Ų191117.1 Ų117.189%0.89364%0.635SS**  trans-59.8104.9-175.3-109.8177.8-5.100104.2D26 C30D26-Q28 PolarHBondContact O-N 3.06Å; Q28-C30 PolarHBondContact O-N 2.69Å
29S85.3Confident79.1Confident98 Ų98114 Ų11469%0.68563%0.628SS**PPolyproline II helixtrans-59.5116.7-179.267.20000105.4S27S27-S29 VanDerWaalsContact C-N 3.31Å; S27-S29 PolarHBondContact O-N 3.43Å
30C91.8Very high80.8Confident26 Ų26112.1 Ų112.118%0.17662%0.615CS.*PPolyproline II helixtrans-60149.3173.552.40000108.8Q28 E32 C45Q28-C30 PolarHBondContact O-N 2.69Å; C30-E32 PolarHBondContact O-N 3.32Å; C30-C45 VanDerWaalsContact CA-SG 3.56Å; C30-C45 HydrophobicContact CB-CB 3.55Å; C30-C45 WeakPolarHBondContact CB-SG 3.32Å; C30-C45 PolarHBondContact O-SG 3.44Å; C30-C45 WeakPolarHBondContact SG-CB 3.44Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 3.15Å
31Q94.9Very high82.5Confident155 Ų155107.2 Ų107.272%0.72458%0.579SS**PPolyproline II helixtrans-72.7127.2174.8-76.8-177.3-21.700109.1G33 T34 C45Q31-G33 PolarHBondContact O-N 3.18Å; Q31-T34 HydrophobicContact CB-CG2 3.56Å; Q31-T34 WeakPolarHBondContact O-CB 3.32Å; Q31-T34 WeakPolarHBondContact O-CG2 3.37Å; Q31-T34 PolarHBondContact O-N 3.29Å; Q31-T34 PolarHBondContact O-OG1 3.39Å; Q31-C45 WeakPolarHBondContact O-CB 3.48Å
32E96Very high84.3Confident125 Ų12598.5 Ų98.558%0.58454%0.541SS*.THydrogen-bonded Turntrans-49.3130.2-177.7-170.563.7-160.100111.2C30 T34 Q46 G47C30-E32 PolarHBondContact O-N 3.32Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.86Å; E32-Q46 WeakPolarHBondContact OE1-CA 3.33Å; E32-Q46 WeakPolarHBondContact OE2-CA 3.37Å; E32-G47 PolarHBondContact OE2-N 3.13Å
33G96.3Very high85.9Confident42 Ų4293.5 Ų93.543%0.43351%0.513SS..THydrogen-bonded Turntrans82.2-13.5-178.900000116.2Q31 C45Q31-G33 PolarHBondContact O-N 3.18Å; G33-C45 PolarHBondContact N-O 2.89Å
34T97.1Very high87.7Confident51 Ų5192.9 Ų92.931%0.31350%0.497SS..  trans-62.1140.3175.555.80000111.7Q31 E32 R44 C45Q31-T34 HydrophobicContact CB-CG2 3.56Å; Q31-T34 WeakPolarHBondContact O-CB 3.32Å; Q31-T34 WeakPolarHBondContact O-CG2 3.37Å; Q31-T34 PolarHBondContact O-N 3.29Å; Q31-T34 PolarHBondContact O-OG1 3.39Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.86Å; T34-R44 WeakPolarHBondContact O-CA 3.33Å; T34-C45 PolarHBondContact O-N 3.49Å
35Q97.7Very high89.7Confident100 Ų10082 Ų8247%0.46746%0.456SS..EExtended strand (participates in β ladder)trans-106.8133.6176.5-64.6-176.921.100110.3V42 Y43 I53Q35-V42 HydrophobicContact CB-CG1 4.34Å; Q35-Y43 CarbonylContact C-O 3.57Å; Q35-Y43 WeakPolarHBondContact CA-O 3.46Å; Q35-I53 HydrophobicContact CG-CD1 4.39Å
36T96.9Very high91.4Very high51 Ų5180.2 Ų80.231%0.31344%0.435SS..EExtended strand (participates in β ladder)trans-128.2140.7175.653.20000109.2Y43T36-Y43 PolarHBondContact N-O 3.35Å; T36-Y43 PolarHBondContact O-N 3.44Å
37V96.9Very high93Very high80 Ų8076.7 Ų76.749%0.48543%0.433SS..EExtended strand (participates in β ladder)trans-103.3120.2174.8-177.60000107.7S39 I41 V42 V56V37-S39 WeakPolarHBondContact CG1-O 3.39Å; V37-I41 WeakPolarHBondContact CA-O 3.26Å; V37-V42 HydrophobicContact CG2-CG2 4.27Å; V37-V56 HydrophobicContact CG1-CG2 3.82Å
38I94.9Very high94.3Very high87 Ų8773.4 Ų73.445%0.44642%0.416SS..EExtended strand (participates in β ladder)trans-122.3112.1174.8-54.2174.3000106.5F40 I41 Y43I38-F40 PolarHBondContact O-N 3.18Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 PolarHBondContact O-N 3.15Å; I38-Y43 HydrophobicContact CB-CD2 4.22Å; I38-Y43 HydrophobicContact CB-CE2 3.86Å; I38-Y43 HydrophobicContact CD1-CD2 4.14Å; I38-Y43 HydrophobicContact CD1-CE2 4.2Å; I38-Y43 HydrophobicContact CG1-CD2 4.18Å; I38-Y43 HydrophobicContact CG1-CE2 4.26Å
39S94.8Very high95.4Very high100 Ų10073.8 Ų73.870%0.69941%0.409SS*.THydrogen-bonded Turntrans57.8-125.5-170.8-169.80000111.2V37V37-S39 WeakPolarHBondContact CG1-O 3.39Å
40F95.4Very high95.8Very high92 Ų9273.6 Ų73.640%0.40440%0.398SS..THydrogen-bonded Turntrans-94.615.7179.158.6-92.4000113.5I38 C55 V56I38-F40 PolarHBondContact O-N 3.18Å; F40-C55 CarbonylContact O-C 3.59Å; F40-C55 WeakPolarHBondContact O-CA 3.04Å; F40-V56 PolarHBondContact O-N 3.06Å
41I97.5Very high96Very high14 Ų1474.4 Ų74.47%0.07240%0.401CS..EExtended strand (participates in β ladder)trans-121.5133.2-175.5-55.2176.2000110.2V37 I38 Y43 P52 L86V37-I41 WeakPolarHBondContact CA-O 3.26Å; I38-I41 PolarHBondContact N-O 3.05Å; I38-I41 PolarHBondContact O-N 3.15Å; I41-Y43 HydrophobicContact CB-CD2 4.45Å; I41-Y43 HydrophobicContact CB-CE2 3.69Å; I41-Y43 HydrophobicContact CG2-CD2 4.06Å; I41-Y43 HydrophobicContact CG2-CE1 4.28Å; I41-Y43 HydrophobicContact CG2-CE2 3.51Å; I41-P52 HydrophobicContact CG2-CB 3.65Å; I41-L86 HydrophobicContact CD1-CB 4.35Å; I41-L86 WeakPolarHBondContact CD1-O 3.1Å; I41-L86 HydrophobicContact CG1-CB 4.43Å; I41-L86 HydrophobicContact CG2-CB 4.35Å; I41-L86 HydrophobicContact CG2-CD1 4.31Å
42V97.8Very high96.1Very high1 Ų167.3 Ų67.31%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-94.8125.2170.9-168.70000109Q35 V37 P52 I53 A54 V56 H62Q35-V42 HydrophobicContact CB-CG1 4.34Å; V37-V42 HydrophobicContact CG2-CG2 4.27Å; V42-P52 WeakPolarHBondContact O-CA 2.92Å; V42-I53 HydrophobicContact CB-CG1 4.24Å; V42-I53 HydrophobicContact CG1-CD1 4.12Å; V42-I53 HydrophobicContact CG1-CG1 4.12Å; V42-I53 WeakPolarHBondContact O-CG1 3.27Å; V42-I53 PolarHBondContact O-N 2.8Å; V42-A54 HydrophobicContact CB-CB 3.99Å; V42-A54 HydrophobicContact CG2-CB 3.97Å; V42-A54 PolarHBondContact N-O 3.44Å; V42-A54 PolarHBondContact O-N 3.21Å; V42-V56 HydrophobicContact CG2-CG2 3.51Å; V42-H62 HydrophobicContact CG2-CB 4.42Å
43Y97.4Very high96.2Very high43 Ų4363 Ų6317%0.16935%0.35CS..EExtended strand (participates in β ladder)trans-104.7148.8174.4-63.7-95.7000110.2Q35 T36 I38 I41 Q50 V51 P52Q35-Y43 CarbonylContact C-O 3.57Å; Q35-Y43 WeakPolarHBondContact CA-O 3.46Å; T36-Y43 PolarHBondContact N-O 3.35Å; T36-Y43 PolarHBondContact O-N 3.44Å; I38-Y43 HydrophobicContact CB-CD2 4.22Å; I38-Y43 HydrophobicContact CB-CE2 3.86Å; I38-Y43 HydrophobicContact CD1-CD2 4.14Å; I38-Y43 HydrophobicContact CD1-CE2 4.2Å; I38-Y43 HydrophobicContact CG1-CD2 4.18Å; I38-Y43 HydrophobicContact CG1-CE2 4.26Å; I41-Y43 HydrophobicContact CB-CD2 4.45Å; I41-Y43 HydrophobicContact CB-CE2 3.69Å; I41-Y43 HydrophobicContact CG2-CD2 4.06Å; I41-Y43 HydrophobicContact CG2-CE1 4.28Å; I41-Y43 HydrophobicContact CG2-CE2 3.51Å; Y43-Q50 HydrophobicContact CD1-CB 3.94Å; Y43-Q50 HydrophobicContact CG-CB 4.31Å; Y43-V51 CarbonylContact C-O 3.58Å; Y43-V51 WeakPolarHBondContact CA-O 3.35Å; Y43-P52 HydrophobicContact CD1-CB 3.9Å; Y43-P52 HydrophobicContact CD1-CG 4.47Å; Y43-P52 HydrophobicContact CE1-CB 3.75Å; Y43-P52 HydrophobicContact CE1-CG 4.18Å
44R97.6Very high96.3Very high90 Ų9061.4 Ų61.434%0.3433%0.332SS..EExtended strand (participates in β ladder)trans-121.6132.9168.3-179.3178.7-67.3159.91108.9T34 Q46 V51 I53T34-R44 WeakPolarHBondContact O-CA 3.33Å; R44-Q46 HydrophobicContact CG-CG 4.21Å; R44-Q46 PolarHBondContact O-N 3.35Å; R44-V51 PolarHBondContact N-O 2.81Å; R44-V51 PolarHBondContact O-N 3.02Å; R44-I53 HydrophobicContact CB-CD1 3.85Å; R44-I53 HydrophobicContact CB-CG1 4.14Å; R44-I53 HydrophobicContact CB-CG2 3.8Å
45C97Very high96.3Very high2 Ų259 Ų591%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-69.9122.2172.5-167.70000110.9C30 Q31 G33 T34 R49C30-C45 VanDerWaalsContact CA-SG 3.56Å; C30-C45 HydrophobicContact CB-CB 3.55Å; C30-C45 WeakPolarHBondContact CB-SG 3.32Å; C30-C45 PolarHBondContact O-SG 3.44Å; C30-C45 WeakPolarHBondContact SG-CB 3.44Å; C30-C45 CovalentContact SG-SG 2.02Å; C30-C45 PolarHBondContact SG-SG 3.15Å; Q31-C45 WeakPolarHBondContact O-CB 3.48Å; G33-C45 PolarHBondContact N-O 2.89Å; T34-C45 PolarHBondContact O-N 3.49Å; C45-R49 WeakPolarHBondContact CA-O 3.33Å
46Q96.6Very high96.3Very high86 Ų8655.4 Ų55.440%0.40230%0.302SS..EExtended strand (participates in β ladder)trans-137.3117.3175.2-64.9-174.3-28.500110.5E32 R44 G48 R49 V51E32-Q46 WeakPolarHBondContact OE1-CA 3.33Å; E32-Q46 WeakPolarHBondContact OE2-CA 3.37Å; R44-Q46 HydrophobicContact CG-CG 4.21Å; R44-Q46 PolarHBondContact O-N 3.35Å; Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 2.52Å; Q46-R49 PolarHBondContact N-O 2.89Å; Q46-R49 PolarHBondContact O-N 3.26Å; Q46-R49 VanDerWaalsContact O-N 3.1Å; Q46-V51 HydrophobicContact CB-CG2 4.03Å
47G94.5Very high96.4Very high69 Ų6953.2 Ų53.271%0.71129%0.289SS*.THydrogen-bonded Turntrans60.137.2-178.200000112.6E32 R49E32-G47 PolarHBondContact OE2-N 3.13Å; G47-R49 PolarHBondContact O-N 3.08Å
48G93Very high96.3Very high39 Ų3955.8 Ų55.840%0.40230%0.3SS..THydrogen-bonded Turntrans71.96-176.800000115.2Q46Q46-G48 VanDerWaalsContact C-N 3.26Å; Q46-G48 PolarHBondContact O-N 2.52Å
49R93.3Very high96.3Very high198 Ų19858.5 Ų58.575%0.74732%0.315SS*.EExtended strand (participates in β ladder)trans-113.2141.5176.5-64.7-177.5177.5179.2-0.4110.8C45 Q46 G47 V51C45-R49 WeakPolarHBondContact CA-O 3.33Å; Q46-R49 PolarHBondContact N-O 2.89Å; Q46-R49 PolarHBondContact O-N 3.26Å; Q46-R49 VanDerWaalsContact O-N 3.1Å; G47-R49 PolarHBondContact O-N 3.08Å; R49-V51 PolarHBondContact O-N 2.87Å
50Q94.4Very high96.4Very high95 Ų9555.9 Ų55.944%0.44430%0.304SS..EExtended strand (participates in β ladder)trans-78.1113.5173.2-72-175.5-900110.1Y43Y43-Q50 HydrophobicContact CD1-CB 3.94Å; Y43-Q50 HydrophobicContact CG-CB 4.31Å
51V95.4Very high96.5Very high42 Ų4256.6 Ų56.626%0.25531%0.309SS..EExtended strand (participates in β ladder)trans-104.7125.8177.5-178.40000109Y43 R44 Q46 R49 I53Y43-V51 CarbonylContact C-O 3.58Å; Y43-V51 WeakPolarHBondContact CA-O 3.35Å; R44-V51 PolarHBondContact N-O 2.81Å; R44-V51 PolarHBondContact O-N 3.02Å; Q46-V51 HydrophobicContact CB-CG2 4.03Å; R49-V51 PolarHBondContact O-N 2.87Å; V51-I53 PolarHBondContact O-N 3.24Å
52P97.5Very high96.5Very high6 Ų660.3 Ų60.34%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-75129.1178.728.2-29.4000110.6I41 V42 Y43 S84 L86I41-P52 HydrophobicContact CG2-CB 3.65Å; V42-P52 WeakPolarHBondContact O-CA 2.92Å; Y43-P52 HydrophobicContact CD1-CB 3.9Å; Y43-P52 HydrophobicContact CD1-CG 4.47Å; Y43-P52 HydrophobicContact CE1-CB 3.75Å; Y43-P52 HydrophobicContact CE1-CG 4.18Å; P52-S84 WeakPolarHBondContact CG-O 3.45Å; P52-L86 HydrophobicContact CB-CD1 3.75Å; P52-L86 HydrophobicContact CB-CG 3.86Å; P52-L86 HydrophobicContact CG-CG 4.3Å
53I97.9Very high96.5Very high36 Ų3660.5 Ų60.519%0.18533%0.326CS..EExtended strand (participates in β ladder)trans-122-19.9-170.255.9155.8000114.4Q35 V42 R44 V51 V65Q35-I53 HydrophobicContact CG-CD1 4.39Å; V42-I53 HydrophobicContact CB-CG1 4.24Å; V42-I53 HydrophobicContact CG1-CD1 4.12Å; V42-I53 HydrophobicContact CG1-CG1 4.12Å; V42-I53 WeakPolarHBondContact O-CG1 3.27Å; V42-I53 PolarHBondContact O-N 2.8Å; R44-I53 HydrophobicContact CB-CD1 3.85Å; R44-I53 HydrophobicContact CB-CG1 4.14Å; R44-I53 HydrophobicContact CB-CG2 3.8Å; V51-I53 PolarHBondContact O-N 3.24Å; I53-V65 WeakPolarHBondContact O-CG2 3.21Å; I53-V65 PolarHBondContact O-N 2.84Å
54A98.4Very high96.6Very high7 Ų762.2 Ų62.26%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-157.2160.3-178.900000111.3V42 H62 L63V42-A54 HydrophobicContact CB-CB 3.99Å; V42-A54 HydrophobicContact CG2-CB 3.97Å; V42-A54 PolarHBondContact N-O 3.44Å; V42-A54 PolarHBondContact O-N 3.21Å; A54-H62 HydrophobicContact CB-CB 4.36Å; A54-L63 CarbonylContact C-O 3.6Å; A54-L63 WeakPolarHBondContact CA-O 3.38Å; A54-L63 WeakPolarHBondContact CB-O 3.45Å
55C98.3Very high96.6Very high0 Ų059.8 Ų59.80%034%0.338CS..EExtended strand (participates in β ladder)trans-97.6152.7166-59.50000109.3F40 H62 L63 C78 L88F40-C55 CarbonylContact O-C 3.59Å; F40-C55 WeakPolarHBondContact O-CA 3.04Å; C55-H62 CarbonylContact O-C 3.53Å; C55-L63 PolarHBondContact N-O 2.88Å; C55-L63 PolarHBondContact O-N 2.89Å; C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 2.95Å; C55-C78 PolarHBondContact N-SG 2.84Å; C55-C78 VanDerWaalsContact SG-CA 3.54Å; C55-C78 WeakPolarHBondContact SG-CB 3.33Å; C55-C78 CovalentContact SG-SG 2.05Å; C55-C78 PolarHBondContact SG-SG 2.82Å; C55-L88 HydrophobicContact CB-CB 4.18Å; C55-L88 HydrophobicContact CB-CD1 4.18Å
56V97.9Very high96.6Very high25 Ų2564.4 Ų64.415%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-102.1125.8172.7-174.20000108.4V37 F40 V42 Q61V37-V56 HydrophobicContact CG1-CG2 3.82Å; F40-V56 PolarHBondContact O-N 3.06Å; V42-V56 HydrophobicContact CG2-CG2 3.51Å; V56-Q61 WeakPolarHBondContact CA-O 3.13Å
57T97.4Very high96.7Very high6 Ų661 Ų614%0.03735%0.35CS..PPolyproline II helixtrans-80.6167176.270.90000110.9N59 G60 Q61 L63 T69T57-N59 PolarHBondContact O-N 3.4Å; T57-N59 PolarHBondContact OG1-N 3.35Å; T57-G60 WeakPolarHBondContact O-CA 3.47Å; T57-G60 PolarHBondContact O-N 3.34Å; T57-Q61 HydrophobicContact CG2-CB 4.3Å; T57-Q61 PolarHBondContact N-O 2.73Å; T57-Q61 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q61 PolarHBondContact OG1-N 3.15Å; T57-L63 HydrophobicContact CG2-CB 4.23Å; T57-T69 HydrophobicContact CG2-CG2 3.76Å
58D95.2Very high96.9Very high134 Ų13461.7 Ų61.772%0.71734%0.34SS*.THydrogen-bonded Turntrans-64.5-16.3178.5-43.5-20.1000113.1G60 Q71D58-G60 VanDerWaalsContact C-N 3.28Å; D58-Q71 VanDerWaalsContact OD2-CD 3.31Å; D58-Q71 PolarHBondContact OD2-NE2 2.78Å
59N95.8Very high97.1Very high143 Ų14361.1 Ų61.177%0.76533%0.329SS*.THydrogen-bonded Turntrans-85.94.6172.6-64.7-18.9000112.9T57 Q61T57-N59 PolarHBondContact O-N 3.4Å; T57-N59 PolarHBondContact OG1-N 3.35Å; N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.96Å
60G96.4Very high97.3Very high45 Ų4556.3 Ų56.346%0.46432%0.322SS..  trans785.4-177.500000114.9T57 D58T57-G60 WeakPolarHBondContact O-CA 3.47Å; T57-G60 PolarHBondContact O-N 3.34Å; D58-G60 VanDerWaalsContact C-N 3.28Å
61Q97.2Very high97.4Very high108 Ų10853.6 Ų53.651%0.50531%0.309SS..  trans-74135.4-179.6-173.5-176.8-2.300110.6V56 T57 N59 L63V56-Q61 WeakPolarHBondContact CA-O 3.13Å; T57-Q61 HydrophobicContact CG2-CB 4.3Å; T57-Q61 PolarHBondContact N-O 2.73Å; T57-Q61 WeakPolarHBondContact OG1-CB 3.3Å; T57-Q61 PolarHBondContact OG1-N 3.15Å; N59-Q61 VanDerWaalsContact C-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.96Å; Q61-L63 PolarHBondContact O-N 2.92Å
62H97.9Very high97.4Very high91 Ų9155.1 Ų55.142%0.42133%0.333SS..EExtended strand (participates in β ladder)trans-81.3108.6173.4-61.4-177.6000109.6V42 A54 C55V42-H62 HydrophobicContact CG2-CB 4.42Å; A54-H62 HydrophobicContact CB-CB 4.36Å; C55-H62 CarbonylContact O-C 3.53Å
63L98.1Very high97.3Very high5 Ų556.5 Ų56.53%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-92.8109.8176.9-167.664.9000109A54 C55 T57 Q61 G67 T69 C78 L88A54-L63 CarbonylContact C-O 3.6Å; A54-L63 WeakPolarHBondContact CA-O 3.38Å; A54-L63 WeakPolarHBondContact CB-O 3.45Å; C55-L63 PolarHBondContact N-O 2.88Å; C55-L63 PolarHBondContact O-N 2.89Å; T57-L63 HydrophobicContact CG2-CB 4.23Å; Q61-L63 PolarHBondContact O-N 2.92Å; L63-G67 VanDerWaalsContact CD2-O 3.29Å; L63-G67 WeakPolarHBondContact CD2-O 3.14Å; L63-G67 WeakPolarHBondContact CG-O 3.34Å; L63-T69 HydrophobicContact CD1-CG2 4.45Å; L63-T69 HydrophobicContact CD2-CG2 3.83Å; L63-C78 HydrophobicContact CB-CB 4.5Å; L63-C78 HydrophobicContact CD2-CB 4.09Å; L63-C78 HydrophobicContact CG-CB 4.21Å; L63-L88 HydrophobicContact CD2-CD1 3.65Å
64P98.2Very high97.3Very high79 Ų7958 Ų5851%0.51335%0.353SS..EExtended strand (participates in β ladder)trans-58.2160.6-179.926.2-34.8000111D66 G67 C78P64-D66 PolarHBondContact O-N 3.24Å; P64-G67 WeakPolarHBondContact O-CA 3.04Å; P64-G67 PolarHBondContact O-N 2.91Å; P64-C78 WeakPolarHBondContact O-CB 3.28Å
65V97.7Very high97.3Very high40 Ų4059.1 Ų59.124%0.24236%0.357CS..THydrogen-bonded Turntrans-51.1133.2170.7-1750000109.3I53 G67 L86I53-V65 WeakPolarHBondContact O-CG2 3.21Å; I53-V65 PolarHBondContact O-N 2.84Å; V65-G67 PolarHBondContact O-N 2.98Å; V65-L86 HydrophobicContact CG1-CD2 4.39Å; V65-L86 HydrophobicContact CG2-CD1 3.79Å; V65-L86 HydrophobicContact CG2-CD2 3.78Å; V65-L86 HydrophobicContact CG2-CG 4.47Å
66D97.8Very high97.3Very high99 Ų9960.4 Ų60.453%0.52936%0.363SS..THydrogen-bonded Turntrans67.5-2.5-171.7-67.8-64.2000117.1P64 K77 C78P64-D66 PolarHBondContact O-N 3.24Å; D66-K77 WeakPolarHBondContact O-CE 3.46Å; D66-K77 WeakPolarHBondContact OD1-CE 3.5Å; D66-K77 IonicContact OD1-NZ 2.85Å; D66-K77 PolarHBondContact OD1-NZ 3.24Å; D66-C78 PolarHBondContact N-O 2.88Å
67G98.3Very high97.3Very high14 Ų1461.9 Ų61.914%0.14437%0.368CS..  trans-61.9146.1169.900000111.9L63 P64 V65 K77 C78L63-G67 VanDerWaalsContact CD2-O 3.29Å; L63-G67 WeakPolarHBondContact CD2-O 3.14Å; L63-G67 WeakPolarHBondContact CG-O 3.34Å; P64-G67 WeakPolarHBondContact O-CA 3.04Å; P64-G67 PolarHBondContact O-N 2.91Å; V65-G67 PolarHBondContact O-N 2.98Å; G67-K77 WeakPolarHBondContact O-CA 3.34Å; G67-C78 PolarHBondContact O-N 3.4Å; G67-C78 VanDerWaalsContact O-N 3.12Å
68V98.1Very high97.3Very high83 Ų8361.6 Ų61.650%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-117.7146.6176-65.20000111.4E75 M76 K77V68-E75 HydrophobicContact CB-CG 4.27Å; V68-M76 CarbonylContact C-O 3.59Å; V68-M76 VanDerWaalsContact CA-O 3.28Å; V68-M76 WeakPolarHBondContact CA-O 2.96Å; V68-K77 HydrophobicContact CG1-CB 4.13Å; V68-K77 HydrophobicContact CG1-CD 4.11Å; V68-K77 HydrophobicContact CG1-CG 3.93Å
69T97.9Very high97.4Very high28 Ų2857.5 Ų57.517%0.17234%0.344CS..EExtended strand (participates in β ladder)trans-146.8168.8174.4-170.10000109.6T57 L63 E75 M76T57-T69 HydrophobicContact CG2-CG2 3.76Å; L63-T69 HydrophobicContact CD1-CG2 4.45Å; L63-T69 HydrophobicContact CD2-CG2 3.83Å; T69-E75 CarbonylContact O-C 3.51Å; T69-E75 WeakPolarHBondContact O-CA 3.05Å; T69-M76 HydrophobicContact CG2-CB 3.88Å; T69-M76 PolarHBondContact N-O 3.24Å; T69-M76 PolarHBondContact O-N 2.91Å
70T97.5Very high97.5Very high97 Ų9757 Ų5760%0.59533%0.331SS*.EExtended strand (participates in β ladder)trans-115.5129.5-179.5620000111.2Y74 L94T70-Y74 CarbonylContact C-O 3.49Å; T70-Y74 WeakPolarHBondContact CA-O 3.05Å; T70-L94 HydrophobicContact CG2-CD1 3.52Å
71Q96.2Very high97.3Very high37 Ų3756.4 Ų56.417%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-150.4131.1-176.8-178.3156.537.200111.7D58 G73 Y74 M76D58-Q71 VanDerWaalsContact OD2-CD 3.31Å; D58-Q71 PolarHBondContact OD2-NE2 2.78Å; Q71-G73 PolarHBondContact O-N 3.01Å; Q71-Y74 PolarHBondContact N-O 2.95Å; Q71-Y74 PolarHBondContact O-N 2.93Å; Q71-M76 HydrophobicContact CB-CG 3.86Å
72G95.3Very high97.1Very high74 Ų7456 Ų5676%0.76334%0.341SS*.THydrogen-bonded Turntrans59.322.7173.100000115.7Y74G72-Y74 WeakPolarHBondContact O-CD2 3.23Å; G72-Y74 WeakPolarHBondContact O-CE2 3.38Å
73G96.4Very high96.7Very high36 Ų3654.8 Ų54.837%0.37135%0.353SS..THydrogen-bonded Turntrans84.219.2-173.200000114.5Q71 L94Q71-G73 PolarHBondContact O-N 3.01Å; G73-L94 WeakPolarHBondContact O-CA 3.35Å; G73-L94 WeakPolarHBondContact O-CB 3.33Å; G73-L94 PolarHBondContact O-N 3.41Å
74Y97.9Very high96.2Very high67 Ų6757.9 Ų57.926%0.26338%0.375SS..EExtended strand (participates in β ladder)trans-128.4151.3175.2-56.3-81.1000111.1T70 Q71 G72 P90 A92 L94 L122T70-Y74 CarbonylContact C-O 3.49Å; T70-Y74 WeakPolarHBondContact CA-O 3.05Å; Q71-Y74 PolarHBondContact N-O 2.95Å; Q71-Y74 PolarHBondContact O-N 2.93Å; G72-Y74 WeakPolarHBondContact O-CD2 3.23Å; G72-Y74 WeakPolarHBondContact O-CE2 3.38Å; Y74-P90 HydrophobicContact CD1-CB 4.37Å; Y74-P90 HydrophobicContact CG-CB 4.36Å; Y74-A92 CarbonylContact C-O 3.56Å; Y74-A92 WeakPolarHBondContact CA-O 3.49Å; Y74-L94 VanDerWaalsContact C-CD1 3.47Å; Y74-L94 WeakPolarHBondContact O-CD1 3.43Å; Y74-L122 HydrophobicContact CD1-CB 4.35Å; Y74-L122 HydrophobicContact CD1-CD2 4.21Å; Y74-L122 HydrophobicContact CD1-CG 4.43Å; Y74-L122 HydrophobicContact CE1-CB 4.39Å; Y74-L122 VanDerWaalsContact CE1-O 3.24Å; Y74-L122 WeakPolarHBondContact CE1-O 3.2Å
75E98.1Very high96Very high30 Ų3059.1 Ų59.114%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-87.4118162.9-174-179.588.100108.1V68 T69 P90 V91 A92 L94 R99V68-E75 HydrophobicContact CB-CG 4.27Å; T69-E75 CarbonylContact O-C 3.51Å; T69-E75 WeakPolarHBondContact O-CA 3.05Å; E75-P90 CarbonylContact O-C 3.54Å; E75-P90 WeakPolarHBondContact O-CA 3.37Å; E75-V91 HydrophobicContact CB-CG2 4.26Å; E75-V91 HydrophobicContact CG-CG2 4.05Å; E75-V91 WeakPolarHBondContact O-CG2 3.35Å; E75-V91 PolarHBondContact O-N 2.87Å; E75-V91 WeakPolarHBondContact OE1-CG2 3.31Å; E75-A92 HydrophobicContact CB-CB 4.01Å; E75-A92 PolarHBondContact N-O 3.12Å; E75-L94 HydrophobicContact CB-CD1 4.46Å; E75-R99 IonicContact OE1-CZ 2.83Å; E75-R99 IonicContact OE1-NE 3.4Å; E75-R99 PolarHBondContact OE1-NE 2.02Å; E75-R99 IonicContact OE1-NH2 2.91Å; E75-R99 PolarHBondContact OE1-NH2 3.01Å; E75-R99 VanDerWaalsContact OE2-CD 3.28Å; E75-R99 WeakPolarHBondContact OE2-CD 2.99Å; E75-R99 IonicContact OE2-CZ 3.98Å; E75-R99 IonicContact OE2-NE 2.89Å; E75-R99 PolarHBondContact OE2-NE 3.03Å
76M97.6Very high96Very high27 Ų2757.4 Ų57.413%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-98.5135179.4-53.6-59.7-72.800109.1V68 T69 Q71 L88 R89 P90V68-M76 CarbonylContact C-O 3.59Å; V68-M76 VanDerWaalsContact CA-O 3.28Å; V68-M76 WeakPolarHBondContact CA-O 2.96Å; T69-M76 HydrophobicContact CG2-CB 3.88Å; T69-M76 PolarHBondContact N-O 3.24Å; T69-M76 PolarHBondContact O-N 2.91Å; Q71-M76 HydrophobicContact CB-CG 3.86Å; M76-L88 HydrophobicContact CB-CD1 3.95Å; M76-L88 HydrophobicContact CB-CG 4.26Å; M76-L88 HydrophobicContact CE-CD2 4.48Å; M76-L88 HydrophobicContact CE-CG 4.1Å; M76-R89 WeakPolarHBondContact CA-O 3.24Å; M76-P90 HydrophobicContact CE-CB 4.46Å; M76-P90 HydrophobicContact SD-CB 3.78Å
77K98Very high95.9Very high56 Ų5653.8 Ų53.824%0.24335%0.349CS..EExtended strand (participates in β ladder)trans-124.2136.5176.7-169.8172175.4-166.30110.8D66 G67 V68 L79 R89 V91D66-K77 WeakPolarHBondContact O-CE 3.46Å; D66-K77 WeakPolarHBondContact OD1-CE 3.5Å; D66-K77 IonicContact OD1-NZ 2.85Å; D66-K77 PolarHBondContact OD1-NZ 3.24Å; G67-K77 WeakPolarHBondContact O-CA 3.34Å; V68-K77 HydrophobicContact CG1-CB 4.13Å; V68-K77 HydrophobicContact CG1-CD 4.11Å; V68-K77 HydrophobicContact CG1-CG 3.93Å; K77-L79 HydrophobicContact CB-CD2 4.49Å; K77-L79 HydrophobicContact CB-CG 4.33Å; K77-L79 HydrophobicContact CD-CD2 3.7Å; K77-L79 HydrophobicContact CD-CG 4.44Å; K77-L79 HydrophobicContact CG-CD2 3.9Å; K77-L79 HydrophobicContact CG-CG 4.18Å; K77-L79 PolarHBondContact O-N 2.77Å; K77-R89 PolarHBondContact N-O 2.89Å; K77-R89 PolarHBondContact O-N 3.49Å; K77-V91 HydrophobicContact CB-CB 4.39Å; K77-V91 HydrophobicContact CB-CG1 3.63Å; K77-V91 HydrophobicContact CB-CG2 3.82Å; K77-V91 HydrophobicContact CD-CG1 4.48Å
78C98.3Very high95.8Very high0 Ų054.8 Ų54.80%035%0.351CS..EExtended strand (participates in β ladder)trans-81.5105.3172.2-1720000109.6C55 L63 P64 D66 G67C55-C78 HydrophobicContact CB-CB 3.7Å; C55-C78 WeakPolarHBondContact CB-SG 2.95Å; C55-C78 PolarHBondContact N-SG 2.84Å; C55-C78 VanDerWaalsContact SG-CA 3.54Å; C55-C78 WeakPolarHBondContact SG-CB 3.33Å; C55-C78 CovalentContact SG-SG 2.05Å; C55-C78 PolarHBondContact SG-SG 2.82Å; L63-C78 HydrophobicContact CB-CB 4.5Å; L63-C78 HydrophobicContact CD2-CB 4.09Å; L63-C78 HydrophobicContact CG-CB 4.21Å; P64-C78 WeakPolarHBondContact O-CB 3.28Å; D66-C78 PolarHBondContact N-O 2.88Å; G67-C78 PolarHBondContact O-N 3.4Å; G67-C78 VanDerWaalsContact O-N 3.12Å
79L97.2Very high95.7Very high49 Ų4955.2 Ų55.226%0.25734%0.343SS..EExtended strand (participates in β ladder)trans-108.2139.5-174.4-67.3174.4000111.3K77 L86 S87 R89 V91K77-L79 HydrophobicContact CB-CD2 4.49Å; K77-L79 HydrophobicContact CB-CG 4.33Å; K77-L79 HydrophobicContact CD-CD2 3.7Å; K77-L79 HydrophobicContact CD-CG 4.44Å; K77-L79 HydrophobicContact CG-CD2 3.9Å; K77-L79 HydrophobicContact CG-CG 4.18Å; K77-L79 PolarHBondContact O-N 2.77Å; L79-L86 CarbonylContact O-C 3.51Å; L79-L86 WeakPolarHBondContact O-CA 2.99Å; L79-S87 PolarHBondContact N-O 3.49Å; L79-S87 PolarHBondContact O-N 2.91Å; L79-R89 HydrophobicContact CD1-CB 4.26Å; L79-V91 HydrophobicContact CD1-CG1 4.15Å
80R96.7Very high95.7Very high131 Ų13155.5 Ų55.549%0.49435%0.346SS..EExtended strand (participates in β ladder)trans-83.1117169.5-171178.3-65.7-104.1-4.5109.4L86R80-L86 HydrophobicContact CB-CD2 3.93Å; R80-L86 HydrophobicContact CG-CD2 4.22Å
81G93.6Very high95.7Very high34 Ų3452.5 Ų52.535%0.35133%0.327SS..  trans-80.6-168.7175.800000112.7G83 N85G81-G83 PolarHBondContact O-N 2.94Å; G81-N85 PolarHBondContact N-O 3.19Å
82A91.4Very high95.8Very high99 Ų9950.7 Ų50.782%0.81832%0.319SS*.SBendtrans-60.5126.8171.600000110.2
83G89.7Confident96Very high66 Ų6647.2 Ų47.268%0.6828%0.283SS*.THydrogen-bonded Turntrans83.6-142.3-172.800000113.1G81G81-G83 PolarHBondContact O-N 2.94Å
84S88.7Confident96.1Very high70 Ų7047.2 Ų47.249%0.4927%0.274SS..THydrogen-bonded Turntrans-96.83.7178.952.50000113.6P52 L86P52-S84 WeakPolarHBondContact CG-O 3.45Å; S84-L86 PolarHBondContact O-N 3.17Å
85N93.2Very high96Very high104 Ų10447.2 Ų47.256%0.55628%0.275SS*.  trans-74.8127.9-173.8-66.1-20.4000111.2G81G81-N85 PolarHBondContact N-O 3.19Å
86L97.3Very high95.9Very high5 Ų552.3 Ų52.33%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-91.9146.1169.1-63.7-175.8000110I41 P52 V65 L79 R80 S84I41-L86 HydrophobicContact CD1-CB 4.35Å; I41-L86 WeakPolarHBondContact CD1-O 3.1Å; I41-L86 HydrophobicContact CG1-CB 4.43Å; I41-L86 HydrophobicContact CG2-CB 4.35Å; I41-L86 HydrophobicContact CG2-CD1 4.31Å; P52-L86 HydrophobicContact CB-CD1 3.75Å; P52-L86 HydrophobicContact CB-CG 3.86Å; P52-L86 HydrophobicContact CG-CG 4.3Å; V65-L86 HydrophobicContact CG1-CD2 4.39Å; V65-L86 HydrophobicContact CG2-CD1 3.79Å; V65-L86 HydrophobicContact CG2-CD2 3.78Å; V65-L86 HydrophobicContact CG2-CG 4.47Å; L79-L86 CarbonylContact O-C 3.51Å; L79-L86 WeakPolarHBondContact O-CA 2.99Å; R80-L86 HydrophobicContact CB-CD2 3.93Å; R80-L86 HydrophobicContact CG-CD2 4.22Å; S84-L86 PolarHBondContact O-N 3.17Å
87S96Very high95.8Very high22 Ų2254.9 Ų54.915%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-139.8136.8173.361.80000110.5L79 R89L79-S87 PolarHBondContact N-O 3.49Å; L79-S87 PolarHBondContact O-N 2.91Å; S87-R89 PolarHBondContact OG-NE 3.09Å
88L96.6Very high95.8Very high35 Ų3558.3 Ų58.318%0.18335%0.349CS..EExtended strand (participates in β ladder)trans-87.9115.8170.8-171.964.9000108.1C55 L63 M76C55-L88 HydrophobicContact CB-CB 4.18Å; C55-L88 HydrophobicContact CB-CD1 4.18Å; L63-L88 HydrophobicContact CD2-CD1 3.65Å; M76-L88 HydrophobicContact CB-CD1 3.95Å; M76-L88 HydrophobicContact CB-CG 4.26Å; M76-L88 HydrophobicContact CE-CD2 4.48Å; M76-L88 HydrophobicContact CE-CG 4.1Å
89R96.6Very high95.8Very high92 Ų9263.1 Ų63.135%0.34737%0.367SS..EExtended strand (participates in β ladder)trans-128.5144-175.4-62.4-174.7-179.7-145.6-11.4111.7M76 K77 L79 S87 V91 N120M76-R89 WeakPolarHBondContact CA-O 3.24Å; K77-R89 PolarHBondContact N-O 2.89Å; K77-R89 PolarHBondContact O-N 3.49Å; L79-R89 HydrophobicContact CD1-CB 4.26Å; S87-R89 PolarHBondContact OG-NE 3.09Å; R89-V91 PolarHBondContact O-N 3.46Å; R89-N120 PolarHBondContact NH1-OD1 3.11Å; R89-N120 PolarHBondContact NH2-OD1 2.99Å; R89-N120 VanDerWaalsContact NH2-OD1 3.11Å
90P97.7Very high95.8Very high35 Ų3560.8 Ų60.823%0.22735%0.354CS..EExtended strand (participates in β ladder)trans-69128.9168.530-33.1000109.5Y74 E75 M76 L122Y74-P90 HydrophobicContact CD1-CB 4.37Å; Y74-P90 HydrophobicContact CG-CB 4.36Å; E75-P90 CarbonylContact O-C 3.54Å; E75-P90 WeakPolarHBondContact O-CA 3.37Å; M76-P90 HydrophobicContact CE-CB 4.46Å; M76-P90 HydrophobicContact SD-CB 3.78Å; P90-L122 HydrophobicContact CB-CB 3.78Å; P90-L122 HydrophobicContact CB-CD2 4.16Å; P90-L122 HydrophobicContact CG-CB 3.74Å
91V97.9Very high95.9Very high33 Ų3357.4 Ų57.420%0.235%0.346CS..EExtended strand (participates in β ladder)trans-114.5-17.9-179.8-660000113.3E75 K77 L79 R89E75-V91 HydrophobicContact CB-CG2 4.26Å; E75-V91 HydrophobicContact CG-CG2 4.05Å; E75-V91 WeakPolarHBondContact O-CG2 3.35Å; E75-V91 PolarHBondContact O-N 2.87Å; E75-V91 WeakPolarHBondContact OE1-CG2 3.31Å; K77-V91 HydrophobicContact CB-CB 4.39Å; K77-V91 HydrophobicContact CB-CG1 3.63Å; K77-V91 HydrophobicContact CB-CG2 3.82Å; K77-V91 HydrophobicContact CD-CG1 4.48Å; L79-V91 HydrophobicContact CD1-CG1 4.15Å; R89-V91 PolarHBondContact O-N 3.46Å
92A98.4Very high96.1Very high0 Ų059.2 Ų59.20%035%0.352CS..EExtended strand (participates in β ladder)trans-150.8151.6174.200000111.5Y74 E75 R99 M100 L122Y74-A92 CarbonylContact C-O 3.56Å; Y74-A92 WeakPolarHBondContact CA-O 3.49Å; E75-A92 HydrophobicContact CB-CB 4.01Å; E75-A92 PolarHBondContact N-O 3.12Å; A92-R99 HydrophobicContact CB-CG 3.65Å; A92-M100 CarbonylContact C-O 3.52Å; A92-M100 VanDerWaalsContact CA-O 3.25Å; A92-M100 WeakPolarHBondContact CA-O 3.09Å; A92-M100 VanDerWaalsContact CB-O 3.27Å; A92-M100 WeakPolarHBondContact CB-O 3.44Å; A92-L122 VanDerWaalsContact CA-CD2 3.45Å
93C98.5Very high96.4Very high0 Ų057.2 Ų57.20%034%0.341CS..EExtended strand (participates in β ladder)trans-84.4148.7168.9-540000109.8R99 M100 C115 L124C93-R99 CarbonylContact O-C 3.49Å; C93-M100 HydrophobicContact CB-CB 4.22Å; C93-M100 PolarHBondContact N-O 2.76Å; C93-M100 PolarHBondContact O-N 2.03Å; C93-C115 HydrophobicContact CB-CB 3.79Å; C93-C115 WeakPolarHBondContact CB-SG 3.32Å; C93-C115 PolarHBondContact N-SG 2.84Å; C93-C115 VanDerWaalsContact N-SG 3.37Å; C93-C115 VanDerWaalsContact SG-CA 3.52Å; C93-C115 WeakPolarHBondContact SG-CB 3.36Å; C93-C115 CovalentContact SG-SG 2.05Å; C93-C115 PolarHBondContact SG-SG 2.95Å; C93-L124 HydrophobicContact CB-CB 4.31Å; C93-L124 HydrophobicContact CB-CD1 3.95Å
94L98.1Very high96.8Very high37 Ų3757.5 Ų57.519%0.19433%0.325CS..EExtended strand (participates in β ladder)trans-122.3122.5176.3-60.6170.9000109.7T70 G73 Y74 E75 R98 R99T70-L94 HydrophobicContact CG2-CD1 3.52Å; G73-L94 WeakPolarHBondContact O-CA 3.35Å; G73-L94 WeakPolarHBondContact O-CB 3.33Å; G73-L94 PolarHBondContact O-N 3.41Å; Y74-L94 VanDerWaalsContact C-CD1 3.47Å; Y74-L94 WeakPolarHBondContact O-CD1 3.43Å; E75-L94 HydrophobicContact CB-CD1 4.46Å; L94-R98 WeakPolarHBondContact CA-O 3.19Å; L94-R99 HydrophobicContact CD2-CB 4.06Å; L94-R99 HydrophobicContact CD2-CG 4.33Å
95K97.3Very high97.3Very high66 Ų6655.9 Ų55.929%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-138.4122.1174.6-174.266.7171.7-175.10110.1G97 R98 L106 L124K95-G97 PolarHBondContact O-N 2.92Å; K95-R98 PolarHBondContact N-O 3.47Å; K95-R98 WeakPolarHBondContact O-CB 3.44Å; K95-R98 PolarHBondContact O-N 3.29Å; K95-L106 HydrophobicContact CB-CD2 3.57Å; K95-L106 HydrophobicContact CG-CD2 3.61Å; K95-L124 HydrophobicContact CB-CD2 3.89Å; K95-L124 HydrophobicContact CD-CD2 3.93Å; K95-L124 HydrophobicContact CG-CD2 4.14Å
96N95.4Very high97.5Very high138 Ų13851.6 Ų51.674%0.73829%0.289SS*.THydrogen-bonded Turntrans51.842.4-177-56.3-14.8000112.5R98N96-R98 PolarHBondContact O-N 3.26Å
97G95.4Very high97.5Very high81 Ų8154 Ų5484%0.83530%0.304SS*.THydrogen-bonded Turntrans76.2-6.1-178.300000115.4K95K95-G97 PolarHBondContact O-N 2.92Å
98R97.5Very high97.6Very high128 Ų12854.1 Ų54.148%0.48330%0.304SS..EExtended strand (participates in β ladder)trans-88.4125.8177.1-176.3174167-179.3-0.4111.2L94 K95 N96 L106L94-R98 WeakPolarHBondContact CA-O 3.19Å; K95-R98 PolarHBondContact N-O 3.47Å; K95-R98 WeakPolarHBondContact O-CB 3.44Å; K95-R98 PolarHBondContact O-N 3.29Å; N96-R98 PolarHBondContact O-N 3.26Å; R98-L106 VanDerWaalsContact NH1-CD1 3.3Å
99R98Very high97.6Very high100 Ų10057.8 Ų57.838%0.37733%0.33SS..EExtended strand (participates in β ladder)trans-76.3135.1170.6-171.6-178.9-177.9-75.9-7.6110.9E75 A92 C93 L94 N101E75-R99 IonicContact OE1-CZ 2.83Å; E75-R99 IonicContact OE1-NE 3.4Å; E75-R99 PolarHBondContact OE1-NE 2.02Å; E75-R99 IonicContact OE1-NH2 2.91Å; E75-R99 PolarHBondContact OE1-NH2 3.01Å; E75-R99 VanDerWaalsContact OE2-CD 3.28Å; E75-R99 WeakPolarHBondContact OE2-CD 2.99Å; E75-R99 IonicContact OE2-CZ 3.98Å; E75-R99 IonicContact OE2-NE 2.89Å; E75-R99 PolarHBondContact OE2-NE 3.03Å; A92-R99 HydrophobicContact CB-CG 3.65Å; C93-R99 CarbonylContact O-C 3.49Å; L94-R99 HydrophobicContact CD2-CB 4.06Å; L94-R99 HydrophobicContact CD2-CG 4.33Å; R99-N101 PolarHBondContact NH1-OD1 2.75Å
100M98.4Very high97.6Very high0 Ų057.1 Ų57.10%033%0.333CS..EExtended strand (participates in β ladder)trans-130.6118.6178.8-61.5173.161.400110A92 C93 E104 L106 C115 L124A92-M100 CarbonylContact C-O 3.52Å; A92-M100 VanDerWaalsContact CA-O 3.25Å; A92-M100 WeakPolarHBondContact CA-O 3.09Å; A92-M100 VanDerWaalsContact CB-O 3.27Å; A92-M100 WeakPolarHBondContact CB-O 3.44Å; C93-M100 HydrophobicContact CB-CB 4.22Å; C93-M100 PolarHBondContact N-O 2.76Å; C93-M100 PolarHBondContact O-N 2.03Å; M100-E104 VanDerWaalsContact CA-OE2 3.25Å; M100-E104 WeakPolarHBondContact CA-OE2 3.37Å; M100-E104 HydrophobicContact CB-CB 4.23Å; M100-E104 WeakPolarHBondContact CE-O 3.21Å; M100-L106 HydrophobicContact CE-CB 3.72Å; M100-L106 HydrophobicContact SD-CB 3.45Å; M100-L106 WeakPolarHBondContact SD-CB 3.38Å; M100-L106 HydrophobicContact SD-CD2 4.07Å; M100-L106 HydrophobicContact SD-CG 4.41Å; M100-C115 HydrophobicContact CB-CB 4.01Å; M100-C115 HydrophobicContact CE-CB 4.14Å; M100-C115 PolarHBondContact O-SG 2.82Å; M100-L124 HydrophobicContact CE-CD1 4.09Å; M100-L124 HydrophobicContact SD-CD1 3.92Å
101N98.4Very high97.6Very high60 Ų6057.7 Ų57.732%0.32133%0.332SS..  trans-69.4159.8171.1-64.1-60000111.2R99 G103 E104 C115R99-N101 PolarHBondContact NH1-OD1 2.75Å; N101-G103 PolarHBondContact O-N 2.82Å; N101-E104 HydrophobicContact CB-CG 3.99Å; N101-E104 VanDerWaalsContact N-CD 3.3Å; N101-E104 PolarHBondContact N-OE2 3.13Å; N101-E104 PolarHBondContact ND2-OE1 2.87Å; N101-E104 VanDerWaalsContact O-CB 3.26Å; N101-E104 WeakPolarHBondContact O-CB 3.39Å; N101-E104 PolarHBondContact O-N 2.81Å; N101-C115 WeakPolarHBondContact O-CB 3.32Å
102P98.1Very high97.6Very high72 Ų7257.9 Ų57.947%0.46833%0.329SS..THydrogen-bonded Turntrans-52129.2171-22.630.8000111.5E104 C115 L122P102-E104 VanDerWaalsContact C-N 3.34Å; P102-C115 CarbonylContact C-O 3.56Å; P102-C115 WeakPolarHBondContact CA-O 3.26Å; P102-L122 HydrophobicContact CB-CD1 4.13Å; P102-L122 HydrophobicContact CG-CD1 3.76Å
103G97.9Very high97.6Very high58 Ų5859.5 Ų59.560%0.59834%0.335SS*.THydrogen-bonded Turntrans89.2-16.3-174.100000114.8N101 C115N101-G103 PolarHBondContact O-N 2.82Å; G103-C115 PolarHBondContact N-O 3.09Å
104E98.4Very high97.5Very high71 Ų7160.6 Ų60.633%0.33234%0.342SS..  trans-73.8156.8176.9-68.5-178.1-178.400112.2M100 N101 P102 C115M100-E104 VanDerWaalsContact CA-OE2 3.25Å; M100-E104 WeakPolarHBondContact CA-OE2 3.37Å; M100-E104 HydrophobicContact CB-CB 4.23Å; M100-E104 WeakPolarHBondContact CE-O 3.21Å; N101-E104 HydrophobicContact CB-CG 3.99Å; N101-E104 VanDerWaalsContact N-CD 3.3Å; N101-E104 PolarHBondContact N-OE2 3.13Å; N101-E104 PolarHBondContact ND2-OE1 2.87Å; N101-E104 VanDerWaalsContact O-CB 3.26Å; N101-E104 WeakPolarHBondContact O-CB 3.39Å; N101-E104 PolarHBondContact O-N 2.81Å; P102-E104 VanDerWaalsContact C-N 3.34Å; E104-C115 PolarHBondContact O-N 2.84Å
105T98.1Very high97.6Very high36 Ų3658.9 Ų58.922%0.22133%0.333CS..EExtended strand (participates in β ladder)trans-128.7145.8-174.351.90000112.1W112 Y113 T114 R136T105-W112 HydrophobicContact CG2-CE3 4.19Å; T105-W112 HydrophobicContact CG2-CZ3 4Å; T105-Y113 CarbonylContact C-O 3.56Å; T105-Y113 WeakPolarHBondContact CA-O 3.34Å; T105-Y113 WeakPolarHBondContact CB-O 3.42Å; T105-T114 HydrophobicContact CG2-CG2 4.13Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.43Å; T105-R136 VanDerWaalsContact CB-NH2 3.35Å; T105-R136 PolarHBondContact OG1-NH1 2.62Å; T105-R136 PolarHBondContact OG1-NH2 2.77Å
106L98Very high97.6Very high14 Ų1459 Ų597%0.07334%0.337CS..EExtended strand (participates in β ladder)trans-127120.8178.4174.160.1000110.4K95 R98 M100 T108 W112 Y113K95-L106 HydrophobicContact CB-CD2 3.57Å; K95-L106 HydrophobicContact CG-CD2 3.61Å; R98-L106 VanDerWaalsContact NH1-CD1 3.3Å; M100-L106 HydrophobicContact CE-CB 3.72Å; M100-L106 HydrophobicContact SD-CB 3.45Å; M100-L106 WeakPolarHBondContact SD-CB 3.38Å; M100-L106 HydrophobicContact SD-CD2 4.07Å; M100-L106 HydrophobicContact SD-CG 4.41Å; L106-T108 HydrophobicContact CG-CG2 4.5Å; L106-W112 CarbonylContact O-C 3.57Å; L106-W112 VanDerWaalsContact O-CA 3.24Å; L106-W112 WeakPolarHBondContact O-CA 3.11Å; L106-Y113 PolarHBondContact N-O 2.91Å; L106-Y113 PolarHBondContact O-N 2.67Å
107T97.9Very high97.6Very high55 Ų5554.6 Ų54.634%0.33732%0.323SS..EExtended strand (participates in β ladder)trans-92.3130174.8-51.90000109.8V130 R136T107-V130 HydrophobicContact CG2-CG1 4.02Å; T107-V130 HydrophobicContact CG2-CG2 3.65Å; T107-R136 PolarHBondContact OG1-NE 2.83Å; T107-R136 PolarHBondContact OG1-NH2 3.26Å
108T96.9Very high97.6Very high26 Ų2652.8 Ų52.816%0.1631%0.305CS..  trans-114.8173.2169.969.70000109.5L106 N110 F111 Y113 V130L106-T108 HydrophobicContact CG-CG2 4.5Å; T108-N110 PolarHBondContact O-N 3.18Å; T108-F111 WeakPolarHBondContact CA-O 3.01Å; T108-F111 WeakPolarHBondContact CB-O 3.08Å; T108-F111 PolarHBondContact N-O 2.83Å; T108-F111 PolarHBondContact OG1-N 3.22Å; T108-F111 PolarHBondContact OG1-O 2.9Å; T108-Y113 HydrophobicContact CG2-CD2 4.05Å; T108-Y113 HydrophobicContact CG2-CE2 3.57Å; T108-V130 WeakPolarHBondContact O-CG2 3.19Å
109P96.3Very high97.3Very high112 Ų11251.2 Ų51.273%0.72732%0.319SS*.SBendtrans-58.5-21.2-177.8-28.836.9000116.2
110N96.6Very high96.9Very high77 Ų7751.7 Ų51.741%0.41233%0.329SS..SBendtrans-122-27.7-176.9-63.1-56.3000113.9T108 C129 V130 K145T108-N110 PolarHBondContact O-N 3.18Å; N110-C129 CarbonylContact O-C 3.49Å; N110-C129 WeakPolarHBondContact O-CA 3.38Å; N110-V130 PolarHBondContact O-N 2.9Å; N110-K145 PolarHBondContact OD1-NZ 3.01Å; N110-K145 VanDerWaalsContact OD1-NZ 3.12Å
111F97.7Very high96.7Very high47 Ų4755.4 Ų55.421%0.20636%0.355CS..EExtended strand (participates in β ladder)trans-141.8156.2-173.5-55.7-71.6000111.3T108 Y113 V126 G128 V130 V159T108-F111 WeakPolarHBondContact CA-O 3.01Å; T108-F111 WeakPolarHBondContact CB-O 3.08Å; T108-F111 PolarHBondContact N-O 2.83Å; T108-F111 PolarHBondContact OG1-N 3.22Å; T108-F111 PolarHBondContact OG1-O 2.9Å; F111-Y113 HydrophobicContact CB-CE2 4.21Å; F111-V126 HydrophobicContact CB-CG1 3.84Å; F111-V126 HydrophobicContact CD1-CG1 4.07Å; F111-V126 HydrophobicContact CG-CG1 4.13Å; F111-G128 WeakPolarHBondContact CA-O 3.16Å; F111-V130 VanDerWaalsContact C-CG2 3.42Å; F111-V159 HydrophobicContact CD1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG1 4.41Å; F111-V159 WeakPolarHBondContact CE1-O 3.24Å
112W98.1Very high96.7Very high38 Ų3853.2 Ų53.214%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-118.9145.2167.866.5-82000110.3T105 L106 T114 S127 G128 C129 V130 R136 V137T105-W112 HydrophobicContact CG2-CE3 4.19Å; T105-W112 HydrophobicContact CG2-CZ3 4Å; L106-W112 CarbonylContact O-C 3.57Å; L106-W112 VanDerWaalsContact O-CA 3.24Å; L106-W112 WeakPolarHBondContact O-CA 3.11Å; W112-T114 VanDerWaalsContact CZ3-OG1 3.26Å; W112-T114 WeakPolarHBondContact CZ3-OG1 3.37Å; W112-S127 VanDerWaalsContact CE3-CB 3.49Å; W112-S127 VanDerWaalsContact CZ2-CB 3.45Å; W112-S127 WeakPolarHBondContact CZ2-O 3.18Å; W112-S127 PolarHBondContact O-N 3.14Å; W112-G128 VanDerWaalsContact CD1-C 3.44Å; W112-G128 PolarHBondContact N-O 2.89Å; W112-G128 VanDerWaalsContact N-O 3.08Å; W112-G128 VanDerWaalsContact NE1-CA 3.28Å; W112-G128 PolarHBondContact O-N 2.8Å; W112-C129 VanDerWaalsContact CD1-O 3.26Å; W112-V130 HydrophobicContact CB-CG2 4.12Å; W112-R136 HydrophobicContact CB-CG 4.18Å; W112-R136 HydrophobicContact CD2-CB 4.38Å; W112-R136 HydrophobicContact CD2-CG 4.12Å; W112-R136 HydrophobicContact CG-CB 4.21Å; W112-R136 HydrophobicContact CG-CG 3.79Å; W112-V137 PolarHBondContact NE1-O 3.3Å
113Y97.9Very high96.6Very high33 Ų3351.6 Ų51.613%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-115.8149.9-172.9-57.8-98.6000109.8T105 L106 T108 F111 L124 E125 V126T105-Y113 CarbonylContact C-O 3.56Å; T105-Y113 WeakPolarHBondContact CA-O 3.34Å; T105-Y113 WeakPolarHBondContact CB-O 3.42Å; L106-Y113 PolarHBondContact N-O 2.91Å; L106-Y113 PolarHBondContact O-N 2.67Å; T108-Y113 HydrophobicContact CG2-CD2 4.05Å; T108-Y113 HydrophobicContact CG2-CE2 3.57Å; F111-Y113 HydrophobicContact CB-CE2 4.21Å; Y113-L124 HydrophobicContact CD1-CD2 4.32Å; Y113-L124 HydrophobicContact CD1-CG 4.19Å; Y113-E125 CarbonylContact C-O 3.55Å; Y113-E125 WeakPolarHBondContact CA-O 3.39Å; Y113-V126 HydrophobicContact CD1-CG2 3.95Å; Y113-V126 HydrophobicContact CE1-CG2 3.58Å
114T97.9Very high96.5Very high24 Ų2450.9 Ų50.915%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-123.2135.6169.7-54.80000109.1T105 W112 I116 E125 S127T105-T114 HydrophobicContact CG2-CG2 4.13Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.43Å; W112-T114 VanDerWaalsContact CZ3-OG1 3.26Å; W112-T114 WeakPolarHBondContact CZ3-OG1 3.37Å; T114-I116 HydrophobicContact CG2-CG1 4.06Å; T114-I116 PolarHBondContact O-N 2.87Å; T114-E125 PolarHBondContact N-O 2.84Å; T114-E125 PolarHBondContact O-N 3.31Å; T114-S127 WeakPolarHBondContact CB-OG 3.43Å; T114-S127 PolarHBondContact N-OG 3.2Å; T114-S127 PolarHBondContact OG1-OG 3.3Å
115C98.4Very high96.5Very high0 Ų051.1 Ų51.10%032%0.317CS..EExtended strand (participates in β ladder)trans-85.1104.4170.6-170.40000108.6C93 M100 N101 P102 G103 E104 L122 S123C93-C115 HydrophobicContact CB-CB 3.79Å; C93-C115 WeakPolarHBondContact CB-SG 3.32Å; C93-C115 PolarHBondContact N-SG 2.84Å; C93-C115 VanDerWaalsContact N-SG 3.37Å; C93-C115 VanDerWaalsContact SG-CA 3.52Å; C93-C115 WeakPolarHBondContact SG-CB 3.36Å; C93-C115 CovalentContact SG-SG 2.05Å; C93-C115 PolarHBondContact SG-SG 2.95Å; M100-C115 HydrophobicContact CB-CB 4.01Å; M100-C115 HydrophobicContact CE-CB 4.14Å; M100-C115 PolarHBondContact O-SG 2.82Å; N101-C115 WeakPolarHBondContact O-CB 3.32Å; P102-C115 CarbonylContact C-O 3.56Å; P102-C115 WeakPolarHBondContact CA-O 3.26Å; G103-C115 PolarHBondContact N-O 3.09Å; E104-C115 PolarHBondContact O-N 2.84Å; C115-L122 VanDerWaalsContact SG-CD1 3.53Å; C115-L122 VanDerWaalsContact SG-CG 3.59Å; C115-S123 CarbonylContact C-O 3.59Å
116I97.6Very high96.4Very high70 Ų7051.1 Ų51.136%0.35932%0.317SS..EExtended strand (participates in β ladder)trans-94.9118-174.7-56.1-175.9000109.1T114 L122 S123 E125T114-I116 HydrophobicContact CG2-CG1 4.06Å; T114-I116 PolarHBondContact O-N 2.87Å; I116-L122 WeakPolarHBondContact O-CA 3.18Å; I116-S123 PolarHBondContact N-O 2.9Å; I116-S123 PolarHBondContact O-N 3.13Å; I116-E125 HydrophobicContact CD1-CB 3.95Å; I116-E125 VanDerWaalsContact CD1-CD 3.45Å; I116-E125 HydrophobicContact CD1-CG 3.91Å; I116-E125 WeakPolarHBondContact CD1-OE2 3.3Å
117G96.8Very high96.4Very high44 Ų4451.8 Ų51.845%0.45432%0.323SS..EExtended strand (participates in β ladder)trans-86.7129174.100000111.9
118G95Very high96.4Very high44 Ų4449.1 Ų49.145%0.45431%0.306SS..  trans-105.8-176.516400000111.3N120 S121G118-N120 VanDerWaalsContact C-N 3.3Å; G118-N120 PolarHBondContact O-N 2.87Å; G118-S121 PolarHBondContact N-O 3.29Å
119A91.5Very high96.5Very high95 Ų9548 Ų4879%0.78530%0.299SS*.SBendtrans-59.3-38-177.500000113.6
120N89.1Confident96.5Very high109 Ų10942.9 Ų42.958%0.58327%0.266SS*.SBendtrans-140.214.5179.1-61.4-51.1000112.4R89 G118R89-N120 PolarHBondContact NH1-OD1 3.11Å; R89-N120 PolarHBondContact NH2-OD1 2.99Å; R89-N120 VanDerWaalsContact NH2-OD1 3.11Å; G118-N120 VanDerWaalsContact C-N 3.3Å; G118-N120 PolarHBondContact O-N 2.87Å
121S94.4Very high96.6Very high78 Ų7840.4 Ų40.455%0.54525%0.253SS..  trans-134.2155.6-176.558.40000110.2G118G118-S121 PolarHBondContact N-O 3.29Å
122L97.2Very high96.5Very high15 Ų1544.3 Ų44.38%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-134.6129.9174.1-165.165.9000106.6Y74 P90 A92 P102 C115 I116Y74-L122 HydrophobicContact CD1-CB 4.35Å; Y74-L122 HydrophobicContact CD1-CD2 4.21Å; Y74-L122 HydrophobicContact CD1-CG 4.43Å; Y74-L122 HydrophobicContact CE1-CB 4.39Å; Y74-L122 VanDerWaalsContact CE1-O 3.24Å; Y74-L122 WeakPolarHBondContact CE1-O 3.2Å; P90-L122 HydrophobicContact CB-CB 3.78Å; P90-L122 HydrophobicContact CB-CD2 4.16Å; P90-L122 HydrophobicContact CG-CB 3.74Å; A92-L122 VanDerWaalsContact CA-CD2 3.45Å; P102-L122 HydrophobicContact CB-CD1 4.13Å; P102-L122 HydrophobicContact CG-CD1 3.76Å; C115-L122 VanDerWaalsContact SG-CD1 3.53Å; C115-L122 VanDerWaalsContact SG-CG 3.59Å; I116-L122 WeakPolarHBondContact O-CA 3.18Å
123S96.8Very high96.4Very high37 Ų3748 Ų4826%0.25929%0.292SS..EExtended strand (participates in β ladder)trans-125142.7176.277.50000110.5C115 I116 E125C115-S123 CarbonylContact C-O 3.59Å; I116-S123 PolarHBondContact N-O 2.9Å; I116-S123 PolarHBondContact O-N 3.13Å; S123-E125 PolarHBondContact OG-OE1 2.96Å
124L96.9Very high96.3Very high43 Ų4348.3 Ų48.323%0.22531%0.306CS..EExtended strand (participates in β ladder)trans-97.6104.5169.1-174.970.3000108.8C93 K95 M100 Y113C93-L124 HydrophobicContact CB-CB 4.31Å; C93-L124 HydrophobicContact CB-CD1 3.95Å; K95-L124 HydrophobicContact CB-CD2 3.89Å; K95-L124 HydrophobicContact CD-CD2 3.93Å; K95-L124 HydrophobicContact CG-CD2 4.14Å; M100-L124 HydrophobicContact CE-CD1 4.09Å; M100-L124 HydrophobicContact SD-CD1 3.92Å; Y113-L124 HydrophobicContact CD1-CD2 4.32Å; Y113-L124 HydrophobicContact CD1-CG 4.19Å
125E96.5Very high96.3Very high77 Ų7751.4 Ų51.436%0.3632%0.321SS..EExtended strand (participates in β ladder)trans-103.2142.4-178.3-69.7-169.3-161.800112.1Y113 T114 I116 S123 S127Y113-E125 CarbonylContact C-O 3.55Å; Y113-E125 WeakPolarHBondContact CA-O 3.39Å; T114-E125 PolarHBondContact N-O 2.84Å; T114-E125 PolarHBondContact O-N 3.31Å; I116-E125 HydrophobicContact CD1-CB 3.95Å; I116-E125 VanDerWaalsContact CD1-CD 3.45Å; I116-E125 HydrophobicContact CD1-CG 3.91Å; I116-E125 WeakPolarHBondContact CD1-OE2 3.3Å; S123-E125 PolarHBondContact OG-OE1 2.96Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 PolarHBondContact O-OG 2.85Å
126V97.2Very high96.3Very high35 Ų3556.8 Ų56.821%0.21234%0.342CS..EExtended strand (participates in β ladder)trans-74.8114.2166.9-169.40000107.8F111 Y113 V159F111-V126 HydrophobicContact CB-CG1 3.84Å; F111-V126 HydrophobicContact CD1-CG1 4.07Å; F111-V126 HydrophobicContact CG-CG1 4.13Å; Y113-V126 HydrophobicContact CD1-CG2 3.95Å; Y113-V126 HydrophobicContact CE1-CG2 3.58Å; V126-V159 HydrophobicContact CB-CB 3.99Å; V126-V159 HydrophobicContact CB-CG2 3.91Å; V126-V159 HydrophobicContact CG1-CB 3.61Å; V126-V159 HydrophobicContact CG1-CG1 4.08Å; V126-V159 HydrophobicContact CG1-CG2 3.95Å; V126-V159 WeakPolarHBondContact O-CG2 3.34Å
127S97.5Very high96.3Very high28 Ų2854.1 Ų54.120%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-95.1-17.3-174.3-53.60000113.1W112 T114 E125W112-S127 VanDerWaalsContact CE3-CB 3.49Å; W112-S127 VanDerWaalsContact CZ2-CB 3.45Å; W112-S127 WeakPolarHBondContact CZ2-O 3.18Å; W112-S127 PolarHBondContact O-N 3.14Å; T114-S127 WeakPolarHBondContact CB-OG 3.43Å; T114-S127 PolarHBondContact N-OG 3.2Å; T114-S127 PolarHBondContact OG1-OG 3.3Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 PolarHBondContact O-OG 2.85Å
128G98.3Very high96.4Very high0 Ų055.5 Ų55.50%033%0.331CS..EExtended strand (participates in β ladder)trans172.9-166.4173.700000113.7F111 W112 V137F111-G128 WeakPolarHBondContact CA-O 3.16Å; W112-G128 VanDerWaalsContact CD1-C 3.44Å; W112-G128 PolarHBondContact N-O 2.89Å; W112-G128 VanDerWaalsContact N-O 3.08Å; W112-G128 VanDerWaalsContact NE1-CA 3.28Å; W112-G128 PolarHBondContact O-N 2.8Å; G128-V137 WeakPolarHBondContact CA-O 2.97Å
129C98.4Very high96.5Very high1 Ų156.3 Ų56.31%0.00733%0.327CS..EExtended strand (participates in β ladder)trans-100.2165.7-175.4-57.20000110.9N110 W112 V137 F143 C152N110-C129 CarbonylContact O-C 3.49Å; N110-C129 WeakPolarHBondContact O-CA 3.38Å; W112-C129 VanDerWaalsContact CD1-O 3.26Å; C129-V137 HydrophobicContact CB-CB 4.3Å; C129-V137 PolarHBondContact N-O 3.38Å; C129-V137 PolarHBondContact O-N 2.81Å; C129-F143 HydrophobicContact CB-CD1 4.48Å; C129-F143 HydrophobicContact CB-CE1 3.68Å; C129-F143 HydrophobicContact CB-CZ 3.84Å; C129-C152 HydrophobicContact CB-CB 3.76Å; C129-C152 WeakPolarHBondContact CB-SG 3.36Å; C129-C152 PolarHBondContact N-SG 2.95Å; C129-C152 WeakPolarHBondContact SG-CA 3.32Å; C129-C152 WeakPolarHBondContact SG-CB 3.4Å; C129-C152 CovalentContact SG-SG 2.05Å; C129-C152 PolarHBondContact SG-SG 3.09Å
130V97.8Very high96.8Very high5 Ų554.2 Ų54.23%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-123.7130.7176.9178.90000109.2T107 T108 N110 F111 W112 N135T107-V130 HydrophobicContact CG2-CG1 4.02Å; T107-V130 HydrophobicContact CG2-CG2 3.65Å; T108-V130 WeakPolarHBondContact O-CG2 3.19Å; N110-V130 PolarHBondContact O-N 2.9Å; F111-V130 VanDerWaalsContact C-CG2 3.42Å; W112-V130 HydrophobicContact CB-CG2 4.12Å; V130-N135 WeakPolarHBondContact CA-O 3.02Å
131D97.3Very high97.3Very high25 Ų2551.6 Ų51.613%0.13431%0.305CS..  trans-78.7178.9178.479.24.5000112.3N133 G134 N135 V137 F143D131-N133 PolarHBondContact O-N 3.42Å; D131-N133 VanDerWaalsContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CA 3.42Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 2.88Å; D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.13Å; D131-G134 PolarHBondContact OD1-N 2.84Å; D131-N135 PolarHBondContact N-O 3.28Å; D131-N135 PolarHBondContact OD1-N 3.36Å; D131-N135 PolarHBondContact OD1-ND2 3.41Å; D131-N135 WeakPolarHBondContact OD2-CB 3.43Å; D131-N135 PolarHBondContact OD2-ND2 3.19Å; D131-V137 HydrophobicContact CB-CG2 4.16Å; D131-F143 HydrophobicContact CB-CB 4.15Å; D131-F143 HydrophobicContact CB-CD2 3.89Å; D131-F143 HydrophobicContact CB-CG 4.39Å
132K95.2Very high97.5Very high129 Ų12950.8 Ų50.856%0.56130%0.297SS*.THydrogen-bonded Turntrans-61.5-20.8179.569177.9-175.9-1800114.4
133N96.5Very high97.5Very high116 Ų11650.8 Ų50.862%0.6230%0.297SS*.THydrogen-bonded Turntrans-96.5-2-178.1-60.6-31.8000111.8D131D131-N133 PolarHBondContact O-N 3.42Å; D131-N133 VanDerWaalsContact O-N 3.15Å; D131-N133 WeakPolarHBondContact OD1-CA 3.42Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 2.88Å
134G96.1Very high97.5Very high40 Ų4051.8 Ų51.841%0.41230%0.301SS..SBendtrans87.46.7-176.500000114.4D131D131-G134 PolarHBondContact O-N 2.97Å; D131-G134 VanDerWaalsContact O-N 3.13Å; D131-G134 PolarHBondContact OD1-N 2.84Å
135N97.9Very high97.4Very high89 Ų8953.9 Ų53.948%0.47631%0.308SS..  trans-74.1144.1178.7-55.6-51.3000110.9V130 D131V130-N135 WeakPolarHBondContact CA-O 3.02Å; D131-N135 PolarHBondContact N-O 3.28Å; D131-N135 PolarHBondContact OD1-N 3.36Å; D131-N135 PolarHBondContact OD1-ND2 3.41Å; D131-N135 WeakPolarHBondContact OD2-CB 3.43Å; D131-N135 PolarHBondContact OD2-ND2 3.19Å
136R98.1Very high97.3Very high113 Ų11352.7 Ų52.743%0.42632%0.316SS..EExtended strand (participates in β ladder)trans-78.3128.1176.4-64.9-179.7-179.3176.30.2110.3T105 T107 W112T105-R136 VanDerWaalsContact CB-NH2 3.35Å; T105-R136 PolarHBondContact OG1-NH1 2.62Å; T105-R136 PolarHBondContact OG1-NH2 2.77Å; T107-R136 PolarHBondContact OG1-NE 2.83Å; T107-R136 PolarHBondContact OG1-NH2 3.26Å; W112-R136 HydrophobicContact CB-CG 4.18Å; W112-R136 HydrophobicContact CD2-CB 4.38Å; W112-R136 HydrophobicContact CD2-CG 4.12Å; W112-R136 HydrophobicContact CG-CB 4.21Å; W112-R136 HydrophobicContact CG-CG 3.79Å
137V98.4Very high97.2Very high14 Ų1454 Ų549%0.08533%0.326CS..EExtended strand (participates in β ladder)trans-114.2122.4179.5-174.80000108.2W112 G128 C129 D131 F143 C152W112-V137 PolarHBondContact NE1-O 3.3Å; G128-V137 WeakPolarHBondContact CA-O 2.97Å; C129-V137 HydrophobicContact CB-CB 4.3Å; C129-V137 PolarHBondContact N-O 3.38Å; C129-V137 PolarHBondContact O-N 2.81Å; D131-V137 HydrophobicContact CB-CG2 4.16Å; V137-F143 HydrophobicContact CB-CD1 4.27Å; V137-F143 HydrophobicContact CG1-CB 4.17Å; V137-F143 HydrophobicContact CG1-CD1 3.81Å; V137-F143 HydrophobicContact CG1-CG 4.29Å; V137-F143 HydrophobicContact CG2-CB 3.74Å; V137-F143 HydrophobicContact CG2-CD1 4.19Å; V137-F143 HydrophobicContact CG2-CG 3.94Å; V137-C152 HydrophobicContact CG1-CB 4.41Å
138S98.1Very high97.2Very high73 Ų7354.6 Ų54.651%0.5133%0.325SS..EExtended strand (participates in β ladder)trans-66.4150.6177.2-60.80000111.5G140 S141S138-G140 PolarHBondContact O-N 2.59Å; S138-S141 WeakPolarHBondContact O-CB 3.39Å; S138-S141 PolarHBondContact O-N 2.88Å; S138-S141 VanDerWaalsContact O-N 3.1Å
139V98.1Very high97.2Very high60 Ų6055 Ų5536%0.36433%0.327SS..THydrogen-bonded Turntrans-56.7134.1169.8176.30000109.4K154 V159V139-K154 HydrophobicContact CG1-CB 3.57Å; V139-K154 HydrophobicContact CG2-CB 4.3Å; V139-V159 HydrophobicContact CG2-CG1 4.34Å; V139-V159 HydrophobicContact CG2-CG2 4.25Å
140G98.1Very high97.2Very high51 Ų5156.2 Ų56.253%0.52633%0.332SS..THydrogen-bonded Turntrans95-24-174.800000114.1S138 C152S138-G140 PolarHBondContact O-N 2.59Å; G140-C152 WeakPolarHBondContact CA-O 3.48Å; G140-C152 PolarHBondContact N-O 3.34Å
141S98.4Very high97.2Very high55 Ų5560.4 Ų60.439%0.38535%0.347SS..  trans-80.5155.6-179.7-56.30000112.5S138 C152S138-S141 WeakPolarHBondContact O-CB 3.39Å; S138-S141 PolarHBondContact O-N 2.88Å; S138-S141 VanDerWaalsContact O-N 3.1Å; S141-C152 PolarHBondContact O-N 3.35Å
142T98.2Very high97.3Very high61 Ų6159.2 Ų59.237%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-100.5153.6173.657.10000111.5F150 R151 Y164T142-F150 CarbonylContact C-O 3.56Å; T142-F150 WeakPolarHBondContact CA-O 3.42Å; T142-F150 WeakPolarHBondContact CB-O 3.4Å; T142-R151 HydrophobicContact CG2-CB 4.1Å; T142-R151 HydrophobicContact CG2-CG 4.27Å; T142-Y164 HydrophobicContact CG2-CD1 4.1Å; T142-Y164 HydrophobicContact CG2-CE1 4.41Å; T142-Y164 HydrophobicContact CG2-CG 4.41Å
143F98Very high97.4Very high15 Ų1554.7 Ų54.77%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-153.4153.5179.565.5-80000111.1C129 D131 V137 F150 C152C129-F143 HydrophobicContact CB-CD1 4.48Å; C129-F143 HydrophobicContact CB-CE1 3.68Å; C129-F143 HydrophobicContact CB-CZ 3.84Å; D131-F143 HydrophobicContact CB-CB 4.15Å; D131-F143 HydrophobicContact CB-CD2 3.89Å; D131-F143 HydrophobicContact CB-CG 4.39Å; V137-F143 HydrophobicContact CB-CD1 4.27Å; V137-F143 HydrophobicContact CG1-CB 4.17Å; V137-F143 HydrophobicContact CG1-CD1 3.81Å; V137-F143 HydrophobicContact CG1-CG 4.29Å; V137-F143 HydrophobicContact CG2-CB 3.74Å; V137-F143 HydrophobicContact CG2-CD1 4.19Å; V137-F143 HydrophobicContact CG2-CG 3.94Å; F143-F150 HydrophobicContact CD1-CB 4.26Å; F143-F150 HydrophobicContact CE1-CB 3.81Å; F143-F150 HydrophobicContact CE2-CB 4.17Å; F143-F150 HydrophobicContact CZ-CB 3.77Å; F143-F150 PolarHBondContact N-O 2.76Å; F143-F150 PolarHBondContact O-N 2.8Å; F143-C152 HydrophobicContact CE1-CB 4.32Å
144T96.8Very high97.5Very high57 Ų5754 Ų5435%0.3532%0.315SS..EExtended strand (participates in β ladder)trans-94.3136.6-177.757.70000111.7F148 L149 V167T144-F148 WeakPolarHBondContact CA-O 3.48Å; T144-L149 HydrophobicContact CG2-CD1 3.71Å; T144-V167 HydrophobicContact CG2-CG2 4.49Å
145K95.3Very high97.5Very high88 Ų8856 Ų5638%0.38332%0.324SS..EExtended strand (participates in β ladder)trans-135.1100171.9-170.9172.5-176.8170.20108.3N110 F148 F150N110-K145 PolarHBondContact OD1-NZ 3.01Å; N110-K145 VanDerWaalsContact OD1-NZ 3.12Å; K145-F148 PolarHBondContact N-O 2.95Å; K145-F148 PolarHBondContact O-N 3.39Å; K145-F150 HydrophobicContact CB-CD2 3.8Å; K145-F150 HydrophobicContact CB-CE2 3.82Å
146G93.6Very high97.3Very high51 Ų5154.6 Ų54.653%0.52633%0.33SS..THydrogen-bonded Turntrans67.4-135.5-171.400000111.7F148G146-F148 PolarHBondContact O-N 2.99Å
147P95.3Very high97Very high63 Ų6356.7 Ų56.741%0.40935%0.349SS..THydrogen-bonded Turntrans-84.420.7178.837.1-36.2000113V167P147-V167 PolarHBondContact O-N 2.86Å
148F97.6Very high96.8Very high40 Ų4060.9 Ų60.918%0.17537%0.371CS..EExtended strand (participates in β ladder)trans-130.4146-173.6-51.4-65.8000111.1T144 K145 G146 F150 I196 T198T144-F148 WeakPolarHBondContact CA-O 3.48Å; K145-F148 PolarHBondContact N-O 2.95Å; K145-F148 PolarHBondContact O-N 3.39Å; G146-F148 PolarHBondContact O-N 2.99Å; F148-F150 HydrophobicContact CB-CD2 4.23Å; F148-F150 HydrophobicContact CB-CE2 3.63Å; F148-F150 HydrophobicContact CB-CZ 4.34Å; F148-I196 HydrophobicContact CB-CG2 3.79Å; F148-I196 HydrophobicContact CD1-CG1 4.43Å; F148-I196 HydrophobicContact CD1-CG2 3.75Å; F148-I196 HydrophobicContact CE1-CG2 4.49Å; F148-I196 HydrophobicContact CG-CG2 3.79Å; F148-T198 HydrophobicContact CE1-CG2 4.04Å
149L98.1Very high96.8Very high8 Ų857.7 Ų57.74%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-102.2126.3171.6-170.366.6000108.2T144 Y164 A165 V167 Q172T144-L149 HydrophobicContact CG2-CD1 3.71Å; L149-Y164 HydrophobicContact CD2-CD1 3.73Å; L149-Y164 HydrophobicContact CD2-CE1 4.27Å; L149-Y164 HydrophobicContact CG-CD1 4.21Å; L149-Y164 WeakPolarHBondContact O-CA 3.4Å; L149-Y164 WeakPolarHBondContact O-CB 3.36Å; L149-Y164 PolarHBondContact O-N 2.99Å; L149-A165 HydrophobicContact CB-CB 4.15Å; L149-A165 HydrophobicContact CD2-CB 4.36Å; L149-A165 PolarHBondContact N-O 3.44Å; L149-A165 PolarHBondContact O-N 2.05Å; L149-A165 VanDerWaalsContact O-N 3.15Å; L149-V167 HydrophobicContact CB-CG2 4.01Å; L149-Q172 VanDerWaalsContact CD2-CD 3.42Å; L149-Q172 HydrophobicContact CD2-CG 4Å
150F98.3Very high96.8Very high27 Ų2755.8 Ų55.812%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-110.6154.4176.2-72.3-95.8000109.9T142 F143 K145 F148 E162 I196T142-F150 CarbonylContact C-O 3.56Å; T142-F150 WeakPolarHBondContact CA-O 3.42Å; T142-F150 WeakPolarHBondContact CB-O 3.4Å; F143-F150 HydrophobicContact CD1-CB 4.26Å; F143-F150 HydrophobicContact CE1-CB 3.81Å; F143-F150 HydrophobicContact CE2-CB 4.17Å; F143-F150 HydrophobicContact CZ-CB 3.77Å; F143-F150 PolarHBondContact N-O 2.76Å; F143-F150 PolarHBondContact O-N 2.8Å; K145-F150 HydrophobicContact CB-CD2 3.8Å; K145-F150 HydrophobicContact CB-CE2 3.82Å; F148-F150 HydrophobicContact CB-CD2 4.23Å; F148-F150 HydrophobicContact CB-CE2 3.63Å; F148-F150 HydrophobicContact CB-CZ 4.34Å; F150-E162 CarbonylContact C-O 3.58Å; F150-E162 VanDerWaalsContact CA-O 3.24Å; F150-E162 WeakPolarHBondContact CA-O 3.5Å; F150-I196 HydrophobicContact CE1-CG2 4.41Å; F150-I196 HydrophobicContact CZ-CG2 4.07Å
151R98.4Very high96.7Very high94 Ų9455.1 Ų55.136%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-110.9134.9168.5-174.5176.2-72.8-174.6-8.9109.2T142 V153 S161 E162 Y164T142-R151 HydrophobicContact CG2-CB 4.1Å; T142-R151 HydrophobicContact CG2-CG 4.27Å; R151-V153 HydrophobicContact CB-CG2 4.21Å; R151-V153 HydrophobicContact CG-CG2 3.88Å; R151-V153 PolarHBondContact O-N 3.22Å; R151-S161 WeakPolarHBondContact O-CA 3.36Å; R151-E162 PolarHBondContact N-O 3.3Å; R151-E162 PolarHBondContact O-N 3.21Å; R151-Y164 VanDerWaalsContact CZ-CE2 3.43Å; R151-Y164 VanDerWaalsContact NH2-CZ 3.25Å; R151-Y164 PolarHBondContact NH2-OH 2.84Å
152C98.6Very high96.7Very high0 Ų055.7 Ų55.70%032%0.32CS..EExtended strand (participates in β ladder)trans-80.1116.3171.4-161.10000109.2C129 V137 G140 S141 F143C129-C152 HydrophobicContact CB-CB 3.76Å; C129-C152 WeakPolarHBondContact CB-SG 3.36Å; C129-C152 PolarHBondContact N-SG 2.95Å; C129-C152 WeakPolarHBondContact SG-CA 3.32Å; C129-C152 WeakPolarHBondContact SG-CB 3.4Å; C129-C152 CovalentContact SG-SG 2.05Å; C129-C152 PolarHBondContact SG-SG 3.09Å; V137-C152 HydrophobicContact CG1-CB 4.41Å; G140-C152 WeakPolarHBondContact CA-O 3.48Å; G140-C152 PolarHBondContact N-O 3.34Å; S141-C152 PolarHBondContact O-N 3.35Å; F143-C152 HydrophobicContact CE1-CB 4.32Å
153V98.1Very high96.7Very high34 Ų3453 Ų5321%0.20631%0.306CS..EExtended strand (participates in β ladder)trans-122138.3-174.1-178.10000109.6R151 V159 T160 E162R151-V153 HydrophobicContact CB-CG2 4.21Å; R151-V153 HydrophobicContact CG-CG2 3.88Å; R151-V153 PolarHBondContact O-N 3.22Å; V153-V159 WeakPolarHBondContact O-CA 3.36Å; V153-T160 PolarHBondContact N-O 2.83Å; V153-T160 PolarHBondContact O-N 3.06Å; V153-E162 HydrophobicContact CB-CG 4.23Å; V153-E162 HydrophobicContact CG2-CB 4.26Å; V153-E162 HydrophobicContact CG2-CG 4.04Å
154K97.6Very high96.7Very high100 Ų10057.2 Ų57.244%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-108.8125173.1-176171.7-178.4173.70109.1V139 G156 L158 V159V139-K154 HydrophobicContact CG1-CB 3.57Å; V139-K154 HydrophobicContact CG2-CB 4.3Å; K154-G156 WeakPolarHBondContact CE-O 3.12Å; K154-G156 VanDerWaalsContact CG-O 3.28Å; K154-G156 WeakPolarHBondContact CG-O 3.31Å; K154-L158 WeakPolarHBondContact CA-O 3.42Å; K154-V159 HydrophobicContact CB-CG2 4.22Å; K154-V159 HydrophobicContact CD-CG2 4.36Å; K154-V159 HydrophobicContact CG-CG2 4.11Å
155S96.1Very high96.7Very high84 Ų8454.6 Ų54.659%0.58731%0.306SS*.EExtended strand (participates in β ladder)trans-124102.3173-173.80000108.2N157 L158S155-N157 PolarHBondContact O-N 2.96Å; S155-L158 PolarHBondContact N-O 2.77Å; S155-L158 PolarHBondContact O-N 2.88Å; S155-L158 VanDerWaalsContact O-N 3.11Å
156G94.3Very high96.9Very high58 Ų5850.4 Ų50.460%0.59829%0.288SS*.THydrogen-bonded Turntrans60.9-123.8-168.500000111.7K154K154-G156 WeakPolarHBondContact CE-O 3.12Å; K154-G156 VanDerWaalsContact CG-O 3.28Å; K154-G156 WeakPolarHBondContact CG-O 3.31Å
157N91.9Very high97.1Very high157 Ų15749.8 Ų49.884%0.8427%0.274SS*.THydrogen-bonded Turntrans-89.3-3.4177.9-65.5-19.9000113.4S155S155-N157 PolarHBondContact O-N 2.96Å
158L94.6Very high97.2Very high103 Ų10347.1 Ų47.154%0.53926%0.256SS..EExtended strand (participates in β ladder)trans-95.7125.5-178.9-176.167000110.2K154 S155 T160K154-L158 WeakPolarHBondContact CA-O 3.42Å; S155-L158 PolarHBondContact N-O 2.77Å; S155-L158 PolarHBondContact O-N 2.88Å; S155-L158 VanDerWaalsContact O-N 3.11Å; L158-T160 HydrophobicContact CD1-CG2 4.27Å; L158-T160 HydrophobicContact CD2-CG2 3.81Å; L158-T160 HydrophobicContact CG-CG2 3.79Å
159V97.4Very high97.1Very high5 Ų551 Ų513%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-103.2127.9168.2176.80000108.5F111 V126 V139 V153 K154F111-V159 HydrophobicContact CD1-CG1 4.33Å; F111-V159 HydrophobicContact CE1-CG1 4.41Å; F111-V159 WeakPolarHBondContact CE1-O 3.24Å; V126-V159 HydrophobicContact CB-CB 3.99Å; V126-V159 HydrophobicContact CB-CG2 3.91Å; V126-V159 HydrophobicContact CG1-CB 3.61Å; V126-V159 HydrophobicContact CG1-CG1 4.08Å; V126-V159 HydrophobicContact CG1-CG2 3.95Å; V126-V159 WeakPolarHBondContact O-CG2 3.34Å; V139-V159 HydrophobicContact CG2-CG1 4.34Å; V139-V159 HydrophobicContact CG2-CG2 4.25Å; V153-V159 WeakPolarHBondContact O-CA 3.36Å; K154-V159 HydrophobicContact CB-CG2 4.22Å; K154-V159 HydrophobicContact CD-CG2 4.36Å; K154-V159 HydrophobicContact CG-CG2 4.11Å
160T97.3Very high97Very high20 Ų2054 Ų5412%0.12331%0.312CS..EExtended strand (participates in β ladder)trans-133.4156.4176.456.20000112V153 L158 K194V153-T160 PolarHBondContact N-O 2.83Å; V153-T160 PolarHBondContact O-N 3.06Å; L158-T160 HydrophobicContact CD1-CG2 4.27Å; L158-T160 HydrophobicContact CD2-CG2 3.81Å; L158-T160 HydrophobicContact CG-CG2 3.79Å; T160-K194 HydrophobicContact CG2-CD 4.42Å; T160-K194 PolarHBondContact OG1-NZ 3.26Å
161S97.2Very high97Very high38 Ų3859 Ų5927%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-91.2121167.458.10000110.2R151R151-S161 WeakPolarHBondContact O-CA 3.36Å
162E97.7Very high97Very high66 Ų6659.9 Ų59.931%0.30834%0.344SS..EExtended strand (participates in β ladder)trans-107.8132.1177.8-63.1-173.7173.800110.6F150 R151 V153 Y164 K194F150-E162 CarbonylContact C-O 3.58Å; F150-E162 VanDerWaalsContact CA-O 3.24Å; F150-E162 WeakPolarHBondContact CA-O 3.5Å; R151-E162 PolarHBondContact N-O 3.3Å; R151-E162 PolarHBondContact O-N 3.21Å; V153-E162 HydrophobicContact CB-CG 4.23Å; V153-E162 HydrophobicContact CG2-CB 4.26Å; V153-E162 HydrophobicContact CG2-CG 4.04Å; E162-Y164 PolarHBondContact O-N 3.46Å; E162-K194 HydrophobicContact CG-CB 4.42Å; E162-K194 HydrophobicContact CG-CD 4.14Å; E162-K194 HydrophobicContact CG-CG 4.08Å
163G97.8Very high96.9Very high6 Ų660.3 Ų60.36%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-60.9123.3175.600000110.9K194G163-K194 PolarHBondContact N-O 3.49Å
164Y98Very high97Very high102 Ų10262.7 Ų62.740%0.436%0.362SS..EExtended strand (participates in β ladder)trans-110.8-45.1-171.9-176.9-107.1000112.6T142 L149 R151 E162T142-Y164 HydrophobicContact CG2-CD1 4.1Å; T142-Y164 HydrophobicContact CG2-CE1 4.41Å; T142-Y164 HydrophobicContact CG2-CG 4.41Å; L149-Y164 HydrophobicContact CD2-CD1 3.73Å; L149-Y164 HydrophobicContact CD2-CE1 4.27Å; L149-Y164 HydrophobicContact CG-CD1 4.21Å; L149-Y164 WeakPolarHBondContact O-CA 3.4Å; L149-Y164 WeakPolarHBondContact O-CB 3.36Å; L149-Y164 PolarHBondContact O-N 2.99Å; R151-Y164 VanDerWaalsContact CZ-CE2 3.43Å; R151-Y164 VanDerWaalsContact NH2-CZ 3.25Å; R151-Y164 PolarHBondContact NH2-OH 2.84Å; E162-Y164 PolarHBondContact O-N 3.46Å
165A98.6Very high97Very high3 Ų360.9 Ų60.93%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-157.1159.6-18000000111.2L149 I173L149-A165 HydrophobicContact CB-CB 4.15Å; L149-A165 HydrophobicContact CD2-CB 4.36Å; L149-A165 PolarHBondContact N-O 3.44Å; L149-A165 PolarHBondContact O-N 2.05Å; L149-A165 VanDerWaalsContact O-N 3.15Å; A165-I173 CarbonylContact C-O 3.58Å; A165-I173 WeakPolarHBondContact CA-O 3.38Å; A165-I173 VanDerWaalsContact CB-O 3.27Å; A165-I173 WeakPolarHBondContact CB-O 3.35Å
166C98.3Very high97.1Very high0 Ų058.8 Ų58.80%035%0.348CS..EExtended strand (participates in β ladder)trans-84.9155.8165.3-59.80000109I173 F179 C188 T198C166-I173 HydrophobicContact CB-CB 4.31Å; C166-I173 PolarHBondContact N-O 3.23Å; C166-I173 PolarHBondContact O-N 2.93Å; C166-F179 HydrophobicContact CB-CE1 4.48Å; C166-C188 HydrophobicContact CB-CB 3.75Å; C166-C188 WeakPolarHBondContact CB-SG 3.48Å; C166-C188 PolarHBondContact N-SG 3.31Å; C166-C188 WeakPolarHBondContact SG-CA 3.38Å; C166-C188 WeakPolarHBondContact SG-CB 3.26Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.8Å; C166-T198 HydrophobicContact CB-CG2 4.07Å
167V97.7Very high97.3Very high38 Ų3857 Ų5723%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-123.4117.9176.4-1760000108.6T144 P147 L149 Q171T144-V167 HydrophobicContact CG2-CG2 4.49Å; P147-V167 PolarHBondContact O-N 2.86Å; L149-V167 HydrophobicContact CB-CG2 4.01Å; V167-Q171 WeakPolarHBondContact CA-O 3.4Å
168S97.2Very high97.6Very high6 Ų652.2 Ų52.24%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-127126.9172.5-165.30000109G170 Q171 F179S168-G170 PolarHBondContact O-N 3.4Å; S168-G170 VanDerWaalsContact O-N 3.11Å; S168-Q171 PolarHBondContact N-O 2.89Å; S168-Q171 WeakPolarHBondContact O-CA 3.35Å; S168-Q171 WeakPolarHBondContact O-CB 3.37Å; S168-Q171 PolarHBondContact O-N 2.99Å; S168-F179 VanDerWaalsContact CB-CD2 3.44Å; S168-F179 WeakPolarHBondContact OG-CD2 3.17Å; S168-F179 WeakPolarHBondContact OG-CE2 3.2Å
169D95.7Very high97.8Very high123 Ų12348.4 Ų48.466%0.65829%0.285SS*.THydrogen-bonded Turntrans5238175.7-46.8-48.4000113.2Q171 R181D169-Q171 PolarHBondContact O-N 2.91Å; D169-R181 IonicContact OD1-NH2 3.5Å
170G96Very high97.7Very high70 Ų7051.5 Ų51.572%0.72230%0.304SS*.THydrogen-bonded Turntrans81.4-12.8-17800000114.9S168S168-G170 PolarHBondContact O-N 3.4Å; S168-G170 VanDerWaalsContact O-N 3.11Å
171Q97.8Very high97.6Very high131 Ų13157 Ų5761%0.61232%0.322SS*.EExtended strand (participates in β ladder)trans-84.8136.5179.3-170.9177.7-2.900111.9V167 S168 D169 I173V167-Q171 WeakPolarHBondContact CA-O 3.4Å; S168-Q171 PolarHBondContact N-O 2.89Å; S168-Q171 WeakPolarHBondContact O-CA 3.35Å; S168-Q171 WeakPolarHBondContact O-CB 3.37Å; S168-Q171 PolarHBondContact O-N 2.99Å; D169-Q171 PolarHBondContact O-N 2.91Å; Q171-I173 HydrophobicContact CG-CD1 4.06Å
172Q98.1Very high97.4Very high114 Ų11458.5 Ų58.553%0.53334%0.344SS..EExtended strand (participates in β ladder)trans-82.7121.8172.1-60.6-179.528.400110L149L149-Q172 VanDerWaalsContact CD2-CD 3.42Å; L149-Q172 HydrophobicContact CD2-CG 4Å
173I98.6Very high97.1Very high9 Ų959.8 Ų59.85%0.04635%0.35CS..EExtended strand (participates in β ladder)trans-106.9112.5176.7-50-60.8000108A165 C166 Q171 F179 C188A165-I173 CarbonylContact C-O 3.58Å; A165-I173 WeakPolarHBondContact CA-O 3.38Å; A165-I173 VanDerWaalsContact CB-O 3.27Å; A165-I173 WeakPolarHBondContact CB-O 3.35Å; C166-I173 HydrophobicContact CB-CB 4.31Å; C166-I173 PolarHBondContact N-O 3.23Å; C166-I173 PolarHBondContact O-N 2.93Å; Q171-I173 HydrophobicContact CG-CD1 4.06Å; I173-F179 HydrophobicContact CB-CD1 4.35Å; I173-F179 HydrophobicContact CD1-CB 4.01Å; I173-F179 HydrophobicContact CG1-CB 4.1Å; I173-F179 HydrophobicContact CG1-CD1 3.92Å; I173-F179 HydrophobicContact CG1-CG 4.15Å; I173-F179 HydrophobicContact CG2-CD1 4.09Å; I173-C188 HydrophobicContact CG2-CB 4.16Å
174P98.5Very high97Very high84 Ų8462 Ų6255%0.54536%0.358SS..EExtended strand (participates in β ladder)trans-62.1158-18028.3-35.2000110.9G176 G177P174-G176 PolarHBondContact O-N 2.8Å; P174-G177 WeakPolarHBondContact O-CA 3.46Å; P174-G177 PolarHBondContact O-N 2.81Å
175I98.2Very high96.9Very high61 Ų6157.6 Ų57.631%0.31334%0.341SS..THydrogen-bonded Turntrans-55.8130.7172.4-61.2170.4000109.3G177 R190 I196I175-G177 VanDerWaalsContact C-N 3.31Å; I175-R190 HydrophobicContact CG2-CB 4.28Å; I175-I196 HydrophobicContact CD1-CD1 4.19Å; I175-I196 HydrophobicContact CG1-CD1 3.73Å; I175-I196 HydrophobicContact CG1-CG1 4.46Å
176G98.2Very high96.8Very high41 Ų4159.9 Ų59.942%0.42335%0.349SS..THydrogen-bonded Turntrans91.4-21.9-172.200000114.1P174 Q187 C188P174-G176 PolarHBondContact O-N 2.8Å; G176-Q187 PolarHBondContact O-NE2 2.76Å; G176-C188 WeakPolarHBondContact CA-O 3.43Å; G176-C188 PolarHBondContact N-O 3.32Å
177G98.5Very high96.8Very high20 Ų2062 Ų6221%0.20636%0.359CS..  trans-67.9155177.800000113.1P174 I175 Q187 C188P174-G177 WeakPolarHBondContact O-CA 3.46Å; P174-G177 PolarHBondContact O-N 2.81Å; I175-G177 VanDerWaalsContact C-N 3.31Å; G177-Q187 WeakPolarHBondContact O-CA 3.27Å; G177-C188 PolarHBondContact O-N 2.79Å
178T98.2Very high96.8Very high57 Ų5760.2 Ų60.235%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-116.1155.3179.3690000111.5W185 Y186 Q187 Q209T178-W185 HydrophobicContact CG2-CE3 3.99Å; T178-W185 HydrophobicContact CG2-CZ3 3.6Å; T178-Y186 CarbonylContact C-O 3.57Å; T178-Y186 WeakPolarHBondContact CA-O 3Å; T178-Y186 WeakPolarHBondContact CB-O 3.44Å; T178-Q187 HydrophobicContact CG2-CB 4.25Å; T178-Q187 HydrophobicContact CG2-CG 4.21Å; T178-Q209 PolarHBondContact OG1-NE2 3.1Å; T178-Q209 PolarHBondContact OG1-OE1 2.88Å
179F98Very high96.8Very high23 Ų2360.6 Ų60.610%0.10135%0.351CS..EExtended strand (participates in β ladder)trans-151.4156.9175.763.8-80.6000110.5C166 S168 I173 W185 Y186 T198C166-F179 HydrophobicContact CB-CE1 4.48Å; S168-F179 VanDerWaalsContact CB-CD2 3.44Å; S168-F179 WeakPolarHBondContact OG-CD2 3.17Å; S168-F179 WeakPolarHBondContact OG-CE2 3.2Å; I173-F179 HydrophobicContact CB-CD1 4.35Å; I173-F179 HydrophobicContact CD1-CB 4.01Å; I173-F179 HydrophobicContact CG1-CB 4.1Å; I173-F179 HydrophobicContact CG1-CD1 3.92Å; I173-F179 HydrophobicContact CG1-CG 4.15Å; I173-F179 HydrophobicContact CG2-CD1 4.09Å; F179-W185 CarbonylContact O-C 3.51Å; F179-W185 VanDerWaalsContact O-CA 3.31Å; F179-W185 WeakPolarHBondContact O-CA 3.41Å; F179-Y186 HydrophobicContact CD2-CD2 4.46Å; F179-Y186 HydrophobicContact CE2-CD2 4.02Å; F179-Y186 HydrophobicContact CE2-CG 4.11Å; F179-Y186 VanDerWaalsContact CZ-CB 3.47Å; F179-Y186 HydrophobicContact CZ-CD2 4.39Å; F179-Y186 AromaticContact CZ-CG 4Å; F179-Y186 HydrophobicContact CZ-CG 4Å; F179-Y186 PolarHBondContact N-O 3.34Å; F179-Y186 PolarHBondContact O-N 3.34Å; F179-T198 HydrophobicContact CE1-CG2 4Å; F179-T198 HydrophobicContact CZ-CG2 3.65Å
180V96.5Very high96.9Very high69 Ų6961.6 Ų61.642%0.41835%0.345SS..EExtended strand (participates in β ladder)trans-107.2134.7-179.6175.70000109.1F184 W185 A204 Q209V180-F184 WeakPolarHBondContact CA-O 3.42Å; V180-W185 HydrophobicContact CG2-CB 4Å; V180-A204 HydrophobicContact CB-CB 4.37Å; V180-A204 HydrophobicContact CG1-CB 3.45Å; V180-A204 VanDerWaalsContact CG1-CB 3.45Å; V180-A204 HydrophobicContact CG2-CB 4Å; V180-Q209 HydrophobicContact CG2-CG 4.45Å
181R94.6Very high96.8Very high135 Ų13562.2 Ų62.251%0.50933%0.331SS..EExtended strand (participates in β ladder)trans-135.6111.3171.4-162.2177.8-146.2178.26.2109.4D169 Q183 F184 Y186D169-R181 IonicContact OD1-NH2 3.5Å; R181-Q183 PolarHBondContact O-N 3.38Å; R181-F184 PolarHBondContact N-O 3.36Å; R181-F184 PolarHBondContact O-N 3.38Å; R181-Y186 HydrophobicContact CB-CD2 4.17Å; R181-Y186 HydrophobicContact CB-CE2 3.77Å
182G93.1Very high96.7Very high70 Ų7059 Ų5972%0.72233%0.333SS*.THydrogen-bonded Turntrans64.5-128.5-172.200000111.8F184G182-F184 VanDerWaalsContact C-N 3.28Å; G182-F184 PolarHBondContact O-N 3.42Å
183Q92.8Very high96.5Very high93 Ų9361.4 Ų61.444%0.43535%0.345SS..THydrogen-bonded Turntrans-90.412.8179.8-65.8-179.2-17.300113.3R181 C203 A204 H243R181-Q183 PolarHBondContact O-N 3.38Å; Q183-C203 CarbonylContact O-C 3.6Å; Q183-C203 WeakPolarHBondContact O-CA 3.47Å; Q183-A204 PolarHBondContact O-N 2.77Å; Q183-H243 PolarHBondContact OE1-NE2 2.88Å
184F94.2Very high96.3Very high54 Ų5464.2 Ų64.224%0.23736%0.356CS..EExtended strand (participates in β ladder)trans-130150.4-170.4-45.4-46000110.7V180 R181 G182 Y186 L200 G202 V241V180-F184 WeakPolarHBondContact CA-O 3.42Å; R181-F184 PolarHBondContact N-O 3.36Å; R181-F184 PolarHBondContact O-N 3.38Å; G182-F184 VanDerWaalsContact C-N 3.28Å; G182-F184 PolarHBondContact O-N 3.42Å; F184-Y186 HydrophobicContact CB-CE2 3.82Å; F184-L200 HydrophobicContact CB-CD1 3.75Å; F184-L200 HydrophobicContact CG-CD1 4.36Å; F184-G202 WeakPolarHBondContact CA-O 3.49Å; F184-V241 HydrophobicContact CB-CG2 4.36Å; F184-V241 HydrophobicContact CD1-CB 3.32Å; F184-V241 HydrophobicContact CD1-CG1 3.66Å; F184-V241 HydrophobicContact CD1-CG2 3.35Å; F184-V241 HydrophobicContact CE1-CB 3.28Å; F184-V241 HydrophobicContact CE1-CG1 3.65Å; F184-V241 HydrophobicContact CE1-CG2 3.87Å; F184-V241 HydrophobicContact CG-CB 4.2Å; F184-V241 HydrophobicContact CG-CG2 3.84Å; F184-V241 HydrophobicContact CZ-CB 4.02Å
185W96.4Very high96.2Very high9 Ų961.4 Ų61.43%0.03434%0.343CS..EExtended strand (participates in β ladder)trans-120.5146.1171.875-87.2000111.2T178 F179 V180 Q187 R201 G202 C203 Q209 L210 H211T178-W185 HydrophobicContact CG2-CE3 3.99Å; T178-W185 HydrophobicContact CG2-CZ3 3.6Å; F179-W185 CarbonylContact O-C 3.51Å; F179-W185 VanDerWaalsContact O-CA 3.31Å; F179-W185 WeakPolarHBondContact O-CA 3.41Å; V180-W185 HydrophobicContact CG2-CB 4Å; W185-Q187 HydrophobicContact CZ3-CB 4.47Å; W185-R201 HydrophobicContact CD2-CB 3.75Å; W185-R201 HydrophobicContact CE3-CB 3.57Å; W185-R201 HydrophobicContact CE3-CG 4.06Å; W185-R201 HydrophobicContact CH2-CB 3.16Å; W185-R201 HydrophobicContact CH2-CG 3.63Å; W185-R201 HydrophobicContact CZ2-CB 3.31Å; W185-R201 HydrophobicContact CZ2-CG 4.28Å; W185-R201 HydrophobicContact CZ3-CB 3.27Å; W185-R201 HydrophobicContact CZ3-CG 3.47Å; W185-R201 VanDerWaalsContact CZ3-CG 3.47Å; W185-R201 PolarHBondContact O-N 3Å; W185-G202 PolarHBondContact N-O 3.18Å; W185-G202 VanDerWaalsContact N-O 3.08Å; W185-G202 PolarHBondContact O-N 3.04Å; W185-C203 VanDerWaalsContact CD1-O 3.27Å; W185-Q209 HydrophobicContact CB-CG 3.96Å; W185-Q209 HydrophobicContact CD2-CB 4.03Å; W185-Q209 HydrophobicContact CD2-CG 4.14Å; W185-Q209 HydrophobicContact CG-CB 3.9Å; W185-Q209 HydrophobicContact CG-CG 3.78Å; W185-L210 PolarHBondContact NE1-O 3.11Å; W185-H211 AromaticContact CH2-CE1 3.55Å; W185-H211 AromaticContact CH2-ND1 3.93Å; W185-H211 AromaticContact CZ2-CE1 3.46Å; W185-H211 VanDerWaalsContact CZ2-CE1 3.46Å; W185-H211 WeakPolarHBondContact CZ2-CE1 3.04Å; W185-H211 AromaticContact CZ2-ND1 3.49Å; W185-H211 WeakPolarHBondContact CZ2-ND1 3.36Å
186Y96.6Very high96.2Very high51 Ų5159 Ų5920%0.233%0.33CS..EExtended strand (participates in β ladder)trans-124.1154.3-171.4-60.9-96.3000109.1T178 F179 R181 F184 E199 L200T178-Y186 CarbonylContact C-O 3.57Å; T178-Y186 WeakPolarHBondContact CA-O 3Å; T178-Y186 WeakPolarHBondContact CB-O 3.44Å; F179-Y186 HydrophobicContact CD2-CD2 4.46Å; F179-Y186 HydrophobicContact CE2-CD2 4.02Å; F179-Y186 HydrophobicContact CE2-CG 4.11Å; F179-Y186 VanDerWaalsContact CZ-CB 3.47Å; F179-Y186 HydrophobicContact CZ-CD2 4.39Å; F179-Y186 AromaticContact CZ-CG 4Å; F179-Y186 HydrophobicContact CZ-CG 4Å; F179-Y186 PolarHBondContact N-O 3.34Å; F179-Y186 PolarHBondContact O-N 3.34Å; R181-Y186 HydrophobicContact CB-CD2 4.17Å; R181-Y186 HydrophobicContact CB-CE2 3.77Å; F184-Y186 HydrophobicContact CB-CE2 3.82Å; Y186-E199 CarbonylContact C-O 3.55Å; Y186-E199 WeakPolarHBondContact CA-O 3.44Å; Y186-L200 HydrophobicContact CD1-CB 4.13Å; Y186-L200 HydrophobicContact CD1-CD1 4.26Å; Y186-L200 HydrophobicContact CE1-CB 3.98Å; Y186-L200 HydrophobicContact CE1-CD1 3.83Å; Y186-L200 HydrophobicContact CE1-CG 4.48Å; Y186-L200 HydrophobicContact CE2-CD1 4.47Å
187Q97.5Very high96.1Very high45 Ų4560 Ų6021%0.2132%0.324CS..EExtended strand (participates in β ladder)trans-118.5137.8168.6-174172.735.600109.6G176 G177 T178 W185 S189 E199 R201G176-Q187 PolarHBondContact O-NE2 2.76Å; G177-Q187 WeakPolarHBondContact O-CA 3.27Å; T178-Q187 HydrophobicContact CG2-CB 4.25Å; T178-Q187 HydrophobicContact CG2-CG 4.21Å; W185-Q187 HydrophobicContact CZ3-CB 4.47Å; Q187-S189 PolarHBondContact O-N 2.97Å; Q187-E199 PolarHBondContact N-O 2.72Å; Q187-E199 PolarHBondContact O-N 3.4Å; Q187-R201 HydrophobicContact CB-CG 3.67Å
188C98.1Very high95.9Very high0 Ų061.7 Ų61.70%033%0.33CS..EExtended strand (participates in β ladder)trans-78.2116.5170.7-165.40000109.5C166 I173 G176 G177 I196C166-C188 HydrophobicContact CB-CB 3.75Å; C166-C188 WeakPolarHBondContact CB-SG 3.48Å; C166-C188 PolarHBondContact N-SG 3.31Å; C166-C188 WeakPolarHBondContact SG-CA 3.38Å; C166-C188 WeakPolarHBondContact SG-CB 3.26Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.8Å; I173-C188 HydrophobicContact CG2-CB 4.16Å; G176-C188 WeakPolarHBondContact CA-O 3.43Å; G176-C188 PolarHBondContact N-O 3.32Å; G177-C188 PolarHBondContact O-N 2.79Å; C188-I196 VanDerWaalsContact SG-CD1 3.57Å
189S97.2Very high95.7Very high13 Ų1361.2 Ų61.29%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-124.5150.1-174.5-66.70000111.1Q187 I196 Q197 E199Q187-S189 PolarHBondContact O-N 2.97Å; S189-I196 WeakPolarHBondContact O-CA 3.35Å; S189-Q197 PolarHBondContact N-O 3.18Å; S189-Q197 PolarHBondContact O-N 2.92Å; S189-E199 WeakPolarHBondContact CB-OE1 3.43Å; S189-E199 PolarHBondContact OG-OE1 3.45Å; S189-E199 PolarHBondContact OG-OE2 3.47Å
190R97.2Very high95.5Very high145 Ų14561 Ų6155%0.54732%0.324SS..EExtended strand (participates in β ladder)trans-83.7136.6175.2-174.1174.2-77.4-171.4-5.2110.1I175 G192 G195I175-R190 HydrophobicContact CG2-CB 4.28Å; R190-G192 WeakPolarHBondContact CG-O 2.86Å; R190-G195 WeakPolarHBondContact CG-O 3.33Å
191I95.1Very high95.5Very high82 Ų8261.4 Ų61.442%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-111.1119170.2-44.1162.7000109G195 Q197I191-G195 PolarHBondContact N-O 2.82Å; I191-G195 CarbonylContact O-C 3.58Å; I191-G195 WeakPolarHBondContact O-CA 2.89Å; I191-G195 PolarHBondContact O-N 2.89Å; I191-Q197 HydrophobicContact CD1-CB 3.43Å; I191-Q197 VanDerWaalsContact CD1-CB 3.43Å; I191-Q197 HydrophobicContact CD1-CG 3.68Å; I191-Q197 HydrophobicContact CG1-CB 3.69Å; I191-Q197 HydrophobicContact CG1-CG 3.35Å
192G95.5Very high95.6Very high64 Ų6455 Ų5566%0.6629%0.294SS*.THydrogen-bonded Turntrans59.6-149.7-175.700000111.8R190R190-G192 WeakPolarHBondContact CG-O 2.86Å
193E94.6Very high95.7Very high165 Ų16551.6 Ų51.677%0.77126%0.259SS*.THydrogen-bonded Turntrans-80-37.7-175.9-64.4-173.6165.300113.3
194K94.4Very high95.9Very high67 Ų6748 Ų4829%0.29125%0.245SC..THydrogen-bonded Turntrans-124.1-9.7-168.3-57.8-174.1178.7-1770114.1T160 E162 G163T160-K194 HydrophobicContact CG2-CD 4.42Å; T160-K194 PolarHBondContact OG1-NZ 3.26Å; E162-K194 HydrophobicContact CG-CB 4.42Å; E162-K194 HydrophobicContact CG-CD 4.14Å; E162-K194 HydrophobicContact CG-CG 4.08Å; G163-K194 PolarHBondContact N-O 3.49Å
195G95.7Very high96.1Very high25 Ų2546 Ų4626%0.25824%0.238SC..EExtended strand (participates in β ladder)trans-83.7159.8-17900000112.4R190 I191R190-G195 WeakPolarHBondContact CG-O 3.33Å; I191-G195 PolarHBondContact N-O 2.82Å; I191-G195 CarbonylContact O-C 3.58Å; I191-G195 WeakPolarHBondContact O-CA 2.89Å; I191-G195 PolarHBondContact O-N 2.89Å
196I97.4Very high96Very high10 Ų1051.4 Ų51.45%0.05127%0.267CS..EExtended strand (participates in β ladder)trans-142.3141177.2-170165.6000108.7F148 F150 I175 C188 S189F148-I196 HydrophobicContact CB-CG2 3.79Å; F148-I196 HydrophobicContact CD1-CG1 4.43Å; F148-I196 HydrophobicContact CD1-CG2 3.75Å; F148-I196 HydrophobicContact CE1-CG2 4.49Å; F148-I196 HydrophobicContact CG-CG2 3.79Å; F150-I196 HydrophobicContact CE1-CG2 4.41Å; F150-I196 HydrophobicContact CZ-CG2 4.07Å; I175-I196 HydrophobicContact CD1-CD1 4.19Å; I175-I196 HydrophobicContact CG1-CD1 3.73Å; I175-I196 HydrophobicContact CG1-CG1 4.46Å; C188-I196 VanDerWaalsContact SG-CD1 3.57Å; S189-I196 WeakPolarHBondContact O-CA 3.35Å
197Q96.1Very high96Very high64 Ų6453 Ų5330%0.29930%0.299SS..EExtended strand (participates in β ladder)trans-139.1161175.862.9-177.211.500112.1S189 I191 E199S189-Q197 PolarHBondContact N-O 3.18Å; S189-Q197 PolarHBondContact O-N 2.92Å; I191-Q197 HydrophobicContact CD1-CB 3.43Å; I191-Q197 VanDerWaalsContact CD1-CB 3.43Å; I191-Q197 HydrophobicContact CD1-CG 3.68Å; I191-Q197 HydrophobicContact CG1-CB 3.69Å; I191-Q197 HydrophobicContact CG1-CG 3.35Å; Q197-E199 HydrophobicContact CG-CG 3.98Å; Q197-E199 PolarHBondContact NE2-OE1 2.89Å
198T95.4Very high96Very high54 Ų5459.1 Ų59.133%0.33132%0.321SS..EExtended strand (participates in β ladder)trans-94.9117.3164.750.50000109.3F148 C166 F179F148-T198 HydrophobicContact CE1-CG2 4.04Å; C166-T198 HydrophobicContact CB-CG2 4.07Å; F179-T198 HydrophobicContact CE1-CG2 4Å; F179-T198 HydrophobicContact CZ-CG2 3.65Å
199E93.6Very high96Very high47 Ų4762.9 Ų62.922%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-97.4125.1175.5-72.8174.4-168.300110.3Y186 Q187 S189 Q197 R201Y186-E199 CarbonylContact C-O 3.55Å; Y186-E199 WeakPolarHBondContact CA-O 3.44Å; Q187-E199 PolarHBondContact N-O 2.72Å; Q187-E199 PolarHBondContact O-N 3.4Å; S189-E199 WeakPolarHBondContact CB-OE1 3.43Å; S189-E199 PolarHBondContact OG-OE1 3.45Å; S189-E199 PolarHBondContact OG-OE2 3.47Å; Q197-E199 HydrophobicContact CG-CG 3.98Å; Q197-E199 PolarHBondContact NE2-OE1 2.89Å; E199-R201 PolarHBondContact O-N 3.45Å; E199-R201 IonicContact OE2-CZ 2.95Å; E199-R201 IonicContact OE2-NE 3.09Å; E199-R201 IonicContact OE2-NH1 3.41Å; E199-R201 PolarHBondContact OE2-NH1 2.84Å; E199-R201 IonicContact OE2-NH2 3.93Å; E199-R201 PolarHBondContact OE2-NH2 3.45Å
200L94.1Very high96Very high18 Ų1862.6 Ų62.69%0.09434%0.336CS..EExtended strand (participates in β ladder)trans-69.1120.6169175.565.1000109.6F184 Y186 V227 A239 V241F184-L200 HydrophobicContact CB-CD1 3.75Å; F184-L200 HydrophobicContact CG-CD1 4.36Å; Y186-L200 HydrophobicContact CD1-CB 4.13Å; Y186-L200 HydrophobicContact CD1-CD1 4.26Å; Y186-L200 HydrophobicContact CE1-CB 3.98Å; Y186-L200 HydrophobicContact CE1-CD1 3.83Å; Y186-L200 HydrophobicContact CE1-CG 4.48Å; Y186-L200 HydrophobicContact CE2-CD1 4.47Å; L200-V227 HydrophobicContact CD2-CG1 3.87Å; L200-V227 HydrophobicContact CG-CG1 4.14Å; L200-A239 HydrophobicContact CB-CB 4.31Å; L200-A239 HydrophobicContact CD2-CB 3.59Å; L200-A239 WeakPolarHBondContact CD2-O 3.35Å; L200-V241 HydrophobicContact CD1-CG2 3.66Å; L200-V241 HydrophobicContact CD2-CG2 3.53Å; L200-V241 HydrophobicContact CG-CG2 3.95Å
201R95.7Very high96Very high78 Ų7860.4 Ų60.429%0.29433%0.331SS..EExtended strand (participates in β ladder)trans-108.3-26.4-175.9-69.3-64.3-161.7-154.3-6.1114.2W185 Q187 E199W185-R201 HydrophobicContact CD2-CB 3.75Å; W185-R201 HydrophobicContact CE3-CB 3.57Å; W185-R201 HydrophobicContact CE3-CG 4.06Å; W185-R201 HydrophobicContact CH2-CB 3.16Å; W185-R201 HydrophobicContact CH2-CG 3.63Å; W185-R201 HydrophobicContact CZ2-CB 3.31Å; W185-R201 HydrophobicContact CZ2-CG 4.28Å; W185-R201 HydrophobicContact CZ3-CB 3.27Å; W185-R201 HydrophobicContact CZ3-CG 3.47Å; W185-R201 VanDerWaalsContact CZ3-CG 3.47Å; W185-R201 PolarHBondContact O-N 3Å; Q187-R201 HydrophobicContact CB-CG 3.67Å; E199-R201 PolarHBondContact O-N 3.45Å; E199-R201 IonicContact OE2-CZ 2.95Å; E199-R201 IonicContact OE2-NE 3.09Å; E199-R201 IonicContact OE2-NH1 3.41Å; E199-R201 PolarHBondContact OE2-NH1 2.84Å; E199-R201 IonicContact OE2-NH2 3.93Å; E199-R201 PolarHBondContact OE2-NH2 3.45Å
202G96.3Very high96.1Very high0 Ų060.7 Ų60.70%033%0.334CS..EExtended strand (participates in β ladder)trans167.9-149.8176.200000114.6F184 W185 L210F184-G202 WeakPolarHBondContact CA-O 3.49Å; W185-G202 PolarHBondContact N-O 3.18Å; W185-G202 VanDerWaalsContact N-O 3.08Å; W185-G202 PolarHBondContact O-N 3.04Å; G202-L210 CarbonylContact C-O 3.57Å; G202-L210 VanDerWaalsContact CA-O 3.26Å; G202-L210 WeakPolarHBondContact CA-O 3.24Å
203C96.8Very high96.1Very high0 Ų059.2 Ų59.20%032%0.318CS..EExtended strand (participates in β ladder)trans-101.9139.1-171.3-560000111.3Q183 W185 V205 L210 C225 V241Q183-C203 CarbonylContact O-C 3.6Å; Q183-C203 WeakPolarHBondContact O-CA 3.47Å; W185-C203 VanDerWaalsContact CD1-O 3.27Å; C203-V205 HydrophobicContact CB-CG2 4.2Å; C203-L210 HydrophobicContact CB-CB 4.25Å; C203-L210 PolarHBondContact N-O 3.08Å; C203-L210 PolarHBondContact O-N 3.34Å; C203-C225 HydrophobicContact CB-CB 3.85Å; C203-C225 WeakPolarHBondContact CB-SG 3.47Å; C203-C225 PolarHBondContact N-SG 2.86Å; C203-C225 WeakPolarHBondContact SG-CA 3.4Å; C203-C225 WeakPolarHBondContact SG-CB 3.49Å; C203-C225 CovalentContact SG-SG 2.03Å; C203-C225 PolarHBondContact SG-SG 2.83Å; C203-V241 HydrophobicContact CB-CG1 4.45Å; C203-V241 WeakPolarHBondContact SG-CG1 3.26Å
204A97Very high96.3Very high16 Ų1655.1 Ų55.113%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-103113.8167.700000108.7V180 Q183 R208V180-A204 HydrophobicContact CB-CB 4.37Å; V180-A204 HydrophobicContact CG1-CB 3.45Å; V180-A204 VanDerWaalsContact CG1-CB 3.45Å; V180-A204 HydrophobicContact CG2-CB 4Å; Q183-A204 PolarHBondContact O-N 2.77Å; A204-R208 CarbonylContact C-O 3.56Å; A204-R208 VanDerWaalsContact CA-O 3.32Å; A204-R208 WeakPolarHBondContact CA-O 3.09Å
205V96.9Very high96.4Very high14 Ų1457 Ų579%0.08531%0.307CS..EExtended strand (participates in β ladder)trans-131.1121.5-178.3-175.90000109.2C203 G207 R208 L210 Y216C203-V205 HydrophobicContact CB-CG2 4.2Å; V205-G207 PolarHBondContact O-N 2.03Å; V205-R208 PolarHBondContact N-O 2.82Å; V205-R208 WeakPolarHBondContact O-CB 3.11Å; V205-R208 PolarHBondContact O-N 2.9Å; V205-L210 HydrophobicContact CB-CD1 4.2Å; V205-L210 HydrophobicContact CG2-CD1 3.99Å; V205-Y216 HydrophobicContact CB-CE2 4.47Å; V205-Y216 HydrophobicContact CG1-CD2 3.76Å; V205-Y216 HydrophobicContact CG1-CE2 3.66Å; V205-Y216 HydrophobicContact CG1-CG 4.35Å; V205-Y216 HydrophobicContact CG2-CD1 4.25Å; V205-Y216 HydrophobicContact CG2-CE1 3.85Å; V205-Y216 HydrophobicContact CG2-CE2 4.18Å
206D95.5Very high96.5Very high121 Ų12157.2 Ų57.265%0.64730%0.301SS*.THydrogen-bonded Turntrans50.443.6176-51.2-34.7000112.2R208 K218D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.15Å; D206-K218 IonicContact OD1-NZ 2.67Å; D206-K218 PolarHBondContact OD1-NZ 3.32Å; D206-K218 IonicContact OD2-NZ 2.83Å; D206-K218 PolarHBondContact OD2-NZ 3.35Å
207G95.9Very high96.5Very high86 Ų8659.4 Ų59.489%0.88732%0.317SS*.THydrogen-bonded Turntrans81.7-7.4-179.100000115.6V205V205-G207 PolarHBondContact O-N 2.03Å
208R97.5Very high96.5Very high173 Ų17359.2 Ų59.265%0.65332%0.315SS*.EExtended strand (participates in β ladder)trans-94.8137.8-179.9-61.2174.460176.4-2.2111.5A204 V205 D206 L210A204-R208 CarbonylContact C-O 3.56Å; A204-R208 VanDerWaalsContact CA-O 3.32Å; A204-R208 WeakPolarHBondContact CA-O 3.09Å; V205-R208 PolarHBondContact N-O 2.82Å; V205-R208 WeakPolarHBondContact O-CB 3.11Å; V205-R208 PolarHBondContact O-N 2.9Å; D206-R208 VanDerWaalsContact C-N 3.29Å; D206-R208 PolarHBondContact O-N 3.15Å; R208-L210 HydrophobicContact CB-CD2 4.5Å
209Q97.8Very high96.5Very high79 Ų7962.5 Ų62.537%0.36933%0.33SS..EExtended strand (participates in β ladder)trans-89.2118169.9-65.6-179.57.900108.6T178 V180 W185T178-Q209 PolarHBondContact OG1-NE2 3.1Å; T178-Q209 PolarHBondContact OG1-OE1 2.88Å; V180-Q209 HydrophobicContact CG2-CG 4.45Å; W185-Q209 HydrophobicContact CB-CG 3.96Å; W185-Q209 HydrophobicContact CD2-CB 4.03Å; W185-Q209 HydrophobicContact CD2-CG 4.14Å; W185-Q209 HydrophobicContact CG-CB 3.9Å; W185-Q209 HydrophobicContact CG-CG 3.78Å
210L97.9Very high96.6Very high7 Ų761.2 Ų61.24%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-107.3130.8178.6-56.2178000109.5W185 G202 C203 V205 R208 E214 Y216 C225W185-L210 PolarHBondContact NE1-O 3.11Å; G202-L210 CarbonylContact C-O 3.57Å; G202-L210 VanDerWaalsContact CA-O 3.26Å; G202-L210 WeakPolarHBondContact CA-O 3.24Å; C203-L210 HydrophobicContact CB-CB 4.25Å; C203-L210 PolarHBondContact N-O 3.08Å; C203-L210 PolarHBondContact O-N 3.34Å; V205-L210 HydrophobicContact CB-CD1 4.2Å; V205-L210 HydrophobicContact CG2-CD1 3.99Å; R208-L210 HydrophobicContact CB-CD2 4.5Å; L210-E214 WeakPolarHBondContact CA-OE2 3.36Å; L210-E214 HydrophobicContact CB-CB 4.21Å; L210-Y216 HydrophobicContact CD1-CD1 3.38Å; L210-Y216 HydrophobicContact CD1-CE1 4.16Å; L210-Y216 HydrophobicContact CD1-CG 3.83Å; L210-C225 HydrophobicContact CB-CB 4.32Å
211H97.3Very high96.8Very high99 Ų9962 Ų6246%0.45833%0.333SS..EExtended strand (participates in β ladder)trans-73.5164.5173.4-69.8-82.3000111.9W185 G213 E214W185-H211 AromaticContact CH2-CE1 3.55Å; W185-H211 AromaticContact CH2-ND1 3.93Å; W185-H211 AromaticContact CZ2-CE1 3.46Å; W185-H211 VanDerWaalsContact CZ2-CE1 3.46Å; W185-H211 WeakPolarHBondContact CZ2-CE1 3.04Å; W185-H211 AromaticContact CZ2-ND1 3.49Å; W185-H211 WeakPolarHBondContact CZ2-ND1 3.36Å; H211-G213 PolarHBondContact O-N 3.3Å; H211-E214 HydrophobicContact CB-CG 4.07Å; H211-E214 IonicContact CD2-OE1 2.82Å; H211-E214 PolarHBondContact N-OE2 2.78Å; H211-E214 WeakPolarHBondContact O-CB 3.36Å; H211-E214 PolarHBondContact O-N 2.76Å; H211-E214 VanDerWaalsContact O-N 3.1Å
212D95.8Very high96.9Very high88 Ų8858.5 Ų58.547%0.47132%0.32SS..THydrogen-bonded Turntrans-54.9128.2171.6-171.531.7000111.1K226 V227D212-K226 WeakPolarHBondContact OD1-CA 3.47Å; D212-V227 HydrophobicContact CB-CB 4.17Å; D212-V227 HydrophobicContact CB-CG2 3.83Å; D212-V227 PolarHBondContact OD1-N 3.28Å
213G96.6Very high96.9Very high33 Ų3360.2 Ų60.234%0.3433%0.327SS..THydrogen-bonded Turntrans88.9-13.3-177.500000115.5H211 Q224 C225H211-G213 PolarHBondContact O-N 3.3Å; G213-Q224 WeakPolarHBondContact O-CG 3.11Å; G213-Q224 PolarHBondContact O-NE2 2.85Å; G213-C225 WeakPolarHBondContact CA-O 3.24Å; G213-C225 PolarHBondContact N-O 2.98Å
214E98.1Very high96.9Very high79 Ų7963.1 Ų63.137%0.36934%0.341SS..  trans-70.5147.7178.5-69.3-172.1155.900112.1L210 H211 Q224 C225L210-E214 WeakPolarHBondContact CA-OE2 3.36Å; L210-E214 HydrophobicContact CB-CB 4.21Å; H211-E214 HydrophobicContact CB-CG 4.07Å; H211-E214 IonicContact CD2-OE1 2.82Å; H211-E214 PolarHBondContact N-OE2 2.78Å; H211-E214 WeakPolarHBondContact O-CB 3.36Å; H211-E214 PolarHBondContact O-N 2.76Å; H211-E214 VanDerWaalsContact O-N 3.1Å; E214-Q224 WeakPolarHBondContact O-CA 3.36Å; E214-C225 PolarHBondContact O-N 3.05Å
215K97.7Very high97Very high105 Ų10562.4 Ų62.446%0.45734%0.335SS..EExtended strand (participates in β ladder)trans-107152.1-176.8-57.6-177.8-170.9170.40111.7L222 F223 Q224 V246 E259K215-L222 HydrophobicContact CB-CD1 3.96Å; K215-L222 HydrophobicContact CB-CG 4.49Å; K215-L222 HydrophobicContact CD-CD1 4.28Å; K215-L222 HydrophobicContact CD-CD2 3.93Å; K215-L222 HydrophobicContact CD-CG 4.19Å; K215-F223 CarbonylContact C-O 3.57Å; K215-F223 WeakPolarHBondContact CA-O 3.49Å; K215-Q224 HydrophobicContact CG-CB 4.44Å; K215-Q224 HydrophobicContact CG-CG 4.35Å; K215-V246 HydrophobicContact CD-CG2 4.43Å; K215-E259 IonicContact NZ-OE2 3.61Å
216Y97.3Very high96.9Very high31 Ų3166.8 Ų66.812%0.12235%0.352CS..EExtended strand (participates in β ladder)trans-146.4151.2172.170.1-85.6000111V205 L210 K218 F223 H243V205-Y216 HydrophobicContact CB-CE2 4.47Å; V205-Y216 HydrophobicContact CG1-CD2 3.76Å; V205-Y216 HydrophobicContact CG1-CE2 3.66Å; V205-Y216 HydrophobicContact CG1-CG 4.35Å; V205-Y216 HydrophobicContact CG2-CD1 4.25Å; V205-Y216 HydrophobicContact CG2-CE1 3.85Å; V205-Y216 HydrophobicContact CG2-CE2 4.18Å; L210-Y216 HydrophobicContact CD1-CD1 3.38Å; L210-Y216 HydrophobicContact CD1-CE1 4.16Å; L210-Y216 HydrophobicContact CD1-CG 3.83Å; Y216-K218 HydrophobicContact CD2-CB 4.22Å; Y216-K218 HydrophobicContact CE2-CB 4Å; Y216-K218 HydrophobicContact CE2-CD 4.31Å; Y216-F223 HydrophobicContact CD1-CB 3.83Å; Y216-F223 HydrophobicContact CD2-CB 4.2Å; Y216-F223 HydrophobicContact CD2-CD2 4.47Å; Y216-F223 HydrophobicContact CE1-CB 3.35Å; Y216-F223 HydrophobicContact CE1-CG 4.26Å; Y216-F223 HydrophobicContact CE2-CB 3.74Å; Y216-F223 AromaticContact CE2-CD2 3.88Å; Y216-F223 HydrophobicContact CE2-CD2 3.88Å; Y216-F223 AromaticContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CG-CB 4.25Å; Y216-F223 AromaticContact CZ-CG 3.71Å; Y216-F223 PolarHBondContact N-O 3.31Å; Y216-F223 PolarHBondContact O-N 2.8Å; Y216-H243 AromaticContact CE1-ND1 3.68Å; Y216-H243 AromaticContact CZ-ND1 3.71Å; Y216-H243 PolarHBondContact OH-ND1 3.07Å
217S96.7Very high96.8Very high55 Ų5561.6 Ų61.639%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-97.4131.1178.1-176.60000109.9F221 T249S217-F221 WeakPolarHBondContact CA-O 3.01Å; S217-T249 WeakPolarHBondContact OG-CB 3.36Å; S217-T249 WeakPolarHBondContact OG-CG2 3.44Å; S217-T249 PolarHBondContact OG-OG1 2.85Å
218K96.2Very high96.5Very high60 Ų6059.5 Ų59.526%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-148.2130.7172.9-168.5161.7-170.9146.90110.1D206 Y216 G220 F221 F223D206-K218 IonicContact OD1-NZ 2.67Å; D206-K218 PolarHBondContact OD1-NZ 3.32Å; D206-K218 IonicContact OD2-NZ 2.83Å; D206-K218 PolarHBondContact OD2-NZ 3.35Å; Y216-K218 HydrophobicContact CD2-CB 4.22Å; Y216-K218 HydrophobicContact CE2-CB 4Å; Y216-K218 HydrophobicContact CE2-CD 4.31Å; K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.76Å; K218-F221 PolarHBondContact N-O 3.35Å; K218-F221 PolarHBondContact O-N 3.42Å; K218-F223 HydrophobicContact CB-CD2 4.09Å; K218-F223 HydrophobicContact CB-CE2 3.93Å
219N95.6Very high96Very high123 Ų12359.2 Ų59.266%0.65829%0.294SS*.THydrogen-bonded Turntrans52.338177.7-57.1-24.5000114.3F221N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 WeakPolarHBondContact O-CD2 3.47Å; N219-F221 PolarHBondContact O-N 3.18Å
220G96Very high95.3Very high20 Ų2062.6 Ų62.621%0.20630%0.303CS..THydrogen-bonded Turntrans76.79.3-179.200000115.1K218 T249 K290K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.76Å; G220-T249 VanDerWaalsContact CA-OG1 3.32Å; G220-T249 WeakPolarHBondContact CA-OG1 3.45Å; G220-T249 PolarHBondContact O-N 3.45Å; G220-T249 PolarHBondContact O-OG1 2.78Å; G220-K290 WeakPolarHBondContact O-CE 3.36Å
221F97.4Very high93.9Very high36 Ų3670.3 Ų70.316%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-117.4148.2176.2-62.6-76.5000111.3S217 K218 N219 F223 I245 T249 I288S217-F221 WeakPolarHBondContact CA-O 3.01Å; K218-F221 PolarHBondContact N-O 3.35Å; K218-F221 PolarHBondContact O-N 3.42Å; N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 WeakPolarHBondContact O-CD2 3.47Å; N219-F221 PolarHBondContact O-N 3.18Å; F221-F223 HydrophobicContact CB-CD2 4.32Å; F221-F223 HydrophobicContact CB-CE2 3.72Å; F221-F223 HydrophobicContact CB-CZ 4.26Å; F221-I245 HydrophobicContact CB-CG2 4.16Å; F221-I245 HydrophobicContact CD1-CG2 4.27Å; F221-T249 PolarHBondContact N-OG1 3.03Å; F221-I288 HydrophobicContact CD1-CG2 4.2Å; F221-I288 HydrophobicContact CE1-CG2 4.27Å; F221-I288 WeakPolarHBondContact CE1-O 3.42Å
222L97.7Very high92.7Very high4 Ų467.7 Ų67.72%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-96.8115.8174.9-172.161.9000108.6K215 I245 V246 G247 T249 E259K215-L222 HydrophobicContact CB-CD1 3.96Å; K215-L222 HydrophobicContact CB-CG 4.49Å; K215-L222 HydrophobicContact CD-CD1 4.28Å; K215-L222 HydrophobicContact CD-CD2 3.93Å; K215-L222 HydrophobicContact CD-CG 4.19Å; L222-I245 CarbonylContact O-C 3.51Å; L222-V246 HydrophobicContact CB-CG2 4.29Å; L222-V246 HydrophobicContact CD2-CG2 4.03Å; L222-V246 HydrophobicContact CG-CG2 3.81Å; L222-V246 WeakPolarHBondContact O-CG2 3.39Å; L222-V246 PolarHBondContact O-N 2.98Å; L222-G247 PolarHBondContact N-O 2.84Å; L222-G247 PolarHBondContact O-N 2.02Å; L222-T249 HydrophobicContact CB-CG2 3.79Å; L222-T249 HydrophobicContact CD1-CG2 4.02Å; L222-T249 HydrophobicContact CG-CG2 4.45Å; L222-E259 HydrophobicContact CD1-CG 3.83Å; L222-E259 HydrophobicContact CD2-CB 3.95Å; L222-E259 HydrophobicContact CD2-CG 3.87Å; L222-E259 WeakPolarHBondContact CD2-OE2 3.07Å; L222-E259 HydrophobicContact CG-CG 4.45Å
223F97.2Very high91.2Very high36 Ų3672.7 Ų72.716%0.15836%0.357CS..EExtended strand (participates in β ladder)trans-101.5149.3175.5-67.1-96.8000110.1K215 Y216 K218 F221 H243 T244 I245K215-F223 CarbonylContact C-O 3.57Å; K215-F223 WeakPolarHBondContact CA-O 3.49Å; Y216-F223 HydrophobicContact CD1-CB 3.83Å; Y216-F223 HydrophobicContact CD2-CB 4.2Å; Y216-F223 HydrophobicContact CD2-CD2 4.47Å; Y216-F223 HydrophobicContact CE1-CB 3.35Å; Y216-F223 HydrophobicContact CE1-CG 4.26Å; Y216-F223 HydrophobicContact CE2-CB 3.74Å; Y216-F223 AromaticContact CE2-CD2 3.88Å; Y216-F223 HydrophobicContact CE2-CD2 3.88Å; Y216-F223 AromaticContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CE2-CG 3.92Å; Y216-F223 HydrophobicContact CG-CB 4.25Å; Y216-F223 AromaticContact CZ-CG 3.71Å; Y216-F223 PolarHBondContact N-O 3.31Å; Y216-F223 PolarHBondContact O-N 2.8Å; K218-F223 HydrophobicContact CB-CD2 4.09Å; K218-F223 HydrophobicContact CB-CE2 3.93Å; F221-F223 HydrophobicContact CB-CD2 4.32Å; F221-F223 HydrophobicContact CB-CE2 3.72Å; F221-F223 HydrophobicContact CB-CZ 4.26Å; F223-H243 HydrophobicContact CD1-CB 4.09Å; F223-T244 CarbonylContact C-O 3.52Å; F223-T244 WeakPolarHBondContact CA-O 3.49Å; F223-I245 HydrophobicContact CD1-CG1 3.7Å; F223-I245 HydrophobicContact CE1-CD1 4Å; F223-I245 HydrophobicContact CE1-CG1 3.29Å; F223-I245 HydrophobicContact CZ-CD1 4.19Å; F223-I245 HydrophobicContact CZ-CG1 3.79Å
224Q97.6Very high89.5Confident61 Ų6178.5 Ų78.529%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-117130.3169.3-171172.929.100109.2G213 E214 K215 K226 T244 V246G213-Q224 WeakPolarHBondContact O-CG 3.11Å; G213-Q224 PolarHBondContact O-NE2 2.85Å; E214-Q224 WeakPolarHBondContact O-CA 3.36Å; K215-Q224 HydrophobicContact CG-CB 4.44Å; K215-Q224 HydrophobicContact CG-CG 4.35Å; Q224-K226 PolarHBondContact O-N 2.8Å; Q224-T244 PolarHBondContact N-O 3.31Å; Q224-T244 PolarHBondContact O-N 2.86Å; Q224-V246 HydrophobicContact CB-CB 4.42Å; Q224-V246 HydrophobicContact CB-CG1 3.57Å; Q224-V246 HydrophobicContact CB-CG2 3.95Å
225C97.8Very high88Confident0 Ų077 Ų770%038%0.379CS..EExtended strand (participates in β ladder)trans-68.4124.1169-173.40000109.2C203 L210 G213 E214C203-C225 HydrophobicContact CB-CB 3.85Å; C203-C225 WeakPolarHBondContact CB-SG 3.47Å; C203-C225 PolarHBondContact N-SG 2.86Å; C203-C225 WeakPolarHBondContact SG-CA 3.4Å; C203-C225 WeakPolarHBondContact SG-CB 3.49Å; C203-C225 CovalentContact SG-SG 2.03Å; C203-C225 PolarHBondContact SG-SG 2.83Å; L210-C225 HydrophobicContact CB-CB 4.32Å; G213-C225 WeakPolarHBondContact CA-O 3.24Å; G213-C225 PolarHBondContact N-O 2.98Å; E214-C225 PolarHBondContact O-N 3.05Å
226K95.9Very high86.1Confident106 Ų10679.9 Ų79.946%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-130.2117177.3-170.8174.5-176.8177.60110.9D212 Q224 V228 V241 Q242D212-K226 WeakPolarHBondContact OD1-CA 3.47Å; Q224-K226 PolarHBondContact O-N 2.8Å; K226-V228 HydrophobicContact CD-CG2 4.48Å; K226-V228 HydrophobicContact CG-CG2 4.28Å; K226-V228 PolarHBondContact O-N 3.23Å; K226-V241 CarbonylContact O-C 3.53Å; K226-V241 WeakPolarHBondContact O-CA 3.34Å; K226-Q242 PolarHBondContact N-O 2.88Å; K226-Q242 PolarHBondContact O-N 2.85Å
227V93.1Very high84.2Confident12 Ų1283.5 Ų83.57%0.07343%0.429CS..EExtended strand (participates in β ladder)trans-89.7101.4174.8-176.80000108.7L200 D212 R229 V241L200-V227 HydrophobicContact CD2-CG1 3.87Å; L200-V227 HydrophobicContact CG-CG1 4.14Å; D212-V227 HydrophobicContact CB-CB 4.17Å; D212-V227 HydrophobicContact CB-CG2 3.83Å; D212-V227 PolarHBondContact OD1-N 3.28Å; V227-R229 HydrophobicContact CG1-CG 4.32Å; V227-R229 PolarHBondContact O-N 2.95Å; V227-V241 HydrophobicContact CG2-CG2 4.4Å
228V90.3Very high82.8Confident42 Ų4284.6 Ų84.626%0.25543%0.43SS..EExtended strand (participates in β ladder)trans-83.898.1175.8-175.30000108.6K226 R230 A239 S240 Q242K226-V228 HydrophobicContact CD-CG2 4.48Å; K226-V228 HydrophobicContact CG-CG2 4.28Å; K226-V228 PolarHBondContact O-N 3.23Å; V228-R230 PolarHBondContact O-N 3.23Å; V228-A239 WeakPolarHBondContact O-CA 3.49Å; V228-S240 WeakPolarHBondContact CA-O 3.37Å; V228-S240 WeakPolarHBondContact CB-O 3.48Å; V228-S240 PolarHBondContact N-O 3.15Å; V228-S240 PolarHBondContact O-N 3.36Å; V228-Q242 HydrophobicContact CG2-CG 4.17Å
229R86.7Confident81.7Confident168 Ų16883.8 Ų83.863%0.63444%0.435SS*.EExtended strand (participates in β ladder)trans-77.4110.4167-62.4-177.6-174.7159.84.4107.6V227 N231V227-R229 HydrophobicContact CG1-CG 4.32Å; V227-R229 PolarHBondContact O-N 2.95Å; R229-N231 PolarHBondContact O-N 3.29Å
230R82.3Confident81.1Confident149 Ų14979.6 Ų79.656%0.56242%0.415SS*.  trans-70.1121.7166.2-61.5-170.6-152.6-1786.8106.4V228 C232V228-R230 PolarHBondContact O-N 3.23Å; R230-C232 PolarHBondContact O-N 3.28Å
231N69.8Low80.5Confident170 Ų17079.4 Ų79.491%0.90941%0.409SS*.  trans-67.474.5166.3-72.3-6.2000107.7R229R229-N231 PolarHBondContact O-N 3.29Å
232C70.4Confident80.1Confident44 Ų4482.4 Ų82.430%0.29742%0.424SS..  trans-108.8117.2162.560.50000106.9R230 N234 C235R230-C232 PolarHBondContact O-N 3.28Å; C232-N234 PolarHBondContact O-N 2.83Å; C232-C235 HydrophobicContact CB-CB 4.26Å; C232-C235 WeakPolarHBondContact CB-SG 3.44Å; C232-C235 PolarHBondContact O-N 2.9Å; C232-C235 WeakPolarHBondContact SG-CB 3.14Å; C232-C235 CovalentContact SG-SG 2.02Å; C232-C235 PolarHBondContact SG-SG 2.79Å
233E65.9Low79.9Confident192 Ų19284.6 Ų84.690%0.89743%0.434SS*.THydrogen-bonded Turntrans-60.9-8.9-174.8-152166.3-178.400112.6
234N61.1Low79.8Confident155 Ų15585.2 Ų85.283%0.82944%0.441SS*.THydrogen-bonded Turntrans-144.427-177.1-73.4-47.9000114.5C232C232-N234 PolarHBondContact O-N 2.83Å
235C65.6Low79.7Confident48 Ų4884.6 Ų84.632%0.32444%0.439SS..  trans-117.3100.4167.4-3.40000112.3C232 S237 L238C232-C235 HydrophobicContact CB-CB 4.26Å; C232-C235 WeakPolarHBondContact CB-SG 3.44Å; C232-C235 PolarHBondContact O-N 2.9Å; C232-C235 WeakPolarHBondContact SG-CB 3.14Å; C232-C235 CovalentContact SG-SG 2.02Å; C232-C235 PolarHBondContact SG-SG 2.79Å; C235-S237 PolarHBondContact O-N 2.78Å; C235-L238 HydrophobicContact CB-CB 4.17Å; C235-L238 HydrophobicContact CB-CD1 3.75Å; C235-L238 HydrophobicContact CB-CG 4.24Å
236D57.4Low79.7Confident166 Ų16686.3 Ų86.389%0.88845%0.45SS*.THydrogen-bonded Turntrans-61.18.1174.1-67.9-29.2000114.4
237S58.8Low79.8Confident107 Ų10781.3 Ų81.375%0.74843%0.428SS*.THydrogen-bonded Turntrans-153.27.9-165.74.60000116.8C235C235-S237 PolarHBondContact O-N 2.78Å
238L65.5Low80Confident78 Ų7880.7 Ų80.741%0.40842%0.424SS..  trans-107.822.9-173.6-80.5165.1000114.9C235 S240C235-L238 HydrophobicContact CB-CB 4.17Å; C235-L238 HydrophobicContact CB-CD1 3.75Å; C235-L238 HydrophobicContact CB-CG 4.24Å; L238-S240 PolarHBondContact O-N 2.04Å
239A74.5Confident80.4Confident43 Ų4379 Ų7936%0.35541%0.413SS..EExtended strand (participates in β ladder)trans-68.3117.4161.800000108L200 V228L200-A239 HydrophobicContact CB-CB 4.31Å; L200-A239 HydrophobicContact CD2-CB 3.59Å; L200-A239 WeakPolarHBondContact CD2-O 3.35Å; V228-A239 WeakPolarHBondContact O-CA 3.49Å
240S82Confident80.9Confident34 Ų3471.7 Ų71.724%0.23839%0.388CS..EExtended strand (participates in β ladder)trans-108.8138.2176.857.90000109.1V228 L238V228-S240 WeakPolarHBondContact CA-O 3.37Å; V228-S240 WeakPolarHBondContact CB-O 3.48Å; V228-S240 PolarHBondContact N-O 3.15Å; V228-S240 PolarHBondContact O-N 3.36Å; L238-S240 PolarHBondContact O-N 2.04Å
241V83.1Confident81.5Confident16 Ų1669.2 Ų69.210%0.09739%0.39CS..EExtended strand (participates in β ladder)trans-93.9141.9171.4179.10000109.3F184 L200 C203 K226 V227F184-V241 HydrophobicContact CB-CG2 4.36Å; F184-V241 HydrophobicContact CD1-CB 3.32Å; F184-V241 HydrophobicContact CD1-CG1 3.66Å; F184-V241 HydrophobicContact CD1-CG2 3.35Å; F184-V241 HydrophobicContact CE1-CB 3.28Å; F184-V241 HydrophobicContact CE1-CG1 3.65Å; F184-V241 HydrophobicContact CE1-CG2 3.87Å; F184-V241 HydrophobicContact CG-CB 4.2Å; F184-V241 HydrophobicContact CG-CG2 3.84Å; F184-V241 HydrophobicContact CZ-CB 4.02Å; L200-V241 HydrophobicContact CD1-CG2 3.66Å; L200-V241 HydrophobicContact CD2-CG2 3.53Å; L200-V241 HydrophobicContact CG-CG2 3.95Å; C203-V241 HydrophobicContact CB-CG1 4.45Å; C203-V241 WeakPolarHBondContact SG-CG1 3.26Å; K226-V241 CarbonylContact O-C 3.53Å; K226-V241 WeakPolarHBondContact O-CA 3.34Å; V227-V241 HydrophobicContact CG2-CG2 4.4Å
242Q89.8Confident82.6Confident99 Ų9963.9 Ų63.946%0.46336%0.361SS..EExtended strand (participates in β ladder)trans-124132.3172-66-179.2-13.900109.2K226 V228 T244K226-Q242 PolarHBondContact N-O 2.88Å; K226-Q242 PolarHBondContact O-N 2.85Å; V228-Q242 HydrophobicContact CG2-CG 4.17Å; Q242-T244 PolarHBondContact O-N 3.46Å
243H93.6Very high83.6Confident50 Ų5067.5 Ų67.523%0.23139%0.394CS..EExtended strand (participates in β ladder)trans-87.5100.1165.7-58.7-79.5000107.8Q183 Y216 F223Q183-H243 PolarHBondContact OE1-NE2 2.88Å; Y216-H243 AromaticContact CE1-ND1 3.68Å; Y216-H243 AromaticContact CZ-ND1 3.71Å; Y216-H243 PolarHBondContact OH-ND1 3.07Å; F223-H243 HydrophobicContact CD1-CB 4.09Å
244T94.3Very high85Confident49 Ų4962 Ų6230%0.30138%0.382SS..EExtended strand (participates in β ladder)trans-93.6125.8-177.3-53.60000109.3F223 Q224 Q242 V246F223-T244 CarbonylContact C-O 3.52Å; F223-T244 WeakPolarHBondContact CA-O 3.49Å; Q224-T244 PolarHBondContact N-O 3.31Å; Q224-T244 PolarHBondContact O-N 2.86Å; Q242-T244 PolarHBondContact O-N 3.46Å; T244-V246 HydrophobicContact CG2-CG1 4.31Å; T244-V246 PolarHBondContact O-N 2.76Å
245I96Very high86.6Confident49 Ų4957.2 Ų57.225%0.25137%0.369SS..EExtended strand (participates in β ladder)trans-71.7121.3171.3-54.6167.8000108F221 L222 F223 I288F221-I245 HydrophobicContact CB-CG2 4.16Å; F221-I245 HydrophobicContact CD1-CG2 4.27Å; L222-I245 CarbonylContact O-C 3.51Å; F223-I245 HydrophobicContact CD1-CG1 3.7Å; F223-I245 HydrophobicContact CE1-CD1 4Å; F223-I245 HydrophobicContact CE1-CG1 3.29Å; F223-I245 HydrophobicContact CZ-CD1 4.19Å; F223-I245 HydrophobicContact CZ-CG1 3.79Å; I245-I288 HydrophobicContact CB-CD1 3.8Å; I245-I288 HydrophobicContact CG2-CB 3.83Å; I245-I288 HydrophobicContact CG2-CD1 3.54Å; I245-I288 HydrophobicContact CG2-CG1 4.23Å; I245-I288 HydrophobicContact CG2-CG2 4.03Å; I245-I288 WeakPolarHBondContact O-CD1 3.37Å
246V97.1Very high88Confident36 Ų3659.3 Ų59.322%0.21838%0.377CS..EExtended strand (participates in β ladder)trans-114.7-6.2-176.8-64.80000113.3K215 L222 Q224 T244K215-V246 HydrophobicContact CD-CG2 4.43Å; L222-V246 HydrophobicContact CB-CG2 4.29Å; L222-V246 HydrophobicContact CD2-CG2 4.03Å; L222-V246 HydrophobicContact CG-CG2 3.81Å; L222-V246 WeakPolarHBondContact O-CG2 3.39Å; L222-V246 PolarHBondContact O-N 2.98Å; Q224-V246 HydrophobicContact CB-CB 4.42Å; Q224-V246 HydrophobicContact CB-CG1 3.57Å; Q224-V246 HydrophobicContact CB-CG2 3.95Å; T244-V246 HydrophobicContact CG2-CG1 4.31Å; T244-V246 PolarHBondContact O-N 2.76Å
247G98.1Very high89.8Confident0 Ų054.6 Ų54.60%036%0.357CS..EExtended strand (participates in β ladder)trans178.5-166.5178.400000113.1L222 Y260 C281L222-G247 PolarHBondContact N-O 2.84Å; L222-G247 PolarHBondContact O-N 2.02Å; G247-Y260 CarbonylContact C-O 3.47Å; G247-Y260 VanDerWaalsContact CA-O 3.24Å; G247-Y260 WeakPolarHBondContact CA-O 3.19Å; G247-C281 VanDerWaalsContact C-SG 3.6Å
248C98.3Very high91.6Very high0 Ų052.6 Ų52.60%034%0.337CS..EExtended strand (participates in β ladder)trans-115.6157.4176.5-60.20000109.2Y260 W266 C281 K290C248-Y260 PolarHBondContact N-O 3.37Å; C248-Y260 PolarHBondContact O-N 2.84Å; C248-W266 HydrophobicContact CB-CH2 3.63Å; C248-W266 HydrophobicContact CB-CZ2 4.28Å; C248-W266 HydrophobicContact CB-CZ3 4.4Å; C248-C281 HydrophobicContact CB-CB 3.7Å; C248-C281 WeakPolarHBondContact CB-SG 3.48Å; C248-C281 PolarHBondContact N-SG 2.93Å; C248-C281 VanDerWaalsContact SG-CA 3.56Å; C248-C281 WeakPolarHBondContact SG-CB 3.45Å; C248-C281 CovalentContact SG-SG 2.05Å; C248-C281 PolarHBondContact SG-SG 2.75Å; C248-K290 HydrophobicContact CB-CG 4.08Å
249T97.8Very high93.1Very high5 Ų551.7 Ų51.73%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-126.3145.4174.956.60000110.9S217 G220 F221 L222 M258 E259 K290S217-T249 WeakPolarHBondContact OG-CB 3.36Å; S217-T249 WeakPolarHBondContact OG-CG2 3.44Å; S217-T249 PolarHBondContact OG-OG1 2.85Å; G220-T249 VanDerWaalsContact CA-OG1 3.32Å; G220-T249 WeakPolarHBondContact CA-OG1 3.45Å; G220-T249 PolarHBondContact O-N 3.45Å; G220-T249 PolarHBondContact O-OG1 2.78Å; F221-T249 PolarHBondContact N-OG1 3.03Å; L222-T249 HydrophobicContact CB-CG2 3.79Å; L222-T249 HydrophobicContact CD1-CG2 4.02Å; L222-T249 HydrophobicContact CG-CG2 4.45Å; T249-M258 CarbonylContact C-O 3.48Å; T249-M258 WeakPolarHBondContact CA-O 3.25Å; T249-E259 HydrophobicContact CG2-CG 4.33Å; T249-K290 WeakPolarHBondContact O-CE 3.41Å; T249-K290 PolarHBondContact O-NZ 2.66Å
250S97Very high94.2Very high15 Ų1551.3 Ų51.311%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-129.2173.5171.3-161.90000110S257 M258 E268S250-S257 CarbonylContact O-C 3.53Å; S250-S257 WeakPolarHBondContact O-CA 3.45Å; S250-M258 PolarHBondContact N-O 2.86Å; S250-M258 PolarHBondContact O-N 3Å; S250-E268 VanDerWaalsContact CB-OE1 3.26Å; S250-E268 WeakPolarHBondContact CB-OE1 3Å; S250-E268 WeakPolarHBondContact OG-CG 3.41Å; S250-E268 PolarHBondContact OG-OE1 2.84Å
251T95.8Very high95Very high97 Ų9753.5 Ų53.560%0.59533%0.333SS*.EExtended strand (participates in β ladder)trans-115.7125.5175.5-560000108.1G255 N256T251-G255 VanDerWaalsContact CG2-C 3.49Å; T251-G255 VanDerWaalsContact CG2-CA 3.44Å; T251-N256 WeakPolarHBondContact CA-O 3.21Å
252D93.3Very high95.7Very high58 Ų5855.5 Ų55.531%0.3134%0.343SS..  trans-72.1177.1174.9739.6000111.6A254 G255 N256 M258D252-A254 PolarHBondContact O-N 3.13Å; D252-A254 VanDerWaalsContact O-N 3.13Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.16Å; D252-A254 PolarHBondContact OD1-N 2.82Å; D252-G255 PolarHBondContact O-N 3.15Å; D252-G255 VanDerWaalsContact O-N 3.09Å; D252-G255 PolarHBondContact OD1-N 3.47Å; D252-N256 PolarHBondContact N-O 3.49Å; D252-N256 PolarHBondContact OD1-N 3.07Å; D252-N256 PolarHBondContact OD1-ND2 2.72Å; D252-N256 WeakPolarHBondContact OD2-CB 3.49Å; D252-N256 PolarHBondContact OD2-ND2 2.82Å; D252-M258 HydrophobicContact CB-CG 4.04Å
253A91.7Very high96Very high120 Ų12052.9 Ų52.999%0.99234%0.342SS*.THydrogen-bonded Turntrans-62.8-17.9178.800000113.9
254A94.3Very high96.2Very high78 Ų7851.1 Ų51.165%0.64534%0.336SS*.THydrogen-bonded Turntrans-94.6-1.2178.700000113D252D252-A254 PolarHBondContact O-N 3.13Å; D252-A254 VanDerWaalsContact O-N 3.13Å; D252-A254 WeakPolarHBondContact OD1-CA 3.26Å; D252-A254 WeakPolarHBondContact OD1-CB 3.16Å; D252-A254 PolarHBondContact OD1-N 2.82Å
255G94Very high96.4Very high53 Ų5351.2 Ų51.255%0.54633%0.331SS..SBendtrans88.53.1-17800000114.4T251 D252T251-G255 VanDerWaalsContact CG2-C 3.49Å; T251-G255 VanDerWaalsContact CG2-CA 3.44Å; D252-G255 PolarHBondContact O-N 3.15Å; D252-G255 VanDerWaalsContact O-N 3.09Å; D252-G255 PolarHBondContact OD1-N 3.47Å
256N94.9Very high96.4Very high92 Ų9249.1 Ų49.149%0.49232%0.32SS..PPolyproline II helixtrans-78.5140.1179-51-61.4000110.8T251 D252 M258T251-N256 WeakPolarHBondContact CA-O 3.21Å; D252-N256 PolarHBondContact N-O 3.49Å; D252-N256 PolarHBondContact OD1-N 3.07Å; D252-N256 PolarHBondContact OD1-ND2 2.72Å; D252-N256 WeakPolarHBondContact OD2-CB 3.49Å; D252-N256 PolarHBondContact OD2-ND2 2.82Å; N256-M258 PolarHBondContact O-N 2.89Å
257S94.9Very high96.4Very high67 Ų6750.7 Ų50.747%0.46933%0.33SS..EExtended strand (participates in β ladder)trans-75.3118.1174.5-179.60000110.5S250S250-S257 CarbonylContact O-C 3.53Å; S250-S257 WeakPolarHBondContact O-CA 3.45Å
258M97.2Very high96.3Very high66 Ų6653 Ų5333%0.32534%0.341SS..EExtended strand (participates in β ladder)trans-97.4133.4174.1-63.4-61.8-73.500110.3T249 S250 D252 N256 Y260T249-M258 CarbonylContact C-O 3.48Å; T249-M258 WeakPolarHBondContact CA-O 3.25Å; S250-M258 PolarHBondContact N-O 2.86Å; S250-M258 PolarHBondContact O-N 3Å; D252-M258 HydrophobicContact CB-CG 4.04Å; N256-M258 PolarHBondContact O-N 2.89Å; M258-Y260 HydrophobicContact CB-CE2 3.7Å
259E97.9Very high96.1Very high59 Ų5958.2 Ų58.228%0.27637%0.365SS..EExtended strand (participates in β ladder)trans-101.5133.8-179.1-68.9-176.9-171.400111.9K215 L222 T249 Q370K215-E259 IonicContact NZ-OE2 3.61Å; L222-E259 HydrophobicContact CD1-CG 3.83Å; L222-E259 HydrophobicContact CD2-CB 3.95Å; L222-E259 HydrophobicContact CD2-CG 3.87Å; L222-E259 WeakPolarHBondContact CD2-OE2 3.07Å; L222-E259 HydrophobicContact CG-CG 4.45Å; T249-E259 HydrophobicContact CG2-CG 4.33Å; E259-Q370 VanDerWaalsContact CB-NE2 3.35Å; E259-Q370 PolarHBondContact O-NE2 2.85Å
260Y98Very high95.9Very high35 Ų3558.7 Ų58.714%0.13737%0.371CS..EExtended strand (participates in β ladder)trans-124.9116.9-179.8-61.1-77000110.2G247 C248 M258 A264 W266G247-Y260 CarbonylContact C-O 3.47Å; G247-Y260 VanDerWaalsContact CA-O 3.24Å; G247-Y260 WeakPolarHBondContact CA-O 3.19Å; C248-Y260 PolarHBondContact N-O 3.37Å; C248-Y260 PolarHBondContact O-N 2.84Å; M258-Y260 HydrophobicContact CB-CE2 3.7Å; Y260-A264 HydrophobicContact CD1-CB 4.37Å; Y260-W266 HydrophobicContact CD1-CB 3.92Å; Y260-W266 AromaticContact CD1-CD2 3.83Å; Y260-W266 HydrophobicContact CD1-CD2 3.83Å; Y260-W266 AromaticContact CD1-CE3 3.62Å; Y260-W266 HydrophobicContact CD1-CE3 3.62Å; Y260-W266 AromaticContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CZ3 4.41Å; Y260-W266 AromaticContact CD2-CD2 3.66Å; Y260-W266 HydrophobicContact CD2-CD2 3.66Å; Y260-W266 AromaticContact CD2-CE2 3.79Å; Y260-W266 AromaticContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CG 4.11Å; Y260-W266 HydrophobicContact CD2-CH2 4.34Å; Y260-W266 HydrophobicContact CD2-CZ2 4.14Å; Y260-W266 HydrophobicContact CD2-CZ3 4.2Å; Y260-W266 HydrophobicContact CE1-CB 3.32Å; Y260-W266 AromaticContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CE3 4.19Å; Y260-W266 AromaticContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE2-CB 4.34Å; Y260-W266 AromaticContact CE2-CD1 3.78Å; Y260-W266 AromaticContact CE2-CD2 3.77Å; Y260-W266 HydrophobicContact CE2-CD2 3.77Å; Y260-W266 AromaticContact CE2-CE2 3.9Å; Y260-W266 HydrophobicContact CE2-CE3 4.39Å; Y260-W266 AromaticContact CE2-CG 3.73Å; Y260-W266 HydrophobicContact CE2-CG 3.73Å; Y260-W266 AromaticContact CE2-NE1 3.88Å; Y260-W266 AromaticContact CG-CD2 3.68Å; Y260-W266 HydrophobicContact CG-CD2 3.68Å; Y260-W266 AromaticContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CE3 3.43Å; Y260-W266 VanDerWaalsContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CG 4.22Å; Y260-W266 HydrophobicContact CG-CH2 4.38Å; Y260-W266 AromaticContact CG-CZ3 3.82Å; Y260-W266 HydrophobicContact CG-CZ3 3.82Å; Y260-W266 AromaticContact CZ-CD1 3.7Å; Y260-W266 AromaticContact CZ-CD2 3.9Å; Y260-W266 AromaticContact CZ-CG 3.42Å; Y260-W266 VanDerWaalsContact CZ-CG 3.42Å
261P97.7Very high95.7Very high79 Ų7964.8 Ų64.851%0.51341%0.408SS..EExtended strand (participates in β ladder)trans-65.2162.9174.229-33.8000110.6G263 A264P261-G263 PolarHBondContact O-N 3.34Å; P261-A264 HydrophobicContact CG-CB 4.01Å; P261-A264 WeakPolarHBondContact O-CB 3.5Å; P261-A264 PolarHBondContact O-N 2.95Å
262I97.4Very high95.6Very high58 Ų5864.2 Ų64.230%0.29740%0.398SS..THydrogen-bonded Turntrans-58131.6175.2-57.3168.1000109.5A264 R283 I288I262-A264 VanDerWaalsContact C-N 3.34Å; I262-R283 HydrophobicContact CG2-CB 3.92Å; I262-I288 HydrophobicContact CD1-CD1 3.38Å; I262-I288 HydrophobicContact CD1-CG1 4.17Å; I262-I288 HydrophobicContact CG1-CD1 3.88Å; I262-I288 HydrophobicContact CG1-CG1 4.48Å
263G97.2Very high95.6Very high44 Ų4466.3 Ų66.345%0.45442%0.415SS..THydrogen-bonded Turntrans89-9.8-174.900000114.5P261 C281P261-G263 PolarHBondContact O-N 3.34Å; G263-C281 PolarHBondContact N-O 2.76Å
264A97.9Very high95.8Very high13 Ų1363.5 Ų63.511%0.10738%0.381CS..  trans-70.7147.7174.700000111.4Y260 P261 I262 W266 E280 C281Y260-A264 HydrophobicContact CD1-CB 4.37Å; P261-A264 HydrophobicContact CG-CB 4.01Å; P261-A264 WeakPolarHBondContact O-CB 3.5Å; P261-A264 PolarHBondContact O-N 2.95Å; I262-A264 VanDerWaalsContact C-N 3.34Å; A264-W266 WeakPolarHBondContact O-CZ3 3.41Å; A264-E280 WeakPolarHBondContact O-CA 3.06Å; A264-C281 PolarHBondContact O-N 3.4Å
265R97.4Very high95.9Very high52 Ų5260.2 Ų60.220%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-118.6139.8175.3-65.4175.4178.5-154.3-15.4110V278 I279 E280R265-V278 HydrophobicContact CB-CG1 4.48Å; R265-I279 CarbonylContact C-O 3.56Å; R265-I279 WeakPolarHBondContact CA-O 3.25Å; R265-E280 HydrophobicContact CG-CB 4.01Å; R265-E280 HydrophobicContact CG-CG 3.75Å; R265-E280 IonicContact CZ-OE1 3.01Å; R265-E280 IonicContact CZ-OE2 2.66Å; R265-E280 IonicContact NE-OE1 2.76Å; R265-E280 PolarHBondContact NE-OE1 2.95Å; R265-E280 IonicContact NE-OE2 3.77Å; R265-E280 IonicContact NH2-OE1 3.26Å; R265-E280 PolarHBondContact NH2-OE1 2.66Å; R265-E280 VanDerWaalsContact NH2-OE1 3.09Å; R265-E280 IonicContact NH2-OE2 3.21Å; R265-E280 PolarHBondContact NH2-OE2 3.1Å
266W97.1Very high96Very high5 Ų560.2 Ų60.22%0.01934%0.338CS..EExtended strand (participates in β ladder)trans-146.9171.3176.667.5100.5000111C248 Y260 A264 E268 V278 I279 C281 K290C248-W266 HydrophobicContact CB-CH2 3.63Å; C248-W266 HydrophobicContact CB-CZ2 4.28Å; C248-W266 HydrophobicContact CB-CZ3 4.4Å; Y260-W266 HydrophobicContact CD1-CB 3.92Å; Y260-W266 AromaticContact CD1-CD2 3.83Å; Y260-W266 HydrophobicContact CD1-CD2 3.83Å; Y260-W266 AromaticContact CD1-CE3 3.62Å; Y260-W266 HydrophobicContact CD1-CE3 3.62Å; Y260-W266 AromaticContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CG 3.98Å; Y260-W266 HydrophobicContact CD1-CZ3 4.41Å; Y260-W266 AromaticContact CD2-CD2 3.66Å; Y260-W266 HydrophobicContact CD2-CD2 3.66Å; Y260-W266 AromaticContact CD2-CE2 3.79Å; Y260-W266 AromaticContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CE3 3.86Å; Y260-W266 HydrophobicContact CD2-CG 4.11Å; Y260-W266 HydrophobicContact CD2-CH2 4.34Å; Y260-W266 HydrophobicContact CD2-CZ2 4.14Å; Y260-W266 HydrophobicContact CD2-CZ3 4.2Å; Y260-W266 HydrophobicContact CE1-CB 3.32Å; Y260-W266 AromaticContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CD2 3.94Å; Y260-W266 HydrophobicContact CE1-CE3 4.19Å; Y260-W266 AromaticContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE1-CG 3.59Å; Y260-W266 HydrophobicContact CE2-CB 4.34Å; Y260-W266 AromaticContact CE2-CD1 3.78Å; Y260-W266 AromaticContact CE2-CD2 3.77Å; Y260-W266 HydrophobicContact CE2-CD2 3.77Å; Y260-W266 AromaticContact CE2-CE2 3.9Å; Y260-W266 HydrophobicContact CE2-CE3 4.39Å; Y260-W266 AromaticContact CE2-CG 3.73Å; Y260-W266 HydrophobicContact CE2-CG 3.73Å; Y260-W266 AromaticContact CE2-NE1 3.88Å; Y260-W266 AromaticContact CG-CD2 3.68Å; Y260-W266 HydrophobicContact CG-CD2 3.68Å; Y260-W266 AromaticContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CE3 3.43Å; Y260-W266 VanDerWaalsContact CG-CE3 3.43Å; Y260-W266 HydrophobicContact CG-CG 4.22Å; Y260-W266 HydrophobicContact CG-CH2 4.38Å; Y260-W266 AromaticContact CG-CZ3 3.82Å; Y260-W266 HydrophobicContact CG-CZ3 3.82Å; Y260-W266 AromaticContact CZ-CD1 3.7Å; Y260-W266 AromaticContact CZ-CD2 3.9Å; Y260-W266 AromaticContact CZ-CG 3.42Å; Y260-W266 VanDerWaalsContact CZ-CG 3.42Å; A264-W266 WeakPolarHBondContact O-CZ3 3.41Å; W266-E268 PolarHBondContact NE1-OE1 2.91Å; W266-V278 CarbonylContact O-C 3.44Å; W266-V278 WeakPolarHBondContact O-CA 3.27Å; W266-I279 HydrophobicContact CD2-CB 4.31Å; W266-I279 HydrophobicContact CH2-CB 4.38Å; W266-I279 HydrophobicContact CH2-CG2 3.61Å; W266-I279 HydrophobicContact CZ2-CB 3.94Å; W266-I279 HydrophobicContact CZ2-CG2 3.37Å; W266-I279 HydrophobicContact CZ3-CG2 4.29Å; W266-I279 PolarHBondContact N-O 2.81Å; W266-I279 PolarHBondContact O-N 2.05Å; W266-C281 HydrophobicContact CH2-CB 3.91Å; W266-C281 HydrophobicContact CZ3-CB 3.71Å; W266-K290 HydrophobicContact CH2-CG 4.3Å; W266-K290 HydrophobicContact CZ2-CD 4.22Å; W266-K290 HydrophobicContact CZ2-CG 4.3Å
267V95.8Very high96.1Very high69 Ų6957.5 Ų57.542%0.41832%0.322SS..EExtended strand (participates in β ladder)trans-109.9126.1-179.3-176.80000108.8K276 F277 V278V267-K276 HydrophobicContact CG1-CB 3.72Å; V267-K276 HydrophobicContact CG1-CD 4.16Å; V267-K276 HydrophobicContact CG1-CG 4.23Å; V267-F277 CarbonylContact C-O 3.46Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.45Å; V267-V278 HydrophobicContact CG2-CG2 4.46Å
268E95.8Very high96.2Very high49 Ų4954.5 Ų54.523%0.22930%0.3CS..EExtended strand (participates in β ladder)trans-108.4144.4169.2-73.5-176.6-168.600110.3S250 W266 K276 F277 I279 K290S250-E268 VanDerWaalsContact CB-OE1 3.26Å; S250-E268 WeakPolarHBondContact CB-OE1 3Å; S250-E268 WeakPolarHBondContact OG-CG 3.41Å; S250-E268 PolarHBondContact OG-OE1 2.84Å; W266-E268 PolarHBondContact NE1-OE1 2.91Å; E268-K276 CarbonylContact O-C 3.5Å; E268-K276 WeakPolarHBondContact O-CA 3.43Å; E268-F277 PolarHBondContact N-O 3.41Å; E268-F277 PolarHBondContact O-N 3.16Å; E268-I279 HydrophobicContact CB-CD1 3.75Å; E268-I279 HydrophobicContact CG-CD1 3.61Å; E268-I279 WeakPolarHBondContact OE2-CD1 3.46Å; E268-K290 IonicContact OE1-NZ 3.55Å
269Q94.7Very high96.2Very high109 Ų10951.9 Ų51.951%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-73.7131.2175.8-171.160.853.100109.5Q272 P273 F275Q269-Q272 PolarHBondContact NE2-O 2.8Å; Q269-P273 PolarHBondContact NE2-O 3.29Å; Q269-F275 PolarHBondContact NE2-O 3.12Å
270G93.3Very high96.2Very high15 Ų1550.3 Ų50.316%0.15528%0.28CS..  trans-78.1-174.4172.900000112.5Q272 F275G270-Q272 PolarHBondContact O-N 3.15Å; G270-F275 WeakPolarHBondContact CA-O 3.28Å; G270-F275 PolarHBondContact N-O 2.83Å
271T92.8Very high96.2Very high143 Ų14348.7 Ų48.788%0.87727%0.274SS*.SBendtrans-63.7-21.5178.8510000113.7
272Q94.4Very high96.2Very high84 Ų8447 Ų4739%0.39326%0.26SS..SBendtrans-119145.8175.7-52.1-176.910.600110.1Q269 G270 Q274 F275Q269-Q272 PolarHBondContact NE2-O 2.8Å; G270-Q272 PolarHBondContact O-N 3.15Å; Q272-Q274 HydrophobicContact CB-CG 4.45Å; Q272-Q274 PolarHBondContact O-N 3.31Å; Q272-Q274 VanDerWaalsContact O-N 3.17Å; Q272-F275 HydrophobicContact CB-CD2 3.54Å; Q272-F275 HydrophobicContact CB-CE2 3.94Å; Q272-F275 HydrophobicContact CB-CG 4.23Å; Q272-F275 HydrophobicContact CG-CD2 3.74Å; Q272-F275 HydrophobicContact CG-CE2 3.8Å; Q272-F275 PolarHBondContact O-N 3.28Å
273P94.2Very high96.2Very high103 Ų10351.5 Ų51.567%0.66927%0.273SS*.THydrogen-bonded Turntrans-54.2-35.3-177.7-28.535.8000114.8Q269 F275Q269-P273 PolarHBondContact NE2-O 3.29Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.05Å
274Q95Very high96.1Very high61 Ų6156.2 Ų56.229%0.28528%0.281SS..THydrogen-bonded Turntrans-76.6-14.6178.863.8-87.830.500114.1Q272 F297 E298Q272-Q274 HydrophobicContact CB-CG 4.45Å; Q272-Q274 PolarHBondContact O-N 3.31Å; Q272-Q274 VanDerWaalsContact O-N 3.17Å; Q274-F297 HydrophobicContact CB-CD2 4.29Å; Q274-F297 HydrophobicContact CB-CE2 4.05Å; Q274-F297 HydrophobicContact CG-CD2 4.16Å; Q274-F297 HydrophobicContact CG-CE2 3.71Å; Q274-F297 WeakPolarHBondContact O-CA 3.28Å; Q274-E298 WeakPolarHBondContact CB-O 3.28Å; Q274-E298 PolarHBondContact O-N 3.18Å; Q274-E298 VanDerWaalsContact O-N 3.09Å
275F95.7Very high95.9Very high9 Ų958.5 Ų58.54%0.03931%0.306CS..EExtended strand (participates in β ladder)trans-101.4125-179.4-59.6-34.7000110.2Q269 G270 Q272 P273 F297 V331 L333Q269-F275 PolarHBondContact NE2-O 3.12Å; G270-F275 WeakPolarHBondContact CA-O 3.28Å; G270-F275 PolarHBondContact N-O 2.83Å; Q272-F275 HydrophobicContact CB-CD2 3.54Å; Q272-F275 HydrophobicContact CB-CE2 3.94Å; Q272-F275 HydrophobicContact CB-CG 4.23Å; Q272-F275 HydrophobicContact CG-CD2 3.74Å; Q272-F275 HydrophobicContact CG-CE2 3.8Å; Q272-F275 PolarHBondContact O-N 3.28Å; P273-F275 VanDerWaalsContact C-N 3.31Å; P273-F275 PolarHBondContact O-N 3.05Å; F275-F297 AromaticContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CE2 4.15Å; F275-F297 AromaticContact CE1-CD2 3.45Å; F275-F297 HydrophobicContact CE1-CD2 3.45Å; F275-F297 VanDerWaalsContact CE1-CD2 3.45Å; F275-F297 AromaticContact CE1-CE2 3.58Å; F275-F297 HydrophobicContact CE1-CE2 3.58Å; F275-V331 HydrophobicContact CB-CG2 4.44Å; F275-V331 HydrophobicContact CD1-CB 3.92Å; F275-V331 HydrophobicContact CD1-CG1 3.53Å; F275-V331 HydrophobicContact CD1-CG2 4.37Å; F275-V331 HydrophobicContact CD2-CB 4.32Å; F275-V331 HydrophobicContact CE1-CB 4.16Å; F275-V331 HydrophobicContact CE1-CG1 3.48Å; F275-V331 VanDerWaalsContact CE1-CG1 3.48Å; F275-V331 HydrophobicContact CG-CB 4.04Å; F275-V331 HydrophobicContact CG-CG1 4.18Å; F275-V331 HydrophobicContact CG-CG2 4.4Å; F275-V331 HydrophobicContact CZ-CB 4.48Å; F275-V331 HydrophobicContact CZ-CG1 4.06Å; F275-L333 HydrophobicContact CZ-CB 4.5Å
276K96.4Very high95.6Very high53 Ų5364.3 Ų64.323%0.2334%0.341CS..EExtended strand (participates in β ladder)trans-130.7150.6176.7-66.3171.9-173.8168.70108.5V267 E268 S296 E298V267-K276 HydrophobicContact CG1-CB 3.72Å; V267-K276 HydrophobicContact CG1-CD 4.16Å; V267-K276 HydrophobicContact CG1-CG 4.23Å; E268-K276 CarbonylContact O-C 3.5Å; E268-K276 WeakPolarHBondContact O-CA 3.43Å; K276-S296 PolarHBondContact N-O 2.89Å; K276-S296 PolarHBondContact O-N 2.8Å; K276-S296 VanDerWaalsContact O-O 3.08Å; K276-E298 IonicContact NZ-OE2 2.78Å; K276-E298 PolarHBondContact NZ-OE2 2.95Å
277F96.9Very high95.5Very high35 Ų3570.6 Ų70.615%0.15437%0.371CS..EExtended strand (participates in β ladder)trans-118.7127.6177.8-62.6-75.5000109.6V267 E268 I279 V292 V331V267-F277 CarbonylContact C-O 3.46Å; V267-F277 VanDerWaalsContact CA-O 3.31Å; V267-F277 WeakPolarHBondContact CA-O 3.45Å; E268-F277 PolarHBondContact N-O 3.41Å; E268-F277 PolarHBondContact O-N 3.16Å; F277-I279 HydrophobicContact CB-CG1 4.24Å; F277-V292 HydrophobicContact CB-CG1 4.23Å; F277-V292 HydrophobicContact CB-CG2 4.37Å; F277-V292 HydrophobicContact CD1-CG1 3.78Å; F277-V292 HydrophobicContact CD1-CG2 4.41Å; F277-V292 HydrophobicContact CG-CG1 4.41Å; F277-V331 HydrophobicContact CE1-CG2 3.71Å; F277-V331 HydrophobicContact CZ-CG2 4Å
278V97.2Very high95.5Very high3 Ų368 Ų682%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-82.7115.4166.2-173.50000107.3R265 W266 V267 V293 Q294 L305 L365R265-V278 HydrophobicContact CB-CG1 4.48Å; W266-V278 CarbonylContact O-C 3.44Å; W266-V278 WeakPolarHBondContact O-CA 3.27Å; V267-V278 HydrophobicContact CG2-CG2 4.46Å; V278-V293 HydrophobicContact CB-CG2 4.18Å; V278-V293 HydrophobicContact CG1-CG2 3.8Å; V278-V293 WeakPolarHBondContact O-CG2 3.24Å; V278-V293 PolarHBondContact O-N 2.9Å; V278-Q294 HydrophobicContact CB-CB 3.92Å; V278-Q294 HydrophobicContact CG2-CB 3.99Å; V278-Q294 PolarHBondContact N-O 3.45Å; V278-Q294 PolarHBondContact O-N 3.08Å; V278-L305 HydrophobicContact CG2-CD1 3.87Å; V278-L365 HydrophobicContact CG1-CD2 3.98Å
279I97.1Very high95.5Very high11 Ų1168.6 Ų68.66%0.05636%0.357CS..EExtended strand (participates in β ladder)trans-108143-179.3-60.9172.4000108.8R265 W266 E268 F277 K290 Q291 V292R265-I279 CarbonylContact C-O 3.56Å; R265-I279 WeakPolarHBondContact CA-O 3.25Å; W266-I279 HydrophobicContact CD2-CB 4.31Å; W266-I279 HydrophobicContact CH2-CB 4.38Å; W266-I279 HydrophobicContact CH2-CG2 3.61Å; W266-I279 HydrophobicContact CZ2-CB 3.94Å; W266-I279 HydrophobicContact CZ2-CG2 3.37Å; W266-I279 HydrophobicContact CZ3-CG2 4.29Å; W266-I279 PolarHBondContact N-O 2.81Å; W266-I279 PolarHBondContact O-N 2.05Å; E268-I279 HydrophobicContact CB-CD1 3.75Å; E268-I279 HydrophobicContact CG-CD1 3.61Å; E268-I279 WeakPolarHBondContact OE2-CD1 3.46Å; F277-I279 HydrophobicContact CB-CG1 4.24Å; I279-K290 HydrophobicContact CG2-CB 3.93Å; I279-K290 HydrophobicContact CG2-CG 4.45Å; I279-Q291 CarbonylContact C-O 3.46Å; I279-Q291 WeakPolarHBondContact CA-O 3.42Å; I279-V292 HydrophobicContact CG1-CG2 4.23Å
280E97.7Very high95.6Very high27 Ų2766.9 Ų66.913%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-121.3135.1174.5-167.6166.8-148.800110A264 R265 L282 Q291 V293A264-E280 WeakPolarHBondContact O-CA 3.06Å; R265-E280 HydrophobicContact CG-CB 4.01Å; R265-E280 HydrophobicContact CG-CG 3.75Å; R265-E280 IonicContact CZ-OE1 3.01Å; R265-E280 IonicContact CZ-OE2 2.66Å; R265-E280 IonicContact NE-OE1 2.76Å; R265-E280 PolarHBondContact NE-OE1 2.95Å; R265-E280 IonicContact NE-OE2 3.77Å; R265-E280 IonicContact NH2-OE1 3.26Å; R265-E280 PolarHBondContact NH2-OE1 2.66Å; R265-E280 VanDerWaalsContact NH2-OE1 3.09Å; R265-E280 IonicContact NH2-OE2 3.21Å; R265-E280 PolarHBondContact NH2-OE2 3.1Å; E280-L282 HydrophobicContact CB-CD1 4.39Å; E280-L282 HydrophobicContact CB-CD2 4.44Å; E280-L282 HydrophobicContact CB-CG 4.08Å; E280-L282 HydrophobicContact CG-CD1 4.4Å; E280-L282 HydrophobicContact CG-CD2 3.6Å; E280-L282 HydrophobicContact CG-CG 3.76Å; E280-L282 PolarHBondContact O-N 2.95Å; E280-Q291 PolarHBondContact N-O 3.28Å; E280-Q291 PolarHBondContact O-N 2.82Å; E280-V293 HydrophobicContact CB-CG1 3.64Å; E280-V293 HydrophobicContact CB-CG2 4.07Å; E280-V293 WeakPolarHBondContact OE2-CG1 3.39Å
281C98.4Very high95.8Very high0 Ų068.5 Ų68.50%035%0.351CS..EExtended strand (participates in β ladder)trans-85101173.2-167.80000109.2G247 C248 G263 A264 W266G247-C281 VanDerWaalsContact C-SG 3.6Å; C248-C281 HydrophobicContact CB-CB 3.7Å; C248-C281 WeakPolarHBondContact CB-SG 3.48Å; C248-C281 PolarHBondContact N-SG 2.93Å; C248-C281 VanDerWaalsContact SG-CA 3.56Å; C248-C281 WeakPolarHBondContact SG-CB 3.45Å; C248-C281 CovalentContact SG-SG 2.05Å; C248-C281 PolarHBondContact SG-SG 2.75Å; G263-C281 PolarHBondContact N-O 2.76Å; A264-C281 PolarHBondContact O-N 3.4Å; W266-C281 HydrophobicContact CH2-CB 3.91Å; W266-C281 HydrophobicContact CZ3-CB 3.71Å
282L97.5Very high96Very high44 Ų4463.1 Ų63.123%0.2332%0.318CS..EExtended strand (participates in β ladder)trans-108.6139.3-171.7-69.1173.8000111.7E280 I288 Q289 Q291E280-L282 HydrophobicContact CB-CD1 4.39Å; E280-L282 HydrophobicContact CB-CD2 4.44Å; E280-L282 HydrophobicContact CB-CG 4.08Å; E280-L282 HydrophobicContact CG-CD1 4.4Å; E280-L282 HydrophobicContact CG-CD2 3.6Å; E280-L282 HydrophobicContact CG-CG 3.76Å; E280-L282 PolarHBondContact O-N 2.95Å; L282-I288 WeakPolarHBondContact O-CA 3.42Å; L282-Q289 HydrophobicContact CB-CG 4.34Å; L282-Q289 PolarHBondContact N-O 2.91Å; L282-Q289 PolarHBondContact O-N 2.83Å; L282-Q291 HydrophobicContact CD1-CB 3.9Å; L282-Q291 HydrophobicContact CD1-CG 4.4Å
283R97.4Very high96.1Very high153 Ų15360.2 Ų60.258%0.57731%0.306SS*.EExtended strand (participates in β ladder)trans-93.5121.5167.9-179.7177.6-72.6167.5-5.1109.5I262 G285 E287 I288I262-R283 HydrophobicContact CG2-CB 3.92Å; R283-G285 VanDerWaalsContact CG-O 3.3Å; R283-G285 WeakPolarHBondContact CG-O 3.06Å; R283-E287 CarbonylContact C-O 3.56Å; R283-E287 WeakPolarHBondContact CA-O 3.47Å; R283-I288 HydrophobicContact CB-CG1 4.32Å; R283-I288 HydrophobicContact CG-CG1 4.45Å
284K95.6Very high96.2Very high142 Ų14255.8 Ų55.862%0.61728%0.277SS*.EExtended strand (participates in β ladder)trans-120.395.9175.4-168.5-179.3178.4-170.30108.7N286 E287K284-N286 PolarHBondContact O-N 2.89Å; K284-E287 PolarHBondContact N-O 2.8Å; K284-E287 PolarHBondContact O-N 3.47Å
285G94Very high96.3Very high61 Ų6153 Ų5363%0.62926%0.264SS*.THydrogen-bonded Turntrans66.1-122.5-170.400000111.1R283R283-G285 VanDerWaalsContact CG-O 3.3Å; R283-G285 WeakPolarHBondContact CG-O 3.06Å
286N91.6Very high96.3Very high174 Ų17453.9 Ų53.993%0.9327%0.271SS*.THydrogen-bonded Turntrans-91.6-2.2177.8-67.9-17.4000113.3K284K284-N286 PolarHBondContact O-N 2.89Å
287E94Very high96.2Very high138 Ų13852.1 Ų52.165%0.64526%0.264SS*.EExtended strand (participates in β ladder)trans-99.6147.3-179.6-65.1178.517500110.5R283 K284R283-E287 CarbonylContact C-O 3.56Å; R283-E287 WeakPolarHBondContact CA-O 3.47Å; K284-E287 PolarHBondContact N-O 2.8Å; K284-E287 PolarHBondContact O-N 3.47Å
288I96.3Very high96.1Very high14 Ų1453.7 Ų53.77%0.07227%0.272CS..EExtended strand (participates in β ladder)trans-115131.4169.9-69.9169.7000106.6F221 I245 I262 L282 R283F221-I288 HydrophobicContact CD1-CG2 4.2Å; F221-I288 HydrophobicContact CE1-CG2 4.27Å; F221-I288 WeakPolarHBondContact CE1-O 3.42Å; I245-I288 HydrophobicContact CB-CD1 3.8Å; I245-I288 HydrophobicContact CG2-CB 3.83Å; I245-I288 HydrophobicContact CG2-CD1 3.54Å; I245-I288 HydrophobicContact CG2-CG1 4.23Å; I245-I288 HydrophobicContact CG2-CG2 4.03Å; I245-I288 WeakPolarHBondContact O-CD1 3.37Å; I262-I288 HydrophobicContact CD1-CD1 3.38Å; I262-I288 HydrophobicContact CD1-CG1 4.17Å; I262-I288 HydrophobicContact CG1-CD1 3.88Å; I262-I288 HydrophobicContact CG1-CG1 4.48Å; L282-I288 WeakPolarHBondContact O-CA 3.42Å; R283-I288 HydrophobicContact CB-CG1 4.32Å; R283-I288 HydrophobicContact CG-CG1 4.45Å
289Q96Very high96Very high61 Ų6155.4 Ų55.429%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-133146.7-17761.9178.419.700110.4L282L282-Q289 HydrophobicContact CB-CG 4.34Å; L282-Q289 PolarHBondContact N-O 2.91Å; L282-Q289 PolarHBondContact O-N 2.83Å
290K96.7Very high95.9Very high73 Ų7360.5 Ų60.532%0.31732%0.32SS..EExtended strand (participates in β ladder)trans-82.5125.3162.6-65.5-175.5-178.3-174.10108.3G220 C248 T249 W266 E268 I279G220-K290 WeakPolarHBondContact O-CE 3.36Å; C248-K290 HydrophobicContact CB-CG 4.08Å; T249-K290 WeakPolarHBondContact O-CE 3.41Å; T249-K290 PolarHBondContact O-NZ 2.66Å; W266-K290 HydrophobicContact CH2-CG 4.3Å; W266-K290 HydrophobicContact CZ2-CD 4.22Å; W266-K290 HydrophobicContact CZ2-CG 4.3Å; E268-K290 IonicContact OE1-NZ 3.55Å; I279-K290 HydrophobicContact CG2-CB 3.93Å; I279-K290 HydrophobicContact CG2-CG 4.45Å
291Q96.5Very high95.7Very high49 Ų4964.9 Ų64.923%0.22934%0.341CS..EExtended strand (participates in β ladder)trans-123.4127.5176.9-175169.4-6.800110.1I279 E280 L282 V293I279-Q291 CarbonylContact C-O 3.46Å; I279-Q291 WeakPolarHBondContact CA-O 3.42Å; E280-Q291 PolarHBondContact N-O 3.28Å; E280-Q291 PolarHBondContact O-N 2.82Å; L282-Q291 HydrophobicContact CD1-CB 3.9Å; L282-Q291 HydrophobicContact CD1-CG 4.4Å; Q291-V293 HydrophobicContact CG-CG1 4.38Å; Q291-V293 PolarHBondContact O-N 2.8Å
292V96.9Very high95.4Very high30 Ų3066.3 Ų66.318%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-67.4114.8165.8179.30000107.6F277 I279 V329F277-V292 HydrophobicContact CB-CG1 4.23Å; F277-V292 HydrophobicContact CB-CG2 4.37Å; F277-V292 HydrophobicContact CD1-CG1 3.78Å; F277-V292 HydrophobicContact CD1-CG2 4.41Å; F277-V292 HydrophobicContact CG-CG1 4.41Å; I279-V292 HydrophobicContact CG1-CG2 4.23Å; V292-V329 HydrophobicContact CB-CB 3.92Å; V292-V329 HydrophobicContact CB-CG1 4.31Å; V292-V329 HydrophobicContact CB-CG2 3.96Å; V292-V329 HydrophobicContact CG1-CB 3.92Å; V292-V329 HydrophobicContact CG1-CG1 3.74Å; V292-V329 HydrophobicContact CG1-CG2 4.26Å; V292-V329 HydrophobicContact CG2-CB 4.27Å
293V96.6Very high95.2Very high23 Ų2370.8 Ų70.814%0.13937%0.373CS..EExtended strand (participates in β ladder)trans-100.4-24.6179.7-67.50000112.3V278 E280 Q291 P308V278-V293 HydrophobicContact CB-CG2 4.18Å; V278-V293 HydrophobicContact CG1-CG2 3.8Å; V278-V293 WeakPolarHBondContact O-CG2 3.24Å; V278-V293 PolarHBondContact O-N 2.9Å; E280-V293 HydrophobicContact CB-CG1 3.64Å; E280-V293 HydrophobicContact CB-CG2 4.07Å; E280-V293 WeakPolarHBondContact OE2-CG1 3.39Å; Q291-V293 HydrophobicContact CG-CG1 4.38Å; Q291-V293 PolarHBondContact O-N 2.8Å; V293-P308 WeakPolarHBondContact O-CD 3.49Å
294Q97Very high95Very high10 Ų1063.7 Ų63.75%0.04735%0.347CS..EExtended strand (participates in β ladder)trans-149.6148.8174-52-177.6-64.100111.1V278 L305 L306 D307V278-Q294 HydrophobicContact CB-CB 3.92Å; V278-Q294 HydrophobicContact CG2-CB 3.99Å; V278-Q294 PolarHBondContact N-O 3.45Å; V278-Q294 PolarHBondContact O-N 3.08Å; Q294-L305 HydrophobicContact CB-CD1 3.7Å; Q294-L305 HydrophobicContact CB-CG 4.14Å; Q294-L305 HydrophobicContact CG-CD1 4.45Å; Q294-L305 HydrophobicContact CG-CG 4.49Å; Q294-L306 CarbonylContact C-O 3.57Å; Q294-L306 VanDerWaalsContact CA-O 3.23Å; Q294-L306 WeakPolarHBondContact CA-O 3.29Å; Q294-D307 WeakPolarHBondContact CG-OD1 3.43Å; Q294-D307 PolarHBondContact NE2-OD1 3.28Å
295C97.3Very high95Very high2 Ų260 Ų601%0.01433%0.333CS..EExtended strand (participates in β ladder)trans-95.5133.1163.6-59.30000109.2L305 L306 C321 V329 V331C295-L305 CarbonylContact O-C 3.56Å; C295-L305 WeakPolarHBondContact O-CA 3.42Å; C295-L306 PolarHBondContact N-O 2.92Å; C295-L306 PolarHBondContact O-N 2.99Å; C295-C321 HydrophobicContact CB-CB 3.56Å; C295-C321 WeakPolarHBondContact CB-SG 3.48Å; C295-C321 VanDerWaalsContact SG-CA 3.59Å; C295-C321 WeakPolarHBondContact SG-CB 3.37Å; C295-C321 CovalentContact SG-SG 2.03Å; C295-C321 PolarHBondContact SG-SG 3.05Å; C295-V329 VanDerWaalsContact SG-CG1 3.58Å; C295-V331 HydrophobicContact CB-CG2 3.75Å
296S95.3Very high95.1Very high29 Ų2957.4 Ų57.420%0.20331%0.305CS..EExtended strand (participates in β ladder)trans-112.1131.7174.4176.40000109.4K276 A304K276-S296 PolarHBondContact N-O 2.89Å; K276-S296 PolarHBondContact O-N 2.8Å; K276-S296 VanDerWaalsContact O-O 3.08Å; S296-A304 CarbonylContact C-O 3.59Å; S296-A304 WeakPolarHBondContact CA-O 3.38Å
297F94.9Very high95.2Very high15 Ų1551.7 Ų51.77%0.06628%0.275CS..EExtended strand (participates in β ladder)trans-124.3134178176.1-98.7000110Q274 F275 S299 K303 A304 V314 I319Q274-F297 HydrophobicContact CB-CD2 4.29Å; Q274-F297 HydrophobicContact CB-CE2 4.05Å; Q274-F297 HydrophobicContact CG-CD2 4.16Å; Q274-F297 HydrophobicContact CG-CE2 3.71Å; Q274-F297 WeakPolarHBondContact O-CA 3.28Å; F275-F297 AromaticContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CD2 3.62Å; F275-F297 HydrophobicContact CD1-CE2 4.15Å; F275-F297 AromaticContact CE1-CD2 3.45Å; F275-F297 HydrophobicContact CE1-CD2 3.45Å; F275-F297 VanDerWaalsContact CE1-CD2 3.45Å; F275-F297 AromaticContact CE1-CE2 3.58Å; F275-F297 HydrophobicContact CE1-CE2 3.58Å; F297-S299 VanDerWaalsContact CE1-OG 3.28Å; F297-S299 WeakPolarHBondContact CE1-OG 3.33Å; F297-K303 CarbonylContact O-C 3.58Å; F297-K303 VanDerWaalsContact O-CA 3.24Å; F297-K303 WeakPolarHBondContact O-CA 3.43Å; F297-A304 HydrophobicContact CB-CB 4.44Å; F297-A304 PolarHBondContact N-O 2.66Å; F297-A304 PolarHBondContact O-N 2.8Å; F297-V314 HydrophobicContact CD1-CG1 4.32Å; F297-V314 HydrophobicContact CE1-CB 4.41Å; F297-V314 HydrophobicContact CE1-CG1 4.07Å; F297-I319 HydrophobicContact CB-CD1 4.1Å; F297-I319 HydrophobicContact CB-CG2 4.38Å; F297-I319 HydrophobicContact CD1-CD1 3.02Å; F297-I319 HydrophobicContact CD2-CD1 3.72Å; F297-I319 HydrophobicContact CE1-CD1 3.05Å; F297-I319 HydrophobicContact CE1-CG1 4.48Å; F297-I319 HydrophobicContact CE2-CD1 3.76Å; F297-I319 HydrophobicContact CG-CD1 3.34Å; F297-I319 HydrophobicContact CG-CG2 4.44Å; F297-I319 HydrophobicContact CZ-CD1 3.43Å; F297-I319 VanDerWaalsContact CZ-CD1 3.43Å
298E94.5Very high95.2Very high69 Ų6946.4 Ų46.432%0.32225%0.252SS..EExtended strand (participates in β ladder)trans-130.5119.4179.3-177.3163.4-152.600110.2Q274 K276 K303Q274-E298 WeakPolarHBondContact CB-O 3.28Å; Q274-E298 PolarHBondContact O-N 3.18Å; Q274-E298 VanDerWaalsContact O-N 3.09Å; K276-E298 IonicContact NZ-OE2 2.78Å; K276-E298 PolarHBondContact NZ-OE2 2.95Å; E298-K303 HydrophobicContact CB-CG 4.5Å; E298-K303 HydrophobicContact CG-CD 4.37Å; E298-K303 HydrophobicContact CG-CG 4.15Å; E298-K303 WeakPolarHBondContact OE1-CE 3.09Å; E298-K303 IonicContact OE1-NZ 2.87Å; E298-K303 PolarHBondContact OE1-NZ 2.89Å
299S94.1Very high95Very high38 Ų3846.3 Ų46.327%0.26626%0.255SS..EExtended strand (participates in β ladder)trans-137.9172.8177.668.70000111.4F297 H301 G302F297-S299 VanDerWaalsContact CE1-OG 3.28Å; F297-S299 WeakPolarHBondContact CE1-OG 3.33Å; S299-H301 PolarHBondContact O-N 2.87Å; S299-H301 PolarHBondContact OG-N 2.88Å; S299-G302 PolarHBondContact N-O 3Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-G302 VanDerWaalsContact O-N 3.12Å; S299-G302 PolarHBondContact OG-N 2.89Å; S299-G302 PolarHBondContact OG-O 3.29Å; S299-G302 VanDerWaalsContact OG-O 3.11Å
300S95Very high94.9Very high119 Ų11943.6 Ų43.683%0.83224%0.242SC*.THydrogen-bonded Turntrans-59.1-25.9170.253.80000113.4G302S300-G302 VanDerWaalsContact C-N 3.34Å
301H94.2Very high94.7Very high119 Ų11940.2 Ų40.255%0.55123%0.228SC*.THydrogen-bonded Turntrans-85.3-6178.8-61.2-61.1000113.8S299 V314S299-H301 PolarHBondContact O-N 2.87Å; S299-H301 PolarHBondContact OG-N 2.88Å; H301-V314 HydrophobicContact CB-CG1 4.21Å
302G92.8Very high94.5Very high29 Ų2942.3 Ų42.330%0.29923%0.234SC..EExtended strand (participates in β ladder)trans135.8-178.2178.300000113.7S299 S300S299-G302 PolarHBondContact N-O 3Å; S299-G302 PolarHBondContact O-N 3.22Å; S299-G302 VanDerWaalsContact O-N 3.12Å; S299-G302 PolarHBondContact OG-N 2.89Å; S299-G302 PolarHBondContact OG-O 3.29Å; S299-G302 VanDerWaalsContact OG-O 3.11Å; S300-G302 VanDerWaalsContact C-N 3.34Å
303K93.1Very high94.3Very high139 Ų13945.2 Ų45.260%0.60424%0.244SC*.EExtended strand (participates in β ladder)trans-111.2141.8178.8-55.8-173.1-171.4-159.40110.2F297 E298F297-K303 CarbonylContact O-C 3.58Å; F297-K303 VanDerWaalsContact O-CA 3.24Å; F297-K303 WeakPolarHBondContact O-CA 3.43Å; E298-K303 HydrophobicContact CB-CG 4.5Å; E298-K303 HydrophobicContact CG-CD 4.37Å; E298-K303 HydrophobicContact CG-CG 4.15Å; E298-K303 WeakPolarHBondContact OE1-CE 3.09Å; E298-K303 IonicContact OE1-NZ 2.87Å; E298-K303 PolarHBondContact OE1-NZ 2.89Å
304A93.3Very high94.1Very high4 Ų444.7 Ų44.73%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-132.9140173.900000110.7S296 F297 V314S296-A304 CarbonylContact C-O 3.59Å; S296-A304 WeakPolarHBondContact CA-O 3.38Å; F297-A304 HydrophobicContact CB-CB 4.44Å; F297-A304 PolarHBondContact N-O 2.66Å; F297-A304 PolarHBondContact O-N 2.8Å; A304-V314 HydrophobicContact CB-CG2 3.68Å
305L95.1Very high93.8Very high64 Ų6446.3 Ų46.334%0.33526%0.26SS..EExtended strand (participates in β ladder)trans-122.3122.9172.9-172.668.8000107.2V278 Q294 C295 L365V278-L305 HydrophobicContact CG2-CD1 3.87Å; Q294-L305 HydrophobicContact CB-CD1 3.7Å; Q294-L305 HydrophobicContact CB-CG 4.14Å; Q294-L305 HydrophobicContact CG-CD1 4.45Å; Q294-L305 HydrophobicContact CG-CG 4.49Å; C295-L305 CarbonylContact O-C 3.56Å; C295-L305 WeakPolarHBondContact O-CA 3.42Å; L305-L365 HydrophobicContact CD2-CD1 3.57Å; L305-L365 HydrophobicContact CD2-CG 4.46Å
306L95.2Very high93.5Very high7 Ų749.8 Ų49.84%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-129.9129.1-169-58.5174.3000110Q294 C295 C310 R312 I319 C321Q294-L306 CarbonylContact C-O 3.57Å; Q294-L306 VanDerWaalsContact CA-O 3.23Å; Q294-L306 WeakPolarHBondContact CA-O 3.29Å; C295-L306 PolarHBondContact N-O 2.92Å; C295-L306 PolarHBondContact O-N 2.99Å; L306-C310 HydrophobicContact CB-CB 4.37Å; L306-R312 HydrophobicContact CD2-CB 3.44Å; L306-R312 VanDerWaalsContact CD2-CB 3.44Å; L306-R312 HydrophobicContact CD2-CG 4.48Å; L306-I319 HydrophobicContact CD1-CB 4.28Å; L306-I319 HydrophobicContact CD1-CG2 4Å; L306-I319 WeakPolarHBondContact CD1-O 3.46Å; L306-C321 HydrophobicContact CB-CB 3.8Å; L306-C321 HydrophobicContact CD1-CB 4.49Å
307D94.5Very high93.3Very high54 Ų5449.5 Ų49.529%0.28928%0.281SS..  trans-70.1151.2169.4-64.4-16.7000110.2Q294 G309 C310Q294-D307 WeakPolarHBondContact CG-OD1 3.43Å; Q294-D307 PolarHBondContact NE2-OD1 3.28Å; D307-G309 PolarHBondContact O-N 3.01Å; D307-C310 WeakPolarHBondContact O-CB 3.4Å; D307-C310 PolarHBondContact O-N 3.46Å; D307-C310 PolarHBondContact O-SG 2.94Å
308P94.2Very high93.2Very high27 Ų2748.9 Ų48.918%0.17528%0.278CS..THydrogen-bonded Turntrans-54.7126.9173.9-27.133000112.4V293 R323 V329V293-P308 WeakPolarHBondContact O-CD 3.49Å; P308-R323 HydrophobicContact CB-CB 4.25Å; P308-V329 HydrophobicContact CB-CG1 4.49Å; P308-V329 HydrophobicContact CB-CG2 4.23Å; P308-V329 HydrophobicContact CG-CG1 4.39Å; P308-V329 HydrophobicContact CG-CG2 4.24Å
309G92.4Very high93.2Very high12 Ų1245.7 Ų45.712%0.12426%0.263CS..THydrogen-bonded Turntrans92.57.6-173.600000114.8D307 C321D307-G309 PolarHBondContact O-N 3.01Å; G309-C321 PolarHBondContact N-O 3.33Å
310C93.3Very high93.2Very high4 Ų443.9 Ų43.93%0.02725%0.25CS..EExtended strand (participates in β ladder)trans-106.4153.7177.3-66.10000112.5L306 D307 C321 C358L306-C310 HydrophobicContact CB-CB 4.37Å; D307-C310 WeakPolarHBondContact O-CB 3.4Å; D307-C310 PolarHBondContact O-N 3.46Å; D307-C310 PolarHBondContact O-SG 2.94Å; C310-C321 PolarHBondContact O-N 3.34Å; C310-C358 HydrophobicContact CB-CB 3.64Å; C310-C358 WeakPolarHBondContact CB-SG 3.08Å; C310-C358 WeakPolarHBondContact SG-CB 3.5Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 3.32Å
311A92.7Very high93.3Very high2 Ų238.2 Ų38.22%0.01721%0.211CC..EExtended strand (participates in β ladder)trans-132151.3168.100000111.3L318 I319 A320 V346 L351A311-L318 HydrophobicContact CB-CD1 4.25Å; A311-I319 CarbonylContact C-O 3.48Å; A311-I319 WeakPolarHBondContact CA-O 3.06Å; A311-I319 WeakPolarHBondContact CB-O 3.18Å; A311-A320 HydrophobicContact CB-CB 3.95Å; A311-V346 HydrophobicContact CB-CG2 4.06Å; A311-L351 HydrophobicContact CB-CD1 4.15Å
312R92.2Very high93.2Very high92 Ų9233.4 Ų33.435%0.34719%0.189SC..EExtended strand (participates in β ladder)trans-147.4143177.8-176.2175.7177.2172.80.3111L306 I319L306-R312 HydrophobicContact CD2-CB 3.44Å; L306-R312 VanDerWaalsContact CD2-CB 3.44Å; L306-R312 HydrophobicContact CD2-CG 4.48Å; R312-I319 PolarHBondContact N-O 3.49Å; R312-I319 PolarHBondContact O-N 3.11Å
313K91.9Very high93.3Very high92 Ų9237.9 Ų37.940%0.420%0.197SC..EExtended strand (participates in β ladder)trans-78.9129.7172.1-165.4168-164.2147.10110.8S317 D342K313-S317 WeakPolarHBondContact CA-O 3.18Å; K313-D342 IonicContact NZ-OD2 3.68Å; K313-D342 PolarHBondContact NZ-OD2 3.35Å
314V92.3Very high93.2Very high12 Ų1237.1 Ų37.17%0.07319%0.19CC..EExtended strand (participates in β ladder)trans-131.8103175.8-175.60000107.6F297 H301 A304 S317 I319F297-V314 HydrophobicContact CD1-CG1 4.32Å; F297-V314 HydrophobicContact CE1-CB 4.41Å; F297-V314 HydrophobicContact CE1-CG1 4.07Å; H301-V314 HydrophobicContact CB-CG1 4.21Å; A304-V314 HydrophobicContact CB-CG2 3.68Å; V314-S317 PolarHBondContact N-O 2.86Å; V314-S317 PolarHBondContact O-N 2.75Å; V314-I319 HydrophobicContact CB-CD1 3.82Å; V314-I319 HydrophobicContact CG2-CD1 3.74Å; V314-I319 HydrophobicContact CG2-CG1 4.38Å
315G91.2Very high93Very high43 Ų4347.8 Ų47.844%0.44324%0.237SC..THydrogen-bonded Turntrans60.4-128.7-17100000111.8S317G315-S317 VanDerWaalsContact C-N 3.29Å
316P91.3Very high92.7Very high76 Ų7648.9 Ų48.949%0.49424%0.242SC..THydrogen-bonded Turntrans-82.6-3.5179.934.5-35.5000113.8
317S92Very high92.5Very high23 Ų2350 Ų5016%0.16126%0.256CS..EExtended strand (participates in β ladder)trans-110.9143.1-174.5-57.60000111.9K313 V314 G315 L333K313-S317 WeakPolarHBondContact CA-O 3.18Å; V314-S317 PolarHBondContact N-O 2.86Å; V314-S317 PolarHBondContact O-N 2.75Å; G315-S317 VanDerWaalsContact C-N 3.29Å; S317-L333 VanDerWaalsContact CB-CD1 3.42Å
318L92.6Very high92.4Very high2 Ų251.1 Ų51.11%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-94.9129.1166.9179.774.6000108.6A311 L334 D342 A345 V346A311-L318 HydrophobicContact CB-CD1 4.25Å; L318-L334 HydrophobicContact CB-CB 4.16Å; L318-L334 HydrophobicContact CD2-CB 4.49Å; L318-L334 HydrophobicContact CD2-CD1 3.99Å; L318-L334 PolarHBondContact N-O 2.88Å; L318-L334 PolarHBondContact O-N 2.82Å; L318-D342 HydrophobicContact CD2-CB 4.5Å; L318-A345 HydrophobicContact CD2-CB 4.12Å; L318-V346 HydrophobicContact CD2-CG2 3.86Å
319I94Very high92.4Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-117.1127.9-176.8-52.5-177.2000108.1F297 L306 A311 R312 V314 V331 Q332 L333F297-I319 HydrophobicContact CB-CD1 4.1Å; F297-I319 HydrophobicContact CB-CG2 4.38Å; F297-I319 HydrophobicContact CD1-CD1 3.02Å; F297-I319 HydrophobicContact CD2-CD1 3.72Å; F297-I319 HydrophobicContact CE1-CD1 3.05Å; F297-I319 HydrophobicContact CE1-CG1 4.48Å; F297-I319 HydrophobicContact CE2-CD1 3.76Å; F297-I319 HydrophobicContact CG-CD1 3.34Å; F297-I319 HydrophobicContact CG-CG2 4.44Å; F297-I319 HydrophobicContact CZ-CD1 3.43Å; F297-I319 VanDerWaalsContact CZ-CD1 3.43Å; L306-I319 HydrophobicContact CD1-CB 4.28Å; L306-I319 HydrophobicContact CD1-CG2 4Å; L306-I319 WeakPolarHBondContact CD1-O 3.46Å; A311-I319 CarbonylContact C-O 3.48Å; A311-I319 WeakPolarHBondContact CA-O 3.06Å; A311-I319 WeakPolarHBondContact CB-O 3.18Å; R312-I319 PolarHBondContact N-O 3.49Å; R312-I319 PolarHBondContact O-N 3.11Å; V314-I319 HydrophobicContact CB-CD1 3.82Å; V314-I319 HydrophobicContact CG2-CD1 3.74Å; V314-I319 HydrophobicContact CG2-CG1 4.38Å; I319-V331 HydrophobicContact CG2-CG1 3.74Å; I319-Q332 WeakPolarHBondContact CA-O 3.48Å; I319-L333 HydrophobicContact CD1-CD1 4.14Å; I319-L333 HydrophobicContact CG1-CD1 3.69Å
320A94.5Very high92.5Very high0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-119.9134.2179.400000111A311 N322 V331 Q332 L349 L351A311-A320 HydrophobicContact CB-CB 3.95Å; A320-N322 PolarHBondContact O-N 2.72Å; A320-V331 WeakPolarHBondContact O-CA 3.33Å; A320-Q332 PolarHBondContact N-O 2.89Å; A320-Q332 PolarHBondContact O-N 3.32Å; A320-L349 HydrophobicContact CB-CD1 3.34Å; A320-L351 HydrophobicContact CB-CD1 4.33Å
321C95.9Very high92.6Very high0 Ų053.5 Ų53.50%027%0.273CS..EExtended strand (participates in β ladder)trans-9485167.9-172.30000107.4C295 L306 G309 C310 V329 E330C295-C321 HydrophobicContact CB-CB 3.56Å; C295-C321 WeakPolarHBondContact CB-SG 3.48Å; C295-C321 VanDerWaalsContact SG-CA 3.59Å; C295-C321 WeakPolarHBondContact SG-CB 3.37Å; C295-C321 CovalentContact SG-SG 2.03Å; C295-C321 PolarHBondContact SG-SG 3.05Å; L306-C321 HydrophobicContact CB-CB 3.8Å; L306-C321 HydrophobicContact CD1-CB 4.49Å; G309-C321 PolarHBondContact N-O 3.33Å; C310-C321 PolarHBondContact O-N 3.34Å; C321-V329 VanDerWaalsContact SG-CG1 3.59Å; C321-E330 CarbonylContact C-O 3.55Å
322N93.7Very high92.6Very high19 Ų1956 Ų5610%0.10228%0.284CS..EExtended strand (participates in β ladder)trans-82.4133.1-172.8-174.328.2000110.7A320 V329 E330A320-N322 PolarHBondContact O-N 2.72Å; N322-V329 CarbonylContact O-C 3.58Å; N322-V329 VanDerWaalsContact O-CA 3.3Å; N322-V329 WeakPolarHBondContact O-CA 3.49Å; N322-E330 HydrophobicContact CB-CG 3.9Å; N322-E330 PolarHBondContact N-O 2.97Å; N322-E330 PolarHBondContact ND2-OE1 2.82Å; N322-E330 PolarHBondContact O-N 2.76Å
323R92.9Very high92.7Very high123 Ų12355.5 Ų55.546%0.46429%0.288SS..EExtended strand (participates in β ladder)trans-108.8110.6171.7-171.9177.8-157.7175.46.3108.8P308 V328 V329P308-R323 HydrophobicContact CB-CB 4.25Å; R323-V328 WeakPolarHBondContact CA-O 3.35Å; R323-V329 HydrophobicContact CB-CG2 4.29Å; R323-V329 HydrophobicContact CG-CG2 4.04Å
324R91.7Very high92.7Very high122 Ų12253.1 Ų53.146%0.4628%0.279SS..  trans-67.9163.2176.4-73169.950.1138.84.3111.4D326 G327 V328R324-D326 WeakPolarHBondContact CB-OD1 3.47Å; R324-D326 IonicContact CZ-OD2 2.94Å; R324-D326 VanDerWaalsContact CZ-OD2 3.26Å; R324-D326 IonicContact NE-OD1 3.07Å; R324-D326 IonicContact NE-OD2 3.85Å; R324-D326 PolarHBondContact NE-OD2 2.76Å; R324-D326 IonicContact NH2-OD2 3.74Å; R324-D326 PolarHBondContact NH2-OD2 2.05Å; R324-D326 PolarHBondContact O-N 2.82Å; R324-G327 WeakPolarHBondContact O-CA 3.39Å; R324-G327 PolarHBondContact O-N 2.79Å; R324-V328 PolarHBondContact N-O 2.85Å
325F89.4Confident92.5Very high229 Ų22958.8 Ų58.8100%1.00431%0.314SS*.THydrogen-bonded Turntrans-63.4-25.5178.5-63.6-78.4000113.6G327F325-G327 PolarHBondContact O-N 3.46Å
326D89.8Confident92Very high86 Ų8657.3 Ų57.346%0.4630%0.297SS..THydrogen-bonded Turntrans-76.1-5172.15619.4000113.2R324 V328R324-D326 WeakPolarHBondContact CB-OD1 3.47Å; R324-D326 IonicContact CZ-OD2 2.94Å; R324-D326 VanDerWaalsContact CZ-OD2 3.26Å; R324-D326 IonicContact NE-OD1 3.07Å; R324-D326 IonicContact NE-OD2 3.85Å; R324-D326 PolarHBondContact NE-OD2 2.76Å; R324-D326 IonicContact NH2-OD2 3.74Å; R324-D326 PolarHBondContact NH2-OD2 2.05Å; R324-D326 PolarHBondContact O-N 2.82Å; D326-V328 VanDerWaalsContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.34Å; D326-V328 WeakPolarHBondContact OD1-CG2 2.93Å; D326-V328 PolarHBondContact OD1-N 3.37Å
327G89.8Confident91.7Very high32 Ų3260.1 Ų60.133%0.3331%0.312SS..SBendtrans88.8-5.6-178.900000114.6R324 F325R324-G327 WeakPolarHBondContact O-CA 3.39Å; R324-G327 PolarHBondContact O-N 2.79Å; F325-G327 PolarHBondContact O-N 3.46Å
328V92.5Very high91.5Very high77 Ų7762.2 Ų62.247%0.46732%0.322SS..  trans-65.1134.3175.61790000109.2R323 R324 D326R323-V328 WeakPolarHBondContact CA-O 3.35Å; R324-V328 PolarHBondContact N-O 2.85Å; D326-V328 VanDerWaalsContact OD1-CB 3.27Å; D326-V328 WeakPolarHBondContact OD1-CB 3.34Å; D326-V328 WeakPolarHBondContact OD1-CG2 2.93Å; D326-V328 PolarHBondContact OD1-N 3.37Å
329V95Very high91.2Very high16 Ų1665.6 Ų65.610%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-105.7127.5176-179.10000108.8V292 C295 P308 C321 N322 R323V292-V329 HydrophobicContact CB-CB 3.92Å; V292-V329 HydrophobicContact CB-CG1 4.31Å; V292-V329 HydrophobicContact CB-CG2 3.96Å; V292-V329 HydrophobicContact CG1-CB 3.92Å; V292-V329 HydrophobicContact CG1-CG1 3.74Å; V292-V329 HydrophobicContact CG1-CG2 4.26Å; V292-V329 HydrophobicContact CG2-CB 4.27Å; C295-V329 VanDerWaalsContact SG-CG1 3.58Å; P308-V329 HydrophobicContact CB-CG1 4.49Å; P308-V329 HydrophobicContact CB-CG2 4.23Å; P308-V329 HydrophobicContact CG-CG1 4.39Å; P308-V329 HydrophobicContact CG-CG2 4.24Å; C321-V329 VanDerWaalsContact SG-CG1 3.59Å; N322-V329 CarbonylContact O-C 3.58Å; N322-V329 VanDerWaalsContact O-CA 3.3Å; N322-V329 WeakPolarHBondContact O-CA 3.49Å; R323-V329 HydrophobicContact CB-CG2 4.29Å; R323-V329 HydrophobicContact CG-CG2 4.04Å
330E94.5Very high90.9Very high56 Ų5668.1 Ų68.126%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-129.3149.3-179.565-172.5-17400110.5C321 N322 Q332C321-E330 CarbonylContact C-O 3.55Å; N322-E330 HydrophobicContact CB-CG 3.9Å; N322-E330 PolarHBondContact N-O 2.97Å; N322-E330 PolarHBondContact ND2-OE1 2.82Å; N322-E330 PolarHBondContact O-N 2.76Å; E330-Q332 HydrophobicContact CG-CG 4.27Å; E330-Q332 PolarHBondContact OE1-NE2 2.86Å
331V94.7Very high90.6Very high21 Ų2169.2 Ų69.213%0.12738%0.379CS..EExtended strand (participates in β ladder)trans-96.1125.3171.7-173.70000108.3F275 F277 C295 I319 A320F275-V331 HydrophobicContact CB-CG2 4.44Å; F275-V331 HydrophobicContact CD1-CB 3.92Å; F275-V331 HydrophobicContact CD1-CG1 3.53Å; F275-V331 HydrophobicContact CD1-CG2 4.37Å; F275-V331 HydrophobicContact CD2-CB 4.32Å; F275-V331 HydrophobicContact CE1-CB 4.16Å; F275-V331 HydrophobicContact CE1-CG1 3.48Å; F275-V331 VanDerWaalsContact CE1-CG1 3.48Å; F275-V331 HydrophobicContact CG-CB 4.04Å; F275-V331 HydrophobicContact CG-CG1 4.18Å; F275-V331 HydrophobicContact CG-CG2 4.4Å; F275-V331 HydrophobicContact CZ-CB 4.48Å; F275-V331 HydrophobicContact CZ-CG1 4.06Å; F277-V331 HydrophobicContact CE1-CG2 3.71Å; F277-V331 HydrophobicContact CZ-CG2 4Å; C295-V331 HydrophobicContact CB-CG2 3.75Å; I319-V331 HydrophobicContact CG2-CG1 3.74Å; A320-V331 WeakPolarHBondContact O-CA 3.33Å
332Q93.9Very high90.1Very high55 Ų5570.2 Ų70.226%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-113.1134.1173.8-61.7-166.610.900110.4I319 A320 E330I319-Q332 WeakPolarHBondContact CA-O 3.48Å; A320-Q332 PolarHBondContact N-O 2.89Å; A320-Q332 PolarHBondContact O-N 3.32Å; E330-Q332 HydrophobicContact CG-CG 4.27Å; E330-Q332 PolarHBondContact OE1-NE2 2.86Å
333L93.5Very high89.7Confident81 Ų8172.7 Ų72.742%0.42440%0.403SS..EExtended strand (participates in β ladder)trans-104122.6173.4-17169.4000108.5F275 S317 I319F275-L333 HydrophobicContact CZ-CB 4.5Å; S317-L333 VanDerWaalsContact CB-CD1 3.42Å; I319-L333 HydrophobicContact CD1-CD1 4.14Å; I319-L333 HydrophobicContact CG1-CD1 3.69Å
334L92.4Very high89.5Confident42 Ų4274.3 Ų74.322%0.2241%0.409CS..EExtended strand (participates in β ladder)trans-118.7121.1-179-63.6163.5000107.8L318 A345 L349L318-L334 HydrophobicContact CB-CB 4.16Å; L318-L334 HydrophobicContact CD2-CB 4.49Å; L318-L334 HydrophobicContact CD2-CD1 3.99Å; L318-L334 PolarHBondContact N-O 2.88Å; L318-L334 PolarHBondContact O-N 2.82Å; L334-A345 HydrophobicContact CD1-CB 3.86Å; L334-L349 HydrophobicContact CD1-CD1 3.71Å; L334-L349 HydrophobicContact CD1-CG 4.33Å
335T87.9Confident89.4Confident131 Ų13169.4 Ų69.480%0.80440%0.395SS*.EExtended strand (participates in β ladder)trans-74127.8171.948.30000108.3
336S81.1Confident89.2Confident12 Ų1258.7 Ų58.78%0.08435%0.348CS..  trans-138.7122.3-175-175.80000110.9D338 S341 D342S336-D338 PolarHBondContact OG-O 3.06Å; S336-D338 VanDerWaalsContact OG-O 3.08Å; S336-S341 PolarHBondContact OG-OG 2.8Å; S336-D342 WeakPolarHBondContact CB-OD1 3.18Å; S336-D342 PolarHBondContact OG-N 2.87Å; S336-D342 PolarHBondContact OG-OD1 3.04Å
337T83.8Confident89.1Confident134 Ų13457.9 Ų57.982%0.82235%0.349SS*.SBendtrans-85-28.1-177.648.10000112.2S341T337-S341 PolarHBondContact N-OG 2.92Å
338D87.8Confident89Confident68 Ų6863 Ų6336%0.36437%0.369SS..SBendtrans-147.8170.3-174.564.957000113.4S336 A340 S341 D342S336-D338 PolarHBondContact OG-O 3.06Å; S336-D338 VanDerWaalsContact OG-O 3.08Å; D338-A340 PolarHBondContact O-N 3.47Å; D338-A340 WeakPolarHBondContact OD1-CA 3.46Å; D338-A340 VanDerWaalsContact OD1-CB 3.32Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 3.29Å; D338-S341 PolarHBondContact N-OG 2.78Å; D338-S341 PolarHBondContact O-N 2.8Å; D338-S341 PolarHBondContact O-OG 2.87Å; D338-S341 PolarHBondContact OD1-N 3.2Å; D338-S341 PolarHBondContact OD1-OG 2.85Å; D338-D342 PolarHBondContact O-N 3.12Å; D338-D342 VanDerWaalsContact O-N 3.13Å
339A85.6Confident88.7Confident72 Ų7260.7 Ų60.760%0.59535%0.354SS*.Hα-helixtrans-68.9-21.9-178.900000113.3S343A339-S343 PolarHBondContact O-N 3.11Å; A339-S343 VanDerWaalsContact O-N 3.15Å; A339-S343 PolarHBondContact O-OG 3.44Å
340A88Confident88.2Confident54 Ų5463 Ų6345%0.44638%0.381SS..Hα-helixtrans-79.9-35.217800000111.2D338 S343 R344D338-A340 PolarHBondContact O-N 3.47Å; D338-A340 WeakPolarHBondContact OD1-CA 3.46Å; D338-A340 VanDerWaalsContact OD1-CB 3.32Å; D338-A340 WeakPolarHBondContact OD1-CB 3.46Å; D338-A340 PolarHBondContact OD1-N 3.29Å; A340-S343 PolarHBondContact O-N 2.79Å; A340-R344 WeakPolarHBondContact O-CG 3.44Å; A340-R344 PolarHBondContact O-N 3.22Å; A340-R344 PolarHBondContact O-NE 3.3Å
341S88.4Confident87.5Confident24 Ų2461.1 Ų61.117%0.16837%0.372CS..Hα-helixtrans-65.2-40.5168.754.60000110.9S336 T337 D338 S343 R344 A345S336-S341 PolarHBondContact OG-OG 2.8Å; T337-S341 PolarHBondContact N-OG 2.92Å; D338-S341 PolarHBondContact N-OG 2.78Å; D338-S341 PolarHBondContact O-N 2.8Å; D338-S341 PolarHBondContact O-OG 2.87Å; D338-S341 PolarHBondContact OD1-N 3.2Å; D338-S341 PolarHBondContact OD1-OG 2.85Å; S341-S343 PolarHBondContact O-N 2.98Å; S341-R344 PolarHBondContact O-N 2.05Å; S341-A345 VanDerWaalsContact O-CB 3.26Å; S341-A345 WeakPolarHBondContact O-CB 3.14Å; S341-A345 PolarHBondContact O-N 2.83Å
342D86.2Confident86Confident21 Ų2163.1 Ų63.111%0.11239%0.387CS..Hα-helixtrans-56.4-50.5173.6-74.4-28000111K313 L318 S336 D338 R344 A345 V346K313-D342 IonicContact NZ-OD2 3.68Å; K313-D342 PolarHBondContact NZ-OD2 3.35Å; L318-D342 HydrophobicContact CD2-CB 4.5Å; S336-D342 WeakPolarHBondContact CB-OD1 3.18Å; S336-D342 PolarHBondContact OG-N 2.87Å; S336-D342 PolarHBondContact OG-OD1 3.04Å; D338-D342 PolarHBondContact O-N 3.12Å; D338-D342 VanDerWaalsContact O-N 3.13Å; D342-R344 PolarHBondContact O-N 2.9Å; D342-A345 PolarHBondContact O-N 2.74Å; D342-V346 WeakPolarHBondContact O-CG2 3.35Å; D342-V346 PolarHBondContact O-N 2.85Å
343S85.6Confident84.1Confident71 Ų7164.3 Ų64.350%0.49740%0.402SS..Hα-helixtrans-63.8-40.1-178.5-62.90000113A339 A340 S341 S347A339-S343 PolarHBondContact O-N 3.11Å; A339-S343 VanDerWaalsContact O-N 3.15Å; A339-S343 PolarHBondContact O-OG 3.44Å; A340-S343 PolarHBondContact O-N 2.79Å; S341-S343 PolarHBondContact O-N 2.98Å; S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 3.2Å; S343-S347 VanDerWaalsContact O-N 3.15Å
344R89Confident82.2Confident156 Ų15669.6 Ų69.659%0.58942%0.424SS*.Hα-helixtrans-66.7-43.5175.2-77.4-177-75.6-173.3-1.3111.4A340 S341 D342 S347 N348A340-R344 WeakPolarHBondContact O-CG 3.44Å; A340-R344 PolarHBondContact O-N 3.22Å; A340-R344 PolarHBondContact O-NE 3.3Å; S341-R344 PolarHBondContact O-N 2.05Å; D342-R344 PolarHBondContact O-N 2.9Å; R344-S347 WeakPolarHBondContact O-CB 3.39Å; R344-S347 PolarHBondContact O-N 3.3Å; R344-N348 VanDerWaalsContact O-CG 3.24Å; R344-N348 PolarHBondContact O-N 3.31Å; R344-N348 PolarHBondContact O-OD1 3.35Å
345A87.8Confident80.6Confident19 Ų1973.1 Ų73.116%0.15744%0.438CS..Hα-helixtrans-66-43.7-178.900000111.6L318 L334 S341 D342 S347 N348 L349L318-A345 HydrophobicContact CD2-CB 4.12Å; L334-A345 HydrophobicContact CD1-CB 3.86Å; S341-A345 VanDerWaalsContact O-CB 3.26Å; S341-A345 WeakPolarHBondContact O-CB 3.14Å; S341-A345 PolarHBondContact O-N 2.83Å; D342-A345 PolarHBondContact O-N 2.74Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 2.85Å; A345-N348 PolarHBondContact O-N 2.81Å; A345-L349 WeakPolarHBondContact O-CG 2.97Å; A345-L349 PolarHBondContact O-N 3Å; A345-L349 VanDerWaalsContact O-N 3.15Å
346V86.9Confident79.2Confident5 Ų571.1 Ų71.13%0.0342%0.418CS..Hα-helixtrans-58.8-40172.5175.20000111.4A311 L318 D342 L349 L351 K356A311-V346 HydrophobicContact CB-CG2 4.06Å; L318-V346 HydrophobicContact CD2-CG2 3.86Å; D342-V346 WeakPolarHBondContact O-CG2 3.35Å; D342-V346 PolarHBondContact O-N 2.85Å; V346-L349 PolarHBondContact O-N 3.42Å; V346-L351 HydrophobicContact CG1-CB 3.87Å; V346-L351 HydrophobicContact CG1-CD1 4.29Å; V346-L351 PolarHBondContact O-N 3.44Å; V346-K356 HydrophobicContact CG1-CG 3.95Å
347S86.7Confident78.3Confident69 Ų6976.6 Ų76.648%0.48345%0.446SS..Hα-helixtrans-65.2-41.4176.9-162.30000112.4S343 R344 A345 L349 G350S343-S347 WeakPolarHBondContact O-CB 3.49Å; S343-S347 PolarHBondContact O-N 3.2Å; S343-S347 VanDerWaalsContact O-N 3.15Å; R344-S347 WeakPolarHBondContact O-CB 3.39Å; R344-S347 PolarHBondContact O-N 3.3Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 2.85Å; S347-L349 PolarHBondContact O-N 2.84Å; S347-G350 PolarHBondContact O-N 3.06Å
348N88.2Confident77.3Confident139 Ų13972.5 Ų72.574%0.74342%0.422SS*.Hα-helixtrans-66.5-26.5179.4-69.7-9.7000112.6R344 A345 G350R344-N348 VanDerWaalsContact O-CG 3.24Å; R344-N348 PolarHBondContact O-N 3.31Å; R344-N348 PolarHBondContact O-OD1 3.35Å; A345-N348 PolarHBondContact O-N 2.81Å; N348-G350 PolarHBondContact O-N 2.76Å
349L86.2Confident76.1Confident29 Ų2977.3 Ų77.315%0.15244%0.442CS..THydrogen-bonded Turntrans-75.8-1.1173.6-65.1179.4000113.8A320 L334 A345 V346 S347 L351A320-L349 HydrophobicContact CB-CD1 3.34Å; L334-L349 HydrophobicContact CD1-CD1 3.71Å; L334-L349 HydrophobicContact CD1-CG 4.33Å; A345-L349 WeakPolarHBondContact O-CG 2.97Å; A345-L349 PolarHBondContact O-N 3Å; A345-L349 VanDerWaalsContact O-N 3.15Å; V346-L349 PolarHBondContact O-N 3.42Å; S347-L349 PolarHBondContact O-N 2.84Å; L349-L351 HydrophobicContact CB-CD1 4.14Å; L349-L351 HydrophobicContact CB-CG 3.8Å; L349-L351 HydrophobicContact CD1-CD1 4.05Å; L349-L351 PolarHBondContact O-N 2.85Å
350G83.7Confident74.6Confident64 Ų6477.8 Ų77.866%0.6644%0.44SS*.THydrogen-bonded Turntrans66.516.1-17600000113.3S347 N348 S352S347-G350 PolarHBondContact O-N 3.06Å; N348-G350 PolarHBondContact O-N 2.76Å; G350-S352 PolarHBondContact O-N 3.48Å
351L80.2Confident73.1Confident17 Ų1779.1 Ų79.19%0.08944%0.443CS..  trans-73.1115.1176.5-60.5-178.1000108.2A311 A320 V346 L349 S353A311-L351 HydrophobicContact CB-CD1 4.15Å; A320-L351 HydrophobicContact CB-CD1 4.33Å; V346-L351 HydrophobicContact CG1-CB 3.87Å; V346-L351 HydrophobicContact CG1-CD1 4.29Å; V346-L351 PolarHBondContact O-N 3.44Å; L349-L351 HydrophobicContact CB-CD1 4.14Å; L349-L351 HydrophobicContact CB-CG 3.8Å; L349-L351 HydrophobicContact CD1-CD1 4.05Å; L349-L351 PolarHBondContact O-N 2.85Å; L351-S353 PolarHBondContact O-N 2.78Å
352S63.1Low71.5Confident63 Ų6382.9 Ų82.944%0.44147%0.465SS..  trans-50.6137.8-173.771.60000111.3G350 Q354 K355G350-S352 PolarHBondContact O-N 3.48Å; S352-Q354 PolarHBondContact O-N 2.86Å; S352-K355 PolarHBondContact O-N 3.43Å
353S54.2Low70.3Confident80 Ų8090.3 Ų90.356%0.55949%0.491SS*.G310 helixtrans-58-20.6-176.949.70000114.9L351 K356L351-S353 PolarHBondContact O-N 2.78Å; S353-K356 VanDerWaalsContact CA-CD 3.45Å; S353-K356 VanDerWaalsContact CA-CE 3.43Å; S353-K356 VanDerWaalsContact CB-CE 3.41Å; S353-K356 VanDerWaalsContact O-CB 3.32Å; S353-K356 WeakPolarHBondContact O-CB 3.43Å; S353-K356 WeakPolarHBondContact O-CD 3Å; S353-K356 WeakPolarHBondContact O-CG 3.34Å
354Q53.6Low69.1Low191 Ų19190.9 Ų90.989%0.89349%0.493SS*.G310 helixtrans-80.4-13.9176.7-67.4-171.7-18.600114.3S352S352-Q354 PolarHBondContact O-N 2.86Å
355K57.6Low67.6Low116 Ų11685.3 Ų85.350%0.50448%0.475SS..G310 helixtrans-101.510.5174.5-75.6-174.2174.5-174.90113.4S352 L357S352-K355 PolarHBondContact O-N 3.43Å; K355-L357 PolarHBondContact O-N 2.81Å
356K58.6Low66.1Low89 Ų8990 Ų9039%0.38749%0.492SS..SBendtrans-59.2-14.5-157.1-101.9172.3179.8179.20117.9V346 S353V346-K356 HydrophobicContact CG1-CG 3.95Å; S353-K356 VanDerWaalsContact CA-CD 3.45Å; S353-K356 VanDerWaalsContact CA-CE 3.43Å; S353-K356 VanDerWaalsContact CB-CE 3.41Å; S353-K356 VanDerWaalsContact O-CB 3.32Å; S353-K356 WeakPolarHBondContact O-CB 3.43Å; S353-K356 WeakPolarHBondContact O-CD 3Å; S353-K356 WeakPolarHBondContact O-CG 3.34Å
357L62.8Low64.6Low128 Ų12891.3 Ų91.367%0.6750%0.5SS*.SBendtrans-153.6102.5164.9-130.580.9000105.5K355 Q359K355-L357 PolarHBondContact O-N 2.81Å; L357-Q359 PolarHBondContact O-N 2.81Å
358C63.6Low62.8Low47 Ų4791.4 Ų91.432%0.31850%0.5SS..  trans-64.1110.6-177.6-66.50000108.7C310C310-C358 HydrophobicContact CB-CB 3.64Å; C310-C358 WeakPolarHBondContact CB-SG 3.08Å; C310-C358 WeakPolarHBondContact SG-CB 3.5Å; C310-C358 CovalentContact SG-SG 2.02Å; C310-C358 PolarHBondContact SG-SG 3.32Å
359Q61.5Low60.8Low169 Ų16987.7 Ų87.779%0.7949%0.488SS*.  trans-63.5135.9169.6-70.8-179-12.100107.7L357 T361L357-Q359 PolarHBondContact O-N 2.81Å; Q359-T361 PolarHBondContact O-N 3.38Å
360C54Low59.1Low82 Ų8291.7 Ų91.755%0.55451%0.506SS*.  trans-45105.8-174.3-63.80000111.3T362C360-T362 PolarHBondContact O-N 2.97Å; C360-T362 VanDerWaalsContact O-N 3.14Å
361T56.2Low57.3Low82 Ų8293.4 Ų93.450%0.50351%0.508SS..  trans-75.699.9164.546.30000106.8Q359 R363Q359-T361 PolarHBondContact O-N 3.38Å; T361-R363 PolarHBondContact O-N 3.21Å
362T56.4Low55.5Low103 Ų10399.8 Ų99.863%0.63255%0.548SS*.  trans-71.170.3171.345.60000109.6C360C360-T362 PolarHBondContact O-N 2.97Å; C360-T362 VanDerWaalsContact O-N 3.14Å
363R60.7Low54.3Low178 Ų178103.9 Ų103.967%0.67256%0.56SS**  trans-91.5115.6163.1-80.1-172.9174-170.4-2.4107.6T361 L365T361-R363 PolarHBondContact O-N 3.21Å; R363-L365 PolarHBondContact O-N 3.39Å
364P59.4Low53.6Low82 Ų82104.1 Ų104.153%0.53256%0.561SS.*  trans-59.1128176.222.3-31.7000110F366P364-F366 HydrophobicContact CB-CD2 4.18Å; P364-F366 HydrophobicContact CB-CE2 3.65Å; P364-F366 HydrophobicContact CB-CZ 4.15Å; P364-F366 HydrophobicContact CG-CD2 4.28Å; P364-F366 HydrophobicContact CG-CE2 3.6Å; P364-F366 HydrophobicContact CG-CZ 4.35Å; P364-F366 PolarHBondContact O-N 3.32Å
365L57.6Low53.2Low39 Ų3998.9 Ų98.920%0.20454%0.542CS..  trans-78.3100171.7-91.2160.5000108.2V278 L305 R363 V367V278-L365 HydrophobicContact CG1-CD2 3.98Å; L305-L365 HydrophobicContact CD2-CD1 3.57Å; L305-L365 HydrophobicContact CD2-CG 4.46Å; R363-L365 PolarHBondContact O-N 3.39Å; L365-V367 HydrophobicContact CD2-CG2 4.5Å
366F56Low52.5Low118 Ų11899.3 Ų99.352%0.51855%0.545SS..EExtended strand (participates in β ladder)trans-90.3102.2163.5-65.7-78.7000108.2P364P364-F366 HydrophobicContact CB-CD2 4.18Å; P364-F366 HydrophobicContact CB-CE2 3.65Å; P364-F366 HydrophobicContact CB-CZ 4.15Å; P364-F366 HydrophobicContact CG-CD2 4.28Å; P364-F366 HydrophobicContact CG-CE2 3.6Å; P364-F366 HydrophobicContact CG-CZ 4.35Å; P364-F366 PolarHBondContact O-N 3.32Å
367V56.6Low52.1Low32 Ų32101.8 Ų101.819%0.19455%0.553CS.*EExtended strand (participates in β ladder)trans-95.3108.8171.5-1780000107.2L365 A369 Y377L365-V367 HydrophobicContact CD2-CG2 4.5Å; V367-A369 PolarHBondContact O-N 2.96Å; V367-Y377 HydrophobicContact CG2-CD2 4.46Å; V367-Y377 HydrophobicContact CG2-CE2 4.23Å
368C48.2Very low51.2Low72 Ų72100.6 Ų100.649%0.48655%0.553SS.*EExtended strand (participates in β ladder)trans-84106.8173.7-67.70000109.1
369A46.7Very low50.1Low60 Ų60105.7 Ų105.750%0.49657%0.572SS.*  trans-75.6143.516100000109.1V367 S371V367-A369 PolarHBondContact O-N 2.96Å; A369-S371 PolarHBondContact O-N 2.79Å
370Q50.2Low49.5Very low114 Ų114103.6 Ų103.653%0.53357%0.571SS.*SBendtrans-60.4133.3176.1-67.6-169.9-14.400110E259E259-Q370 VanDerWaalsContact CB-NE2 3.35Å; E259-Q370 PolarHBondContact O-NE2 2.85Å
371S45.3Very low48.7Very low100 Ų100107.1 Ų107.170%0.69958%0.584SS**SBendtrans80.384.5-171.380.10000115.9A369 Q373A369-S371 PolarHBondContact O-N 2.79Å; S371-Q373 PolarHBondContact O-N 3.36Å
372T42.9Very low48Very low150 Ų150107 Ų10792%0.9259%0.586SS**SBendtrans54.5-5154.343.30000121.2
373Q38.3Very low47.1Very low150 Ų150107.4 Ų107.470%0.70159%0.593SS**  trans-111.599.2177.3-73.3-179-4.200110.1S371 V375S371-Q373 PolarHBondContact O-N 3.36Å; Q373-V375 PolarHBondContact O-N 3.1Å
374C38.8Very low45.9Very low84 Ų84104.8 Ų104.857%0.56860%0.599SS**EExtended strand (participates in β ladder)trans-73115.4161.8-60.60000107.1H376C374-H376 PolarHBondContact O-N 3.37Å
375V45.6Very low44.8Very low82 Ų82110.5 Ų110.550%0.49762%0.616SS.*EExtended strand (participates in β ladder)trans-82.1112.6170.7-177.50000107.1Q373 Y377Q373-V375 PolarHBondContact O-N 3.1Å; V375-Y377 PolarHBondContact O-N 2.85Å
376H42.6Very low43.7Very low124 Ų124120.3 Ų120.357%0.57465%0.65SS**EExtended strand (participates in β ladder)trans-72.1116.1169.9-167.9-76000107.9C374 P378C374-H376 PolarHBondContact O-N 3.37Å; H376-P378 WeakPolarHBondContact O-CD 3.16Å
377Y50.8Low42.5Very low141 Ų141119.9 Ų119.955%0.55366%0.661SS**PPolyproline II helixtrans-74.6119.5166.9-84.2-89.1000108V367 V375 E379V367-Y377 HydrophobicContact CG2-CD2 4.46Å; V367-Y377 HydrophobicContact CG2-CE2 4.23Å; V375-Y377 PolarHBondContact O-N 2.85Å; Y377-E379 PolarHBondContact O-N 2.97Å
378P44.2Very low41.4Very low104 Ų104130.1 Ų130.168%0.67570%0.696SS**PPolyproline II helixtrans-60.1134178.323.8-31.5000109.7H376 V380H376-P378 WeakPolarHBondContact O-CD 3.16Å; P378-V380 PolarHBondContact O-N 2.87Å
379E40.9Very low40.9Very low154 Ų154133.2 Ų133.272%0.7271%0.706SS**PPolyproline II helixtrans-59.7121.3172.6-160.5167-160.300107.9Y377 D381Y377-E379 PolarHBondContact O-N 2.97Å; E379-D381 PolarHBondContact O-N 3.02Å
380V48.8Very low40.2Very low124 Ų124139.6 Ų139.675%0.75273%0.728SS**  trans-81.5110.6178.9-179.80000108P378 S382P378-V380 PolarHBondContact O-N 2.87Å; V380-S382 PolarHBondContact O-N 3.26Å; V380-S382 VanDerWaalsContact O-N 3.13Å
381D36.4Very low39.5Very low157 Ų157139.5 Ų139.584%0.8474%0.736SS**  trans-61.7105.8176.8-148.2-4.3000110E379E379-D381 PolarHBondContact O-N 3.02Å
382S42.2Very low39.2Very low78 Ų78142.7 Ų142.755%0.54574%0.744SS.*PPolyproline II helixtrans-99.1120169.963.40000109.1V380V380-S382 PolarHBondContact O-N 3.26Å; V380-S382 VanDerWaalsContact O-N 3.13Å
383S37.5Very low38.8Very low112 Ų112143.2 Ų143.278%0.78374%0.74SS**PPolyproline II helixtrans-51.7161.9-174.582.60000115.4
384P34.6Very low39.1Very low123 Ų123147.6 Ų147.680%0.79975%0.75SS**PPolyproline II helixtrans-89.9123.6-145.533.9-33.4000113.2
385K37.5Very low39Very low202 Ų202155.2 Ų155.288%0.87877%0.767SS**  trans-123.6104.5148-73.7-171.1179.7-179.40108.7C387K385-C387 PolarHBondContact O-N 3.32Å
386R33.2Very low39.1Very low246 Ų246159.5 Ų159.593%0.92879%0.786SS**  trans-594.2172-70.7178178.5-178-0.4115.8
387C30.5Very low39Very low109 Ų109159.2 Ų159.274%0.73680%0.796SS**  trans-98101.6151.6-83.70000108.2K385 I389K385-C387 PolarHBondContact O-N 3.32Å; C387-I389 PolarHBondContact O-N 2.98Å
388R35.3Very low38.2Very low247 Ų247158.2 Ų158.293%0.93281%0.809SS**  trans-75.7102.2165.4-89.1-177.7173.3175-2.7107.5
389I36.6Very low37.8Very low137 Ų137157.6 Ų157.670%0.70381%0.813SS**  trans-109116162.5-67.2176.9000106.8C387 T391C387-I389 PolarHBondContact O-N 2.98Å; I389-T391 PolarHBondContact O-N 3.45Å
390M32.3Very low37.5Very low193 Ų193157.1 Ų157.195%0.95182%0.82SS**  trans-71107.2168-86.5-167.213000108.6
391T36.1Very low36.8Very low113 Ų113157.8 Ų157.869%0.69382%0.824SS**  trans-98.9108.3170.8-53.90000109.4I389 L393I389-T391 PolarHBondContact O-N 3.45Å; T391-L393 PolarHBondContact O-N 2.02Å
392L37.4Very low36.6Very low167 Ų167159.4 Ų159.487%0.87483%0.83SS**  trans-70.4105.5166.8-106.1147.6000109.1
393L35.6Very low36.3Very low160 Ų160165.1 Ų165.184%0.83884%0.844SS**  trans-76115.7170.1-80.3158.6000110T391T391-L393 PolarHBondContact O-N 2.02Å
394R43.3Very low35.9Very low243 Ų243166.3 Ų166.392%0.91785%0.847SS**  trans-112.2124.6155.8-91.4-172.9-179.5175.71.2109.9
395R37.3Very low36.1Very low243 Ų243167.5 Ų167.592%0.91785%0.845SS**  trans-60.6139.5178.8-61.8170.9172.5-176.8-3.9111.9
396L47.2Very low35.9Very low172 Ų172169.7 Ų169.790%0.90185%0.848SS**  trans-146.3145.1143.4-86.5176.1000109.9
397P41.2Very low36.1Very low119 Ų119161.4 Ų161.477%0.77384%0.839SS**  trans-94.6168-164.338.3-34.4000114.4
398S34.5Very low36.5Very low119 Ų119168.5 Ų168.583%0.83285%0.85SS**  trans-63.8164.6-168.3-45.50000118.1
399A35.1Very low36.6Very low92 Ų92162.5 Ų162.576%0.7685%0.846SS**  trans91.6103.2141.500000118.6
400V35.2Very low36.8Very low144 Ų144165.1 Ų165.187%0.87385%0.853SS**  trans-136.2114.8139.8-1790000108.7
401T34.8Very low37Very low137 Ų137164.3 Ų164.384%0.8485%0.846SS**PPolyproline II helixtrans-77.2126.2172.1160000110.2
402M30.8Very low37.2Very low192 Ų192168.1 Ų168.195%0.94686%0.856SS**PPolyproline II helixtrans-85.5118.9165.6-87.1-164.6-171.100110.2
403K35.5Very low37.2Very low197 Ų197164.6 Ų164.686%0.85785%0.851SS**PPolyproline II helixtrans-91.5120.2170.2-125.1178-176178.30109
404T29.3Very low37.4Very low137 Ų137165.1 Ų165.184%0.8485%0.853SS**PPolyproline II helixtrans-70.9121.5169.7-43.80000109.5
405I39.3Very low37Very low149 Ų149157.9 Ų157.976%0.76484%0.839SS**  trans-120.7111.4167.3-63180000108.7
406R33.6Very low36.9Very low248 Ų248155.7 Ų155.794%0.93684%0.837SS**  trans-64.6130158.6-82.6175.2167.4170.9-3.9108.4
407G37.8Very low36.4Very low72 Ų72152.8 Ų152.874%0.74283%0.83SS**  trans-158.8102171.800000111.5
408R37.9Very low36Very low257 Ų257152 Ų15297%0.9783%0.828SS**  trans-55.7139.7164.2-74.2171.5167.9171-4.7109.3
409S38Very low36.2Very low121 Ų121155.1 Ų155.185%0.84683%0.829SS**  trans-149.4137.7150.7-165.80000112.4
410K40.4Very low36.3Very low192 Ų192158.6 Ų158.684%0.83583%0.834SS**  trans-81.6158.2176.8-74.5175.21721800110.2
411Q36Very low36.5Very low176 Ų176158 Ų15882%0.82283%0.83SS**  trans-13.8131.6156.9-66.1166.2-24.700115.8
412H41.3Very low36.5Very low193 Ų193158.1 Ų158.189%0.89483%0.826SS**  -166.6134.5124.3-99.9-70.7000110.6
413A36Very low36.8Very low93 Ų93156.9 Ų156.977%0.76982%0.822SS**  trans-74.7137.8174.300000111.3
414I41.3Very low36.9Very low172 Ų172152.9 Ų152.988%0.88281%0.814SS**  trans-143.4129.7154.5-61.3-175.2000108.6
415S33.7Very low37.1Very low90 Ų90157.4 Ų157.463%0.62982%0.816SS**  trans-88163.4179.681.70000113.1
416K36.6Very low36.9Very low198 Ų198158.6 Ų158.686%0.86182%0.823SS**  trans72.3116.7155-66.2174.7-178.4-176.40117.1
417S35.3Very low36.9Very low110 Ų110155.7 Ų155.777%0.76982%0.817SS**  -178.6135.594.3-171.70000110.8
418S32.4Very low36.7Very low102 Ų102158.8 Ų158.871%0.71383%0.826SS**  trans-68.2136.4175.533.70000113.1
419H40.5Very low36.7Very low186 Ų186153.6 Ų153.686%0.86182%0.816SS**  trans-122.2115.9154.6-92.5-74.2000110.3
420L36.1Very low36.6Very low165 Ų165156.1 Ų156.186%0.86481%0.814SS**  trans-57.8130.2165.4-77.3140.3000110.4
421V40.4Very low36.3Very low131 Ų131152.1 Ų152.179%0.79481%0.808SS**  trans-126.6117.4152.3178.30000107.9
422N34.4Very low36.1Very low140 Ų140150.4 Ų150.475%0.74981%0.81SS**  trans-89.2119.1-178.5-160.7-11.5000107.4
423L37.3Very low35.6Very low166 Ų166148.8 Ų148.887%0.86981%0.807SS**  trans-133106.6165.2-97.1165.8000109.3
424T36.9Very low35.5Very low112 Ų112154.3 Ų154.369%0.68781%0.813SS**  trans-78.7156.1177.4-9.50000110.4
425R35Very low35.1Very low232 Ų232151.8 Ų151.888%0.87581%0.806SS**  trans86.9104.6163.2-60.4178.9175-167.1-1.5117.2
426L34.5Very low35Very low175 Ų175158.1 Ų158.192%0.91682%0.816SS**  -164.3124.8103.8-99.1151.7000110.5
427K34.1Very low34.8Very low186 Ų186152.3 Ų152.381%0.80981%0.805SS**  trans-71.6138.3174.4-68.9174173179.60109.7
428C33.3Very low34.5Very low137 Ų137156.3 Ų156.393%0.92680%0.804SS**  trans-149.5144.2144.1-89.20000109
429I37.5Very low34.4Very low149 Ų149159.7 Ų159.776%0.76481%0.811SS**  trans-107.1126-154.9-80.8166.6000109.1
430Q34.8Very low34.1Very low173 Ų173159 Ų15981%0.80881%0.808SS**  trans54.4168.8140.1-63.3-115.6-27.900121.5
431P35.1Very low33.7Very low108 Ų108156.3 Ų156.370%0.70181%0.81SS**  cis-125.9173.8-30.825.4-4000113.2
432T30.7Very low33.4Very low140 Ų140154.1 Ų154.186%0.85981%0.806SS**  trans-64.6140.1176.836.60000114.3
433L31.7Very low33.2Very low160 Ų160155.4 Ų155.484%0.83881%0.813SS**  trans-122.8109.8164.5-117.3150.9000108.5V435L433-V435 PolarHBondContact O-N 3.07Å
434K34Very low33.2Very low208 Ų208152.1 Ų152.190%0.90480%0.803SS**  trans-69.1108.8166.6-85.8177.4174.9172.70107.9
435V33.7Very low32.9Very low120 Ų120152.4 Ų152.473%0.72781%0.81SS**  trans-103.3115.7163.3-179.70000108.3L433 A437L433-V435 PolarHBondContact O-N 3.07Å; V435-A437 PolarHBondContact O-N 2.61Å
436R30.4Very low32.7Very low222 Ų222144.6 Ų144.684%0.83880%0.802SS**  trans-68.296.6166.4-164.2-177.7-158.3175.23.9106.9
437A32.9Very low32.7Very low76 Ų76142 Ų14263%0.62879%0.788SS**  trans-94.5105.1171.900000109.1V435 M439V435-A437 PolarHBondContact O-N 2.61Å; A437-M439 PolarHBondContact O-N 2.99Å
438Y28.6Very low32.5Very low194 Ų194138.5 Ų138.576%0.76178%0.784SS**  trans-55.2123.9145.9-80.1-104.1000106.9
439M31.6Very low32.2Very low174 Ų174140.8 Ų140.886%0.85778%0.779SS**  trans-116.487.5159.8-69.7-161.182.600107A437A437-M439 PolarHBondContact O-N 2.99Å
440E32.6Very low31.7Very low171 Ų171138.9 Ų138.980%0.79977%0.769SS**  trans-57.9149.2149-80.7173.7143.900109.5A442E440-A442 PolarHBondContact O-N 2.77Å
441A28Very low31.3Very low108 Ų108135.6 Ų135.689%0.89376%0.76SS**  trans-52.6115.2177.200000111.2
442A33.9Very low30.8Very low86 Ų86138.7 Ų138.771%0.71176%0.763SS**  trans-109.390.1158.200000107.5E440 S444E440-A442 PolarHBondContact O-N 2.77Å; A442-S444 PolarHBondContact O-N 2.65Å
443D31Very low30.8Very low167 Ų167140.9 Ų140.989%0.89376%0.763SS**  trans-53.8109.2155.2-153.62.7000107.6
444S36.6Very low30.7Very low96 Ų96142.3 Ų142.367%0.67177%0.765SS**  trans-166.8118.416349.40000111.6A442 G446A442-S444 PolarHBondContact O-N 2.65Å; S444-G446 PolarHBondContact O-N 2.98Å
445S31.4Very low30.6Very low119 Ų119140.6 Ų140.683%0.83277%0.765SS**  trans-45.496.4164.452.20000112.8
446G30.4Very low30.5Very low68 Ų68139.9 Ų139.970%0.70176%0.763SS**  trans-97.156.4167.700000111.9S444S444-G446 PolarHBondContact O-N 2.98Å
447L34Very low30.6Very low121 Ų121139.2 Ų139.263%0.63477%0.766SS**  trans-73.1139159.4-80.9164.6000107.5K449L447-K449 PolarHBondContact O-N 2.64Å
448P29.4Very low30.7Very low111 Ų111140.7 Ų140.772%0.72178%0.778SS**  trans-59.5109.6162.925.6-29.9000106.6I450P448-I450 PolarHBondContact O-N 2.88Å
449K27.5Very low30.7Very low186 Ų186136.5 Ų136.581%0.80978%0.777SS**  trans-59.1108.4164.3-76.2-177.7170.4176.70106L447 V451L447-K449 PolarHBondContact O-N 2.64Å; K449-V451 HydrophobicContact CB-CG2 3.53Å; K449-V451 HydrophobicContact CD-CG2 4.14Å; K449-V451 HydrophobicContact CG-CG2 4.43Å; K449-V451 PolarHBondContact O-N 3Å
450I26.9Very low30.9Very low109 Ų109139.9 Ų139.956%0.55978%0.78SS**  trans-69.286.2159.2-59.4174.5000104.7P448 F452P448-I450 PolarHBondContact O-N 2.88Å; I450-F452 HydrophobicContact CG2-CD2 4.34Å; I450-F452 HydrophobicContact CG2-CE2 3.99Å
451V27Very low30.8Very low103 Ų103139 Ų13962%0.62478%0.781SS**  trans-91.3111.1171.1-175.30000106.9K449 Q453K449-V451 HydrophobicContact CB-CG2 3.53Å; K449-V451 HydrophobicContact CD-CG2 4.14Å; K449-V451 HydrophobicContact CG-CG2 4.43Å; K449-V451 PolarHBondContact O-N 3Å; V451-Q453 PolarHBondContact O-N 3.31Å
452F25.2Very low31.2Very low174 Ų174141.9 Ų141.976%0.76378%0.781SS**  trans-70.7102.8157.7-72.1-90.4000107.5I450I450-F452 HydrophobicContact CG2-CD2 4.34Å; I450-F452 HydrophobicContact CG2-CE2 3.99Å
453Q31.2Very low31.3Very low185 Ų185142.2 Ų142.286%0.86478%0.778SS**  trans162127.3146.3-89.7166.1-0.800111.9V451V451-Q453 PolarHBondContact O-N 3.31Å
454H29Very low31.3Very low191 Ų191139.7 Ų139.788%0.88477%0.773SS**  trans-81.9136.2167.9-95.4-50.8000110.8
455L32Very low31.2Very low171 Ų171140.2 Ų140.290%0.89578%0.783SS**  trans-157.3153.1138.6-89.1-179.4000110.1
456P31.2Very low31.3Very low105 Ų105140.4 Ų140.468%0.68278%0.78SS**  trans-113.6162.1-158.840.1-29.7000117
457K31.8Very low31.3Very low209 Ų209142.9 Ų142.991%0.90978%0.781SS**  trans63.3124.1151.5-71.5177.2-177.9-177.70121
458A34.7Very low31.3Very low106 Ų106145.1 Ų145.188%0.87679%0.792SS**  -173.9145.3118.200000112.3
459S30.3Very low31.4Very low106 Ų106144.6 Ų144.674%0.74179%0.792SS**  trans-82.7161-174.560.70000115
460R35.5Very low32Very low246 Ų246145.8 Ų145.893%0.92880%0.797SS**  -171.1143.6127.4-101.7170.1-152.5-159.66.9112.5
461N30.4Very low32.4Very low153 Ų153147.1 Ų147.182%0.81881%0.805SS**  trans-76.8162.1-175.1-62.3-47.8000114.1
462L36.6Very low33Very low168 Ų168153.7 Ų153.788%0.8882%0.82SS**  trans-176.5101.7140.5-113.699.2000107.2
463S35.5Very low33.7Very low93 Ų93152 Ų15265%0.6582%0.819SS**  72.9102.185.173.50000117
464S31.9Very low34.2Very low113 Ų113150 Ų15079%0.7981%0.814SS**  trans52.9124.3130.452.70000123.1
465A34Very low34.5Very low107 Ų107145.5 Ų145.588%0.88480%0.804SS**  trans-157157139.400000111.7
466T33.3Very low34.9Very low124 Ų124146.9 Ų146.976%0.76180%0.802SS**  trans-129.7134.3-144.8-59.70000110.9
467V29.3Very low35.1Very low119 Ų119151.5 Ų151.572%0.72182%0.815SS**  trans57.9128.1141.7-171.40000121.2
468L35.3Very low35.5Very low168 Ų168145.3 Ų145.388%0.8881%0.811SS**  175.4125.6116.2-91.9168.7000111.5
469S31Very low35.6Very low101 Ų101145.6 Ų145.671%0.70681%0.806SS**  trans-89.6160.1177.950.90000112.7
470K39.6Very low36.2Very low211 Ų211151.7 Ų151.792%0.91781%0.814SS**  trans-149.8123.6154.3-149.5169.8-172173.20111.2
471D36.9Very low36.4Very low137 Ų137148.7 Ų148.773%0.73381%0.811SS**  trans-74.6151.4-179.1-59.1-60000113.1
472Y39.3Very low36.9Very low240 Ų240146.2 Ų146.294%0.94181%0.806SS**  trans-149124.6144.2-146.1-93.7000110.2
473L39.5Very low37Very low139 Ų139145.2 Ų145.273%0.72880%0.801SS**  trans-99.4172.8-173.8-101.6158.9000111.5
474D40.5Very low37.4Very low144 Ų144148.9 Ų148.977%0.7781%0.807SS**  trans89.5109.8164.6-68.7-22.5000118.5
475S36.9Very low37.9Very low95 Ų95151 Ų15166%0.66480%0.804SS**  cis95.2105.848.9-178.60000111.3
476K39.4Very low38.2Very low200 Ų200152.9 Ų152.987%0.8780%0.799SS**  172121.7111.1-91.3-166.7177.3-178.50111.5
477Q35.1Very low38.5Very low202 Ų202155.5 Ų155.594%0.94480%0.803SS**  trans-72.8149.7161-84.3162.8-41.900110.8
478G40.5Very low38.9Very low80 Ų80154 Ų15483%0.82580%0.803SS**  trans-152101.6161.600000108.8
479S37.4Very low39.2Very low111 Ų111154.8 Ų154.878%0.77680%0.799SS**  trans-74.3143173.955.60000111.3
480Y43Very low39.7Very low234 Ų234157.1 Ų157.192%0.91880%0.804SS**  trans-131.7114155.8-114.4-90.6000108.9
481E38.8Very low39.5Very low183 Ų183150.7 Ų150.786%0.85580%0.798SS**  trans-92.2136.9164.9-101.6179.1146.400108.9
482S41.2Very low39.6Very low102 Ų102148.7 Ų148.771%0.71380%0.8SS**  trans164.6107.2140.535.70000108.7
483L38.8Very low39.3Very low147 Ų147147.3 Ų147.377%0.7780%0.799SS**  60.3106.891.2-85.8155000113.5
484H44.2Very low39.2Very low169 Ų169145.6 Ų145.678%0.78281%0.805SS**  -176.9142.6106.6-100.6-77.8000113.5
485H42.8Very low38.9Very low159 Ų159147.4 Ų147.474%0.73681%0.814SS**  trans-15.5135.9164.1-75.5-16000120.1
486N39.2Very low38.8Very low145 Ų145146.5 Ų146.578%0.77582%0.819SS**  93.9136.863.5-117.82.8000113.3
487E40Very low38.4Very low180 Ų180146 Ų14684%0.84182%0.822SS**  trans78.1112.2167.9-61.7-174.2147.400116.9
488A37.8Very low38.3Very low87 Ų87142.8 Ų142.872%0.71982%0.816SS**  cis105.8134.949.700000111.6
489K41.9Very low37.9Very low184 Ų184147.7 Ų147.780%0.882%0.818SS**  trans94.9113.1159.7-61.7-178.5-179.8174.90119.1
490N41.5Very low37.9Very low150 Ų150153.7 Ų153.780%0.80284%0.839SS**  69.2106.7127.2-59.6-8.7000119.2
491G35.9Very low37.6Very low77 Ų77149.7 Ų149.779%0.79484%0.835SS**  90.8127.3108.300000117.9
492A38.4Very low37.5Very low94 Ų94147.9 Ų147.978%0.77783%0.834SS**  trans82.3100.7158.400000118.4
493F32.9Very low37.3Very low212 Ų212150.5 Ų150.593%0.9384%0.84SS**  31.7111.3123.9-85.1-93000118.2
494A37.8Very low37.2Very low102 Ų102150.7 Ų150.784%0.84385%0.845SS**  -169.1132.9122.200000110.3
495L32.9Very low36.8Very low183 Ų183149.6 Ų149.696%0.95885%0.848SS**  trans-60.9136174.6-74.3142000111.5
496G35.6Very low36.4Very low75 Ų75148.9 Ų148.977%0.77386%0.856SS**  trans-160.4100.1169.100000110
497M30.6Very low36.2Very low189 Ų189149.2 Ų149.293%0.93186%0.862SS**  trans-66.8132.4173.5-61.7-163.2-156.500110.7
498V33.8Very low35.9Very low136 Ų136146.8 Ų146.882%0.82486%0.863SS**  trans-143.4118.4148.8177.80000107.8
499Q30.8Very low35.8Very low183 Ų183151.8 Ų151.886%0.85588%0.875SS**  trans-69.8137.4164.5-87.2165.1-91.100109.7
500I37.2Very low35.2Very low237 Ų237148.9 Ų148.9100%1.21588%0.882SS**  trans-102.30147.6-61.8175.9000106.2

Retrieved 500 of 500 residues in 639.3 ms (Link to these results)