A0A096M167_POEFO Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M167, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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
1F30.6Very low28.6Very low256 Ų256181.4 Ų181.4100%1.12383%0.828SS**  0112.30-65.6-90.5000106.6
2Y29.7Very low29.1Very low229 Ų229181 Ų18190%0.89884%0.837SS**  cis-141.9149.120.2-124.3-98.9000108.9
3H26.7Very low29Very low150 Ų150175 Ų17569%0.69483%0.826SS**  trans-68.8143.9-179.7-95.8-13.7000113.7
4S28.3Very low28.8Very low114 Ų114171.4 Ų171.480%0.79782%0.824SS**  trans-140.598.8145.61740000108
5R29.6Very low29Very low199 Ų199167.5 Ų167.575%0.75183%0.832SS**  trans-75.9123169.6-76.7177-179.3179.9-2.4107.4
6N27.8Very low29Very low157 Ų157161.3 Ų161.384%0.8482%0.823SS**  trans-113.5129.2158.4-100.6-20.4000110.2
7H27.8Very low28.9Very low174 Ų174161.2 Ų161.281%0.80682%0.824SS**  trans-66.4136.1-164.7-93.5-85.2000113.5R9H7-R9 PolarHBondContact O-N 3.12Å
8F28.7Very low28.9Very low189 Ų189158.3 Ų158.383%0.82982%0.821SS**  trans-45.7117.7148.7-100.5-102.1000110.8P10F8-P10 HydrophobicContact CD1-CG 4.46Å
9R26.3Very low29.3Very low233 Ų233159.7 Ų159.788%0.87982%0.823SS**  trans-143.3105.4139.7-77.4-162.8-173.9-167.43107.9H7 K11H7-R9 PolarHBondContact O-N 3.12Å; R9-K11 PolarHBondContact O-N 2.68Å
10P30.2Very low29.4Very low101 Ų101155.1 Ų155.166%0.65682%0.816SS**  trans-64126.3156.9-8.224.3000106.7F8 L12F8-P10 HydrophobicContact CD1-CG 4.46Å; P10-L12 PolarHBondContact O-N 2.98Å; P10-L12 VanDerWaalsContact O-N 3.09Å
11K29.4Very low30.1Very low193 Ų193150 Ų15084%0.83980%0.796SS**  trans-53.5117164.1-83.2176.1172.4176.40107.1R9 C13R9-K11 PolarHBondContact O-N 2.68Å; K11-C13 VanDerWaalsContact C-N 3.29Å; K11-C13 PolarHBondContact O-N 3.13Å
12L33.9Very low31.3Very low177 Ų177140.5 Ų140.593%0.92777%0.771SS**  trans-56.9101156.3-92.693.2000106.7P10P10-L12 PolarHBondContact O-N 2.98Å; P10-L12 VanDerWaalsContact O-N 3.09Å
13C27.6Very low33.1Very low103 Ų103129.6 Ų129.670%0.69673%0.728SS**  trans-97.8142.4153.5-72.80000107.2K11K11-C13 VanDerWaalsContact C-N 3.29Å; K11-C13 PolarHBondContact O-N 3.13Å
14P26Very low35.4Very low124 Ų124123 Ų12381%0.80570%0.698SS**  trans-67.6151.2-159.826.4-33000112.6G16P14-G16 PolarHBondContact O-N 3.06Å
15A32.5Very low37.3Very low114 Ų114120.6 Ų120.694%0.94268%0.68SS**  trans-49.7111.2172.900000110.9
16G28.2Very low39Very low67 Ų67119.4 Ų119.469%0.69169%0.689SS**  trans-154.635.1172.600000109.9P14 S18P14-G16 PolarHBondContact O-N 3.06Å; G16-S18 PolarHBondContact O-N 2.84Å
17L28.8Very low40.8Very low160 Ų160113.9 Ų113.984%0.83867%0.668SS**  trans-64.3106.3160.9-81156.3000106.7
18S28.6Very low43.3Very low110 Ų110108.8 Ų108.877%0.76965%0.651SS**  trans-92.590.6148.240.20000106.4G16 G20G16-S18 PolarHBondContact O-N 2.84Å; S18-G20 PolarHBondContact O-N 2.71Å
19E36.1Very low46.2Very low185 Ų185101.9 Ų101.986%0.86462%0.622SS**  trans-61.8109.9152.8-76.9-179.4146.500107.3
20G31Very low49.2Very low66 Ų6694.3 Ų94.368%0.6860%0.599SS**  trans146.1122.4178.600000109.5S18S18-G20 PolarHBondContact O-N 2.71Å
21A44.9Very low52.1Low48 Ų4889.9 Ų89.940%0.39757%0.571SS.*  cis-157.293.519.700000109.1V23A21-V23 PolarHBondContact O-N 2.85Å
22G56.2Low55.1Low58 Ų5882.7 Ų82.760%0.59855%0.545SS*.  trans-64.596.4175.300000110.1N42G22-N42 PolarHBondContact O-ND2 2.85Å; G22-N42 PolarHBondContact O-OD1 3.3Å
23V65.9Low57.9Low0 Ų077 Ų770%052%0.517CS..  trans-81.5-26.8166174.20000109.8A21 T41 N42 L43 V105 I107 M115A21-V23 PolarHBondContact O-N 2.85Å; V23-T41 HydrophobicContact CG1-CG2 3.45Å; V23-T41 VanDerWaalsContact CG1-CG2 3.45Å; V23-T41 CarbonylContact O-C 3.55Å; V23-T41 WeakPolarHBondContact O-CA 3.44Å; V23-N42 VanDerWaalsContact CA-OD1 3.31Å; V23-N42 WeakPolarHBondContact CA-OD1 3.33Å; V23-N42 PolarHBondContact O-N 2.89Å; V23-N42 PolarHBondContact O-OD1 2.82Å; V23-N42 VanDerWaalsContact O-OD1 3.1Å; V23-L43 HydrophobicContact CG1-CD1 4.04Å; V23-L43 HydrophobicContact CG1-CG 4.09Å; V23-V105 HydrophobicContact CB-CG1 4.22Å; V23-V105 HydrophobicContact CG1-CG1 3.94Å; V23-I107 HydrophobicContact CG1-CD1 4.04Å; V23-M115 HydrophobicContact CG2-CB 3.95Å; V23-M115 HydrophobicContact CG2-CE 4.35Å
24L74.9Confident60.9Low11 Ų1174.3 Ų74.36%0.05851%0.507CS..SBendtrans-113.5155.6-174.9-63171.5000110.7R40 T41 W55 V105 T119L24-R40 WeakPolarHBondContact CD2-O 3.5Å; L24-T41 HydrophobicContact CD2-CG2 4.15Å; L24-W55 HydrophobicContact CD1-CH2 3.38Å; L24-W55 HydrophobicContact CD1-CZ2 4.42Å; L24-W55 HydrophobicContact CD1-CZ3 3.74Å; L24-W55 HydrophobicContact CD2-CH2 3.56Å; L24-W55 HydrophobicContact CD2-CZ2 4.05Å; L24-W55 HydrophobicContact CG-CH2 4.07Å; L24-V105 HydrophobicContact CD1-CB 4.48Å; L24-V105 HydrophobicContact CD1-CG1 3.87Å; L24-V105 HydrophobicContact CD2-CG1 4.48Å; L24-V105 HydrophobicContact CG-CG1 4.07Å; L24-T119 HydrophobicContact CD1-CG2 3.7Å
25P68.3Low64Low64 Ų6469.4 Ų69.442%0.41648%0.48SS..  trans-65.4156.5176.828.3-35.9000112.3R40P25-R40 VanDerWaalsContact CD-O 3.31Å; P25-R40 WeakPolarHBondContact CD-O 3.26Å
26D66.3Low66.8Low174 Ų17467.3 Ų67.393%0.9346%0.458SS*.SBendtrans-71.4133.4174.6-66.9-32.9000111.3
27G66Low69.8Low40 Ų4064.7 Ų64.741%0.41243%0.429SS..SBendtrans109.5172168.700000115.1T119G27-T119 PolarHBondContact O-OG1 3.47Å
28P79.9Confident72.8Confident68 Ų6859.6 Ų59.644%0.44240%0.401SS..EExtended strand (participates in β ladder)trans-74.6135.8170.329.2-31.3000111.2T120 D122P28-T120 CarbonylContact C-O 3.54Å; P28-T120 VanDerWaalsContact CA-O 3.23Å; P28-T120 WeakPolarHBondContact CA-O 3.5Å; P28-T120 HydrophobicContact CB-CG2 4.09Å; P28-D122 VanDerWaalsContact CB-OD2 3.26Å; P28-D122 WeakPolarHBondContact CB-OD2 3.31Å
29L88.4Confident75.7Confident43 Ų4354.4 Ų54.423%0.22537%0.365CS..EExtended strand (participates in β ladder)trans-85116.4167.7-60.2176.6000108.7V37 L39 T120 V121 D122L29-V37 HydrophobicContact CB-CG2 3.83Å; L29-V37 HydrophobicContact CD1-CG2 3.89Å; L29-L39 HydrophobicContact CD1-CD2 3.74Å; L29-L39 HydrophobicContact CD1-CG 4.38Å; L29-T120 PolarHBondContact N-O 3.03Å; L29-V121 HydrophobicContact CB-CG2 4.38Å; L29-V121 WeakPolarHBondContact O-CA 3.45Å; L29-D122 PolarHBondContact O-N 2.82Å
30N90.5Very high78.2Confident74 Ų7453.7 Ų53.740%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-86.4133179.4-59.1-35.8000110.7D122 Y124 P205N30-D122 WeakPolarHBondContact CA-O 3.16Å; N30-Y124 HydrophobicContact CB-CD2 4.46Å; N30-Y124 HydrophobicContact CB-CE2 4.02Å; N30-P205 HydrophobicContact CB-CB 4.02Å; N30-P205 WeakPolarHBondContact ND2-CB 3.04Å
31A90.3Very high80.8Confident9 Ų951.2 Ų51.27%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-141165.6175.900000111.6V37 L95 D122 V123 Y124A31-V37 HydrophobicContact CB-CB 4.21Å; A31-L95 HydrophobicContact CB-CD1 3.33Å; A31-D122 PolarHBondContact N-O 3.28Å; A31-V123 WeakPolarHBondContact O-CA 3.46Å; A31-Y124 PolarHBondContact O-N 3.32Å
32S92.6Very high82.7Confident41 Ų4154.1 Ų54.129%0.28734%0.335SS..EExtended strand (participates in β ladder)trans-104.7151176.455.40000111.9G34 G35 Y124S32-G34 PolarHBondContact O-N 2.66Å; S32-G35 WeakPolarHBondContact O-CA 3.14Å; S32-G35 PolarHBondContact O-N 3.27Å; S32-Y124 WeakPolarHBondContact CA-O 3.42Å
33V93.4Very high84Confident57 Ų5752.8 Ų52.835%0.34531%0.314SS..THydrogen-bonded Turntrans-53.9135.1168.4176.20000110.1G35 L95 L97 V123 Y124 E125V33-G35 PolarHBondContact O-N 3.3Å; V33-L95 CarbonylContact C-O 3.54Å; V33-L95 WeakPolarHBondContact CA-O 3.29Å; V33-L97 HydrophobicContact CG2-CD2 3.72Å; V33-L97 HydrophobicContact CG2-CG 3.93Å; V33-V123 HydrophobicContact CG2-CG1 3.87Å; V33-Y124 PolarHBondContact N-O 2.85Å; V33-E125 HydrophobicContact CG2-CG 4.36Å
34G91.1Very high84.7Confident47 Ų4759.7 Ų59.749%0.48535%0.351SS..THydrogen-bonded Turntrans79-11.9-173.900000114.6S32 L95S32-G34 PolarHBondContact O-N 2.66Å; G34-L95 PolarHBondContact N-O 3.17Å
35G91.1Very high84.9Confident22 Ų2263.2 Ų63.223%0.22738%0.376CS..  trans-81.3-163.6179.200000113.8S32 V33 R93 N94 L95S32-G35 WeakPolarHBondContact O-CA 3.14Å; S32-G35 PolarHBondContact O-N 3.27Å; V33-G35 PolarHBondContact O-N 3.3Å; G35-R93 CarbonylContact O-C 3.49Å; G35-N94 WeakPolarHBondContact O-CA 3.34Å; G35-N94 PolarHBondContact O-N 2.63Å; G35-L95 PolarHBondContact O-N 3.01Å
36S90.9Very high85.4Confident70 Ų7062.5 Ų62.549%0.4937%0.371SS..EExtended strand (participates in β ladder)trans-137.4147176.359.50000111.3L92S36-L92 CarbonylContact C-O 3.56Å; S36-L92 WeakPolarHBondContact CA-O 2.98Å; S36-L92 WeakPolarHBondContact CB-O 3.35Å
37V91.3Very high85.9Confident12 Ų1264.1 Ų64.17%0.07337%0.373CS..EExtended strand (participates in β ladder)trans-120.4140.5173.768.10000109.7L29 A31 L92 L95 V121L29-V37 HydrophobicContact CB-CG2 3.83Å; L29-V37 HydrophobicContact CD1-CG2 3.89Å; A31-V37 HydrophobicContact CB-CB 4.21Å; V37-L92 HydrophobicContact CG1-CB 4.11Å; V37-L92 PolarHBondContact N-O 3.4Å; V37-L92 PolarHBondContact O-N 3.06Å; V37-L95 HydrophobicContact CB-CD1 4.07Å; V37-L95 HydrophobicContact CG1-CD1 4.12Å; V37-L95 HydrophobicContact CG1-CD2 4.18Å; V37-V121 HydrophobicContact CG1-CG1 4.27Å
38M90.5Very high86.5Confident53 Ų5369.6 Ų69.626%0.26139%0.388SS..EExtended strand (participates in β ladder)trans-109.2105.3175-172.475-16500109.5R40 F84 E91M38-R40 HydrophobicContact CB-CG 4.25Å; M38-R40 HydrophobicContact CE-CG 4.45Å; M38-R40 HydrophobicContact CG-CG 3.41Å; M38-R40 VanDerWaalsContact CG-CG 3.41Å; M38-R40 PolarHBondContact O-N 2.92Å; M38-F84 HydrophobicContact CE-CD2 3.29Å; M38-F84 HydrophobicContact CE-CE2 3.3Å; M38-F84 HydrophobicContact CE-CG 4.22Å; M38-F84 HydrophobicContact CE-CZ 4.22Å; M38-F84 HydrophobicContact SD-CD2 4.39Å; M38-F84 HydrophobicContact SD-CE2 3.85Å; M38-E91 HydrophobicContact SD-CB 3.62Å; M38-E91 HydrophobicContact SD-CG 4.26Å
39L90Very high86.6Confident1 Ų170 Ų701%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-77.987.8173.1-66.2154000108.6L29 W55 S89 L90 Y103 T119 V121L29-L39 HydrophobicContact CD1-CD2 3.74Å; L29-L39 HydrophobicContact CD1-CG 4.38Å; L39-W55 HydrophobicContact CB-CH2 3.46Å; L39-W55 VanDerWaalsContact CB-CH2 3.46Å; L39-W55 HydrophobicContact CB-CZ2 3.81Å; L39-W55 HydrophobicContact CB-CZ3 4.06Å; L39-W55 HydrophobicContact CD1-CE3 4.17Å; L39-W55 HydrophobicContact CD1-CH2 4.17Å; L39-W55 HydrophobicContact CD1-CZ3 3.91Å; L39-W55 HydrophobicContact CD2-CH2 4.12Å; L39-W55 HydrophobicContact CD2-CZ3 4.05Å; L39-W55 HydrophobicContact CG-CH2 4.13Å; L39-W55 HydrophobicContact CG-CZ3 4.24Å; L39-S89 VanDerWaalsContact O-CA 3.26Å; L39-S89 WeakPolarHBondContact O-CA 3.41Å; L39-S89 VanDerWaalsContact O-CB 3.32Å; L39-S89 WeakPolarHBondContact O-CB 3.26Å; L39-L90 HydrophobicContact CB-CB 4.3Å; L39-L90 WeakPolarHBondContact CB-O 3.45Å; L39-L90 HydrophobicContact CD1-CB 4.22Å; L39-L90 HydrophobicContact CD1-CD2 3.99Å; L39-L90 HydrophobicContact CD1-CG 4.42Å; L39-L90 PolarHBondContact N-O 2.9Å; L39-L90 PolarHBondContact O-N 2.79Å; L39-Y103 HydrophobicContact CD1-CD1 3.84Å; L39-Y103 HydrophobicContact CD1-CE1 4.2Å; L39-Y103 HydrophobicContact CD1-CG 4.38Å; L39-Y103 HydrophobicContact CD2-CG 4.44Å; L39-T119 HydrophobicContact CD2-CG2 3.33Å; L39-V121 HydrophobicContact CD2-CG2 3.83Å
40R88.3Confident86.4Confident169 Ų16968.7 Ų68.764%0.63838%0.383SS*.  trans-87.3126.1-175.5-66.8-172.3176.91642.1111.7L24 P25 M38L24-R40 WeakPolarHBondContact CD2-O 3.5Å; P25-R40 VanDerWaalsContact CD-O 3.31Å; P25-R40 WeakPolarHBondContact CD-O 3.26Å; M38-R40 HydrophobicContact CB-CG 4.25Å; M38-R40 HydrophobicContact CE-CG 4.45Å; M38-R40 HydrophobicContact CG-CG 3.41Å; M38-R40 VanDerWaalsContact CG-CG 3.41Å; M38-R40 PolarHBondContact O-N 2.92Å
41T87.1Confident86.3Confident15 Ų1572.9 Ų72.99%0.09239%0.393CS..  trans-76.6149.116761.30000111V23 L24 L43 T87 G88 S89 I107V23-T41 HydrophobicContact CG1-CG2 3.45Å; V23-T41 VanDerWaalsContact CG1-CG2 3.45Å; V23-T41 CarbonylContact O-C 3.55Å; V23-T41 WeakPolarHBondContact O-CA 3.44Å; L24-T41 HydrophobicContact CD2-CG2 4.15Å; T41-L43 PolarHBondContact O-N 2.95Å; T41-T87 WeakPolarHBondContact CB-O 3.29Å; T41-T87 PolarHBondContact OG1-O 2.93Å; T41-G88 VanDerWaalsContact CG2-C 3.45Å; T41-S89 PolarHBondContact N-OG 3.42Å; T41-S89 PolarHBondContact OG1-OG 3.39Å; T41-I107 HydrophobicContact CG2-CD1 4.34Å
42N83.9Confident86.2Confident108 Ų10873.1 Ų73.158%0.57839%0.394SS*.SBendtrans-82.87170.868.7-6.6000113.5G22 V23G22-N42 PolarHBondContact O-ND2 2.85Å; G22-N42 PolarHBondContact O-OD1 3.3Å; V23-N42 VanDerWaalsContact CA-OD1 3.31Å; V23-N42 WeakPolarHBondContact CA-OD1 3.33Å; V23-N42 PolarHBondContact O-N 2.89Å; V23-N42 PolarHBondContact O-OD1 2.82Å; V23-N42 VanDerWaalsContact O-OD1 3.1Å
43L83.4Confident86.2Confident31 Ų3171.2 Ų71.216%0.16238%0.381CS..SBendtrans-74140.1177.2-57.1178.9000110.7V23 T41 F50 I107 M115V23-L43 HydrophobicContact CG1-CD1 4.04Å; V23-L43 HydrophobicContact CG1-CG 4.09Å; T41-L43 PolarHBondContact O-N 2.95Å; L43-F50 HydrophobicContact CB-CZ 4.46Å; L43-F50 HydrophobicContact CD1-CE2 4.03Å; L43-F50 HydrophobicContact CD1-CZ 3.84Å; L43-I107 HydrophobicContact CD1-CD1 3.51Å; L43-M115 HydrophobicContact CD1-SD 4.41Å; L43-M115 HydrophobicContact CD2-CE 3.68Å; L43-M115 HydrophobicContact CD2-SD 4.03Å
44N79.8Confident86.2Confident144 Ų14469.5 Ų69.577%0.7737%0.372SS*.PPolyproline II helixtrans-67.3144170.5-70.8-26.8000110.1T46N44-T46 PolarHBondContact O-N 3.36Å
45S79.6Confident86.3Confident85 Ų8567.3 Ų67.359%0.59435%0.348SS*.PPolyproline II helixtrans-58.9130.4173.1-172.10000110S86S45-S86 PolarHBondContact OG-OG 2.86Å
46T78.7Confident86.3Confident49 Ų4967.3 Ų67.330%0.30134%0.343SS..PPolyproline II helixtrans-91.6150.8177.446.10000110.8N44 E48 F50 S86N44-T46 PolarHBondContact O-N 3.36Å; T46-E48 WeakPolarHBondContact CB-O 3.41Å; T46-E48 PolarHBondContact OG1-O 2.88Å; T46-F50 HydrophobicContact CG2-CE1 3.81Å; T46-F50 HydrophobicContact CG2-CZ 3.87Å; T46-S86 PolarHBondContact N-O 2.83Å; T46-S86 VanDerWaalsContact N-O 3.1Å; T46-S86 PolarHBondContact OG1-O 3.29Å
47E76.3Confident86.2Confident208 Ų20865.3 Ų65.397%0.97233%0.326SS*.SBendtrans-69-37.3173.6-72.1-170.3165.100111.5
48E80Confident85.7Confident156 Ų15666.3 Ų66.373%0.72933%0.332SS*.SBendtrans-108135.1170.5-67.2-169.4168.200110.6T46T46-E48 WeakPolarHBondContact CB-O 3.41Å; T46-E48 PolarHBondContact OG1-O 2.88Å
49P81Confident84.9Confident75 Ų7571.4 Ų71.449%0.48736%0.36SS..  trans-64154.2-177.527.4-34.5000112.3R85P49-R85 HydrophobicContact CB-CB 3.82Å
50F85.8Confident84.4Confident16 Ų1675 Ų757%0.0739%0.386CS..  trans-59.3143.2177.2-63.8-59000112.3L43 T46 S52 V53 R85 S86 T87 I107 T109L43-F50 HydrophobicContact CB-CZ 4.46Å; L43-F50 HydrophobicContact CD1-CE2 4.03Å; L43-F50 HydrophobicContact CD1-CZ 3.84Å; T46-F50 HydrophobicContact CG2-CE1 3.81Å; T46-F50 HydrophobicContact CG2-CZ 3.87Å; F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.46Å; F50-V53 HydrophobicContact CB-CG2 3.82Å; F50-V53 HydrophobicContact CD2-CG2 4.17Å; F50-V53 HydrophobicContact CG-CG2 4.45Å; F50-R85 WeakPolarHBondContact CD2-O 3.4Å; F50-R85 PolarHBondContact N-O 3.39Å; F50-R85 PolarHBondContact O-NH2 2.95Å; F50-S86 WeakPolarHBondContact CE2-O 3.22Å; F50-T87 WeakPolarHBondContact CE2-O 3.5Å; F50-I107 HydrophobicContact CB-CG2 3.89Å; F50-I107 HydrophobicContact CD1-CG2 3.83Å; F50-I107 HydrophobicContact CD2-CG2 3.78Å; F50-I107 HydrophobicContact CE1-CG2 4.3Å; F50-I107 HydrophobicContact CE2-CG2 4.27Å; F50-I107 HydrophobicContact CG-CG2 3.54Å; F50-T109 HydrophobicContact CD1-CG2 3.82Å; F50-T109 HydrophobicContact CE1-CG2 3.86Å
51R87.2Confident83.8Confident162 Ų16273 Ų7361%0.61139%0.388SS*.SBendtrans-57.2-42.9-177.2-175.6-179.7-179.3-176.60.6111.1P68 L108R51-P68 HydrophobicContact CG-CG 4.24Å; R51-P68 VanDerWaalsContact O-CD 3.31Å; R51-P68 WeakPolarHBondContact O-CD 3.36Å; R51-P68 WeakPolarHBondContact O-CG 3.49Å; R51-L108 WeakPolarHBondContact CB-O 3.29Å; R51-L108 PolarHBondContact N-O 3.21Å
52S89.4Confident83.7Confident15 Ų1575 Ų7511%0.10540%0.401CS..EExtended strand (participates in β ladder)trans-146.8148.3165.572.50000112.2F50 S66 L108F50-S52 VanDerWaalsContact C-N 3.28Å; F50-S52 PolarHBondContact O-N 3.46Å; S52-S66 WeakPolarHBondContact CA-O 3.35Å; S52-S66 VanDerWaalsContact CB-O 3.22Å; S52-S66 WeakPolarHBondContact CB-O 3.36Å; S52-L108 PolarHBondContact N-O 2.95Å; S52-L108 PolarHBondContact O-N 2.69Å; S52-L108 WeakPolarHBondContact OG-CB 3.36Å; S52-L108 WeakPolarHBondContact OG-CD1 3.4Å
53V92.1Very high84.1Confident0 Ų069.9 Ų69.90%037%0.373CS..EExtended strand (participates in β ladder)trans-132.7123.6170.5-177.20000107.8F50 S66 L83 V105 I107F50-V53 HydrophobicContact CB-CG2 3.82Å; F50-V53 HydrophobicContact CD2-CG2 4.17Å; F50-V53 HydrophobicContact CG-CG2 4.45Å; V53-S66 PolarHBondContact N-O 3.28Å; V53-S66 VanDerWaalsContact N-O 3.12Å; V53-S66 WeakPolarHBondContact O-CB 3.43Å; V53-S66 PolarHBondContact O-N 3.22Å; V53-L83 HydrophobicContact CB-CD1 4.5Å; V53-L83 HydrophobicContact CB-CD2 4.4Å; V53-L83 HydrophobicContact CG1-CD1 3.94Å; V53-V105 HydrophobicContact CG1-CG2 4.07Å; V53-I107 HydrophobicContact CG1-CG1 4.31Å; V53-I107 HydrophobicContact CG2-CG1 4.48Å; V53-I107 HydrophobicContact CG2-CG2 4.5Å
54S92.1Very high84.5Confident22 Ų2268.6 Ų68.615%0.15437%0.367CS..EExtended strand (participates in β ladder)trans-120.8139.5171.659.60000111.7I64 N65 V105 N106S54-I64 CarbonylContact C-O 3.59Å; S54-I64 VanDerWaalsContact CA-O 3.26Å; S54-I64 WeakPolarHBondContact CA-O 3.44Å; S54-N65 WeakPolarHBondContact CB-OD1 3.46Å; S54-V105 CarbonylContact O-C 3.53Å; S54-V105 WeakPolarHBondContact O-CA 3.44Å; S54-N106 PolarHBondContact N-O 2.84Å; S54-N106 PolarHBondContact O-N 2.79Å
55W93.4Very high85.1Confident0 Ų064.4 Ų64.40%034%0.344CS..EExtended strand (participates in β ladder)trans-118.6134171.2-81.192.5000109.2L24 L39 I63 I64 G88 L90 Y103 R104 V105L24-W55 HydrophobicContact CD1-CH2 3.38Å; L24-W55 HydrophobicContact CD1-CZ2 4.42Å; L24-W55 HydrophobicContact CD1-CZ3 3.74Å; L24-W55 HydrophobicContact CD2-CH2 3.56Å; L24-W55 HydrophobicContact CD2-CZ2 4.05Å; L24-W55 HydrophobicContact CG-CH2 4.07Å; L39-W55 HydrophobicContact CB-CH2 3.46Å; L39-W55 VanDerWaalsContact CB-CH2 3.46Å; L39-W55 HydrophobicContact CB-CZ2 3.81Å; L39-W55 HydrophobicContact CB-CZ3 4.06Å; L39-W55 HydrophobicContact CD1-CE3 4.17Å; L39-W55 HydrophobicContact CD1-CH2 4.17Å; L39-W55 HydrophobicContact CD1-CZ3 3.91Å; L39-W55 HydrophobicContact CD2-CH2 4.12Å; L39-W55 HydrophobicContact CD2-CZ3 4.05Å; L39-W55 HydrophobicContact CG-CH2 4.13Å; L39-W55 HydrophobicContact CG-CZ3 4.24Å; W55-I63 HydrophobicContact CB-CB 4.43Å; W55-I63 WeakPolarHBondContact O-CA 3.43Å; W55-I63 WeakPolarHBondContact O-CB 3.28Å; W55-I63 PolarHBondContact O-N 2.94Å; W55-I64 HydrophobicContact CB-CG2 3.94Å; W55-I64 PolarHBondContact N-O 2.99Å; W55-I64 PolarHBondContact O-N 3.25Å; W55-G88 PolarHBondContact NE1-O 2.9Å; W55-L90 HydrophobicContact CB-CD2 3.89Å; W55-L90 HydrophobicContact CD2-CB 4.1Å; W55-L90 HydrophobicContact CD2-CD2 4.02Å; W55-L90 HydrophobicContact CG-CB 4.16Å; W55-L90 HydrophobicContact CG-CD2 3.72Å; W55-L90 HydrophobicContact CG-CG 4.47Å; W55-L90 HydrophobicContact CZ2-CB 4.19Å; W55-Y103 HydrophobicContact CE3-CD1 4.42Å; W55-R104 WeakPolarHBondContact CA-O 3.49Å; W55-V105 HydrophobicContact CD2-CB 3.81Å; W55-V105 HydrophobicContact CD2-CG2 3.95Å; W55-V105 VanDerWaalsContact CE2-CG2 3.45Å; W55-V105 HydrophobicContact CE3-CB 3.96Å; W55-V105 HydrophobicContact CG-CG2 4.3Å; W55-V105 HydrophobicContact CH2-CB 3.77Å; W55-V105 HydrophobicContact CH2-CG1 4.25Å; W55-V105 HydrophobicContact CH2-CG2 4.45Å; W55-V105 HydrophobicContact CZ2-CB 3.59Å; W55-V105 HydrophobicContact CZ2-CG1 4.23Å; W55-V105 HydrophobicContact CZ2-CG2 3.77Å; W55-V105 HydrophobicContact CZ3-CB 3.94Å
56N91.2Very high85.7Confident22 Ų2260.4 Ų60.412%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-148.8156.6178.865.3-84.4000110.4P62 R104 N106N56-P62 HydrophobicContact CB-CB 4.43Å; N56-R104 PolarHBondContact N-O 2.68Å; N56-R104 PolarHBondContact O-N 2.84Å; N56-N106 PolarHBondContact OD1-ND2 2.83Å
57F89.4Confident86.1Confident28 Ų2862.4 Ų62.412%0.12333%0.325CS..EExtended strand (participates in β ladder)trans-68.8142.6161.8-78.9-82.1000109.2D59 S60 I63 Y77 D102 Y103F57-D59 PolarHBondContact O-N 3.32Å; F57-S60 PolarHBondContact O-N 2.87Å; F57-S60 VanDerWaalsContact O-N 3.12Å; F57-I63 HydrophobicContact CD2-CD1 3.98Å; F57-I63 HydrophobicContact CD2-CG1 4.15Å; F57-I63 HydrophobicContact CE2-CD1 3.97Å; F57-I63 HydrophobicContact CE2-CG1 4.25Å; F57-Y77 WeakPolarHBondContact CE2-OH 3.41Å; F57-D102 CarbonylContact C-O 3.24Å; F57-D102 VanDerWaalsContact CA-O 3.27Å; F57-D102 WeakPolarHBondContact CA-O 3.45Å; F57-Y103 HydrophobicContact CD1-CD2 4.38Å; F57-Y103 HydrophobicContact CD1-CE2 4.15Å; F57-Y103 HydrophobicContact CE1-CD2 4.04Å; F57-Y103 HydrophobicContact CE1-CE1 4.29Å; F57-Y103 AromaticContact CE1-CE2 3.39Å; F57-Y103 HydrophobicContact CE1-CE2 3.39Å; F57-Y103 AromaticContact CE1-CZ 3.55Å; F57-Y103 HydrophobicContact CE2-CE1 4.38Å; F57-Y103 HydrophobicContact CZ-CE1 4.04Å; F57-Y103 AromaticContact CZ-CE2 3.78Å; F57-Y103 HydrophobicContact CZ-CE2 3.78Å; F57-Y103 AromaticContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-OH 3.22Å; F57-Y103 WeakPolarHBondContact CZ-OH 3.39Å
58V80.1Confident86.3Confident34 Ų3456.5 Ų56.521%0.20630%0.304CS..THydrogen-bonded Turntrans-52-36.6-172.2162.50000113.1D102 R104V58-D102 HydrophobicContact CB-CB 3.95Å; V58-D102 HydrophobicContact CG2-CB 3.68Å; V58-D102 PolarHBondContact N-O 3.13Å; V58-R104 HydrophobicContact CG2-CB 4.06Å
59D74.6Confident86.3Confident159 Ų15957 Ų5785%0.8531%0.312SS*.THydrogen-bonded Turntrans-118.718.8-179-63.5-42.7000114F57F57-D59 PolarHBondContact O-N 3.32Å
60S78.8Confident86.5Confident78 Ų7855.2 Ų55.255%0.54531%0.307SS..SBendtrans-141.2-176.4-175.6-176.30000113F57F57-S60 PolarHBondContact O-N 2.87Å; F57-S60 VanDerWaalsContact O-N 3.12Å
61N77.1Confident86.7Confident127 Ų12758.6 Ų58.668%0.67933%0.326SS*.  trans-59.7155.3-174.2-72.5-36.1000112.8I63N61-I63 PolarHBondContact O-N 3.43Å
62P84.7Confident86.8Confident55 Ų5555.8 Ų55.836%0.35733%0.327SS..EExtended strand (participates in β ladder)trans-65.6133.9175.727.8-34.3000111.6N56 N65 A74N56-P62 HydrophobicContact CB-CB 4.43Å; P62-N65 WeakPolarHBondContact CB-ND2 3.48Å; P62-A74 WeakPolarHBondContact O-CB 3.45Å
63I90.6Very high87Confident1 Ų157.3 Ų57.31%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-74.5-50.2172.8-64.5163.9000108.9W55 F57 N61 A74 Y77 I81 L90 Y103W55-I63 HydrophobicContact CB-CB 4.43Å; W55-I63 WeakPolarHBondContact O-CA 3.43Å; W55-I63 WeakPolarHBondContact O-CB 3.28Å; W55-I63 PolarHBondContact O-N 2.94Å; F57-I63 HydrophobicContact CD2-CD1 3.98Å; F57-I63 HydrophobicContact CD2-CG1 4.15Å; F57-I63 HydrophobicContact CE2-CD1 3.97Å; F57-I63 HydrophobicContact CE2-CG1 4.25Å; N61-I63 PolarHBondContact O-N 3.43Å; I63-A74 PolarHBondContact O-N 2.82Å; I63-Y77 HydrophobicContact CB-CD2 4.17Å; I63-Y77 HydrophobicContact CB-CE2 4.28Å; I63-Y77 HydrophobicContact CG1-CD2 4.24Å; I63-Y77 HydrophobicContact CG1-CE2 3.85Å; I63-Y77 HydrophobicContact CG2-CD1 4.29Å; I63-Y77 HydrophobicContact CG2-CD2 3.7Å; I63-Y77 HydrophobicContact CG2-CE2 4.17Å; I63-Y77 HydrophobicContact CG2-CG 3.8Å; I63-I81 HydrophobicContact CG2-CG2 4.49Å; I63-L90 HydrophobicContact CG2-CD2 4.33Å; I63-Y103 HydrophobicContact CD1-CD1 3.55Å; I63-Y103 HydrophobicContact CD1-CE1 3.35Å
64I92.8Very high86.9Confident5 Ų558.4 Ų58.43%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-148.5137.2175-180167.4000110.4S54 W55 N71 V72 I81 L83 L90S54-I64 CarbonylContact C-O 3.59Å; S54-I64 VanDerWaalsContact CA-O 3.26Å; S54-I64 WeakPolarHBondContact CA-O 3.44Å; W55-I64 HydrophobicContact CB-CG2 3.94Å; W55-I64 PolarHBondContact N-O 2.99Å; W55-I64 PolarHBondContact O-N 3.25Å; I64-N71 HydrophobicContact CD1-CB 4.41Å; I64-V72 CarbonylContact C-O 3.49Å; I64-V72 WeakPolarHBondContact CA-O 3.31Å; I64-I81 HydrophobicContact CB-CD1 3.7Å; I64-I81 HydrophobicContact CD1-CD1 3.67Å; I64-I81 HydrophobicContact CG1-CD1 4.21Å; I64-I81 HydrophobicContact CG2-CD1 3.94Å; I64-L83 HydrophobicContact CD1-CB 4.05Å; I64-L83 HydrophobicContact CD1-CD2 3.88Å; I64-L83 HydrophobicContact CG1-CD2 4.48Å; I64-L90 HydrophobicContact CG2-CD1 4.15Å
65N92.1Very high86.8Confident56 Ų5662.6 Ų62.630%0.29937%0.371SS..EExtended strand (participates in β ladder)trans-117.9109.6168.1-72.2-34.3000109S54 P62 N71 V72S54-N65 WeakPolarHBondContact CB-OD1 3.46Å; P62-N65 WeakPolarHBondContact CB-ND2 3.48Å; N65-N71 WeakPolarHBondContact O-CA 3.49Å; N65-V72 PolarHBondContact N-O 2.78Å; N65-V72 PolarHBondContact O-N 2.92Å
66S91.5Very high86.7Confident1 Ų168.6 Ų68.61%0.00740%0.399CS..EExtended strand (participates in β ladder)trans-99.4116.3176-177.50000110.5S52 V53 N71 R85S52-S66 WeakPolarHBondContact CA-O 3.35Å; S52-S66 VanDerWaalsContact CB-O 3.22Å; S52-S66 WeakPolarHBondContact CB-O 3.36Å; V53-S66 PolarHBondContact N-O 3.28Å; V53-S66 VanDerWaalsContact N-O 3.12Å; V53-S66 WeakPolarHBondContact O-CB 3.43Å; V53-S66 PolarHBondContact O-N 3.22Å; S66-N71 WeakPolarHBondContact CA-OD1 3.16Å; S66-N71 VanDerWaalsContact CB-OD1 3.22Å; S66-N71 WeakPolarHBondContact CB-OD1 3.41Å; S66-N71 PolarHBondContact OG-OD1 2.82Å; S66-R85 WeakPolarHBondContact OG-CD 3.36Å; S66-R85 PolarHBondContact OG-NE 2.74Å
67L87.4Confident86.7Confident91 Ų9168.1 Ų68.148%0.47640%0.396SS..EExtended strand (participates in β ladder)trans-116.9168178.5-67171.4000110D69 G70L67-D69 PolarHBondContact O-N 2.86Å; L67-G70 PolarHBondContact N-O 2.78Å; L67-G70 PolarHBondContact O-N 3.44Å
68P81.1Confident86.7Confident83 Ų8372.8 Ų72.854%0.53942%0.418SS..THydrogen-bonded Turntrans-57.9-33.2176.1-25.736.7000113.4R51R51-P68 HydrophobicContact CG-CG 4.24Å; R51-P68 VanDerWaalsContact O-CD 3.31Å; R51-P68 WeakPolarHBondContact O-CD 3.36Å; R51-P68 WeakPolarHBondContact O-CG 3.49Å
69D80.9Confident87.2Confident167 Ų16778 Ų7889%0.89345%0.445SS*.THydrogen-bonded Turntrans-90.2-1.1-174.1-53-34.2000113.5L67L67-D69 PolarHBondContact O-N 2.86Å
70G84.5Confident88.1Confident38 Ų3872.1 Ų72.139%0.39241%0.411SS..EExtended strand (participates in β ladder)trans149.6169.9178.600000114.2L67L67-G70 PolarHBondContact N-O 2.78Å; L67-G70 PolarHBondContact O-N 3.44Å
71N89.4Confident88.8Confident87 Ų8769.5 Ų69.547%0.46539%0.391SS..EExtended strand (participates in β ladder)trans-105.8137174.8-66.1-4.6000109.9I64 N65 S66I64-N71 HydrophobicContact CD1-CB 4.41Å; N65-N71 WeakPolarHBondContact O-CA 3.49Å; S66-N71 WeakPolarHBondContact CA-OD1 3.16Å; S66-N71 VanDerWaalsContact CB-OD1 3.22Å; S66-N71 WeakPolarHBondContact CB-OD1 3.41Å; S66-N71 PolarHBondContact OG-OD1 2.82Å
72V90.7Very high89.6Confident102 Ų10265.5 Ų65.562%0.61837%0.37SS*.EExtended strand (participates in β ladder)trans-116.8112.8171.5-177.20000108.1I64 N65I64-V72 CarbonylContact C-O 3.49Å; I64-V72 WeakPolarHBondContact CA-O 3.31Å; N65-V72 PolarHBondContact N-O 2.78Å; N65-V72 PolarHBondContact O-N 2.92Å
73T92.4Very high89.9Confident47 Ų4764.3 Ų64.329%0.28836%0.361SS..EExtended strand (participates in β ladder)trans-105.8139.7177.3-56.30000109I81T73-I81 HydrophobicContact CG2-CD1 3.46Å; T73-I81 VanDerWaalsContact CG2-CD1 3.46Å; T73-I81 HydrophobicContact CG2-CG1 4.04Å
74A91Very high89.9Confident23 Ų2368.2 Ų68.219%0.1938%0.378CS..  trans-67.9142.1173.700000110.8P62 I63 E76 Y77 E78P62-A74 WeakPolarHBondContact O-CB 3.45Å; I63-A74 PolarHBondContact O-N 2.82Å; A74-E76 PolarHBondContact O-N 2.01Å; A74-E76 VanDerWaalsContact O-N 3.09Å; A74-Y77 HydrophobicContact CB-CD2 4.03Å; A74-Y77 HydrophobicContact CB-CE2 4.46Å; A74-Y77 PolarHBondContact O-N 2.75Å; A74-E78 PolarHBondContact O-N 3.46Å
75P90.1Very high89.7Confident111 Ų11171 Ų7172%0.72139%0.389SS*.G310 helixtrans-55.6-33.5-170.5-2834.6000115.1Y77 E78P75-Y77 PolarHBondContact O-N 2.76Å; P75-E78 WeakPolarHBondContact O-CB 3.48Å; P75-E78 PolarHBondContact O-N 3.48Å
76E89.4Confident89.4Confident126 Ų12670.3 Ų70.359%0.58939%0.388SS*.G310 helixtrans-70.4-13.7-179.267.2-168.4-165.900114.5A74 R80A74-E76 PolarHBondContact O-N 2.01Å; A74-E76 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NH1 3.28Å
77Y91.4Very high89.2Confident11 Ų1171.6 Ų71.64%0.04340%0.396CS..G310 helixtrans-113.22.1177.1-53.8-72.1000113.1F57 I63 A74 P75 D79 R80 I81 L92F57-Y77 WeakPolarHBondContact CE2-OH 3.41Å; I63-Y77 HydrophobicContact CB-CD2 4.17Å; I63-Y77 HydrophobicContact CB-CE2 4.28Å; I63-Y77 HydrophobicContact CG1-CD2 4.24Å; I63-Y77 HydrophobicContact CG1-CE2 3.85Å; I63-Y77 HydrophobicContact CG2-CD1 4.29Å; I63-Y77 HydrophobicContact CG2-CD2 3.7Å; I63-Y77 HydrophobicContact CG2-CE2 4.17Å; I63-Y77 HydrophobicContact CG2-CG 3.8Å; A74-Y77 HydrophobicContact CB-CD2 4.03Å; A74-Y77 HydrophobicContact CB-CE2 4.46Å; A74-Y77 PolarHBondContact O-N 2.75Å; P75-Y77 PolarHBondContact O-N 2.76Å; Y77-D79 PolarHBondContact O-N 3.22Å; Y77-R80 PolarHBondContact O-N 3.42Å; Y77-R80 VanDerWaalsContact O-N 3.08Å; Y77-I81 PolarHBondContact O-N 2.93Å; Y77-L92 HydrophobicContact CD1-CD1 3.83Å
78E89.4Confident89.2Confident127 Ų12767.3 Ų67.359%0.59337%0.373SS*.THydrogen-bonded Turntrans-57.6137174.2-161.9164.5-161.600109.5A74 P75 R80A74-E78 PolarHBondContact O-N 3.46Å; P75-E78 WeakPolarHBondContact O-CB 3.48Å; P75-E78 PolarHBondContact O-N 3.48Å; E78-R80 PolarHBondContact O-N 3.41Å
79D90.6Very high89.7Confident144 Ų14463.7 Ų63.777%0.7735%0.35SS*.THydrogen-bonded Turntrans61.3-11.2-171.1-57.7-39.7000117.3Y77 R93Y77-D79 PolarHBondContact O-N 3.22Å; D79-R93 PolarHBondContact O-NH2 2.91Å
80R93.5Very high90.2Very high35 Ų3555.7 Ų55.713%0.13231%0.307CS..THydrogen-bonded Turntrans-91-10.4-178.7-66178.559.3-153-5.9113.7E76 Y77 E78 L92 R93 N94 N96 D99E76-R80 PolarHBondContact O-NH1 3.28Å; Y77-R80 PolarHBondContact O-N 3.42Å; Y77-R80 VanDerWaalsContact O-N 3.08Å; E78-R80 PolarHBondContact O-N 3.41Å; R80-L92 HydrophobicContact CB-CD1 4.14Å; R80-L92 CarbonylContact O-C 3.58Å; R80-L92 WeakPolarHBondContact O-CA 2.9Å; R80-R93 PolarHBondContact NE-O 3.35Å; R80-R93 PolarHBondContact NH2-O 2.85Å; R80-R93 WeakPolarHBondContact O-CB 3.35Å; R80-R93 PolarHBondContact O-N 2.9Å; R80-N94 VanDerWaalsContact CZ-O 3.27Å; R80-N94 PolarHBondContact NE-O 2.88Å; R80-N94 PolarHBondContact NH2-O 2.73Å; R80-N96 PolarHBondContact NH1-ND2 2.95Å; R80-D99 IonicContact CZ-OD1 2.99Å; R80-D99 IonicContact CZ-OD2 2.88Å; R80-D99 IonicContact NH1-OD1 3.28Å; R80-D99 IonicContact NH1-OD2 3.84Å; R80-D99 IonicContact NH2-OD1 2.94Å; R80-D99 PolarHBondContact NH2-OD1 3.14Å; R80-D99 IonicContact NH2-OD2 3.54Å; R80-D99 PolarHBondContact NH2-OD2 2.83Å
81I94.1Very high90.6Very high23 Ų2356.3 Ų56.312%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-118.4150.5-177.162.7167.5000114.4I63 I64 T73 Y77 L90 E91 L92I63-I81 HydrophobicContact CG2-CG2 4.49Å; I64-I81 HydrophobicContact CB-CD1 3.7Å; I64-I81 HydrophobicContact CD1-CD1 3.67Å; I64-I81 HydrophobicContact CG1-CD1 4.21Å; I64-I81 HydrophobicContact CG2-CD1 3.94Å; T73-I81 HydrophobicContact CG2-CD1 3.46Å; T73-I81 VanDerWaalsContact CG2-CD1 3.46Å; T73-I81 HydrophobicContact CG2-CG1 4.04Å; Y77-I81 PolarHBondContact O-N 2.93Å; I81-L90 HydrophobicContact CB-CD1 3.91Å; I81-L90 HydrophobicContact CD1-CD1 4.25Å; I81-L90 HydrophobicContact CG2-CD1 4.23Å; I81-E91 CarbonylContact C-O 3.58Å; I81-E91 WeakPolarHBondContact CA-O 3.46Å; I81-L92 HydrophobicContact CG2-CB 4.43Å; I81-L92 HydrophobicContact CG2-CD1 3.53Å
82T93.1Very high90.8Very high42 Ų4252.2 Ų52.226%0.25828%0.278SS..EExtended strand (participates in β ladder)trans-127117.7164.8-45.50000108.8F84 E91 R93T82-F84 HydrophobicContact CG2-CE1 4.41Å; T82-F84 HydrophobicContact CG2-CE2 4.01Å; T82-F84 HydrophobicContact CG2-CZ 3.88Å; T82-E91 WeakPolarHBondContact CB-OE2 3.28Å; T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 3.03Å; T82-E91 PolarHBondContact OG1-OE2 3Å; T82-R93 PolarHBondContact OG1-NH1 2.89Å
83L92.3Very high91Very high30 Ų3051.7 Ų51.716%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-96.2123.5176.9-177.970.9000111.1V53 I64 R85 L90V53-L83 HydrophobicContact CB-CD1 4.5Å; V53-L83 HydrophobicContact CB-CD2 4.4Å; V53-L83 HydrophobicContact CG1-CD1 3.94Å; I64-L83 HydrophobicContact CD1-CB 4.05Å; I64-L83 HydrophobicContact CD1-CD2 3.88Å; I64-L83 HydrophobicContact CG1-CD2 4.48Å; L83-R85 HydrophobicContact CD2-CG 3.97Å; L83-R85 HydrophobicContact CG-CG 4.25Å; L83-R85 PolarHBondContact O-N 3.24Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L83-L90 HydrophobicContact CD1-CD1 4.2Å
84F90.8Very high91Very high84 Ų8454.6 Ų54.637%0.36828%0.278SS..EExtended strand (participates in β ladder)trans-9687.8176.3-60.8-90.8000109.9M38 T82 S86 T87 G88 S89 E91M38-F84 HydrophobicContact CE-CD2 3.29Å; M38-F84 HydrophobicContact CE-CE2 3.3Å; M38-F84 HydrophobicContact CE-CG 4.22Å; M38-F84 HydrophobicContact CE-CZ 4.22Å; M38-F84 HydrophobicContact SD-CD2 4.39Å; M38-F84 HydrophobicContact SD-CE2 3.85Å; T82-F84 HydrophobicContact CG2-CE1 4.41Å; T82-F84 HydrophobicContact CG2-CE2 4.01Å; T82-F84 HydrophobicContact CG2-CZ 3.88Å; F84-S86 VanDerWaalsContact C-N 3.25Å; F84-S86 PolarHBondContact O-N 2.95Å; F84-S86 VanDerWaalsContact O-N 3.16Å; F84-T87 PolarHBondContact O-N 2.71Å; F84-T87 PolarHBondContact O-OG1 3.43Å; F84-G88 WeakPolarHBondContact O-CA 3.42Å; F84-G88 PolarHBondContact O-N 2.95Å; F84-S89 PolarHBondContact N-O 3.46Å; F84-S89 PolarHBondContact O-N 2.88Å; F84-E91 HydrophobicContact CE2-CB 4.03Å
85R88.4Confident91Very high64 Ų6453.6 Ų53.624%0.24227%0.27CS..THydrogen-bonded Turntrans-62.2-23.3-172.5-68.4-169.566.7177.92.9115.7P49 F50 S66 L83P49-R85 HydrophobicContact CB-CB 3.82Å; F50-R85 WeakPolarHBondContact CD2-O 3.4Å; F50-R85 PolarHBondContact N-O 3.39Å; F50-R85 PolarHBondContact O-NH2 2.95Å; S66-R85 WeakPolarHBondContact OG-CD 3.36Å; S66-R85 PolarHBondContact OG-NE 2.74Å; L83-R85 HydrophobicContact CD2-CG 3.97Å; L83-R85 HydrophobicContact CG-CG 4.25Å; L83-R85 PolarHBondContact O-N 3.24Å
86S86.1Confident91.1Very high41 Ų4150.9 Ų50.929%0.28725%0.25SC..THydrogen-bonded Turntrans-78.1-21.6179.456.80000113.4S45 T46 F50 F84S45-S86 PolarHBondContact OG-OG 2.86Å; T46-S86 PolarHBondContact N-O 2.83Å; T46-S86 VanDerWaalsContact N-O 3.1Å; T46-S86 PolarHBondContact OG1-O 3.29Å; F50-S86 WeakPolarHBondContact CE2-O 3.22Å; F84-S86 VanDerWaalsContact C-N 3.25Å; F84-S86 PolarHBondContact O-N 2.95Å; F84-S86 VanDerWaalsContact O-N 3.16Å
87T87.6Confident91.2Very high28 Ų2848.5 Ų48.517%0.17224%0.24CC..THydrogen-bonded Turntrans-112.1-26.2176.267.10000112.1T41 F50 F84 S89T41-T87 WeakPolarHBondContact CB-O 3.29Å; T41-T87 PolarHBondContact OG1-O 2.93Å; F50-T87 WeakPolarHBondContact CE2-O 3.5Å; F84-T87 PolarHBondContact O-N 2.71Å; F84-T87 PolarHBondContact O-OG1 3.43Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 WeakPolarHBondContact OG1-CB 3.3Å; T87-S89 PolarHBondContact OG1-N 2.95Å; T87-S89 PolarHBondContact OG1-OG 3.47Å
88G87.1Confident91.2Very high0 Ų054.9 Ų54.90%028%0.275CS..THydrogen-bonded Turntrans87.43.7-172.300000113.4T41 W55 F84T41-G88 VanDerWaalsContact CG2-C 3.45Å; W55-G88 PolarHBondContact NE1-O 2.9Å; F84-G88 WeakPolarHBondContact O-CA 3.42Å; F84-G88 PolarHBondContact O-N 2.95Å
89S90.6Very high91.2Very high7 Ų749 Ų495%0.04925%0.248CC..EExtended strand (participates in β ladder)trans-76.3151.8-177.6-52.30000112.2L39 T41 F84 T87L39-S89 VanDerWaalsContact O-CA 3.26Å; L39-S89 WeakPolarHBondContact O-CA 3.41Å; L39-S89 VanDerWaalsContact O-CB 3.32Å; L39-S89 WeakPolarHBondContact O-CB 3.26Å; T41-S89 PolarHBondContact N-OG 3.42Å; T41-S89 PolarHBondContact OG1-OG 3.39Å; F84-S89 PolarHBondContact N-O 3.46Å; F84-S89 PolarHBondContact O-N 2.88Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 WeakPolarHBondContact OG1-CB 3.3Å; T87-S89 PolarHBondContact OG1-N 2.95Å; T87-S89 PolarHBondContact OG1-OG 3.47Å
90L92Very high91.3Very high0 Ų044.1 Ų44.10%023%0.225CC..EExtended strand (participates in β ladder)trans-124.7126.8177.8-176.870.6000110.4L39 W55 I63 I64 I81 L83L39-L90 HydrophobicContact CB-CB 4.3Å; L39-L90 WeakPolarHBondContact CB-O 3.45Å; L39-L90 HydrophobicContact CD1-CB 4.22Å; L39-L90 HydrophobicContact CD1-CD2 3.99Å; L39-L90 HydrophobicContact CD1-CG 4.42Å; L39-L90 PolarHBondContact N-O 2.9Å; L39-L90 PolarHBondContact O-N 2.79Å; W55-L90 HydrophobicContact CB-CD2 3.89Å; W55-L90 HydrophobicContact CD2-CB 4.1Å; W55-L90 HydrophobicContact CD2-CD2 4.02Å; W55-L90 HydrophobicContact CG-CB 4.16Å; W55-L90 HydrophobicContact CG-CD2 3.72Å; W55-L90 HydrophobicContact CG-CG 4.47Å; W55-L90 HydrophobicContact CZ2-CB 4.19Å; I63-L90 HydrophobicContact CG2-CD2 4.33Å; I64-L90 HydrophobicContact CG2-CD1 4.15Å; I81-L90 HydrophobicContact CB-CD1 3.91Å; I81-L90 HydrophobicContact CD1-CD1 4.25Å; I81-L90 HydrophobicContact CG2-CD1 4.23Å; L83-L90 HydrophobicContact CB-CD1 4.36Å; L83-L90 HydrophobicContact CD1-CD1 4.2Å
91E92.9Very high91.1Very high51 Ų5143.5 Ų43.524%0.23823%0.229CC..EExtended strand (participates in β ladder)trans-92.1129.9162.3-174.5-173.5-146.400108.4M38 I81 T82 F84 R93M38-E91 HydrophobicContact SD-CB 3.62Å; M38-E91 HydrophobicContact SD-CG 4.26Å; I81-E91 CarbonylContact C-O 3.58Å; I81-E91 WeakPolarHBondContact CA-O 3.46Å; T82-E91 WeakPolarHBondContact CB-OE2 3.28Å; T82-E91 PolarHBondContact N-O 3.11Å; T82-E91 PolarHBondContact O-N 3.03Å; T82-E91 PolarHBondContact OG1-OE2 3Å; F84-E91 HydrophobicContact CE2-CB 4.03Å; E91-R93 HydrophobicContact CG-CG 3.95Å; E91-R93 IonicContact OE2-NH1 2.82Å; E91-R93 PolarHBondContact OE2-NH1 2.54Å
92L93.1Very high90.9Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-118.4128.5169.9175.663.2000108.9S36 V37 Y77 R80 I81 L95 D99 Y103S36-L92 CarbonylContact C-O 3.56Å; S36-L92 WeakPolarHBondContact CA-O 2.98Å; S36-L92 WeakPolarHBondContact CB-O 3.35Å; V37-L92 HydrophobicContact CG1-CB 4.11Å; V37-L92 PolarHBondContact N-O 3.4Å; V37-L92 PolarHBondContact O-N 3.06Å; Y77-L92 HydrophobicContact CD1-CD1 3.83Å; R80-L92 HydrophobicContact CB-CD1 4.14Å; R80-L92 CarbonylContact O-C 3.58Å; R80-L92 WeakPolarHBondContact O-CA 2.9Å; I81-L92 HydrophobicContact CG2-CB 4.43Å; I81-L92 HydrophobicContact CG2-CD1 3.53Å; L92-L95 HydrophobicContact CB-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CD2 3.48Å; L92-L95 VanDerWaalsContact CD2-CD2 3.48Å; L92-L95 HydrophobicContact CG-CD2 3.6Å; L92-D99 HydrophobicContact CD2-CB 4.28Å; L92-Y103 HydrophobicContact CD2-CE1 4.46Å
93R94.3Very high90.8Very high92 Ų9244.1 Ų44.135%0.34723%0.231SC..EExtended strand (participates in β ladder)trans-119.2163.9-172.4-57.2179.1-67.9-133.4-2.6111.4G35 D79 R80 T82 E91 L95G35-R93 CarbonylContact O-C 3.49Å; D79-R93 PolarHBondContact O-NH2 2.91Å; R80-R93 PolarHBondContact NE-O 3.35Å; R80-R93 PolarHBondContact NH2-O 2.85Å; R80-R93 WeakPolarHBondContact O-CB 3.35Å; R80-R93 PolarHBondContact O-N 2.9Å; T82-R93 PolarHBondContact OG1-NH1 2.89Å; E91-R93 HydrophobicContact CG-CG 3.95Å; E91-R93 IonicContact OE2-NH1 2.82Å; E91-R93 PolarHBondContact OE2-NH1 2.54Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-L95 PolarHBondContact O-N 2.84Å
94N92.4Very high90.7Very high107 Ų10746.2 Ų46.257%0.57224%0.237SC*.SBendtrans51.554.4-179.1-170.627.4000111G35 R80G35-N94 WeakPolarHBondContact O-CA 3.34Å; G35-N94 PolarHBondContact O-N 2.63Å; R80-N94 VanDerWaalsContact CZ-O 3.27Å; R80-N94 PolarHBondContact NE-O 2.88Å; R80-N94 PolarHBondContact NH2-O 2.73Å
95L92.8Very high90.8Very high2 Ų242.2 Ų42.21%0.0122%0.219CC..  trans-63.1148.2-175.3-69.2167.6000112.2A31 V33 G34 G35 V37 L92 R93 D99 V123A31-L95 HydrophobicContact CB-CD1 3.33Å; V33-L95 CarbonylContact C-O 3.54Å; V33-L95 WeakPolarHBondContact CA-O 3.29Å; G34-L95 PolarHBondContact N-O 3.17Å; G35-L95 PolarHBondContact O-N 3.01Å; V37-L95 HydrophobicContact CB-CD1 4.07Å; V37-L95 HydrophobicContact CG1-CD1 4.12Å; V37-L95 HydrophobicContact CG1-CD2 4.18Å; L92-L95 HydrophobicContact CB-CD2 4.4Å; L92-L95 HydrophobicContact CD2-CD2 3.48Å; L92-L95 VanDerWaalsContact CD2-CD2 3.48Å; L92-L95 HydrophobicContact CG-CD2 3.6Å; R93-L95 VanDerWaalsContact C-N 3.34Å; R93-L95 PolarHBondContact O-N 2.84Å; L95-D99 VanDerWaalsContact CA-OD2 3.28Å; L95-D99 WeakPolarHBondContact CA-OD2 3.48Å; L95-D99 HydrophobicContact CD2-CB 3.96Å; L95-V123 HydrophobicContact CB-CG1 4.11Å; L95-V123 HydrophobicContact CB-CG2 4.42Å; L95-V123 HydrophobicContact CD1-CG2 4.48Å; L95-V123 HydrophobicContact CD2-CG2 4.45Å
96N92.3Very high90.8Very high55 Ų5541.3 Ų41.329%0.29422%0.22SC..  trans-128.8169.1170.569.976.3000109.3R80 N98 D99R80-N96 PolarHBondContact NH1-ND2 2.95Å; N96-N98 PolarHBondContact O-N 2.9Å; N96-N98 WeakPolarHBondContact OD1-CA 3.48Å; N96-N98 VanDerWaalsContact OD1-CB 3.28Å; N96-N98 WeakPolarHBondContact OD1-CB 3.33Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N96-D99 PolarHBondContact N-OD2 3.21Å; N96-D99 VanDerWaalsContact ND2-CG 3.31Å; N96-D99 PolarHBondContact ND2-OD1 2.93Å; N96-D99 VanDerWaalsContact ND2-OD1 3.08Å; N96-D99 PolarHBondContact ND2-OD2 2.89Å; N96-D99 WeakPolarHBondContact O-CB 3.28Å; N96-D99 PolarHBondContact O-N 3.02Å; N96-D99 PolarHBondContact OD1-N 3.43Å
97L91.2Very high91Very high75 Ų7539.4 Ų39.439%0.39321%0.206SC..G310 helixtrans-60.9-30.9-174.8-67.8174.9000113.8V33 D99 S100 V123 E125V33-L97 HydrophobicContact CG2-CD2 3.72Å; V33-L97 HydrophobicContact CG2-CG 3.93Å; L97-D99 PolarHBondContact O-N 2.87Å; L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.1Å; L97-V123 WeakPolarHBondContact CD2-O 3.42Å; L97-E125 HydrophobicContact CD1-CG 4.09Å; L97-E125 HydrophobicContact CD2-CG 4.02Å; L97-E125 HydrophobicContact CG-CG 4.43Å
98N89.9Confident91Very high145 Ų14542 Ų4278%0.77522%0.218SC*.G310 helixtrans-75.1-11.3179.8-61.9-18.2000113N96 S100N96-N98 PolarHBondContact O-N 2.9Å; N96-N98 WeakPolarHBondContact OD1-CA 3.48Å; N96-N98 VanDerWaalsContact OD1-CB 3.28Å; N96-N98 WeakPolarHBondContact OD1-CB 3.33Å; N96-N98 PolarHBondContact OD1-N 2.86Å; N98-S100 PolarHBondContact O-N 3.46Å
99D91.1Very high90.8Very high4 Ų443.4 Ų43.42%0.02123%0.227CC..G310 helixtrans-76.7-3.5172.6-52.6-43.1000111.8R80 L92 L95 N96 L97 Y103 V123R80-D99 IonicContact CZ-OD1 2.99Å; R80-D99 IonicContact CZ-OD2 2.88Å; R80-D99 IonicContact NH1-OD1 3.28Å; R80-D99 IonicContact NH1-OD2 3.84Å; R80-D99 IonicContact NH2-OD1 2.94Å; R80-D99 PolarHBondContact NH2-OD1 3.14Å; R80-D99 IonicContact NH2-OD2 3.54Å; R80-D99 PolarHBondContact NH2-OD2 2.83Å; L92-D99 HydrophobicContact CD2-CB 4.28Å; L95-D99 VanDerWaalsContact CA-OD2 3.28Å; L95-D99 WeakPolarHBondContact CA-OD2 3.48Å; L95-D99 HydrophobicContact CD2-CB 3.96Å; N96-D99 PolarHBondContact N-OD2 3.21Å; N96-D99 VanDerWaalsContact ND2-CG 3.31Å; N96-D99 PolarHBondContact ND2-OD1 2.93Å; N96-D99 VanDerWaalsContact ND2-OD1 3.08Å; N96-D99 PolarHBondContact ND2-OD2 2.89Å; N96-D99 WeakPolarHBondContact O-CB 3.28Å; N96-D99 PolarHBondContact O-N 3.02Å; N96-D99 PolarHBondContact OD1-N 3.43Å; L97-D99 PolarHBondContact O-N 2.87Å; D99-Y103 WeakPolarHBondContact O-CE2 3.47Å; D99-Y103 PolarHBondContact O-OH 2.73Å; D99-V123 HydrophobicContact CB-CG2 4.3Å
100S91.3Very high90.3Very high42 Ų4246.7 Ų46.729%0.29426%0.255SS..  trans-70.7135.8173.1-500000111L97 N98 V121 V123L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.09Å; L97-S100 PolarHBondContact O-OG 3.1Å; N98-S100 PolarHBondContact O-N 3.46Å; S100-V121 CarbonylContact C-O 3.58Å; S100-V121 WeakPolarHBondContact CA-O 3.36Å; S100-V123 WeakPolarHBondContact OG-CB 3.09Å; S100-V123 PolarHBondContact OG-N 3.25Å
101G90.1Very high89.5Confident21 Ų2153.7 Ų53.722%0.21630%0.298CS..EExtended strand (participates in β ladder)trans155.2-171.917600000113.7Y103 T120 V121G101-Y103 VanDerWaalsContact O-CD2 3.29Å; G101-Y103 WeakPolarHBondContact O-CD2 3.34Å; G101-T120 CarbonylContact O-C 3.53Å; G101-T120 WeakPolarHBondContact O-CA 3.39Å; G101-V121 PolarHBondContact N-O 2.8Å; G101-V121 PolarHBondContact O-N 2.83Å
102D90.4Very high88.7Confident78 Ų7853 Ų5342%0.41730%0.304SS..EExtended strand (participates in β ladder)trans-89.8119.6180-65.5-39.7000111.1F57 V58 T120F57-D102 CarbonylContact C-O 3.24Å; F57-D102 VanDerWaalsContact CA-O 3.27Å; F57-D102 WeakPolarHBondContact CA-O 3.45Å; V58-D102 HydrophobicContact CB-CB 3.95Å; V58-D102 HydrophobicContact CG2-CB 3.68Å; V58-D102 PolarHBondContact N-O 3.13Å; D102-T120 WeakPolarHBondContact OD1-CB 3.26Å; D102-T120 WeakPolarHBondContact OD1-CG2 3.2Å; D102-T120 PolarHBondContact OD1-OG1 3.1Å
103Y90.4Very high88.1Confident0 Ų057.8 Ų57.80%034%0.335CS..EExtended strand (participates in β ladder)trans-100142.1179.3-72.2-110000110.4L39 W55 F57 I63 L92 D99 G101 N118 T119 V121L39-Y103 HydrophobicContact CD1-CD1 3.84Å; L39-Y103 HydrophobicContact CD1-CE1 4.2Å; L39-Y103 HydrophobicContact CD1-CG 4.38Å; L39-Y103 HydrophobicContact CD2-CG 4.44Å; W55-Y103 HydrophobicContact CE3-CD1 4.42Å; F57-Y103 HydrophobicContact CD1-CD2 4.38Å; F57-Y103 HydrophobicContact CD1-CE2 4.15Å; F57-Y103 HydrophobicContact CE1-CD2 4.04Å; F57-Y103 HydrophobicContact CE1-CE1 4.29Å; F57-Y103 AromaticContact CE1-CE2 3.39Å; F57-Y103 HydrophobicContact CE1-CE2 3.39Å; F57-Y103 AromaticContact CE1-CZ 3.55Å; F57-Y103 HydrophobicContact CE2-CE1 4.38Å; F57-Y103 HydrophobicContact CZ-CE1 4.04Å; F57-Y103 AromaticContact CZ-CE2 3.78Å; F57-Y103 HydrophobicContact CZ-CE2 3.78Å; F57-Y103 AromaticContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-CZ 3.41Å; F57-Y103 VanDerWaalsContact CZ-OH 3.22Å; F57-Y103 WeakPolarHBondContact CZ-OH 3.39Å; I63-Y103 HydrophobicContact CD1-CD1 3.55Å; I63-Y103 HydrophobicContact CD1-CE1 3.35Å; L92-Y103 HydrophobicContact CD2-CE1 4.46Å; D99-Y103 WeakPolarHBondContact O-CE2 3.47Å; D99-Y103 PolarHBondContact O-OH 2.73Å; G101-Y103 VanDerWaalsContact O-CD2 3.29Å; G101-Y103 WeakPolarHBondContact O-CD2 3.34Å; Y103-N118 CarbonylContact O-C 3.56Å; Y103-N118 VanDerWaalsContact O-CA 3.22Å; Y103-N118 WeakPolarHBondContact O-CA 3.39Å; Y103-T119 PolarHBondContact N-O 3.22Å; Y103-T119 PolarHBondContact O-N 2.8Å; Y103-V121 HydrophobicContact CD2-CB 3.97Å; Y103-V121 HydrophobicContact CD2-CG2 3.57Å; Y103-V121 HydrophobicContact CE2-CB 3.62Å; Y103-V121 HydrophobicContact CE2-CG2 3.58Å; Y103-V121 HydrophobicContact CG-CG2 4.31Å
104R90.4Very high87.7Confident74 Ų7457.8 Ų57.828%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-124.2135.8173.7179.5174.7-62.8160.26.3110.1W55 N56 V58 T116 G117 N118W55-R104 WeakPolarHBondContact CA-O 3.49Å; N56-R104 PolarHBondContact N-O 2.68Å; N56-R104 PolarHBondContact O-N 2.84Å; V58-R104 HydrophobicContact CG2-CB 4.06Å; R104-T116 HydrophobicContact CG-CG2 3.8Å; R104-G117 CarbonylContact C-O 3.55Å; R104-G117 WeakPolarHBondContact CA-O 3.13Å; R104-N118 WeakPolarHBondContact CB-OD1 3.25Å; R104-N118 VanDerWaalsContact CG-OD1 3.24Å; R104-N118 WeakPolarHBondContact CG-OD1 3.43Å; R104-N118 PolarHBondContact NE-OD1 2.78Å
105V91.4Very high87.5Confident0 Ų055.3 Ų55.30%033%0.332CS..EExtended strand (participates in β ladder)trans-107.8136.5166.169.20000109.9V23 L24 V53 S54 W55 I107 T116 G117V23-V105 HydrophobicContact CB-CG1 4.22Å; V23-V105 HydrophobicContact CG1-CG1 3.94Å; L24-V105 HydrophobicContact CD1-CB 4.48Å; L24-V105 HydrophobicContact CD1-CG1 3.87Å; L24-V105 HydrophobicContact CD2-CG1 4.48Å; L24-V105 HydrophobicContact CG-CG1 4.07Å; V53-V105 HydrophobicContact CG1-CG2 4.07Å; S54-V105 CarbonylContact O-C 3.53Å; S54-V105 WeakPolarHBondContact O-CA 3.44Å; W55-V105 HydrophobicContact CD2-CB 3.81Å; W55-V105 HydrophobicContact CD2-CG2 3.95Å; W55-V105 VanDerWaalsContact CE2-CG2 3.45Å; W55-V105 HydrophobicContact CE3-CB 3.96Å; W55-V105 HydrophobicContact CG-CG2 4.3Å; W55-V105 HydrophobicContact CH2-CB 3.77Å; W55-V105 HydrophobicContact CH2-CG1 4.25Å; W55-V105 HydrophobicContact CH2-CG2 4.45Å; W55-V105 HydrophobicContact CZ2-CB 3.59Å; W55-V105 HydrophobicContact CZ2-CG1 4.23Å; W55-V105 HydrophobicContact CZ2-CG2 3.77Å; W55-V105 HydrophobicContact CZ3-CB 3.94Å; V105-I107 HydrophobicContact CG2-CD1 4.09Å; V105-I107 HydrophobicContact CG2-CG1 3.81Å; V105-T116 VanDerWaalsContact O-CA 3.24Å; V105-T116 WeakPolarHBondContact O-CA 3.38Å; V105-G117 PolarHBondContact N-O 2.78Å; V105-G117 PolarHBondContact O-N 2.96Å
106N90Very high87.3Confident46 Ų4658 Ų5825%0.24635%0.349CS..EExtended strand (participates in β ladder)trans-122.6126.7168-50.6-78.9000109.4S54 N56 M115 T116S54-N106 PolarHBondContact N-O 2.84Å; S54-N106 PolarHBondContact O-N 2.79Å; N56-N106 PolarHBondContact OD1-ND2 2.83Å; N106-M115 WeakPolarHBondContact CA-O 3.15Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.07Å; N106-T116 PolarHBondContact OD1-OG1 3.01Å
107I89.3Confident87Confident1 Ų155.5 Ų55.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-122.8126-175.1-57.1177.8000108.8V23 T41 L43 F50 V53 V105 P114 M115V23-I107 HydrophobicContact CG1-CD1 4.04Å; T41-I107 HydrophobicContact CG2-CD1 4.34Å; L43-I107 HydrophobicContact CD1-CD1 3.51Å; F50-I107 HydrophobicContact CB-CG2 3.89Å; F50-I107 HydrophobicContact CD1-CG2 3.83Å; F50-I107 HydrophobicContact CD2-CG2 3.78Å; F50-I107 HydrophobicContact CE1-CG2 4.3Å; F50-I107 HydrophobicContact CE2-CG2 4.27Å; F50-I107 HydrophobicContact CG-CG2 3.54Å; V53-I107 HydrophobicContact CG1-CG1 4.31Å; V53-I107 HydrophobicContact CG2-CG1 4.48Å; V53-I107 HydrophobicContact CG2-CG2 4.5Å; V105-I107 HydrophobicContact CG2-CD1 4.09Å; V105-I107 HydrophobicContact CG2-CG1 3.81Å; I107-P114 WeakPolarHBondContact O-CA 3.37Å; I107-M115 HydrophobicContact CB-CB 4.48Å; I107-M115 PolarHBondContact N-O 2.88Å; I107-M115 PolarHBondContact O-N 2.85Å
108L88.4Confident86.9Confident81 Ų8156.1 Ų56.142%0.42434%0.34SS..EExtended strand (participates in β ladder)trans-106.2119.9168.5-73.4162.4000108.9R51 S52 P114R51-L108 WeakPolarHBondContact CB-O 3.29Å; R51-L108 PolarHBondContact N-O 3.21Å; S52-L108 PolarHBondContact N-O 2.95Å; S52-L108 PolarHBondContact O-N 2.69Å; S52-L108 WeakPolarHBondContact OG-CB 3.36Å; S52-L108 WeakPolarHBondContact OG-CD1 3.4Å; L108-P114 HydrophobicContact CD2-CB 3.75Å
109T82.1Confident86.8Confident31 Ų3149.6 Ų49.619%0.1931%0.306CS..  trans-85.9167174.867.50000110.6F50 G112F50-T109 HydrophobicContact CD1-CG2 3.82Å; F50-T109 HydrophobicContact CE1-CG2 3.86Å; T109-G112 VanDerWaalsContact OG1-C 3.3Å; T109-G112 WeakPolarHBondContact OG1-CA 3.31Å; T109-G112 PolarHBondContact OG1-N 2.81Å; T109-G112 PolarHBondContact OG1-O 2.74Å
110A79.4Confident86.8Confident76 Ų7651.3 Ų51.363%0.62832%0.317SS*.SBendtrans-68.8-33.5-179.400000113.1
111T76.3Confident86.7Confident147 Ų14749.3 Ų49.390%0.90230%0.303SS*.SBendtrans-136.3-3.2-169.552.50000114.6
112G75.3Confident86.8Confident35 Ų3550.6 Ų50.636%0.36131%0.305SS..SBendtrans-113.3174-177.900000114.1T109T109-G112 VanDerWaalsContact OG1-C 3.3Å; T109-G112 WeakPolarHBondContact OG1-CA 3.31Å; T109-G112 PolarHBondContact OG1-N 2.81Å; T109-G112 PolarHBondContact OG1-O 2.74Å
113P81.4Confident86.9Confident101 Ų10147.2 Ų47.266%0.65629%0.287SS*.  trans-64155.5177.228.1-34.5000112
114P84.8Confident87.1Confident92 Ų9248.8 Ų48.860%0.59729%0.293SS*.  trans-60.3142.6170.324.6-32000110.8I107 L108I107-P114 WeakPolarHBondContact O-CA 3.37Å; L108-P114 HydrophobicContact CD2-CB 3.75Å
115M88.3Confident87.2Confident55 Ų5549.5 Ų49.527%0.27130%0.299SS..EExtended strand (participates in β ladder)trans-118.5139.6177.3-53.9-179.381.100109.4V23 L43 N106 I107V23-M115 HydrophobicContact CG2-CB 3.95Å; V23-M115 HydrophobicContact CG2-CE 4.35Å; L43-M115 HydrophobicContact CD1-SD 4.41Å; L43-M115 HydrophobicContact CD2-CE 3.68Å; L43-M115 HydrophobicContact CD2-SD 4.03Å; N106-M115 WeakPolarHBondContact CA-O 3.15Å; I107-M115 HydrophobicContact CB-CB 4.48Å; I107-M115 PolarHBondContact N-O 2.88Å; I107-M115 PolarHBondContact O-N 2.85Å
116T88.4Confident87.3Confident58 Ų5852.2 Ų52.236%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-133.7133.3179.2-63.10000109.5R104 V105 N106R104-T116 HydrophobicContact CG-CG2 3.8Å; V105-T116 VanDerWaalsContact O-CA 3.24Å; V105-T116 WeakPolarHBondContact O-CA 3.38Å; N106-T116 WeakPolarHBondContact OD1-CG2 3.07Å; N106-T116 PolarHBondContact OD1-OG1 3.01Å
117G87.6Confident87.5Confident4 Ų450.9 Ų50.94%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-130148.9172.900000111.3R104 V105R104-G117 CarbonylContact C-O 3.55Å; R104-G117 WeakPolarHBondContact CA-O 3.13Å; V105-G117 PolarHBondContact N-O 2.78Å; V105-G117 PolarHBondContact O-N 2.96Å
118N88.1Confident87.8Confident87 Ų8753.4 Ų53.447%0.46533%0.328SS..EExtended strand (participates in β ladder)trans-121.4149174.3-58.8-28.3000110Y103 R104Y103-N118 CarbonylContact O-C 3.56Å; Y103-N118 VanDerWaalsContact O-CA 3.22Å; Y103-N118 WeakPolarHBondContact O-CA 3.39Å; R104-N118 WeakPolarHBondContact CB-OD1 3.25Å; R104-N118 VanDerWaalsContact CG-OD1 3.24Å; R104-N118 WeakPolarHBondContact CG-OD1 3.43Å; R104-N118 PolarHBondContact NE-OD1 2.78Å
119T88.9Confident88Confident8 Ų854.9 Ų54.95%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-153.2160.8171.1-170.10000108.9L24 G27 L39 Y103L24-T119 HydrophobicContact CD1-CG2 3.7Å; G27-T119 PolarHBondContact O-OG1 3.47Å; L39-T119 HydrophobicContact CD2-CG2 3.33Å; Y103-T119 PolarHBondContact N-O 3.22Å; Y103-T119 PolarHBondContact O-N 2.8Å
120T89.8Confident88.7Confident41 Ų4154.3 Ų54.325%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-105.3147.2177.2-51.60000108.5P28 L29 G101 D102P28-T120 CarbonylContact C-O 3.54Å; P28-T120 VanDerWaalsContact CA-O 3.23Å; P28-T120 WeakPolarHBondContact CA-O 3.5Å; P28-T120 HydrophobicContact CB-CG2 4.09Å; L29-T120 PolarHBondContact N-O 3.03Å; G101-T120 CarbonylContact O-C 3.53Å; G101-T120 WeakPolarHBondContact O-CA 3.39Å; D102-T120 WeakPolarHBondContact OD1-CB 3.26Å; D102-T120 WeakPolarHBondContact OD1-CG2 3.2Å; D102-T120 PolarHBondContact OD1-OG1 3.1Å
121V90.2Very high89.5Confident0 Ų054.9 Ų54.90%032%0.324CS..EExtended strand (participates in β ladder)trans-122.2126.9169.5178.80000107.8L29 V37 L39 S100 G101 Y103 V123L29-V121 HydrophobicContact CB-CG2 4.38Å; L29-V121 WeakPolarHBondContact O-CA 3.45Å; V37-V121 HydrophobicContact CG1-CG1 4.27Å; L39-V121 HydrophobicContact CD2-CG2 3.83Å; S100-V121 CarbonylContact C-O 3.58Å; S100-V121 WeakPolarHBondContact CA-O 3.36Å; G101-V121 PolarHBondContact N-O 2.8Å; G101-V121 PolarHBondContact O-N 2.83Å; Y103-V121 HydrophobicContact CD2-CB 3.97Å; Y103-V121 HydrophobicContact CD2-CG2 3.57Å; Y103-V121 HydrophobicContact CE2-CB 3.62Å; Y103-V121 HydrophobicContact CE2-CG2 3.58Å; Y103-V121 HydrophobicContact CG-CG2 4.31Å; V121-V123 HydrophobicContact CG1-CG2 4.09Å
122D91.6Very high90.4Very high48 Ų4848 Ų4826%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-112.5117.1174.4-70-38.2000109.2P28 L29 N30 A31 Y124P28-D122 VanDerWaalsContact CB-OD2 3.26Å; P28-D122 WeakPolarHBondContact CB-OD2 3.31Å; L29-D122 PolarHBondContact O-N 2.82Å; N30-D122 WeakPolarHBondContact CA-O 3.16Å; A31-D122 PolarHBondContact N-O 3.28Å; D122-Y124 HydrophobicContact CB-CD2 4.49Å; D122-Y124 HydrophobicContact CB-CE2 3.56Å; D122-Y124 WeakPolarHBondContact CB-OH 3.24Å
123V92.8Very high91.4Very high7 Ų749.8 Ų49.84%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-101123.7178.7-172.20000109.8A31 V33 L95 L97 D99 S100 V121A31-V123 WeakPolarHBondContact O-CA 3.46Å; V33-V123 HydrophobicContact CG2-CG1 3.87Å; L95-V123 HydrophobicContact CB-CG1 4.11Å; L95-V123 HydrophobicContact CB-CG2 4.42Å; L95-V123 HydrophobicContact CD1-CG2 4.48Å; L95-V123 HydrophobicContact CD2-CG2 4.45Å; L97-V123 WeakPolarHBondContact CD2-O 3.42Å; D99-V123 HydrophobicContact CB-CG2 4.3Å; S100-V123 WeakPolarHBondContact OG-CB 3.09Å; S100-V123 PolarHBondContact OG-N 3.25Å; V121-V123 HydrophobicContact CG1-CG2 4.09Å
124Y93.9Very high92.1Very high32 Ų3247.1 Ų47.113%0.12527%0.272CS..EExtended strand (participates in β ladder)trans-112.6145.4-178.2-57.5-83.5000112.1N30 A31 S32 V33 D122 S155 P205 A206N30-Y124 HydrophobicContact CB-CD2 4.46Å; N30-Y124 HydrophobicContact CB-CE2 4.02Å; A31-Y124 PolarHBondContact O-N 3.32Å; S32-Y124 WeakPolarHBondContact CA-O 3.42Å; V33-Y124 PolarHBondContact N-O 2.85Å; D122-Y124 HydrophobicContact CB-CD2 4.49Å; D122-Y124 HydrophobicContact CB-CE2 3.56Å; D122-Y124 WeakPolarHBondContact CB-OH 3.24Å; Y124-S155 WeakPolarHBondContact CA-OG 3.33Å; Y124-P205 HydrophobicContact CD2-CB 4.18Å; Y124-P205 HydrophobicContact CD2-CG 4.45Å; Y124-P205 HydrophobicContact CE1-CG 4.11Å; Y124-P205 HydrophobicContact CE2-CB 3.65Å; Y124-P205 HydrophobicContact CE2-CG 3.83Å; Y124-A206 HydrophobicContact CD2-CB 4.14Å
125E93.6Very high92.4Very high90 Ų9048 Ų4842%0.42127%0.268SS..PPolyproline II helixtrans-69.4128.6163.6-63.9-170.215400109.4V33 L97 S155 N204V33-E125 HydrophobicContact CG2-CG 4.36Å; L97-E125 HydrophobicContact CD1-CG 4.09Å; L97-E125 HydrophobicContact CD2-CG 4.02Å; L97-E125 HydrophobicContact CG-CG 4.43Å; E125-S155 PolarHBondContact N-OG 2.87Å; E125-S155 PolarHBondContact O-N 3.48Å; E125-N204 PolarHBondContact O-ND2 3.44Å
126P92.8Very high92.6Very high57 Ų5750.2 Ų50.237%0.3728%0.28SS..PPolyproline II helixtrans-67.1147.6-176.127.8-34.6000112.1S128 S207P126-S128 PolarHBondContact O-N 2.87Å; P126-S207 WeakPolarHBondContact CA-OG 3.41Å
127V95.1Very high92.8Very high18 Ų1849.5 Ų49.511%0.10927%0.274CS..PPolyproline II helixtrans-61.6125.8175.7-179.80000109.6V130 S153 L157 V202 N204 S207V127-V130 HydrophobicContact CG1-CG2 3.69Å; V127-S153 WeakPolarHBondContact CA-O 3.32Å; V127-L157 HydrophobicContact CG2-CD2 3.78Å; V127-V202 HydrophobicContact CG1-CB 3.91Å; V127-V202 HydrophobicContact CG1-CG1 3.85Å; V127-V202 HydrophobicContact CG2-CG1 4.37Å; V127-N204 HydrophobicContact CG2-CB 4.3Å; V127-S207 PolarHBondContact N-OG 3.15Å
128S94.3Very high93.1Very high54 Ų5453.6 Ų53.638%0.37830%0.295SS..EExtended strand (participates in β ladder)trans-147.4167.7175.857.10000111.9P126 V130 S152 S153P126-S128 PolarHBondContact O-N 2.87Å; S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact O-N 2.94Å; S128-S152 PolarHBondContact O-OG 2.86Å; S128-S153 PolarHBondContact N-O 2.96Å; S128-S153 PolarHBondContact O-N 2.85Å
129N94.2Very high93.4Very high111 Ų11151.4 Ų51.459%0.59428%0.283SS*.EExtended strand (participates in β ladder)trans51.643.5176.5-56.6-40000114.2I131 S151N129-I131 PolarHBondContact O-N 3.09Å; N129-S151 VanDerWaalsContact O-O 3.12Å
130V96.6Very high93.7Very high19 Ų1954.1 Ų54.112%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-72.2110.6177.3-167.50000109.3V127 S128 S151 V202V127-V130 HydrophobicContact CG1-CG2 3.69Å; S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact O-N 2.94Å; V130-S151 WeakPolarHBondContact CA-O 3.41Å; V130-V202 HydrophobicContact CG1-CB 4.34Å; V130-V202 HydrophobicContact CG1-CG2 3.56Å; V130-V202 HydrophobicContact CG2-CB 4.14Å; V130-V202 HydrophobicContact CG2-CG2 4.21Å
131I95Very high93.9Very high88 Ų8853.2 Ų53.245%0.45129%0.289SS..EExtended strand (participates in β ladder)trans-129133.5-174.7-62.2166.4000109.2N129 C150 S151N129-I131 PolarHBondContact O-N 3.09Å; I131-C150 WeakPolarHBondContact O-CA 3.47Å; I131-S151 PolarHBondContact N-O 3.22Å; I131-S151 PolarHBondContact O-N 2.57Å
132V96.9Very high94Very high4 Ų459.5 Ų59.52%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-106.2135.5168.8173.10000110F148 S149 C150 W161 C200 S211 A214V132-F148 HydrophobicContact CG1-CB 4.24Å; V132-F148 HydrophobicContact CG1-CD1 4.29Å; V132-S149 CarbonylContact C-O 3.6Å; V132-S149 WeakPolarHBondContact CA-O 3.41Å; V132-C150 HydrophobicContact CG2-CB 4.12Å; V132-W161 HydrophobicContact CG1-CH2 3.92Å; V132-W161 HydrophobicContact CG1-CZ3 3.91Å; V132-W161 HydrophobicContact CG2-CH2 3.84Å; V132-W161 HydrophobicContact CG2-CZ3 3.8Å; V132-C200 HydrophobicContact CG2-CB 3.44Å; V132-C200 VanDerWaalsContact CG2-CB 3.44Å; V132-S211 WeakPolarHBondContact CG2-OG 3.19Å; V132-A214 HydrophobicContact CB-CB 4.39Å; V132-A214 HydrophobicContact CG1-CB 3.53Å
133S94.9Very high93.7Very high72 Ų7260.6 Ų60.650%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-137.4140.9176.8177.10000111.1S149S133-S149 PolarHBondContact N-O 2.83Å; S133-S149 PolarHBondContact O-N 2.01Å
134P95.5Very high93.4Very high44 Ų4461.4 Ų61.429%0.28634%0.338SS..  cis-73.4158-7.231.4-35.6000112.3L137 A214P134-L137 HydrophobicContact CB-CD2 4.37Å; P134-L137 HydrophobicContact CB-CG 4.36Å; P134-L137 HydrophobicContact CG-CD1 3.5Å; P134-L137 VanDerWaalsContact CG-CD1 3.5Å; P134-L137 HydrophobicContact CG-CD2 3.71Å; P134-L137 HydrophobicContact CG-CG 3.52Å; P134-A214 WeakPolarHBondContact O-CB 3.5Å
135Q92.3Very high93.4Very high110 Ų11063.1 Ų63.151%0.51435%0.354SS..SBendtrans-80.3-28.5-178.6-170.9174.420.500113.5N212 Q213 A214 N215Q135-N212 PolarHBondContact NE2-ND2 3.1Å; Q135-Q213 WeakPolarHBondContact CG-O 3.39Å; Q135-A214 CarbonylContact O-C 3.56Å; Q135-A214 WeakPolarHBondContact O-CA 3.4Å; Q135-N215 PolarHBondContact O-N 2.87Å
136I91.9Very high93.4Very high103 Ų10359.1 Ų59.153%0.52834%0.336SS..EExtended strand (participates in β ladder)trans-138.2132.7179.2-59.1176.3000108N215 F217I136-N215 WeakPolarHBondContact CA-O 3.3Å; I136-F217 HydrophobicContact CG2-CD2 4Å; I136-F217 HydrophobicContact CG2-CE2 3.88Å
137L92.6Very high93.5Very high43 Ų4358.3 Ų58.323%0.22533%0.332CS..EExtended strand (participates in β ladder)trans-132.3139.8169.8-72.6175.8000109.8P134 V146 F148 N215 L216 F217P134-L137 HydrophobicContact CB-CD2 4.37Å; P134-L137 HydrophobicContact CB-CG 4.36Å; P134-L137 HydrophobicContact CG-CD1 3.5Å; P134-L137 VanDerWaalsContact CG-CD1 3.5Å; P134-L137 HydrophobicContact CG-CD2 3.71Å; P134-L137 HydrophobicContact CG-CG 3.52Å; L137-V146 HydrophobicContact CD1-CG2 3.13Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L137-F148 HydrophobicContact CD1-CE1 3.9Å; L137-F148 HydrophobicContact CD1-CZ 4.08Å; L137-F148 HydrophobicContact CG-CE1 4.47Å; L137-N215 PolarHBondContact N-O 2.85Å; L137-L216 HydrophobicContact CB-CD1 3.98Å; L137-F217 PolarHBondContact O-N 2.81Å
138D93.5Very high93.6Very high89 Ų8957.5 Ų57.548%0.47633%0.327SS..EExtended strand (participates in β ladder)trans-126.9113178.8-174.58.8000108.1K293D138-K293 WeakPolarHBondContact OD1-CE 3.41Å; D138-K293 IonicContact OD1-NZ 2.69Å; D138-K293 PolarHBondContact OD1-NZ 3.18Å; D138-K293 WeakPolarHBondContact OD2-CE 3.09Å; D138-K293 IonicContact OD2-NZ 3.88Å; D138-K293 PolarHBondContact OD2-NZ 3.02Å
139L94.8Very high93.7Very high41 Ų4157.6 Ų57.622%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-128.5162.7-172.1-65.7178.8000111.2V146 V190 L216 F217 I218 S219L139-V146 HydrophobicContact CD1-CB 3.81Å; L139-V146 HydrophobicContact CD1-CG2 3.98Å; L139-V190 HydrophobicContact CD1-CG1 4.48Å; L139-V190 HydrophobicContact CD1-CG2 4.34Å; L139-L216 HydrophobicContact CD1-CD1 4.08Å; L139-L216 HydrophobicContact CG-CD1 4.48Å; L139-F217 PolarHBondContact N-O 3.21Å; L139-I218 WeakPolarHBondContact O-CA 3.23Å; L139-S219 PolarHBondContact O-N 2.86Å
140I94.8Very high93.8Very high65 Ų6552.5 Ų52.533%0.33330%0.301SS..EExtended strand (participates in β ladder)trans-100.3142171.8-64.2170.3000107.9F142 S143 S219 T294I140-F142 PolarHBondContact O-N 2.9Å; I140-S143 WeakPolarHBondContact O-CB 3.27Å; I140-S143 PolarHBondContact O-N 3.49Å; I140-S143 PolarHBondContact O-OG 2.88Å; I140-S219 CarbonylContact C-O 3.6Å; I140-S219 WeakPolarHBondContact CA-O 3.25Å; I140-T294 HydrophobicContact CG1-CG2 4.42Å; I140-T294 HydrophobicContact CG2-CG2 3.92Å
141E95.4Very high93.8Very high22 Ų2254.6 Ų54.610%0.10332%0.316CS..THydrogen-bonded Turntrans-52.4134.4176.5-160.2176.1-139.100111.2S143 R192 I218 S219 Y220E141-S143 PolarHBondContact O-N 2.78Å; E141-R192 WeakPolarHBondContact OE1-CB 3.29Å; E141-R192 WeakPolarHBondContact OE1-CG 3.33Å; E141-R192 IonicContact OE1-CZ 3.91Å; E141-R192 PolarHBondContact OE1-N 2.76Å; E141-R192 IonicContact OE1-NE 2.71Å; E141-R192 PolarHBondContact OE1-NE 3.2Å; E141-R192 IonicContact OE1-NH2 2.63Å; E141-R192 IonicContact OE2-CZ 2.68Å; E141-R192 IonicContact OE2-NE 2.86Å; E141-R192 PolarHBondContact OE2-NE 2.77Å; E141-R192 IonicContact OE2-NH2 3.06Å; E141-R192 PolarHBondContact OE2-NH2 3.12Å; E141-I218 HydrophobicContact CB-CG2 4.15Å; E141-S219 PolarHBondContact N-O 2.83Å; E141-Y220 WeakPolarHBondContact OE2-CB 3.22Å
142F90.8Very high93.8Very high132 Ų13251 Ų5158%0.57930%0.299SS*.THydrogen-bonded Turntrans61.713.5-175.6-45-63.4000116I140 G144 V190 T191I140-F142 PolarHBondContact O-N 2.9Å; F142-G144 PolarHBondContact O-N 3.24Å; F142-V190 PolarHBondContact N-O 2.99Å; F142-T191 HydrophobicContact CE1-CG2 3.98Å
143S86.4Confident93.7Very high72 Ų7253.5 Ų53.550%0.50332%0.317SS..SBendtrans-70.6-11.1177.675.30000114.1I140 E141I140-S143 WeakPolarHBondContact O-CB 3.27Å; I140-S143 PolarHBondContact O-N 3.49Å; I140-S143 PolarHBondContact O-OG 2.88Å; E141-S143 PolarHBondContact O-N 2.78Å
144G86.8Confident93.6Very high23 Ų2351.3 Ų51.324%0.23731%0.305CS..  trans143.4-145.6177.600000113F142 N189 V190F142-G144 PolarHBondContact O-N 3.24Å; G144-N189 WeakPolarHBondContact O-CA 3.48Å; G144-N189 PolarHBondContact O-N 3.06Å; G144-N189 VanDerWaalsContact O-N 3.17Å; G144-V190 PolarHBondContact O-N 2.66Å
145S92.9Very high93.4Very high68 Ų6850.6 Ų50.648%0.47630%0.301SS..  trans-107.6151-179.4-50.80000111.1I187 V188S145-I187 CarbonylContact C-O 3.55Å; S145-I187 WeakPolarHBondContact CA-O 3.15Å; S145-I187 WeakPolarHBondContact CB-O 2.9Å; S145-V188 WeakPolarHBondContact OG-CA 2.92Å
146V94.3Very high93.3Very high6 Ų649.4 Ų49.44%0.03631%0.305CS..EExtended strand (participates in β ladder)trans-116.6150.3172.969.30000110.8L137 L139 F148 T186 I187 V190 L216L137-V146 HydrophobicContact CD1-CG2 3.13Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L139-V146 HydrophobicContact CD1-CB 3.81Å; L139-V146 HydrophobicContact CD1-CG2 3.98Å; V146-F148 HydrophobicContact CG1-CE2 4.41Å; V146-F148 HydrophobicContact CG2-CE2 4.3Å; V146-F148 HydrophobicContact CG2-CZ 4.35Å; V146-T186 CarbonylContact O-C 3.57Å; V146-T186 VanDerWaalsContact O-CA 3.25Å; V146-T186 WeakPolarHBondContact O-CA 3.38Å; V146-T186 WeakPolarHBondContact O-CG2 3.37Å; V146-I187 HydrophobicContact CG1-CB 3.86Å; V146-I187 HydrophobicContact CG1-CD1 4.32Å; V146-I187 HydrophobicContact CG1-CG1 4.33Å; V146-I187 PolarHBondContact N-O 2.81Å; V146-I187 PolarHBondContact O-N 2.88Å; V146-V190 HydrophobicContact CB-CG1 4.07Å; V146-V190 HydrophobicContact CG1-CG1 3.65Å; V146-L216 HydrophobicContact CG1-CD2 3.96Å; V146-L216 HydrophobicContact CG2-CD1 4.35Å
147S95.1Very high93.4Very high41 Ų4146 Ų4629%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-133.1134.7172.6-62.80000112.3K184 L185 T186S147-K184 VanDerWaalsContact CB-CE 3.45Å; S147-K184 VanDerWaalsContact OG-CE 3.32Å; S147-K184 WeakPolarHBondContact OG-CE 3.19Å; S147-L185 CarbonylContact C-O 3.56Å; S147-L185 WeakPolarHBondContact CA-O 3.15Å; S147-T186 PolarHBondContact OG-OG1 2.96Å
148F96.7Very high93.5Very high0 Ų047.4 Ų47.40%030%0.301CS..EExtended strand (participates in β ladder)trans-110.2140.4166.1-61.5-76.5000109.6V132 L137 V146 W161 K184 L185 Y198 A214 L216V132-F148 HydrophobicContact CG1-CB 4.24Å; V132-F148 HydrophobicContact CG1-CD1 4.29Å; L137-F148 HydrophobicContact CD1-CE1 3.9Å; L137-F148 HydrophobicContact CD1-CZ 4.08Å; L137-F148 HydrophobicContact CG-CE1 4.47Å; V146-F148 HydrophobicContact CG1-CE2 4.41Å; V146-F148 HydrophobicContact CG2-CE2 4.3Å; V146-F148 HydrophobicContact CG2-CZ 4.35Å; F148-W161 HydrophobicContact CB-CH2 3.55Å; F148-W161 HydrophobicContact CB-CZ2 4.35Å; F148-W161 HydrophobicContact CB-CZ3 3.85Å; F148-K184 CarbonylContact O-C 3.59Å; F148-K184 WeakPolarHBondContact O-CA 3.46Å; F148-L185 HydrophobicContact CD2-CD2 4.31Å; F148-L185 PolarHBondContact N-O 2.8Å; F148-L185 PolarHBondContact O-N 2.87Å; F148-Y198 HydrophobicContact CE2-CD2 4.03Å; F148-Y198 HydrophobicContact CE2-CE2 4.43Å; F148-Y198 HydrophobicContact CE2-CG 4.23Å; F148-Y198 HydrophobicContact CZ-CD2 4.38Å; F148-A214 HydrophobicContact CD1-CB 3.97Å; F148-A214 HydrophobicContact CE1-CB 3.9Å; F148-L216 HydrophobicContact CE2-CD2 4.35Å; F148-L216 HydrophobicContact CZ-CB 4.04Å
149S96.4Very high93.6Very high57 Ų5744.3 Ų44.340%0.39928%0.284SS..EExtended strand (participates in β ladder)trans-115.9132.6174.3-63.40000109.3V132 S133 S183V132-S149 CarbonylContact C-O 3.6Å; V132-S149 WeakPolarHBondContact CA-O 3.41Å; S133-S149 PolarHBondContact N-O 2.83Å; S133-S149 PolarHBondContact O-N 2.01Å; S149-S183 CarbonylContact C-O 3.49Å
150C96.9Very high93.6Very high4 Ų445.3 Ų45.33%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-111.7129.7174178.60000109.5I131 V132 F159 W161 G182 S183 C200I131-C150 WeakPolarHBondContact O-CA 3.47Å; V132-C150 HydrophobicContact CG2-CB 4.12Å; C150-F159 HydrophobicContact CB-CD1 4.49Å; C150-W161 HydrophobicContact CB-CH2 3.71Å; C150-W161 HydrophobicContact CB-CZ2 3.46Å; C150-W161 VanDerWaalsContact CB-CZ2 3.46Å; C150-G182 CarbonylContact O-C 3.44Å; C150-G182 WeakPolarHBondContact O-CA 3.39Å; C150-S183 PolarHBondContact N-O 2.85Å; C150-S183 PolarHBondContact O-N 3.42Å; C150-C200 HydrophobicContact CB-CB 3.55Å; C150-C200 WeakPolarHBondContact CB-SG 3.4Å; C150-C200 WeakPolarHBondContact SG-CB 3.33Å; C150-C200 CovalentContact SG-SG 2.03Å; C150-C200 PolarHBondContact SG-SG 2.96Å
151S95.1Very high93.8Very high62 Ų6242.4 Ų42.443%0.43427%0.274SS..EExtended strand (participates in β ladder)trans-123.4143.917657.50000109.9N129 V130 I131N129-S151 VanDerWaalsContact O-O 3.12Å; V130-S151 WeakPolarHBondContact CA-O 3.41Å; I131-S151 PolarHBondContact N-O 3.22Å; I131-S151 PolarHBondContact O-N 2.57Å
152S95.9Very high93.9Very high14 Ų1442.5 Ų42.510%0.09827%0.274CS..EExtended strand (participates in β ladder)trans-150.5152.8174.1178.80000111.4S128 G181S128-S152 PolarHBondContact O-OG 2.86Å; S152-G181 PolarHBondContact N-O 2.86Å
153S94.3Very high94.1Very high56 Ų5638 Ų3839%0.39226%0.256SS..EExtended strand (participates in β ladder)trans-93.8144.5170.2-54.10000110.8V127 S128V127-S153 WeakPolarHBondContact CA-O 3.32Å; S128-S153 PolarHBondContact N-O 2.96Å; S128-S153 PolarHBondContact O-N 2.85Å
154G92.3Very high94.3Very high25 Ų2538.4 Ų38.426%0.25826%0.259SS..SBendtrans137179.8178.700000111.9
155S91.3Very high94.5Very high29 Ų2942.4 Ų42.420%0.20328%0.283CS..SBendtrans-111.9147.8-177.962.70000112.2Y124 E125 L157 N204Y124-S155 WeakPolarHBondContact CA-OG 3.33Å; E125-S155 PolarHBondContact N-OG 2.87Å; E125-S155 PolarHBondContact O-N 3.48Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.13Å; S155-N204 WeakPolarHBondContact O-CB 3.39Å; S155-N204 PolarHBondContact O-ND2 2.71Å; S155-N204 VanDerWaalsContact O-ND2 3.11Å
156S91.2Very high94.6Very high86 Ų8642.7 Ų42.760%0.60129%0.285SS*.SBendtrans53.747.5176.4-57.30000113.2
157L93.6Very high94.6Very high30 Ų3048.1 Ų48.116%0.15731%0.31CS..  trans-75.8137.5-173.4-58.2-179.3000112.2V127 S155 F159 V202 N204V127-L157 HydrophobicContact CG2-CD2 3.78Å; S155-L157 VanDerWaalsContact C-N 3.34Å; S155-L157 PolarHBondContact O-N 3.13Å; L157-F159 HydrophobicContact CB-CD2 4.46Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.01Å; L157-F159 HydrophobicContact CD1-CE2 4.43Å; L157-F159 HydrophobicContact CD1-CZ 3.98Å; L157-V202 HydrophobicContact CB-CG1 4.13Å; L157-V202 HydrophobicContact CD1-CG1 4.35Å; L157-V202 HydrophobicContact CD2-CG1 4Å; L157-V202 HydrophobicContact CG-CG1 4.4Å; L157-N204 HydrophobicContact CD2-CB 4.42Å
158S94.4Very high94.7Very high73 Ų7347 Ų4751%0.5130%0.302SS..EExtended strand (participates in β ladder)trans-114.9133.4169-630000109.5V202 S203S158-V202 WeakPolarHBondContact O-CA 3.22Å; S158-S203 PolarHBondContact N-O 3.47Å; S158-S203 PolarHBondContact O-N 2.84Å
159F95.9Very high94.5Very high25 Ų2551.5 Ų51.511%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-113137.5-175.1-65-97.2000111.1C150 L157 G182 V202C150-F159 HydrophobicContact CB-CD1 4.49Å; L157-F159 HydrophobicContact CB-CD2 4.46Å; L157-F159 HydrophobicContact CB-CE2 3.67Å; L157-F159 HydrophobicContact CB-CZ 4.01Å; L157-F159 HydrophobicContact CD1-CE2 4.43Å; L157-F159 HydrophobicContact CD1-CZ 3.98Å; F159-G182 VanDerWaalsContact CZ-N 3.33Å; F159-V202 HydrophobicContact CD1-CG1 4.33Å; F159-V202 HydrophobicContact CD1-CG2 3.51Å; F159-V202 HydrophobicContact CE1-CB 4.5Å; F159-V202 HydrophobicContact CE1-CG1 4.05Å; F159-V202 HydrophobicContact CE1-CG2 3.58Å; F159-V202 HydrophobicContact CG-CG2 4.42Å; F159-V202 HydrophobicContact CZ-CG1 4.26Å
160L96Very high94.4Very high62 Ų6252.2 Ų52.233%0.32534%0.339SS..EExtended strand (participates in β ladder)trans-135124.1178.4-179.769.3000109.3M162 E167 H201L160-M162 HydrophobicContact CD2-SD 3.96Å; L160-M162 HydrophobicContact CG-SD 4.14Å; L160-E167 VanDerWaalsContact CD1-CD 3.4Å; L160-E167 HydrophobicContact CD1-CG 3.58Å; L160-E167 VanDerWaalsContact CD1-OE1 3.32Å; L160-E167 WeakPolarHBondContact CD1-OE1 3.36Å; L160-H201 HydrophobicContact CB-CB 4.12Å; L160-H201 HydrophobicContact CD2-CB 4.5Å; L160-H201 PolarHBondContact N-O 2.82Å; L160-H201 PolarHBondContact O-N 3.27Å
161W97.8Very high94.3Very high3 Ų355 Ų551%0.01136%0.358CS..EExtended strand (participates in β ladder)trans-92.3135.3175.9-74.894.7000110.6V132 F148 C150 V168 S183 L185 C200V132-W161 HydrophobicContact CG1-CH2 3.92Å; V132-W161 HydrophobicContact CG1-CZ3 3.91Å; V132-W161 HydrophobicContact CG2-CH2 3.84Å; V132-W161 HydrophobicContact CG2-CZ3 3.8Å; F148-W161 HydrophobicContact CB-CH2 3.55Å; F148-W161 HydrophobicContact CB-CZ2 4.35Å; F148-W161 HydrophobicContact CB-CZ3 3.85Å; C150-W161 HydrophobicContact CB-CH2 3.71Å; C150-W161 HydrophobicContact CB-CZ2 3.46Å; C150-W161 VanDerWaalsContact CB-CZ2 3.46Å; W161-V168 HydrophobicContact CB-CB 3.94Å; W161-V168 HydrophobicContact CB-CG2 4.23Å; W161-V168 PolarHBondContact O-N 2.89Å; W161-S183 PolarHBondContact NE1-OG 2.89Å; W161-L185 HydrophobicContact CB-CD2 4.3Å; W161-L185 HydrophobicContact CD2-CB 3.72Å; W161-L185 HydrophobicContact CD2-CD2 3.93Å; W161-L185 HydrophobicContact CD2-CG 4.44Å; W161-L185 HydrophobicContact CE3-CB 4.25Å; W161-L185 HydrophobicContact CE3-CD2 3.9Å; W161-L185 HydrophobicContact CG-CB 4.03Å; W161-L185 HydrophobicContact CG-CD2 4.12Å; W161-L185 HydrophobicContact CH2-CB 4.41Å; W161-L185 HydrophobicContact CZ2-CB 3.92Å; W161-C200 HydrophobicContact CD2-CB 4.49Å; W161-C200 HydrophobicContact CE3-CB 4.2Å; W161-C200 HydrophobicContact CH2-CB 4.3Å; W161-C200 HydrophobicContact CZ3-CB 4.1Å
162M97.2Very high94.2Very high24 Ų2459.9 Ų59.912%0.11838%0.38CS..EExtended strand (participates in β ladder)trans-119.7131.5177.3-59.6-62.3-68.200109.1L160 S165 S166 E167 Y198 S199 H201L160-M162 HydrophobicContact CD2-SD 3.96Å; L160-M162 HydrophobicContact CG-SD 4.14Å; M162-S165 VanDerWaalsContact CE-C 3.47Å; M162-S165 WeakPolarHBondContact CE-O 3.5Å; M162-S166 CarbonylContact C-O 3.59Å; M162-S166 WeakPolarHBondContact CA-O 3.37Å; M162-E167 HydrophobicContact SD-CB 4.15Å; M162-Y198 CarbonylContact O-C 3.5Å; M162-Y198 VanDerWaalsContact O-CA 3.27Å; M162-Y198 WeakPolarHBondContact O-CA 3.47Å; M162-S199 PolarHBondContact N-O 2.66Å; M162-S199 PolarHBondContact O-N 3.42Å; M162-H201 VanDerWaalsContact CG-CD2 3.45Å; M162-H201 WeakPolarHBondContact CG-CD2 3.42Å; M162-H201 WeakPolarHBondContact CG-NE2 3.26Å
163N95.3Very high94.1Very high37 Ų3763.9 Ų63.920%0.19839%0.393CS..EExtended strand (participates in β ladder)trans-100110.4161.4179.1-3.8000107.1S165 S166 V168 Y198N163-S165 PolarHBondContact O-N 2.87Å; N163-S166 PolarHBondContact N-O 3.01Å; N163-S166 PolarHBondContact O-N 3.43Å; N163-V168 HydrophobicContact CB-CG2 3.83Å; N163-Y198 HydrophobicContact CB-CD1 4.12Å; N163-Y198 HydrophobicContact CB-CE1 3.84Å
164S91Very high94.2Very high81 Ų8161.9 Ų61.957%0.56638%0.378SS*.THydrogen-bonded Turntrans54.7-106-171.8-52.70000110.3S197S164-S197 PolarHBondContact N-O 2.75Å
165S90.7Very high94.4Very high107 Ų10765.3 Ų65.375%0.74839%0.387SS*.THydrogen-bonded Turntrans-104.1-2.8177.559.40000114.4M162 N163M162-S165 VanDerWaalsContact CE-C 3.47Å; M162-S165 WeakPolarHBondContact CE-O 3.5Å; N163-S165 PolarHBondContact O-N 2.87Å
166S94.4Very high94.7Very high74 Ų7466.4 Ų66.452%0.51739%0.39SS..EExtended strand (participates in β ladder)trans-105.3136.6-172.3-61.90000111.2M162 N163 V168M162-S166 CarbonylContact C-O 3.59Å; M162-S166 WeakPolarHBondContact CA-O 3.37Å; N163-S166 PolarHBondContact N-O 3.01Å; N163-S166 PolarHBondContact O-N 3.43Å; S166-V168 PolarHBondContact O-N 2.85Å
167E95.9Very high94.8Very high120 Ų12066.7 Ų66.756%0.56138%0.384SS*.EExtended strand (participates in β ladder)trans-64.5133.4173.3178174.8171.400110.9L160 M162 T169L160-E167 VanDerWaalsContact CD1-CD 3.4Å; L160-E167 HydrophobicContact CD1-CG 3.58Å; L160-E167 VanDerWaalsContact CD1-OE1 3.32Å; L160-E167 WeakPolarHBondContact CD1-OE1 3.36Å; M162-E167 HydrophobicContact SD-CB 4.15Å; E167-T169 HydrophobicContact CG-CG2 4.42Å
168V95.9Very high94.8Very high19 Ų1969.8 Ų69.812%0.11540%0.401CS..  trans-86.8113.6173.8-177.20000108.6W161 N163 S166 V174 I176 L185 Y198W161-V168 HydrophobicContact CB-CB 3.94Å; W161-V168 HydrophobicContact CB-CG2 4.23Å; W161-V168 PolarHBondContact O-N 2.89Å; N163-V168 HydrophobicContact CB-CG2 3.83Å; S166-V168 PolarHBondContact O-N 2.85Å; V168-V174 HydrophobicContact CG1-CG1 3.71Å; V168-I176 HydrophobicContact CG1-CD1 4.4Å; V168-I176 VanDerWaalsContact O-CD1 3.25Å; V168-I176 WeakPolarHBondContact O-CD1 3.23Å; V168-L185 HydrophobicContact CG1-CD1 3.85Å; V168-L185 HydrophobicContact CG1-CD2 4.38Å; V168-Y198 HydrophobicContact CG2-CD1 4.25Å; V168-Y198 HydrophobicContact CG2-CE1 4.1Å
169T94Very high94.2Very high93 Ų9370.5 Ų70.557%0.57140%0.402SS*.  trans-98145.5178.557.60000111.7E167E167-T169 HydrophobicContact CG-CG2 4.42Å
170A93.7Very high93.3Very high73 Ų7377.7 Ų77.760%0.60344%0.442SS*.  trans-61.7141.517400000111.6V174A170-V174 CarbonylContact C-O 3.58Å; A170-V174 VanDerWaalsContact CA-O 3.32Å; A170-V174 WeakPolarHBondContact CA-O 3.28Å
171S94.3Very high92.5Very high61 Ų6176.6 Ų76.643%0.42745%0.445SS..  trans-153.3-178.417866.30000110R173 V174S171-R173 PolarHBondContact O-N 2.94Å; S171-V174 PolarHBondContact N-O 2.92Å; S171-V174 CarbonylContact O-C 3.59Å; S171-V174 PolarHBondContact O-N 3.17Å; S171-V174 VanDerWaalsContact O-N 3.17Å; S171-V174 WeakPolarHBondContact OG-CB 3.43Å; S171-V174 PolarHBondContact OG-N 3.43Å
172D92.3Very high92.3Very high165 Ų16576.7 Ų76.788%0.88245%0.448SS*.SBendtrans-57-34.6177.1-64.3-17.2000112.8
173R94.6Very high92.3Very high98 Ų9875.8 Ų75.837%0.3744%0.444SS..SBendtrans-90.8-25.9176.5-64.1-167.9-58.2123.64.3113.4S171 V188 D194S171-R173 PolarHBondContact O-N 2.94Å; R173-V188 PolarHBondContact O-N 2.91Å; R173-D194 IonicContact NH1-OD1 3.41Å; R173-D194 IonicContact NH1-OD2 3.96Å; R173-D194 PolarHBondContact NH1-OD2 2.94Å; R173-D194 VanDerWaalsContact NH1-OD2 3.08Å; R173-D194 IonicContact NH2-OD1 3.71Å
174V96.6Very high92.3Very high14 Ų1478.3 Ų78.39%0.08545%0.453CS..EExtended strand (participates in β ladder)trans-111.3111.3-171.3-177.70000110.1V168 A170 S171 I176 L185 T186V168-V174 HydrophobicContact CG1-CG1 3.71Å; A170-V174 CarbonylContact C-O 3.58Å; A170-V174 VanDerWaalsContact CA-O 3.32Å; A170-V174 WeakPolarHBondContact CA-O 3.28Å; S171-V174 PolarHBondContact N-O 2.92Å; S171-V174 CarbonylContact O-C 3.59Å; S171-V174 PolarHBondContact O-N 3.17Å; S171-V174 VanDerWaalsContact O-N 3.17Å; S171-V174 WeakPolarHBondContact OG-CB 3.43Å; S171-V174 PolarHBondContact OG-N 3.43Å; V174-I176 HydrophobicContact CG1-CG1 4.48Å; V174-L185 HydrophobicContact CG1-CD1 3.56Å; V174-T186 CarbonylContact C-O 3.54Å; V174-T186 WeakPolarHBondContact CA-O 3.46Å
175Q96.5Very high92.6Very high97 Ų9774.5 Ų74.545%0.45343%0.426SS..EExtended strand (participates in β ladder)trans-108.5125.1-179-61.1-179.8-14.200110L185 T186Q175-L185 CarbonylContact O-C 3.59Å; Q175-T186 PolarHBondContact N-O 3Å; Q175-T186 PolarHBondContact O-N 2.98Å
176I96.8Very high92.9Very high52 Ų5270.1 Ų70.127%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-117.1120175.9-58173.9000107.8V168 V174 K184 L185V168-I176 HydrophobicContact CG1-CD1 4.4Å; V168-I176 VanDerWaalsContact O-CD1 3.25Å; V168-I176 WeakPolarHBondContact O-CD1 3.23Å; V174-I176 HydrophobicContact CG1-CG1 4.48Å; I176-K184 WeakPolarHBondContact CA-O 3.43Å; I176-L185 HydrophobicContact CD1-CD1 4.42Å; I176-L185 HydrophobicContact CG1-CD1 3.85Å
177I94.8Very high93Very high93 Ų9366.7 Ų66.748%0.47737%0.371SS..EExtended strand (participates in β ladder)trans-120.4113.6-179.2-57174.7000107.8S183 K184I177-S183 CarbonylContact O-C 3.55Å; I177-S183 WeakPolarHBondContact O-CA 3.46Å; I177-K184 PolarHBondContact N-O 2.93Å; I177-K184 PolarHBondContact O-N 2.82Å
178N92.1Very high92.9Very high95 Ų9562.9 Ų62.951%0.50836%0.356SS..EExtended strand (participates in β ladder)trans-91.4136.8174.8-64.5-22.1000109.6S183N178-S183 WeakPolarHBondContact OD1-CB 3.36Å; N178-S183 PolarHBondContact OD1-OG 2.69Å
179T83.6Confident92.8Very high87 Ų8766.4 Ų66.453%0.53437%0.374SS..EExtended strand (participates in β ladder)trans-125.2165.5176.357.50000109.6G181 G182T179-G181 PolarHBondContact O-N 3.06Å; T179-G182 PolarHBondContact N-O 2.86Å; T179-G182 PolarHBondContact O-N 2.71Å; T179-G182 PolarHBondContact OG1-O 3.29Å
180D76.9Confident92.8Very high176 Ų17662 Ų6294%0.94135%0.347SS*.THydrogen-bonded Turntrans-59.1111.2173.6-62.9-24000109.7
181G79.3Confident92.9Very high39 Ų3959.6 Ų59.640%0.40233%0.325SS..THydrogen-bonded Turntrans84.37.2-178.400000116.5S152 T179S152-G181 PolarHBondContact N-O 2.86Å; T179-G181 PolarHBondContact O-N 3.06Å
182G93.1Very high92.9Very high6 Ų658.1 Ų58.16%0.06231%0.31CS..EExtended strand (participates in β ladder)trans-164.1174.9179.400000116.4C150 F159 T179C150-G182 CarbonylContact O-C 3.44Å; C150-G182 WeakPolarHBondContact O-CA 3.39Å; F159-G182 VanDerWaalsContact CZ-N 3.33Å; T179-G182 PolarHBondContact N-O 2.86Å; T179-G182 PolarHBondContact O-N 2.71Å; T179-G182 PolarHBondContact OG1-O 3.29Å
183S96.4Very high93Very high4 Ų459.4 Ų59.43%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-143.4143.5174.3-177.50000110.7S149 C150 W161 I177 N178S149-S183 CarbonylContact C-O 3.49Å; C150-S183 PolarHBondContact N-O 2.85Å; C150-S183 PolarHBondContact O-N 3.42Å; W161-S183 PolarHBondContact NE1-OG 2.89Å; I177-S183 CarbonylContact O-C 3.55Å; I177-S183 WeakPolarHBondContact O-CA 3.46Å; N178-S183 WeakPolarHBondContact OD1-CB 3.36Å; N178-S183 PolarHBondContact OD1-OG 2.69Å
184K96.4Very high93Very high91 Ų9155.4 Ų55.440%0.39629%0.29SS..EExtended strand (participates in β ladder)trans-120.5120176.3-172.6179.8179.6-176.60110S147 F148 I176 I177S147-K184 VanDerWaalsContact CB-CE 3.45Å; S147-K184 VanDerWaalsContact OG-CE 3.32Å; S147-K184 WeakPolarHBondContact OG-CE 3.19Å; F148-K184 CarbonylContact O-C 3.59Å; F148-K184 WeakPolarHBondContact O-CA 3.46Å; I176-K184 WeakPolarHBondContact CA-O 3.43Å; I177-K184 PolarHBondContact N-O 2.93Å; I177-K184 PolarHBondContact O-N 2.82Å
185L97.1Very high92.9Very high0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-96.2125.8170.8169.763000108.8S147 F148 W161 V168 V174 Q175 I176 I187 Y198S147-L185 CarbonylContact C-O 3.56Å; S147-L185 WeakPolarHBondContact CA-O 3.15Å; F148-L185 HydrophobicContact CD2-CD2 4.31Å; F148-L185 PolarHBondContact N-O 2.8Å; F148-L185 PolarHBondContact O-N 2.87Å; W161-L185 HydrophobicContact CB-CD2 4.3Å; W161-L185 HydrophobicContact CD2-CB 3.72Å; W161-L185 HydrophobicContact CD2-CD2 3.93Å; W161-L185 HydrophobicContact CD2-CG 4.44Å; W161-L185 HydrophobicContact CE3-CB 4.25Å; W161-L185 HydrophobicContact CE3-CD2 3.9Å; W161-L185 HydrophobicContact CG-CB 4.03Å; W161-L185 HydrophobicContact CG-CD2 4.12Å; W161-L185 HydrophobicContact CH2-CB 4.41Å; W161-L185 HydrophobicContact CZ2-CB 3.92Å; V168-L185 HydrophobicContact CG1-CD1 3.85Å; V168-L185 HydrophobicContact CG1-CD2 4.38Å; V174-L185 HydrophobicContact CG1-CD1 3.56Å; Q175-L185 CarbonylContact O-C 3.59Å; I176-L185 HydrophobicContact CD1-CD1 4.42Å; I176-L185 HydrophobicContact CG1-CD1 3.85Å; L185-I187 HydrophobicContact CD1-CG1 4.38Å; L185-I187 HydrophobicContact CG-CG1 4.46Å; L185-Y198 HydrophobicContact CD2-CD1 3.64Å; L185-Y198 HydrophobicContact CD2-CE1 3.93Å
186T96.4Very high92.9Very high16 Ų1653.8 Ų53.810%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-124.6128.1174.4-580000110V146 S147 V174 Q175 V188V146-T186 CarbonylContact O-C 3.57Å; V146-T186 VanDerWaalsContact O-CA 3.25Å; V146-T186 WeakPolarHBondContact O-CA 3.38Å; V146-T186 WeakPolarHBondContact O-CG2 3.37Å; S147-T186 PolarHBondContact OG-OG1 2.96Å; V174-T186 CarbonylContact C-O 3.54Å; V174-T186 WeakPolarHBondContact CA-O 3.46Å; Q175-T186 PolarHBondContact N-O 3Å; Q175-T186 PolarHBondContact O-N 2.98Å; T186-V188 HydrophobicContact CG2-CG2 4.38Å
187I96.7Very high92.9Very high2 Ų252.9 Ų52.91%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-112.9115176-52.9172.4000107.2S145 V146 L185 V190 D194 Y198S145-I187 CarbonylContact C-O 3.55Å; S145-I187 WeakPolarHBondContact CA-O 3.15Å; S145-I187 WeakPolarHBondContact CB-O 2.9Å; V146-I187 HydrophobicContact CG1-CB 3.86Å; V146-I187 HydrophobicContact CG1-CD1 4.32Å; V146-I187 HydrophobicContact CG1-CG1 4.33Å; V146-I187 PolarHBondContact N-O 2.81Å; V146-I187 PolarHBondContact O-N 2.88Å; L185-I187 HydrophobicContact CD1-CG1 4.38Å; L185-I187 HydrophobicContact CG-CG1 4.46Å; I187-V190 HydrophobicContact CG2-CG1 4.34Å; I187-D194 HydrophobicContact CG2-CB 4.49Å; I187-Y198 HydrophobicContact CD1-CE1 3.96Å; I187-Y198 VanDerWaalsContact CD1-OH 3.3Å; I187-Y198 WeakPolarHBondContact CD1-OH 3.43Å
188V94.4Very high93Very high40 Ų4048.7 Ų48.724%0.24226%0.263CS..SBendtrans-88.2134.5-178.7-179.30000110S145 R173 T186S145-V188 WeakPolarHBondContact OG-CA 2.92Å; R173-V188 PolarHBondContact O-N 2.91Å; T186-V188 HydrophobicContact CG2-CG2 4.38Å
189N92.9Very high93.2Very high92 Ų9244.6 Ų44.649%0.49224%0.242SC..SBendtrans52.573.4-178.5-64-19000111.5G144G144-N189 WeakPolarHBondContact O-CA 3.48Å; G144-N189 PolarHBondContact O-N 3.06Å; G144-N189 VanDerWaalsContact O-N 3.17Å
190V94.3Very high93.9Very high0 Ų040.5 Ų40.50%022%0.217CC..  trans-58.3136.7-178.3-63.30000111.6L139 F142 G144 V146 I187 I218L139-V190 HydrophobicContact CD1-CG1 4.48Å; L139-V190 HydrophobicContact CD1-CG2 4.34Å; F142-V190 PolarHBondContact N-O 2.99Å; G144-V190 PolarHBondContact O-N 2.66Å; V146-V190 HydrophobicContact CB-CG1 4.07Å; V146-V190 HydrophobicContact CG1-CG1 3.65Å; I187-V190 HydrophobicContact CG2-CG1 4.34Å; V190-I218 HydrophobicContact CB-CD1 4.04Å
191T95.2Very high94.8Very high23 Ų2335 Ų3514%0.14119%0.185CC..  trans-119.7160.8178.366.30000109.8F142 Y193 D194 I218F142-T191 HydrophobicContact CE1-CG2 3.98Å; T191-Y193 PolarHBondContact O-N 3.04Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CB 3.34Å; T191-D194 PolarHBondContact O-N 2.82Å; T191-D194 PolarHBondContact OG1-OD2 3.32Å; T191-I218 WeakPolarHBondContact O-CD1 3.16Å
192R95.3Very high95.7Very high30 Ų3033.2 Ų33.211%0.11317%0.167CC..G310 helixtrans-56.6-18.3177.371.1-171.170.21666.1114.8E141 D194 D195 Y220 E223 D249E141-R192 WeakPolarHBondContact OE1-CB 3.29Å; E141-R192 WeakPolarHBondContact OE1-CG 3.33Å; E141-R192 IonicContact OE1-CZ 3.91Å; E141-R192 PolarHBondContact OE1-N 2.76Å; E141-R192 IonicContact OE1-NE 2.71Å; E141-R192 PolarHBondContact OE1-NE 3.2Å; E141-R192 IonicContact OE1-NH2 2.63Å; E141-R192 IonicContact OE2-CZ 2.68Å; E141-R192 IonicContact OE2-NE 2.86Å; E141-R192 PolarHBondContact OE2-NE 2.77Å; E141-R192 IonicContact OE2-NH2 3.06Å; E141-R192 PolarHBondContact OE2-NH2 3.12Å; R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.42Å; R192-Y220 HydrophobicContact CB-CD1 3.48Å; R192-Y220 VanDerWaalsContact CB-CD1 3.48Å; R192-Y220 HydrophobicContact CB-CE1 3.84Å; R192-Y220 HydrophobicContact CB-CG 4.14Å; R192-Y220 HydrophobicContact CG-CD1 4.34Å; R192-Y220 HydrophobicContact CG-CE1 4.43Å; R192-E223 IonicContact CZ-OE2 3.22Å; R192-E223 VanDerWaalsContact CZ-OE2 3.28Å; R192-E223 IonicContact NH1-OE2 3.68Å; R192-E223 PolarHBondContact NH1-OE2 3.44Å; R192-E223 IonicContact NH2-OE1 3.58Å; R192-E223 PolarHBondContact NH2-OE1 2.95Å; R192-E223 IonicContact NH2-OE2 3.96Å; R192-E223 PolarHBondContact NH2-OE2 3.14Å; R192-D249 IonicContact NH1-OD2 3.29Å; R192-D249 PolarHBondContact NH1-OD2 2.94Å
193Y93.8Very high95.8Very high192 Ų19235.5 Ų35.575%0.75318%0.182SC*.G310 helixtrans-82.3-8.1176.6-53.4-70.5000114T191 D195T191-Y193 PolarHBondContact O-N 3.04Å; Y193-D195 VanDerWaalsContact C-N 3.34Å
194D94.8Very high95.6Very high15 Ų1536 Ų368%0.0818%0.184CC..G310 helixtrans-90.1-2173.1-53.4-59.1000111.4R173 I187 T191 R192 G196 Y198 L216 I218R173-D194 IonicContact NH1-OD1 3.41Å; R173-D194 IonicContact NH1-OD2 3.96Å; R173-D194 PolarHBondContact NH1-OD2 2.94Å; R173-D194 VanDerWaalsContact NH1-OD2 3.08Å; R173-D194 IonicContact NH2-OD1 3.71Å; I187-D194 HydrophobicContact CG2-CB 4.49Å; T191-D194 PolarHBondContact N-OD2 3Å; T191-D194 WeakPolarHBondContact O-CB 3.34Å; T191-D194 PolarHBondContact O-N 2.82Å; T191-D194 PolarHBondContact OG1-OD2 3.32Å; R192-D194 VanDerWaalsContact C-N 3.31Å; D194-G196 PolarHBondContact O-N 2.79Å; D194-Y198 PolarHBondContact O-OH 3.26Å; D194-L216 HydrophobicContact CB-CD2 4.49Å; D194-L216 WeakPolarHBondContact O-CD2 3.35Å; D194-I218 HydrophobicContact CB-CD1 3.78Å
195D95.2Very high95.5Very high63 Ų6334.8 Ų34.834%0.33719%0.186SC..  trans-63.7131.5174.9-170.3-70.6000110.5R192 Y193 L216 F217 I218R192-D195 WeakPolarHBondContact O-CB 3.42Å; Y193-D195 VanDerWaalsContact C-N 3.34Å; D195-L216 WeakPolarHBondContact CA-O 3.28Å; D195-F217 WeakPolarHBondContact OD2-CA 3.34Å; D195-I218 HydrophobicContact CB-CB 4.3Å; D195-I218 HydrophobicContact CB-CG1 4.41Å; D195-I218 PolarHBondContact OD2-N 3.39Å
196G94.9Very high95.1Very high14 Ų1436.5 Ų36.514%0.14420%0.2CC..EExtended strand (participates in β ladder)trans158.3-174.9179.700000115.5D194 L216D194-G196 PolarHBondContact O-N 2.79Å; G196-L216 PolarHBondContact N-O 3.28Å; G196-L216 PolarHBondContact O-N 2.88Å
197S96.6Very high94.9Very high32 Ų3237.3 Ų37.322%0.22421%0.206CC..EExtended strand (participates in β ladder)trans-103.5112.6-178-620000110.7S164 A214 N215S164-S197 PolarHBondContact N-O 2.75Å; S197-A214 CarbonylContact C-O 3.48Å; S197-N215 WeakPolarHBondContact CB-OD1 3.46Å; S197-N215 PolarHBondContact OG-OD1 3.22Å
198Y97.4Very high94.9Very high5 Ų541.8 Ų41.82%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-93.5141.1178.8-67.8-97000111F148 M162 N163 V168 L185 I187 D194 Q213 A214 L216F148-Y198 HydrophobicContact CE2-CD2 4.03Å; F148-Y198 HydrophobicContact CE2-CE2 4.43Å; F148-Y198 HydrophobicContact CE2-CG 4.23Å; F148-Y198 HydrophobicContact CZ-CD2 4.38Å; M162-Y198 CarbonylContact O-C 3.5Å; M162-Y198 VanDerWaalsContact O-CA 3.27Å; M162-Y198 WeakPolarHBondContact O-CA 3.47Å; N163-Y198 HydrophobicContact CB-CD1 4.12Å; N163-Y198 HydrophobicContact CB-CE1 3.84Å; V168-Y198 HydrophobicContact CG2-CD1 4.25Å; V168-Y198 HydrophobicContact CG2-CE1 4.1Å; L185-Y198 HydrophobicContact CD2-CD1 3.64Å; L185-Y198 HydrophobicContact CD2-CE1 3.93Å; I187-Y198 HydrophobicContact CD1-CE1 3.96Å; I187-Y198 VanDerWaalsContact CD1-OH 3.3Å; I187-Y198 WeakPolarHBondContact CD1-OH 3.43Å; D194-Y198 PolarHBondContact O-OH 3.26Å; Y198-Q213 CarbonylContact O-C 3.59Å; Y198-Q213 WeakPolarHBondContact O-CA 3.27Å; Y198-A214 PolarHBondContact N-O 3.27Å; Y198-A214 PolarHBondContact O-N 3.09Å; Y198-L216 HydrophobicContact CD2-CB 4.19Å; Y198-L216 HydrophobicContact CE2-CB 3.92Å; Y198-L216 HydrophobicContact CE2-CD2 4.05Å
199S97.4Very high95Very high10 Ų1040.8 Ų40.87%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-139.6155.6172.160.10000110.7M162M162-S199 PolarHBondContact N-O 2.66Å; M162-S199 PolarHBondContact O-N 3.42Å
200C97.2Very high95.2Very high0 Ų040.4 Ų40.40%024%0.236CC..EExtended strand (participates in β ladder)trans-113.5120.7-179.8177.20000108.9V132 C150 W161 S211V132-C200 HydrophobicContact CG2-CB 3.44Å; V132-C200 VanDerWaalsContact CG2-CB 3.44Å; C150-C200 HydrophobicContact CB-CB 3.55Å; C150-C200 WeakPolarHBondContact CB-SG 3.4Å; C150-C200 WeakPolarHBondContact SG-CB 3.33Å; C150-C200 CovalentContact SG-SG 2.03Å; C150-C200 PolarHBondContact SG-SG 2.96Å; W161-C200 HydrophobicContact CD2-CB 4.49Å; W161-C200 HydrophobicContact CE3-CB 4.2Å; W161-C200 HydrophobicContact CH2-CB 4.3Å; W161-C200 HydrophobicContact CZ3-CB 4.1Å; C200-S211 PolarHBondContact N-OG 2.82Å; C200-S211 PolarHBondContact O-N 3.05Å
201H96.9Very high95.3Very high61 Ų6141 Ų4128%0.28224%0.24SC..EExtended strand (participates in β ladder)trans-100123.4176.4-71.5-140.7000107.5L160 M162L160-H201 HydrophobicContact CB-CB 4.12Å; L160-H201 HydrophobicContact CD2-CB 4.5Å; L160-H201 PolarHBondContact N-O 2.82Å; L160-H201 PolarHBondContact O-N 3.27Å; M162-H201 VanDerWaalsContact CG-CD2 3.45Å; M162-H201 WeakPolarHBondContact CG-CD2 3.42Å; M162-H201 WeakPolarHBondContact CG-NE2 3.26Å
202V97Very high95.2Very high2 Ų242.8 Ų42.81%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-119.4134.4-177.5-174.10000108.5V127 V130 L157 S158 F159 S208 G209V127-V202 HydrophobicContact CG1-CB 3.91Å; V127-V202 HydrophobicContact CG1-CG1 3.85Å; V127-V202 HydrophobicContact CG2-CG1 4.37Å; V130-V202 HydrophobicContact CG1-CB 4.34Å; V130-V202 HydrophobicContact CG1-CG2 3.56Å; V130-V202 HydrophobicContact CG2-CB 4.14Å; V130-V202 HydrophobicContact CG2-CG2 4.21Å; L157-V202 HydrophobicContact CB-CG1 4.13Å; L157-V202 HydrophobicContact CD1-CG1 4.35Å; L157-V202 HydrophobicContact CD2-CG1 4Å; L157-V202 HydrophobicContact CG-CG1 4.4Å; S158-V202 WeakPolarHBondContact O-CA 3.22Å; F159-V202 HydrophobicContact CD1-CG1 4.33Å; F159-V202 HydrophobicContact CD1-CG2 3.51Å; F159-V202 HydrophobicContact CE1-CB 4.5Å; F159-V202 HydrophobicContact CE1-CG1 4.05Å; F159-V202 HydrophobicContact CE1-CG2 3.58Å; F159-V202 HydrophobicContact CG-CG2 4.42Å; F159-V202 HydrophobicContact CZ-CG1 4.26Å; V202-S208 CarbonylContact O-C 3.59Å; V202-S208 VanDerWaalsContact O-CA 3.29Å; V202-S208 WeakPolarHBondContact O-CA 3.18Å; V202-G209 PolarHBondContact N-O 2.88Å; V202-G209 PolarHBondContact O-N 3.02Å; V202-G209 VanDerWaalsContact O-O 3.13Å
203S95.5Very high95.1Very high53 Ų5347 Ų4737%0.37127%0.27SS..EExtended strand (participates in β ladder)trans-140.6152.5179.158.80000111.5S158 S207S158-S203 PolarHBondContact N-O 3.47Å; S158-S203 PolarHBondContact O-N 2.84Å; S203-S207 WeakPolarHBondContact CA-O 3.34Å
204N93.2Very high95.3Very high14 Ų1437.9 Ų37.98%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-133.5174.1161.170.84.7000108.4E125 V127 S155 L157 A206 S207E125-N204 PolarHBondContact O-ND2 3.44Å; V127-N204 HydrophobicContact CG2-CB 4.3Å; S155-N204 WeakPolarHBondContact O-CB 3.39Å; S155-N204 PolarHBondContact O-ND2 2.71Å; S155-N204 VanDerWaalsContact O-ND2 3.11Å; L157-N204 HydrophobicContact CD2-CB 4.42Å; N204-A206 PolarHBondContact O-N 2.83Å; N204-A206 PolarHBondContact OD1-N 3.45Å; N204-S207 PolarHBondContact N-O 2.87Å; N204-S207 PolarHBondContact O-N 2.84Å; N204-S207 PolarHBondContact OD1-N 2.86Å; N204-S207 PolarHBondContact OD1-O 2.8Å; N204-S207 PolarHBondContact OD1-OG 3.1Å
205P92.5Very high95.3Very high67 Ų6739.2 Ų39.244%0.43524%0.241SC..THydrogen-bonded Turntrans-62.6-13.7-174.5-25.236.2000115.2N30 Y124N30-P205 HydrophobicContact CB-CB 4.02Å; N30-P205 WeakPolarHBondContact ND2-CB 3.04Å; Y124-P205 HydrophobicContact CD2-CB 4.18Å; Y124-P205 HydrophobicContact CD2-CG 4.45Å; Y124-P205 HydrophobicContact CE1-CG 4.11Å; Y124-P205 HydrophobicContact CE2-CB 3.65Å; Y124-P205 HydrophobicContact CE2-CG 3.83Å
206A89.3Confident95.4Very high36 Ų3636.2 Ų36.230%0.29823%0.225SC..THydrogen-bonded Turntrans-104.3-22.8-179.900000114.3Y124 N204Y124-A206 HydrophobicContact CD2-CB 4.14Å; N204-A206 PolarHBondContact O-N 2.83Å; N204-A206 PolarHBondContact OD1-N 3.45Å
207S93.4Very high95.4Very high32 Ų3240 Ų4022%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-161.8164.6-169.463.10000113.3P126 V127 S203 N204P126-S207 WeakPolarHBondContact CA-OG 3.41Å; V127-S207 PolarHBondContact N-OG 3.15Å; S203-S207 WeakPolarHBondContact CA-O 3.34Å; N204-S207 PolarHBondContact N-O 2.87Å; N204-S207 PolarHBondContact O-N 2.84Å; N204-S207 PolarHBondContact OD1-N 2.86Å; N204-S207 PolarHBondContact OD1-O 2.8Å; N204-S207 PolarHBondContact OD1-OG 3.1Å
208S96.3Very high95.4Very high97 Ų9738.6 Ų38.668%0.67823%0.228SC*.EExtended strand (participates in β ladder)trans-140.7150.7176.861.10000111.6V202V202-S208 CarbonylContact O-C 3.59Å; V202-S208 VanDerWaalsContact O-CA 3.29Å; V202-S208 WeakPolarHBondContact O-CA 3.18Å
209G96.1Very high95.4Very high18 Ų1838.5 Ų38.519%0.18623%0.228CC..EExtended strand (participates in β ladder)trans-140.6157.5174.300000111.7V202V202-G209 PolarHBondContact N-O 2.88Å; V202-G209 PolarHBondContact O-N 3.02Å; V202-G209 VanDerWaalsContact O-O 3.13Å
210V96.9Very high95.4Very high85 Ų8539.8 Ų39.852%0.51523%0.231SC..EExtended strand (participates in β ladder)trans-128.8137.4179.2-178.90000108.6
211S96.8Very high95.3Very high12 Ų1240.1 Ų40.18%0.08424%0.235CC..PPolyproline II helixtrans-71.7167.817774.50000112.8V132 C200V132-S211 WeakPolarHBondContact CG2-OG 3.19Å; C200-S211 PolarHBondContact N-OG 2.82Å; C200-S211 PolarHBondContact O-N 3.05Å
212N91.9Very high95.4Very high60 Ų6037.5 Ų37.532%0.32122%0.223SC..PPolyproline II helixtrans-59.7158.4156.261.5-57.4000111.2Q135Q135-N212 PolarHBondContact NE2-ND2 3.1Å
213Q94.8Very high95.3Very high120 Ų12041.3 Ų41.356%0.56124%0.241SC*.PPolyproline II helixtrans-75136.4174.5-67174.9300110.7Q135 Y198Q135-Q213 WeakPolarHBondContact CG-O 3.39Å; Y198-Q213 CarbonylContact O-C 3.59Å; Y198-Q213 WeakPolarHBondContact O-CA 3.27Å
214A96.3Very high95.3Very high0 Ų044.8 Ų44.80%025%0.254CS..EExtended strand (participates in β ladder)trans-108.1120.2168.400000109.8V132 P134 Q135 F148 S197 Y198V132-A214 HydrophobicContact CB-CB 4.39Å; V132-A214 HydrophobicContact CG1-CB 3.53Å; P134-A214 WeakPolarHBondContact O-CB 3.5Å; Q135-A214 CarbonylContact O-C 3.56Å; Q135-A214 WeakPolarHBondContact O-CA 3.4Å; F148-A214 HydrophobicContact CD1-CB 3.97Å; F148-A214 HydrophobicContact CE1-CB 3.9Å; S197-A214 CarbonylContact C-O 3.48Å; Y198-A214 PolarHBondContact N-O 3.27Å; Y198-A214 PolarHBondContact O-N 3.09Å
215N96.6Very high95.6Very high42 Ų4244.8 Ų44.823%0.22526%0.255CS..EExtended strand (participates in β ladder)trans-96.4125.9-174.3-64.4-29.4000110.9Q135 I136 L137 S197 F217Q135-N215 PolarHBondContact O-N 2.87Å; I136-N215 WeakPolarHBondContact CA-O 3.3Å; L137-N215 PolarHBondContact N-O 2.85Å; S197-N215 WeakPolarHBondContact CB-OD1 3.46Å; S197-N215 PolarHBondContact OG-OD1 3.22Å; N215-F217 HydrophobicContact CB-CD2 4.43Å; N215-F217 HydrophobicContact CB-CE2 3.71Å; N215-F217 HydrophobicContact CB-CZ 3.84Å
216L95.9Very high95.8Very high1 Ų147.1 Ų47.11%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-103.3113.3170.8-177.953.3000108.9L137 L139 V146 F148 D194 D195 G196 Y198 I218L137-L216 HydrophobicContact CB-CD1 3.98Å; L139-L216 HydrophobicContact CD1-CD1 4.08Å; L139-L216 HydrophobicContact CG-CD1 4.48Å; V146-L216 HydrophobicContact CG1-CD2 3.96Å; V146-L216 HydrophobicContact CG2-CD1 4.35Å; F148-L216 HydrophobicContact CE2-CD2 4.35Å; F148-L216 HydrophobicContact CZ-CB 4.04Å; D194-L216 HydrophobicContact CB-CD2 4.49Å; D194-L216 WeakPolarHBondContact O-CD2 3.35Å; D195-L216 WeakPolarHBondContact CA-O 3.28Å; G196-L216 PolarHBondContact N-O 3.28Å; G196-L216 PolarHBondContact O-N 2.88Å; Y198-L216 HydrophobicContact CD2-CB 4.19Å; Y198-L216 HydrophobicContact CE2-CB 3.92Å; Y198-L216 HydrophobicContact CE2-CD2 4.05Å; L216-I218 HydrophobicContact CD1-CG1 4.35Å; L216-I218 HydrophobicContact CD2-CD1 4.11Å; L216-I218 HydrophobicContact CG-CD1 4.13Å; L216-I218 HydrophobicContact CG-CG1 4.02Å
217F95.8Very high96.2Very high94 Ų9446.9 Ų46.941%0.41225%0.254SS..EExtended strand (participates in β ladder)trans-100.9127.9173.7-61.3-71.1000110I136 L137 L139 D195 N215I136-F217 HydrophobicContact CG2-CD2 4Å; I136-F217 HydrophobicContact CG2-CE2 3.88Å; L137-F217 PolarHBondContact O-N 2.81Å; L139-F217 PolarHBondContact N-O 3.21Å; D195-F217 WeakPolarHBondContact OD2-CA 3.34Å; N215-F217 HydrophobicContact CB-CD2 4.43Å; N215-F217 HydrophobicContact CB-CE2 3.71Å; N215-F217 HydrophobicContact CB-CZ 3.84Å
218I96.6Very high96.4Very high1 Ų148.5 Ų48.51%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-120.3116.8-179.6-58.2178.8000109.9L139 E141 V190 T191 D194 D195 L216 N251L139-I218 WeakPolarHBondContact O-CA 3.23Å; E141-I218 HydrophobicContact CB-CG2 4.15Å; V190-I218 HydrophobicContact CB-CD1 4.04Å; T191-I218 WeakPolarHBondContact O-CD1 3.16Å; D194-I218 HydrophobicContact CB-CD1 3.78Å; D195-I218 HydrophobicContact CB-CB 4.3Å; D195-I218 HydrophobicContact CB-CG1 4.41Å; D195-I218 PolarHBondContact OD2-N 3.39Å; L216-I218 HydrophobicContact CD1-CG1 4.35Å; L216-I218 HydrophobicContact CD2-CD1 4.11Å; L216-I218 HydrophobicContact CG-CD1 4.13Å; L216-I218 HydrophobicContact CG-CG1 4.02Å; I218-N251 PolarHBondContact O-ND2 3.24Å
219S96.6Very high96.5Very high3 Ų344.9 Ų44.92%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-95.2132.9175.4-540000110.2L139 I140 E141 N251 K293L139-S219 PolarHBondContact O-N 2.86Å; I140-S219 CarbonylContact C-O 3.6Å; I140-S219 WeakPolarHBondContact CA-O 3.25Å; E141-S219 PolarHBondContact N-O 2.83Å; S219-N251 CarbonylContact C-O 3.56Å; S219-N251 VanDerWaalsContact CA-O 3.26Å; S219-N251 WeakPolarHBondContact CA-O 3.27Å; S219-N251 WeakPolarHBondContact CB-O 3.02Å; S219-K293 VanDerWaalsContact OG-CD 3.24Å; S219-K293 WeakPolarHBondContact OG-CD 3.43Å; S219-K293 WeakPolarHBondContact OG-CE 3.31Å; S219-K293 PolarHBondContact OG-NZ 3.18Å
220Y97Very high96.5Very high37 Ų3748 Ų4815%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-131.6146.4-178.561-93000110.5E141 R192 D249 N251 N291E141-Y220 WeakPolarHBondContact OE2-CB 3.22Å; R192-Y220 HydrophobicContact CB-CD1 3.48Å; R192-Y220 VanDerWaalsContact CB-CD1 3.48Å; R192-Y220 HydrophobicContact CB-CE1 3.84Å; R192-Y220 HydrophobicContact CB-CG 4.14Å; R192-Y220 HydrophobicContact CG-CD1 4.34Å; R192-Y220 HydrophobicContact CG-CE1 4.43Å; Y220-D249 VanDerWaalsContact CE2-OD1 3.26Å; Y220-D249 WeakPolarHBondContact CE2-OD1 2.98Å; Y220-D249 PolarHBondContact OH-OD1 2.66Å; Y220-N251 HydrophobicContact CD1-CB 3.64Å; Y220-N251 HydrophobicContact CE1-CB 3.23Å; Y220-N251 HydrophobicContact CE2-CB 4.36Å; Y220-N251 HydrophobicContact CG-CB 4.35Å; Y220-N251 PolarHBondContact N-O 2.84Å; Y220-N251 PolarHBondContact O-N 2.94Å; Y220-N291 PolarHBondContact O-ND2 3.25Å
221G96.5Very high96.5Very high7 Ų746.6 Ų46.67%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-71.9171.9-17800000113.2E223 T294G221-E223 PolarHBondContact O-N 2.83Å; G221-T294 WeakPolarHBondContact CA-OG1 3.43Å
222P97.7Very high96.4Very high7 Ų751.5 Ų51.55%0.04528%0.276CS..EExtended strand (participates in β ladder)trans-68.5125.5179.927.9-30.8000111.1V225 A248 D249 A254 A289 L296 Q298P222-V225 HydrophobicContact CB-CG2 4.47Å; P222-A248 HydrophobicContact CB-CB 3.97Å; P222-D249 CarbonylContact C-O 3.53Å; P222-D249 VanDerWaalsContact CA-O 3.3Å; P222-D249 WeakPolarHBondContact CA-O 3.31Å; P222-A254 HydrophobicContact CB-CB 4.17Å; P222-A289 HydrophobicContact CB-CB 3.63Å; P222-A289 HydrophobicContact CG-CB 4.1Å; P222-A289 WeakPolarHBondContact CG-O 3.35Å; P222-L296 WeakPolarHBondContact CD-O 3.16Å; P222-Q298 HydrophobicContact CG-CB 4.49Å; P222-Q298 PolarHBondContact O-OE1 3.31Å; P222-Q298 VanDerWaalsContact O-OE1 3.11Å
223E96.1Very high96.5Very high82 Ų8253.6 Ų53.638%0.38328%0.283SS..EExtended strand (participates in β ladder)trans-121.7168.4168.9-74.2-179.7166.400110.5R192 G221 V225 D249R192-E223 IonicContact CZ-OE2 3.22Å; R192-E223 VanDerWaalsContact CZ-OE2 3.28Å; R192-E223 IonicContact NH1-OE2 3.68Å; R192-E223 PolarHBondContact NH1-OE2 3.44Å; R192-E223 IonicContact NH2-OE1 3.58Å; R192-E223 PolarHBondContact NH2-OE1 2.95Å; R192-E223 IonicContact NH2-OE2 3.96Å; R192-E223 PolarHBondContact NH2-OE2 3.14Å; G221-E223 PolarHBondContact O-N 2.83Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.46Å; E223-D249 PolarHBondContact N-O 3.48Å; E223-D249 PolarHBondContact O-N 2.91Å
224L96.1Very high96.4Very high125 Ų12555.9 Ų55.965%0.65429%0.294SS*.EExtended strand (participates in β ladder)trans51.148176.1-59.6176.1000112.8E226L224-E226 PolarHBondContact O-N 2.92Å; L224-E226 VanDerWaalsContact O-N 3.09Å
225V98.1Very high96.3Very high15 Ų1559.2 Ų59.29%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-71.6106.9-179.4-169.90000110.2P222 E223 S247 A248 A289 Q298P222-V225 HydrophobicContact CB-CG2 4.47Å; E223-V225 VanDerWaalsContact C-N 3.3Å; E223-V225 PolarHBondContact O-N 3.46Å; V225-S247 CarbonylContact C-O 3.41Å; V225-S247 VanDerWaalsContact CA-O 3.27Å; V225-S247 WeakPolarHBondContact CA-O 3.38Å; V225-A248 HydrophobicContact CG2-CB 3.93Å; V225-A289 HydrophobicContact CG1-CB 4.15Å; V225-A289 HydrophobicContact CG2-CB 3.87Å; V225-Q298 HydrophobicContact CB-CG 4.42Å; V225-Q298 HydrophobicContact CG2-CB 3.61Å; V225-Q298 HydrophobicContact CG2-CG 3.7Å
226E97.6Very high96.3Very high115 Ų11557.4 Ų57.454%0.53730%0.302SS..EExtended strand (participates in β ladder)trans-107.9136.7-176.8-71-174.2174.400111.2L224 C246 S247L224-E226 PolarHBondContact O-N 2.92Å; L224-E226 VanDerWaalsContact O-N 3.09Å; E226-C246 VanDerWaalsContact O-CA 3.31Å; E226-C246 WeakPolarHBondContact O-CA 3.49Å; E226-S247 PolarHBondContact N-O 2.92Å; E226-S247 PolarHBondContact O-N 2.81Å
227L98.1Very high96.1Very high31 Ų3161 Ų6116%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-116.3121.1174.3173.860.5000109.1L244 W258 Y285L227-L244 HydrophobicContact CD1-CB 4.03Å; L227-L244 HydrophobicContact CD1-CD2 4.23Å; L227-L244 HydrophobicContact CD2-CD2 4.49Å; L227-W258 HydrophobicContact CD1-CH2 3.52Å; L227-W258 HydrophobicContact CD1-CZ3 3.47Å; L227-W258 VanDerWaalsContact CD1-CZ3 3.47Å; L227-Y285 VanDerWaalsContact CD2-O 3.29Å; L227-Y285 WeakPolarHBondContact CD2-O 3.34Å
228T97.6Very high96Very high67 Ų6759 Ų5941%0.41131%0.309SS..EExtended strand (participates in β ladder)trans-118148.9178.2580000110.7L244 S245T228-L244 CarbonylContact O-C 3.47Å; T228-L244 WeakPolarHBondContact O-CA 3.42Å; T228-S245 PolarHBondContact N-O 2.72Å; T228-S245 PolarHBondContact O-N 2.99Å; T228-S245 PolarHBondContact OG1-O 3.43Å
229V97.8Very high95.7Very high21 Ų2160.6 Ų60.613%0.12733%0.327CS..EExtended strand (participates in β ladder)trans-123.4131.7-178.5-171.50000109.6Y236 I242 L244 S303 I305V229-Y236 WeakPolarHBondContact CG1-OH 3.12Å; V229-I242 HydrophobicContact CG1-CG2 3.5Å; V229-I242 VanDerWaalsContact CG1-CG2 3.5Å; V229-L244 HydrophobicContact CG2-CD2 4.19Å; V229-L244 HydrophobicContact CG2-CG 4.28Å; V229-S303 WeakPolarHBondContact CG2-OG 3.26Å; V229-I305 HydrophobicContact CB-CD1 4.46Å; V229-I305 HydrophobicContact CG1-CD1 3.73Å; V229-I305 HydrophobicContact CG2-CD1 3.94Å
230V96.4Very high95.7Very high83 Ų8362 Ų6250%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-130.5127.5-176.7-176.60000110.2T243V230-T243 PolarHBondContact N-O 2.92Å; V230-T243 PolarHBondContact O-N 3.27Å
231P96.4Very high95.7Very high56 Ų5664.9 Ų64.936%0.36435%0.354SS..SBendcis-71.8147-6.430.8-33.9000111.5Q233 Y236P231-Q233 PolarHBondContact O-N 2.98Å; P231-Y236 HydrophobicContact CG-CE1 4.28Å; P231-Y236 VanDerWaalsContact O-CE1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.29Å; P231-Y236 PolarHBondContact O-OH 3.09Å
232P94.8Very high95.7Very high114 Ų11464.6 Ų64.674%0.7435%0.351SS*.  trans-71.2115.4177.628.5-33.5000110.6
233Q93.8Very high95.8Very high104 Ų10465.9 Ų65.949%0.48636%0.359SS..  trans-141.1152.2175.9-61.2-171-16.400111P231 N235 Y236P231-Q233 PolarHBondContact O-N 2.98Å; Q233-N235 PolarHBondContact OE1-O 2.89Å; Q233-Y236 HydrophobicContact CB-CD1 4.19Å; Q233-Y236 HydrophobicContact CB-CE1 3.8Å; Q233-Y236 HydrophobicContact CB-CE2 4.29Å; Q233-Y236 HydrophobicContact CG-CD1 4.46Å; Q233-Y236 HydrophobicContact CG-CE1 4.06Å; Q233-Y236 PolarHBondContact N-OH 3.07Å
234E93.3Very high95.9Very high169 Ų16962 Ų6279%0.7934%0.341SS*.SBendtrans-71.9-40.3172.3-170.3-174.917500111.4
235N94.1Very high95.9Very high69 Ų6957.3 Ų57.337%0.36932%0.318SS..SBendtrans-138.8134.6178.8-63.2-79.1000109.6Q233 S306 V308Q233-N235 PolarHBondContact OE1-O 2.89Å; N235-S306 VanDerWaalsContact OD1-CB 3.26Å; N235-S306 WeakPolarHBondContact OD1-CB 3.31Å; N235-S306 PolarHBondContact OD1-OG 2.85Å; N235-V308 HydrophobicContact CB-CG1 4.24Å; N235-V308 HydrophobicContact CB-CG2 4.02Å
236Y95.4Very high95.9Very high5 Ų557 Ų572%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-101.9140.3175.8-59.8-91.3000109.8V229 P231 Q233 I242 I305 S306 V307 V308V229-Y236 WeakPolarHBondContact CG1-OH 3.12Å; P231-Y236 HydrophobicContact CG-CE1 4.28Å; P231-Y236 VanDerWaalsContact O-CE1 3.23Å; P231-Y236 WeakPolarHBondContact O-CE1 3.29Å; P231-Y236 PolarHBondContact O-OH 3.09Å; Q233-Y236 HydrophobicContact CB-CD1 4.19Å; Q233-Y236 HydrophobicContact CB-CE1 3.8Å; Q233-Y236 HydrophobicContact CB-CE2 4.29Å; Q233-Y236 HydrophobicContact CG-CD1 4.46Å; Q233-Y236 HydrophobicContact CG-CE1 4.06Å; Q233-Y236 PolarHBondContact N-OH 3.07Å; Y236-I242 HydrophobicContact CD1-CD1 3.55Å; Y236-I242 HydrophobicContact CD1-CG1 3.64Å; Y236-I242 HydrophobicContact CD2-CD1 3.56Å; Y236-I242 HydrophobicContact CE1-CD1 3.93Å; Y236-I242 HydrophobicContact CE1-CG1 3.86Å; Y236-I242 HydrophobicContact CE1-CG2 4.24Å; Y236-I242 HydrophobicContact CE2-CD1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.35Å; Y236-I242 HydrophobicContact CG-CG1 3.99Å; Y236-I305 HydrophobicContact CD2-CG2 4.03Å; Y236-I305 HydrophobicContact CE2-CD1 4.22Å; Y236-I305 HydrophobicContact CE2-CG2 4.22Å; Y236-S306 PolarHBondContact N-O 2.8Å; Y236-V307 CarbonylContact O-C 3.5Å; Y236-V307 WeakPolarHBondContact O-CA 3.05Å; Y236-V308 PolarHBondContact O-N 2.01Å
237K92.6Very high96Very high76 Ų7654.2 Ų54.233%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-71.2140.9171.6-172.1-173-173.4152.50109.9G239 S240 E310 S340K237-G239 PolarHBondContact O-N 3.01Å; K237-S240 PolarHBondContact N-OG 2.95Å; K237-S240 VanDerWaalsContact O-CB 3.25Å; K237-S240 WeakPolarHBondContact O-CB 3.18Å; K237-S240 PolarHBondContact O-N 2.81Å; K237-S240 PolarHBondContact O-OG 2.94Å; K237-E310 HydrophobicContact CD-CG 4.31Å; K237-E310 VanDerWaalsContact CD-OE1 3.22Å; K237-E310 WeakPolarHBondContact CD-OE1 3.13Å; K237-E310 VanDerWaalsContact CE-OE1 3.26Å; K237-E310 WeakPolarHBondContact CE-OE1 3.42Å; K237-E310 WeakPolarHBondContact CE-OE2 3.44Å; K237-E310 HydrophobicContact CG-CG 4.27Å; K237-E310 IonicContact NZ-OE1 2.68Å; K237-E310 PolarHBondContact NZ-OE1 2.85Å; K237-E310 IonicContact NZ-OE2 2.71Å; K237-E310 PolarHBondContact NZ-OE2 2.71Å; K237-S340 WeakPolarHBondContact CE-OG 3.36Å
238E92.9Very high96Very high51 Ų5154.1 Ų54.124%0.23831%0.314CS..THydrogen-bonded Turntrans-50.1130.2167.4-162.2-167.3162.100110.8V277 K278 V307 V308E238-V277 CarbonylContact C-O 3.51Å; E238-V277 WeakPolarHBondContact CA-O 3.45Å; E238-V277 VanDerWaalsContact CG-O 3.22Å; E238-V277 WeakPolarHBondContact CG-O 3.24Å; E238-K278 HydrophobicContact CG-CD 4Å; E238-K278 WeakPolarHBondContact OE1-CD 3.43Å; E238-K278 IonicContact OE1-NZ 2.73Å; E238-K278 PolarHBondContact OE1-NZ 2.74Å; E238-V307 HydrophobicContact CB-CG1 4.32Å; E238-V308 PolarHBondContact N-O 2.82Å
239G92.1Very high96Very high36 Ų3653.7 Ų53.737%0.37131%0.309SS..THydrogen-bonded Turntrans92.3-2.6-175.200000115.5K237 N276 V277K237-G239 PolarHBondContact O-N 3.01Å; G239-N276 VanDerWaalsContact CA-OD1 3.3Å; G239-N276 WeakPolarHBondContact CA-OD1 3.34Å; G239-V277 PolarHBondContact N-O 2.85Å
240S95.4Very high95.9Very high32 Ų3253.4 Ų53.422%0.22431%0.308CS..  trans-68.3160.2172.6-55.10000112K237 N276 V277K237-S240 PolarHBondContact N-OG 2.95Å; K237-S240 VanDerWaalsContact O-CB 3.25Å; K237-S240 WeakPolarHBondContact O-CB 3.18Å; K237-S240 PolarHBondContact O-N 2.81Å; K237-S240 PolarHBondContact O-OG 2.94Å; S240-N276 PolarHBondContact O-N 3.02Å; S240-V277 WeakPolarHBondContact O-CG1 3.27Å; S240-V277 WeakPolarHBondContact O-CG2 3.38Å; S240-V277 PolarHBondContact O-N 3.35Å
241D97.3Very high95.9Very high97 Ų9752.5 Ų52.552%0.51930%0.3SS..  trans-107.4128.3171.4-64.4-18.1000109.4L274 I275 N276D241-L274 CarbonylContact C-O 3.4Å; D241-L274 WeakPolarHBondContact CA-O 3.33Å; D241-I275 VanDerWaalsContact OD1-CA 3.27Å; D241-I275 WeakPolarHBondContact OD1-CA 3.29Å; D241-I275 VanDerWaalsContact OD1-CG2 3.31Å; D241-I275 WeakPolarHBondContact OD1-CG2 3.31Å; D241-N276 PolarHBondContact OD1-N 3.19Å
242I97.1Very high95.9Very high1 Ų152 Ų521%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-125.6133.8-176-49176.8000108.5V229 Y236 L244 L274 V277 I305V229-I242 HydrophobicContact CG1-CG2 3.5Å; V229-I242 VanDerWaalsContact CG1-CG2 3.5Å; Y236-I242 HydrophobicContact CD1-CD1 3.55Å; Y236-I242 HydrophobicContact CD1-CG1 3.64Å; Y236-I242 HydrophobicContact CD2-CD1 3.56Å; Y236-I242 HydrophobicContact CE1-CD1 3.93Å; Y236-I242 HydrophobicContact CE1-CG1 3.86Å; Y236-I242 HydrophobicContact CE1-CG2 4.24Å; Y236-I242 HydrophobicContact CE2-CD1 3.97Å; Y236-I242 HydrophobicContact CG-CD1 3.35Å; Y236-I242 HydrophobicContact CG-CG1 3.99Å; I242-L244 HydrophobicContact CG2-CD1 4.37Å; I242-L274 HydrophobicContact CB-CB 4.39Å; I242-L274 PolarHBondContact N-O 3.27Å; I242-L274 PolarHBondContact O-N 3.37Å; I242-V277 HydrophobicContact CD1-CG1 3.86Å; I242-V277 HydrophobicContact CD1-CG2 4.15Å; I242-V277 HydrophobicContact CG1-CG1 4.02Å; I242-I305 HydrophobicContact CD1-CG2 3.75Å
243T98.1Very high96.1Very high35 Ų3552 Ų5222%0.21530%0.297CS..EExtended strand (participates in β ladder)trans-115.8121.1170.9-590000109.8V230 Q271 R273V230-T243 PolarHBondContact N-O 2.92Å; V230-T243 PolarHBondContact O-N 3.27Å; T243-Q271 HydrophobicContact CG2-CB 4.45Å; T243-R273 HydrophobicContact CG2-CG 4.11Å
244L98.1Very high96.3Very high0 Ų047.8 Ų47.80%028%0.28CS..EExtended strand (participates in β ladder)trans-94.4131.8167.9-60.495.7000108.6L227 T228 V229 I242 W258 Q271 L272 L274 Y285 I305L227-L244 HydrophobicContact CD1-CB 4.03Å; L227-L244 HydrophobicContact CD1-CD2 4.23Å; L227-L244 HydrophobicContact CD2-CD2 4.49Å; T228-L244 CarbonylContact O-C 3.47Å; T228-L244 WeakPolarHBondContact O-CA 3.42Å; V229-L244 HydrophobicContact CG2-CD2 4.19Å; V229-L244 HydrophobicContact CG2-CG 4.28Å; I242-L244 HydrophobicContact CG2-CD1 4.37Å; L244-W258 HydrophobicContact CB-CH2 3.5Å; L244-W258 HydrophobicContact CB-CZ2 4.44Å; L244-W258 HydrophobicContact CB-CZ3 3.68Å; L244-W258 HydrophobicContact CD2-CZ3 4.18Å; L244-Q271 CarbonylContact O-C 3.55Å; L244-Q271 VanDerWaalsContact O-CA 3.27Å; L244-Q271 WeakPolarHBondContact O-CA 3.37Å; L244-L272 HydrophobicContact CB-CB 4.33Å; L244-L272 HydrophobicContact CD1-CB 4.46Å; L244-L272 HydrophobicContact CD1-CD2 4.28Å; L244-L272 HydrophobicContact CD1-CG 4.4Å; L244-L272 PolarHBondContact N-O 2.91Å; L244-L272 PolarHBondContact O-N 2.81Å; L244-L274 HydrophobicContact CD1-CD1 3.71Å; L244-L274 HydrophobicContact CD1-CG 3.99Å; L244-Y285 HydrophobicContact CD1-CD1 4.39Å; L244-Y285 HydrophobicContact CD2-CD1 3.93Å; L244-Y285 HydrophobicContact CD2-CG 3.78Å; L244-I305 HydrophobicContact CD2-CD1 4.4Å; L244-I305 HydrophobicContact CD2-CG1 4.38Å
245S98.1Very high96.5Very high26 Ų2645.6 Ų45.618%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-122.6131.2177.7-600000110.4T228 P270 Q271T228-S245 PolarHBondContact N-O 2.72Å; T228-S245 PolarHBondContact O-N 2.99Å; T228-S245 PolarHBondContact OG1-O 3.43Å; S245-P270 CarbonylContact C-O 3.6Å; S245-P270 WeakPolarHBondContact CA-O 3.36Å; S245-Q271 PolarHBondContact OG-NE2 3.3Å
246C97.9Very high96.7Very high8 Ų843.5 Ų43.55%0.05426%0.257CS..EExtended strand (participates in β ladder)trans-112.7138.9179.5-164.80000110.7E226 F256 W258 P270 C287E226-C246 VanDerWaalsContact O-CA 3.31Å; E226-C246 WeakPolarHBondContact O-CA 3.49Å; C246-F256 HydrophobicContact CB-CD1 3.77Å; C246-F256 HydrophobicContact CB-CE1 3.99Å; C246-F256 HydrophobicContact CB-CG 4.37Å; C246-F256 WeakPolarHBondContact SG-CD1 3.45Å; C246-F256 WeakPolarHBondContact SG-CE1 3.39Å; C246-W258 HydrophobicContact CB-CH2 4.05Å; C246-W258 HydrophobicContact CB-CZ2 4.03Å; C246-P270 PolarHBondContact N-O 2.8Å; C246-C287 HydrophobicContact CB-CB 3.59Å; C246-C287 WeakPolarHBondContact CB-SG 3.32Å; C246-C287 WeakPolarHBondContact SG-CB 3.18Å; C246-C287 CovalentContact SG-SG 2.01Å; C246-C287 PolarHBondContact SG-SG 2.96Å
247S97.9Very high96.8Very high57 Ų5747.2 Ų47.240%0.39928%0.275SS..EExtended strand (participates in β ladder)trans-138.2155.3175.8500000110.9V225 E226V225-S247 CarbonylContact C-O 3.41Å; V225-S247 VanDerWaalsContact CA-O 3.27Å; V225-S247 WeakPolarHBondContact CA-O 3.38Å; E226-S247 PolarHBondContact N-O 2.92Å; E226-S247 PolarHBondContact O-N 2.81Å
248A98.1Very high97.1Very high29 Ų2943.6 Ų43.624%0.2426%0.259CS..EExtended strand (participates in β ladder)trans-151.9147176.300000109.6P222 V225 F256 A289P222-A248 HydrophobicContact CB-CB 3.97Å; V225-A248 HydrophobicContact CG2-CB 3.93Å; A248-F256 HydrophobicContact CB-CE1 4.13Å; A248-F256 HydrophobicContact CB-CZ 4.12Å; A248-A289 HydrophobicContact CB-CB 3.68Å
249D97.4Very high97.3Very high59 Ų5942.1 Ų42.132%0.31625%0.252SS..EExtended strand (participates in β ladder)trans-80.6112.1167.5-17922.1000108.9R192 Y220 P222 E223R192-D249 IonicContact NH1-OD2 3.29Å; R192-D249 PolarHBondContact NH1-OD2 2.94Å; Y220-D249 VanDerWaalsContact CE2-OD1 3.26Å; Y220-D249 WeakPolarHBondContact CE2-OD1 2.98Å; Y220-D249 PolarHBondContact OH-OD1 2.66Å; P222-D249 CarbonylContact C-O 3.53Å; P222-D249 VanDerWaalsContact CA-O 3.3Å; P222-D249 WeakPolarHBondContact CA-O 3.31Å; E223-D249 PolarHBondContact N-O 3.48Å; E223-D249 PolarHBondContact O-N 2.91Å
250S97.6Very high97.5Very high15 Ų1542.4 Ų42.411%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-156.8138.3-174.4-178.70000110.9P252 N291S250-P252 CarbonylContact C-O 3.53Å; S250-P252 VanDerWaalsContact C-O 3.24Å; S250-P252 CarbonylContact O-C 3.57Å; S250-P252 PolarHBondContact OG-O 3.36Å; S250-N291 PolarHBondContact OG-ND2 3.24Å
251N96.5Very high97.5Very high64 Ų6445.3 Ų45.334%0.34226%0.257SS..EExtended strand (participates in β ladder)trans-129.7118.5170-174.822.7000110.9I218 S219 Y220 N291I218-N251 PolarHBondContact O-ND2 3.24Å; S219-N251 CarbonylContact C-O 3.56Å; S219-N251 VanDerWaalsContact CA-O 3.26Å; S219-N251 WeakPolarHBondContact CA-O 3.27Å; S219-N251 WeakPolarHBondContact CB-O 3.02Å; Y220-N251 HydrophobicContact CD1-CB 3.64Å; Y220-N251 HydrophobicContact CE1-CB 3.23Å; Y220-N251 HydrophobicContact CE2-CB 4.36Å; Y220-N251 HydrophobicContact CG-CB 4.35Å; Y220-N251 PolarHBondContact N-O 2.84Å; Y220-N251 PolarHBondContact O-N 2.94Å; N251-N291 PolarHBondContact O-ND2 2.83Å
252P96.4Very high97.3Very high46 Ų4648.3 Ų48.330%0.29927%0.269SS..SBendcis-61.9168.3-5.826.9-35.6000113.1S250 A254 N291 K293S250-P252 CarbonylContact C-O 3.53Å; S250-P252 VanDerWaalsContact C-O 3.24Å; S250-P252 CarbonylContact O-C 3.57Å; S250-P252 PolarHBondContact OG-O 3.36Å; P252-A254 PolarHBondContact O-N 3.11Å; P252-N291 PolarHBondContact O-ND2 3.16Å; P252-N291 VanDerWaalsContact O-ND2 3.08Å; P252-K293 HydrophobicContact CG-CB 3.95Å; P252-K293 HydrophobicContact CG-CD 4.43Å
253P97.1Very high97.2Very high114 Ų11455 Ų5574%0.7430%0.299SS*.PPolyproline II helixtrans-52137.1178.4-27.635.3000112.3
254A98Very high97.1Very high15 Ų1557 Ų5712%0.12431%0.308CS..PPolyproline II helixtrans-74.9149.4-178.700000112.4P222 P252 F256 A289 F290P222-A254 HydrophobicContact CB-CB 4.17Å; P252-A254 PolarHBondContact O-N 3.11Å; A254-F256 HydrophobicContact CB-CZ 4.48Å; A254-F256 WeakPolarHBondContact O-CE2 3.47Å; A254-A289 HydrophobicContact CB-CB 3.93Å; A254-F290 CarbonylContact C-O 3.43Å; A254-F290 WeakPolarHBondContact CA-O 3.47Å
255E98Very high97Very high123 Ų12358.5 Ų58.558%0.57532%0.317SS*.EExtended strand (participates in β ladder)trans-89.8145.7167.6-64.3179.9-175.900110.1A289 F290E255-A289 CarbonylContact O-C 3.58Å; E255-A289 WeakPolarHBondContact O-CA 3.46Å; E255-F290 PolarHBondContact N-O 2.83Å; E255-F290 PolarHBondContact O-N 2.84Å
256F98.2Very high96.8Very high24 Ų2463 Ų6311%0.10535%0.349CS..EExtended strand (participates in β ladder)trans-116.4137.8-174.5-63.5-84.3000112.5C246 A248 A254 S268 G269 P270 R288 A289C246-F256 HydrophobicContact CB-CD1 3.77Å; C246-F256 HydrophobicContact CB-CE1 3.99Å; C246-F256 HydrophobicContact CB-CG 4.37Å; C246-F256 WeakPolarHBondContact SG-CD1 3.45Å; C246-F256 WeakPolarHBondContact SG-CE1 3.39Å; A248-F256 HydrophobicContact CB-CE1 4.13Å; A248-F256 HydrophobicContact CB-CZ 4.12Å; A254-F256 HydrophobicContact CB-CZ 4.48Å; A254-F256 WeakPolarHBondContact O-CE2 3.47Å; F256-S268 CarbonylContact O-C 3.51Å; F256-S268 VanDerWaalsContact O-CA 3.27Å; F256-S268 WeakPolarHBondContact O-CA 3.46Å; F256-S268 WeakPolarHBondContact O-CB 3.4Å; F256-G269 WeakPolarHBondContact CB-O 3.33Å; F256-G269 PolarHBondContact O-N 2.82Å; F256-P270 HydrophobicContact CD2-CB 4.01Å; F256-P270 HydrophobicContact CE2-CB 4.22Å; F256-R288 VanDerWaalsContact CA-O 3.31Å; F256-R288 WeakPolarHBondContact CA-O 3.45Å; F256-A289 HydrophobicContact CD1-CB 3.97Å; F256-A289 HydrophobicContact CE1-CB 3.65Å; F256-A289 HydrophobicContact CZ-CB 4.43Å
257Q98Very high96.7Very high84 Ų8465.9 Ų65.939%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-127.3140172.8-69178.9-26.700110.3L264 C287 R288Q257-L264 HydrophobicContact CB-CD1 3.92Å; Q257-C287 CarbonylContact O-C 3.54Å; Q257-C287 WeakPolarHBondContact O-CA 3.49Å; Q257-R288 PolarHBondContact N-O 2.97Å; Q257-R288 PolarHBondContact O-N 2.84Å
258W98.4Very high96.5Very high0 Ų067.5 Ų67.50%038%0.376CS..EExtended strand (participates in β ladder)trans-99.7138.5-175.1-69.190.8000112.9L227 L244 C246 T265 N267 G269 L272 C287L227-W258 HydrophobicContact CD1-CH2 3.52Å; L227-W258 HydrophobicContact CD1-CZ3 3.47Å; L227-W258 VanDerWaalsContact CD1-CZ3 3.47Å; L244-W258 HydrophobicContact CB-CH2 3.5Å; L244-W258 HydrophobicContact CB-CZ2 4.44Å; L244-W258 HydrophobicContact CB-CZ3 3.68Å; L244-W258 HydrophobicContact CD2-CZ3 4.18Å; C246-W258 HydrophobicContact CB-CH2 4.05Å; C246-W258 HydrophobicContact CB-CZ2 4.03Å; W258-T265 PolarHBondContact O-N 3.03Å; W258-T265 PolarHBondContact O-OG1 2.8Å; W258-N267 HydrophobicContact CB-CB 4.19Å; W258-N267 HydrophobicContact CG-CB 4.35Å; W258-N267 PolarHBondContact N-O 2.73Å; W258-G269 PolarHBondContact NE1-O 3.04Å; W258-L272 HydrophobicContact CB-CD2 4.42Å; W258-L272 HydrophobicContact CD2-CB 3.65Å; W258-L272 HydrophobicContact CD2-CD2 4.03Å; W258-L272 HydrophobicContact CD2-CG 4.42Å; W258-L272 VanDerWaalsContact CE2-CB 3.5Å; W258-L272 HydrophobicContact CE3-CB 4.03Å; W258-L272 HydrophobicContact CE3-CD2 3.98Å; W258-L272 HydrophobicContact CG-CB 4.14Å; W258-L272 HydrophobicContact CG-CD2 4.22Å; W258-L272 HydrophobicContact CH2-CB 4.12Å; W258-L272 HydrophobicContact CZ2-CB 3.76Å; W258-L272 HydrophobicContact CZ3-CB 4.24Å; W258-C287 HydrophobicContact CD2-CB 4.25Å; W258-C287 HydrophobicContact CE3-CB 3.98Å; W258-C287 HydrophobicContact CH2-CB 4.23Å; W258-C287 HydrophobicContact CZ2-CB 4.46Å; W258-C287 HydrophobicContact CZ3-CB 3.98Å
259F98Very high96.5Very high20 Ų2067.2 Ų67.29%0.08838%0.375CS..EExtended strand (participates in β ladder)trans-114.9130.1174.2-68.6-101.6000109.3H263 L264 Y285 S286 R288F259-H263 CarbonylContact C-O 3.58Å; F259-H263 VanDerWaalsContact CA-O 3.26Å; F259-H263 WeakPolarHBondContact CA-O 3.27Å; F259-L264 HydrophobicContact CD1-CB 4.21Å; F259-L264 HydrophobicContact CD2-CD1 4.49Å; F259-L264 HydrophobicContact CE1-CB 3.73Å; F259-L264 HydrophobicContact CE1-CD1 4.15Å; F259-L264 HydrophobicContact CE2-CD1 3.85Å; F259-L264 HydrophobicContact CZ-CB 4.1Å; F259-L264 HydrophobicContact CZ-CD1 3.65Å; F259-L264 HydrophobicContact CZ-CG 4.39Å; F259-Y285 WeakPolarHBondContact O-CA 3.46Å; F259-S286 WeakPolarHBondContact CB-OG 3.18Å; F259-S286 PolarHBondContact N-O 3.4Å; F259-S286 PolarHBondContact O-N 3.05Å; F259-R288 HydrophobicContact CD2-CB 4.25Å; F259-R288 HydrophobicContact CE2-CB 3.58Å; F259-R288 VanDerWaalsContact CZ-NH2 3.32Å
260I96.8Very high96.5Very high42 Ų4268 Ų6822%0.21538%0.384CS..EExtended strand (participates in β ladder)trans-122.3120.9175-55.5178.7000107E262 H263 T265 L272 Y285I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.46Å; I260-H263 PolarHBondContact N-O 2.91Å; I260-H263 WeakPolarHBondContact O-CB 3.38Å; I260-H263 PolarHBondContact O-N 2.88Å; I260-T265 HydrophobicContact CB-CG2 4.1Å; I260-T265 HydrophobicContact CD1-CG2 3.81Å; I260-T265 HydrophobicContact CG1-CG2 3.7Å; I260-L272 HydrophobicContact CD1-CD2 4.46Å; I260-Y285 HydrophobicContact CB-CE1 4.48Å; I260-Y285 HydrophobicContact CD1-CD1 4.29Å; I260-Y285 HydrophobicContact CD1-CE1 3.69Å; I260-Y285 HydrophobicContact CG1-CD1 3.82Å; I260-Y285 HydrophobicContact CG1-CE1 3.67Å; I260-Y285 HydrophobicContact CG2-CE1 4.1Å; I260-Y285 HydrophobicContact CG2-CE2 4.49Å
261N94.9Very high96.5Very high92 Ų9271.6 Ų71.649%0.49240%0.399SS..THydrogen-bonded Turntrans5049.3-174.4-60.8-38000111.9H263 G283 N284N261-H263 PolarHBondContact O-N 3.1Å; N261-G283 WeakPolarHBondContact OD1-CA 3.37Å; N261-N284 PolarHBondContact N-O 3.5Å; N261-N284 PolarHBondContact OD1-N 2.85Å
262E92.8Very high96.5Very high161 Ų16168.9 Ų68.975%0.75238%0.384SS*.THydrogen-bonded Turntrans65.5-1.1-178.3-52.2-177.5164.800115.6I260I260-E262 VanDerWaalsContact C-N 3.27Å; I260-E262 PolarHBondContact O-N 3.46Å
263H95.6Very high96.5Very high140 Ų14074.7 Ų74.765%0.64840%0.4SS*.EExtended strand (participates in β ladder)trans-93.6129.6177.5-167.367.9000111.6F259 I260 N261 T265F259-H263 CarbonylContact C-O 3.58Å; F259-H263 VanDerWaalsContact CA-O 3.26Å; F259-H263 WeakPolarHBondContact CA-O 3.27Å; I260-H263 PolarHBondContact N-O 2.91Å; I260-H263 WeakPolarHBondContact O-CB 3.38Å; I260-H263 PolarHBondContact O-N 2.88Å; N261-H263 PolarHBondContact O-N 3.1Å; H263-T265 PolarHBondContact O-N 3.31Å
264L95.5Very high96.5Very high77 Ų7770.3 Ų70.340%0.40337%0.371SS..EExtended strand (participates in β ladder)trans-63.9132.8173.1176.964.2000110Q257 F259Q257-L264 HydrophobicContact CB-CD1 3.92Å; F259-L264 HydrophobicContact CD1-CB 4.21Å; F259-L264 HydrophobicContact CD2-CD1 4.49Å; F259-L264 HydrophobicContact CE1-CB 3.73Å; F259-L264 HydrophobicContact CE1-CD1 4.15Å; F259-L264 HydrophobicContact CE2-CD1 3.85Å; F259-L264 HydrophobicContact CZ-CB 4.1Å; F259-L264 HydrophobicContact CZ-CD1 3.65Å; F259-L264 HydrophobicContact CZ-CG 4.39Å
265T95.3Very high96.5Very high32 Ų3275.4 Ų75.420%0.19639%0.394CS..EExtended strand (participates in β ladder)trans-106.8167.8177.372.10000111.6W258 I260 H263 N267W258-T265 PolarHBondContact O-N 3.03Å; W258-T265 PolarHBondContact O-OG1 2.8Å; I260-T265 HydrophobicContact CB-CG2 4.1Å; I260-T265 HydrophobicContact CD1-CG2 3.81Å; I260-T265 HydrophobicContact CG1-CG2 3.7Å; H263-T265 PolarHBondContact O-N 3.31Å; T265-N267 PolarHBondContact O-N 2.67Å; T265-N267 PolarHBondContact OG1-N 3.41Å; T265-N267 PolarHBondContact OG1-ND2 2.8Å
266S94.6Very high96.3Very high122 Ų12273.6 Ų73.685%0.85339%0.388SS*.EExtended strand (participates in β ladder)trans-74.8-4.5170.5570000113.4
267N94.6Very high96.2Very high68 Ų6872.4 Ų72.436%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-77130.2179.4-57-65.3000110W258 T265 L272W258-N267 HydrophobicContact CB-CB 4.19Å; W258-N267 HydrophobicContact CG-CB 4.35Å; W258-N267 PolarHBondContact N-O 2.73Å; T265-N267 PolarHBondContact O-N 2.67Å; T265-N267 PolarHBondContact OG1-N 3.41Å; T265-N267 PolarHBondContact OG1-ND2 2.8Å; N267-L272 HydrophobicContact CB-CD1 3.84Å
268S95.4Very high96Very high91 Ų9172.1 Ų72.164%0.63638%0.381SS*.EExtended strand (participates in β ladder)trans-131.8166.4179.362.40000111.2F256F256-S268 CarbonylContact O-C 3.51Å; F256-S268 VanDerWaalsContact O-CA 3.27Å; F256-S268 WeakPolarHBondContact O-CA 3.46Å; F256-S268 WeakPolarHBondContact O-CB 3.4Å
269G96.8Very high95.7Very high23 Ų2375.5 Ų75.524%0.23740%0.401CS..SBendtrans92.9170.2-179.600000113.5F256 W258 Q271F256-G269 WeakPolarHBondContact CB-O 3.33Å; F256-G269 PolarHBondContact O-N 2.82Å; W258-G269 PolarHBondContact NE1-O 3.04Å; G269-Q271 PolarHBondContact O-N 3.49Å; G269-Q271 VanDerWaalsContact O-N 3.14Å
270P97.1Very high95.5Very high76 Ų7680.7 Ų80.749%0.49443%0.43SS..SBendtrans-72.1-9.2-167.329.7-36.8000113.7S245 C246 F256S245-P270 CarbonylContact C-O 3.6Å; S245-P270 WeakPolarHBondContact CA-O 3.36Å; C246-P270 PolarHBondContact N-O 2.8Å; F256-P270 HydrophobicContact CD2-CB 4.01Å; F256-P270 HydrophobicContact CE2-CB 4.22Å
271Q97.6Very high95.4Very high89 Ų8981.9 Ų81.942%0.41644%0.435SS..EExtended strand (participates in β ladder)trans-131.8137.4-179.7-64.8-167.3-28.600112.1T243 L244 S245 G269T243-Q271 HydrophobicContact CG2-CB 4.45Å; L244-Q271 CarbonylContact O-C 3.55Å; L244-Q271 VanDerWaalsContact O-CA 3.27Å; L244-Q271 WeakPolarHBondContact O-CA 3.37Å; S245-Q271 PolarHBondContact OG-NE2 3.3Å; G269-Q271 PolarHBondContact O-N 3.49Å; G269-Q271 VanDerWaalsContact O-N 3.14Å
272L97.8Very high95.5Very high8 Ų879.5 Ų79.54%0.04242%0.423CS..EExtended strand (participates in β ladder)trans-114.2116.9166.6177.565000108.8L244 W258 I260 N267 L274 Y285L244-L272 HydrophobicContact CB-CB 4.33Å; L244-L272 HydrophobicContact CD1-CB 4.46Å; L244-L272 HydrophobicContact CD1-CD2 4.28Å; L244-L272 HydrophobicContact CD1-CG 4.4Å; L244-L272 PolarHBondContact N-O 2.91Å; L244-L272 PolarHBondContact O-N 2.81Å; W258-L272 HydrophobicContact CB-CD2 4.42Å; W258-L272 HydrophobicContact CD2-CB 3.65Å; W258-L272 HydrophobicContact CD2-CD2 4.03Å; W258-L272 HydrophobicContact CD2-CG 4.42Å; W258-L272 VanDerWaalsContact CE2-CB 3.5Å; W258-L272 HydrophobicContact CE3-CB 4.03Å; W258-L272 HydrophobicContact CE3-CD2 3.98Å; W258-L272 HydrophobicContact CG-CB 4.14Å; W258-L272 HydrophobicContact CG-CD2 4.22Å; W258-L272 HydrophobicContact CH2-CB 4.12Å; W258-L272 HydrophobicContact CZ2-CB 3.76Å; W258-L272 HydrophobicContact CZ3-CB 4.24Å; I260-L272 HydrophobicContact CD1-CD2 4.46Å; N267-L272 HydrophobicContact CB-CD1 3.84Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CG-CD2 4.01Å; L272-L274 HydrophobicContact CG-CG 4.44Å; L272-Y285 HydrophobicContact CD2-CD1 3.94Å; L272-Y285 HydrophobicContact CD2-CE1 4.03Å
273R97Very high95.6Very high168 Ų16872 Ų7263%0.63439%0.389SS*.EExtended strand (participates in β ladder)trans-101.7117.5177.6-63.9-174.5-177.8-174.20.9109.8T243T243-R273 HydrophobicContact CG2-CG 4.11Å
274L96.7Very high95.8Very high22 Ų2268.1 Ų68.112%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-102.6108173.5-52.1176.6000107.8D241 I242 L244 L272 V277 Y285D241-L274 CarbonylContact C-O 3.4Å; D241-L274 WeakPolarHBondContact CA-O 3.33Å; I242-L274 HydrophobicContact CB-CB 4.39Å; I242-L274 PolarHBondContact N-O 3.27Å; I242-L274 PolarHBondContact O-N 3.37Å; L244-L274 HydrophobicContact CD1-CD1 3.71Å; L244-L274 HydrophobicContact CD1-CG 3.99Å; L272-L274 HydrophobicContact CD1-CD2 4.33Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CG-CD2 4.01Å; L272-L274 HydrophobicContact CG-CG 4.44Å; L274-V277 HydrophobicContact CB-CG1 3.57Å; L274-Y285 HydrophobicContact CD1-CE1 3.8Å; L274-Y285 HydrophobicContact CD2-CE1 4.49Å
275I96.6Very high95.9Very high122 Ų12264.5 Ų64.563%0.62635%0.354SS*.  trans-101.3139.8-178.1-59.4174.6000108.8D241 V277D241-I275 VanDerWaalsContact OD1-CA 3.27Å; D241-I275 WeakPolarHBondContact OD1-CA 3.29Å; D241-I275 VanDerWaalsContact OD1-CG2 3.31Å; D241-I275 WeakPolarHBondContact OD1-CG2 3.31Å; I275-V277 PolarHBondContact O-N 3.21Å
276N94.9Very high96Very high84 Ų8463.4 Ų63.445%0.44935%0.348SS..SBendtrans50.257179.6-174.92000111.7G239 S240 D241 K278G239-N276 VanDerWaalsContact CA-OD1 3.3Å; G239-N276 WeakPolarHBondContact CA-OD1 3.34Å; S240-N276 PolarHBondContact O-N 3.02Å; D241-N276 PolarHBondContact OD1-N 3.19Å; N276-K278 PolarHBondContact OD1-NZ 3.2Å
277V95.9Very high96.2Very high0 Ų057.6 Ų57.60%031%0.307CS..  trans-60.3144.4-170.5-64.10000113.1E238 G239 S240 I242 L274 I275 V307E238-V277 CarbonylContact C-O 3.51Å; E238-V277 WeakPolarHBondContact CA-O 3.45Å; E238-V277 VanDerWaalsContact CG-O 3.22Å; E238-V277 WeakPolarHBondContact CG-O 3.24Å; G239-V277 PolarHBondContact N-O 2.85Å; S240-V277 WeakPolarHBondContact O-CG1 3.27Å; S240-V277 WeakPolarHBondContact O-CG2 3.38Å; S240-V277 PolarHBondContact O-N 3.35Å; I242-V277 HydrophobicContact CD1-CG1 3.86Å; I242-V277 HydrophobicContact CD1-CG2 4.15Å; I242-V277 HydrophobicContact CG1-CG1 4.02Å; L274-V277 HydrophobicContact CB-CG1 3.57Å; I275-V277 PolarHBondContact O-N 3.21Å; V277-V307 HydrophobicContact CB-CG1 4.44Å; V277-V307 HydrophobicContact CB-CG2 4.1Å; V277-V307 HydrophobicContact CG2-CG1 3.81Å; V277-V307 HydrophobicContact CG2-CG2 3.85Å
278K93.8Very high96.3Very high78 Ų7857.9 Ų57.934%0.33930%0.303SS..  trans-111.6158.7-180-63.2-54.9-179.3-1670110.6E238 N276 N280 H281E238-K278 HydrophobicContact CG-CD 4Å; E238-K278 WeakPolarHBondContact OE1-CD 3.43Å; E238-K278 IonicContact OE1-NZ 2.73Å; E238-K278 PolarHBondContact OE1-NZ 2.74Å; N276-K278 PolarHBondContact OD1-NZ 3.2Å; K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 PolarHBondContact O-N 2.89Å; K278-N280 VanDerWaalsContact O-N 3.15Å; K278-H281 PolarHBondContact N-ND1 3.08Å; K278-H281 VanDerWaalsContact N-ND1 3.1Å; K278-H281 VanDerWaalsContact O-CB 3.29Å; K278-H281 WeakPolarHBondContact O-CB 3.3Å; K278-H281 PolarHBondContact O-N 2.9Å
279V92.1Very high96.5Very high71 Ų7153.6 Ų53.643%0.4327%0.273SS..G310 helixtrans-57-33-178.8-179.80000111.6H281 T282 V309V279-H281 PolarHBondContact O-N 2.82Å; V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 2.95Å; V279-T282 VanDerWaalsContact O-N 3.09Å; V279-T282 PolarHBondContact O-OG1 3.28Å; V279-V309 HydrophobicContact CG2-CG2 3.63Å
280N93Very high96.5Very high129 Ų12954.9 Ų54.969%0.6927%0.272SS*.G310 helixtrans-71.8-8.8175.870.1-15.6000114.6K278K278-N280 WeakPolarHBondContact CB-OD1 3.26Å; K278-N280 PolarHBondContact O-N 2.89Å; K278-N280 VanDerWaalsContact O-N 3.15Å
281H95.4Very high96.6Very high67 Ų6751.3 Ų51.331%0.3125%0.249SC..G310 helixtrans-81.7-2.5168.5-58.6156.8000112.2K278 V279 G283 Y285K278-H281 PolarHBondContact N-ND1 3.08Å; K278-H281 VanDerWaalsContact N-ND1 3.1Å; K278-H281 VanDerWaalsContact O-CB 3.29Å; K278-H281 WeakPolarHBondContact O-CB 3.3Å; K278-H281 PolarHBondContact O-N 2.9Å; V279-H281 PolarHBondContact O-N 2.82Å; H281-G283 PolarHBondContact O-N 2.72Å; H281-Y285 WeakPolarHBondContact O-CE2 3.49Å; H281-Y285 PolarHBondContact O-OH 2.94Å
282T96.3Very high96.5Very high41 Ų4151.9 Ų51.925%0.25226%0.255SS..  trans-62.7131.7171.9-61.20000110.2V279 F304 I305 V307V279-T282 WeakPolarHBondContact O-CB 3.49Å; V279-T282 PolarHBondContact O-N 2.95Å; V279-T282 VanDerWaalsContact O-N 3.09Å; V279-T282 PolarHBondContact O-OG1 3.28Å; T282-F304 HydrophobicContact CG2-CE1 4.49Å; T282-F304 HydrophobicContact CG2-CE2 4.25Å; T282-F304 HydrophobicContact CG2-CZ 3.75Å; T282-I305 VanDerWaalsContact CA-O 3.24Å; T282-I305 WeakPolarHBondContact CA-O 3.32Å; T282-I305 WeakPolarHBondContact CG2-O 3.29Å; T282-V307 PolarHBondContact OG1-N 2.78Å; T282-V307 PolarHBondContact OG1-O 2.8Å
283G96.7Very high96.4Very high4 Ų455.4 Ų55.44%0.04127%0.27CS..EExtended strand (participates in β ladder)trans163.2-177.7-178.600000114.4N261 H281 Y285 F304 I305N261-G283 WeakPolarHBondContact OD1-CA 3.37Å; H281-G283 PolarHBondContact O-N 2.72Å; G283-Y285 WeakPolarHBondContact O-CD2 3.21Å; G283-F304 WeakPolarHBondContact O-CA 3.34Å; G283-I305 PolarHBondContact N-O 2.79Å; G283-I305 PolarHBondContact O-N 3.05Å
284N97.8Very high96.3Very high58 Ų5848.1 Ų48.131%0.3124%0.244SC..EExtended strand (participates in β ladder)trans-89.3128.5175.4-74.7-36.2000110.4N261 L302 F304N261-N284 PolarHBondContact N-O 3.5Å; N261-N284 PolarHBondContact OD1-N 2.85Å; N284-L302 HydrophobicContact CB-CB 4.48Å; N284-L302 HydrophobicContact CB-CD1 4.47Å; N284-L302 HydrophobicContact CB-CD2 4.1Å; N284-F304 WeakPolarHBondContact OD1-CD2 3.45Å
285Y98.1Very high96.2Very high2 Ų252.8 Ų52.81%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-112.7137.4177-68.6-106.5000109.4L227 L244 F259 I260 L272 L274 H281 G283 L302 S303 I305L227-Y285 VanDerWaalsContact CD2-O 3.29Å; L227-Y285 WeakPolarHBondContact CD2-O 3.34Å; L244-Y285 HydrophobicContact CD1-CD1 4.39Å; L244-Y285 HydrophobicContact CD2-CD1 3.93Å; L244-Y285 HydrophobicContact CD2-CG 3.78Å; F259-Y285 WeakPolarHBondContact O-CA 3.46Å; I260-Y285 HydrophobicContact CB-CE1 4.48Å; I260-Y285 HydrophobicContact CD1-CD1 4.29Å; I260-Y285 HydrophobicContact CD1-CE1 3.69Å; I260-Y285 HydrophobicContact CG1-CD1 3.82Å; I260-Y285 HydrophobicContact CG1-CE1 3.67Å; I260-Y285 HydrophobicContact CG2-CE1 4.1Å; I260-Y285 HydrophobicContact CG2-CE2 4.49Å; L272-Y285 HydrophobicContact CD2-CD1 3.94Å; L272-Y285 HydrophobicContact CD2-CE1 4.03Å; L274-Y285 HydrophobicContact CD1-CE1 3.8Å; L274-Y285 HydrophobicContact CD2-CE1 4.49Å; H281-Y285 WeakPolarHBondContact O-CE2 3.49Å; H281-Y285 PolarHBondContact O-OH 2.94Å; G283-Y285 WeakPolarHBondContact O-CD2 3.21Å; Y285-L302 WeakPolarHBondContact O-CA 3.26Å; Y285-S303 PolarHBondContact N-O 3.01Å; Y285-S303 PolarHBondContact O-N 2.88Å; Y285-I305 HydrophobicContact CD2-CB 3.91Å; Y285-I305 HydrophobicContact CD2-CG1 3.43Å; Y285-I305 VanDerWaalsContact CD2-CG1 3.43Å; Y285-I305 HydrophobicContact CE2-CB 3.69Å; Y285-I305 HydrophobicContact CE2-CG1 3.65Å; Y285-I305 HydrophobicContact CG-CG1 4.17Å
286S98.2Very high96.2Very high9 Ų951.5 Ų51.56%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-142.1162.4166.653.70000110.5F259 S300F259-S286 WeakPolarHBondContact CB-OG 3.18Å; F259-S286 PolarHBondContact N-O 3.4Å; F259-S286 PolarHBondContact O-N 3.05Å; S286-S300 WeakPolarHBondContact CA-OG 3.46Å; S286-S300 WeakPolarHBondContact CB-OG 3.41Å
287C98.1Very high96.3Very high0 Ų054.6 Ų54.60%027%0.266CS..EExtended strand (participates in β ladder)trans-123.6143173.4520000109.7C246 Q257 W258 T299 S300C246-C287 HydrophobicContact CB-CB 3.59Å; C246-C287 WeakPolarHBondContact CB-SG 3.32Å; C246-C287 WeakPolarHBondContact SG-CB 3.18Å; C246-C287 CovalentContact SG-SG 2.01Å; C246-C287 PolarHBondContact SG-SG 2.96Å; Q257-C287 CarbonylContact O-C 3.54Å; Q257-C287 WeakPolarHBondContact O-CA 3.49Å; W258-C287 HydrophobicContact CD2-CB 4.25Å; W258-C287 HydrophobicContact CE3-CB 3.98Å; W258-C287 HydrophobicContact CH2-CB 4.23Å; W258-C287 HydrophobicContact CZ2-CB 4.46Å; W258-C287 HydrophobicContact CZ3-CB 3.98Å; C287-T299 CarbonylContact O-C 3.59Å; C287-T299 WeakPolarHBondContact O-CA 3.37Å; C287-T299 WeakPolarHBondContact O-CG2 3.49Å; C287-S300 PolarHBondContact N-OG 3.05Å; C287-S300 PolarHBondContact O-N 2.82Å; C287-S300 VanDerWaalsContact SG-CB 3.59Å
288R98Very high96.4Very high74 Ų7458.6 Ų58.628%0.27929%0.285SS..EExtended strand (participates in β ladder)trans-104.8122.2171.2-178.5-177-65.3172.5-2.1108.8F256 Q257 F259 Y297 Q298F256-R288 VanDerWaalsContact CA-O 3.31Å; F256-R288 WeakPolarHBondContact CA-O 3.45Å; Q257-R288 PolarHBondContact N-O 2.97Å; Q257-R288 PolarHBondContact O-N 2.84Å; F259-R288 HydrophobicContact CD2-CB 4.25Å; F259-R288 HydrophobicContact CE2-CB 3.58Å; F259-R288 VanDerWaalsContact CZ-NH2 3.32Å; R288-Y297 HydrophobicContact CG-CD2 4.19Å; R288-Y297 HydrophobicContact CG-CG 4.47Å; R288-Q298 CarbonylContact C-O 3.53Å; R288-Q298 WeakPolarHBondContact CA-O 3.45Å
289A98.5Very high96.6Very high0 Ų057.5 Ų57.50%028%0.284CS..EExtended strand (participates in β ladder)trans-87.9132.6167.400000108.9P222 V225 A248 A254 E255 F256 Y297 Q298P222-A289 HydrophobicContact CB-CB 3.63Å; P222-A289 HydrophobicContact CG-CB 4.1Å; P222-A289 WeakPolarHBondContact CG-O 3.35Å; V225-A289 HydrophobicContact CG1-CB 4.15Å; V225-A289 HydrophobicContact CG2-CB 3.87Å; A248-A289 HydrophobicContact CB-CB 3.68Å; A254-A289 HydrophobicContact CB-CB 3.93Å; E255-A289 CarbonylContact O-C 3.58Å; E255-A289 WeakPolarHBondContact O-CA 3.46Å; F256-A289 HydrophobicContact CD1-CB 3.97Å; F256-A289 HydrophobicContact CE1-CB 3.65Å; F256-A289 HydrophobicContact CZ-CB 4.43Å; A289-Y297 CarbonylContact O-C 3.54Å; A289-Y297 WeakPolarHBondContact O-CA 3.45Å; A289-Y297 VanDerWaalsContact O-CB 3.29Å; A289-Y297 WeakPolarHBondContact O-CB 2.97Å; A289-Q298 PolarHBondContact N-O 3.17Å; A289-Q298 PolarHBondContact O-N 3.15Å
290F97.9Very high96.9Very high51 Ų5154.6 Ų54.622%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-130.5130.8178.7173.3-113.2000110.2A254 E255 N292 L296A254-F290 CarbonylContact C-O 3.43Å; A254-F290 WeakPolarHBondContact CA-O 3.47Å; E255-F290 PolarHBondContact N-O 2.83Å; E255-F290 PolarHBondContact O-N 2.84Å; F290-N292 HydrophobicContact CE1-CB 3.95Å; F290-L296 WeakPolarHBondContact CD2-O 3.44Å
291N97.7Very high97.1Very high1 Ų156.7 Ų56.71%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-105.8113.4173.5-179.9-41.3000109.3Y220 S250 N251 P252 K293 T294 Q295 L296Y220-N291 PolarHBondContact O-ND2 3.25Å; S250-N291 PolarHBondContact OG-ND2 3.24Å; N251-N291 PolarHBondContact O-ND2 2.83Å; P252-N291 PolarHBondContact O-ND2 3.16Å; P252-N291 VanDerWaalsContact O-ND2 3.08Å; N291-K293 PolarHBondContact O-N 2.76Å; N291-K293 WeakPolarHBondContact OD1-CA 3.43Å; N291-K293 WeakPolarHBondContact OD1-CB 3.26Å; N291-K293 PolarHBondContact OD1-N 3.43Å; N291-T294 WeakPolarHBondContact CB-OG1 3.47Å; N291-T294 PolarHBondContact O-N 3.25Å; N291-T294 PolarHBondContact OD1-N 2.97Å; N291-Q295 WeakPolarHBondContact O-CA 3.35Å; N291-Q295 PolarHBondContact O-N 2.79Å; N291-L296 PolarHBondContact N-O 3.43Å
292N96.2Very high97.1Very high101 Ų10158 Ų5854%0.5428%0.282SS..THydrogen-bonded Turntrans-70-16.8-175.7-166.127.6000113.5F290 Q295F290-N292 HydrophobicContact CE1-CB 3.95Å; N292-Q295 PolarHBondContact O-NE2 3.44Å; N292-Q295 PolarHBondContact OD1-NE2 3.48Å; N292-Q295 VanDerWaalsContact OD1-NE2 3.07Å
293K94.9Very high97.2Very high82 Ų8257.5 Ų57.536%0.35728%0.28SS..THydrogen-bonded Turntrans-83.8-44.5176.5-173.7165176.6-173.50111.7D138 S219 P252 N291D138-K293 WeakPolarHBondContact OD1-CE 3.41Å; D138-K293 IonicContact OD1-NZ 2.69Å; D138-K293 PolarHBondContact OD1-NZ 3.18Å; D138-K293 WeakPolarHBondContact OD2-CE 3.09Å; D138-K293 IonicContact OD2-NZ 3.88Å; D138-K293 PolarHBondContact OD2-NZ 3.02Å; S219-K293 VanDerWaalsContact OG-CD 3.24Å; S219-K293 WeakPolarHBondContact OG-CD 3.43Å; S219-K293 WeakPolarHBondContact OG-CE 3.31Å; S219-K293 PolarHBondContact OG-NZ 3.18Å; P252-K293 HydrophobicContact CG-CB 3.95Å; P252-K293 HydrophobicContact CG-CD 4.43Å; N291-K293 PolarHBondContact O-N 2.76Å; N291-K293 WeakPolarHBondContact OD1-CA 3.43Å; N291-K293 WeakPolarHBondContact OD1-CB 3.26Å; N291-K293 PolarHBondContact OD1-N 3.43Å
294T95.5Very high97.2Very high15 Ų1563.2 Ų63.29%0.09230%0.304CS..THydrogen-bonded Turntrans-85.7-13.4179.764.80000113.2I140 G221 N291 L296I140-T294 HydrophobicContact CG1-CG2 4.42Å; I140-T294 HydrophobicContact CG2-CG2 3.92Å; G221-T294 WeakPolarHBondContact CA-OG1 3.43Å; N291-T294 WeakPolarHBondContact CB-OG1 3.47Å; N291-T294 PolarHBondContact O-N 3.25Å; N291-T294 PolarHBondContact OD1-N 2.97Å; T294-L296 PolarHBondContact O-N 2.88Å; T294-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 PolarHBondContact OG1-N 2.71Å
295Q95.8Very high97.2Very high119 Ų11960.5 Ų60.556%0.55629%0.289SS*.THydrogen-bonded Turntrans59.616.3-173.4-61-68-51.400113.5N291 N292N291-Q295 WeakPolarHBondContact O-CA 3.35Å; N291-Q295 PolarHBondContact O-N 2.79Å; N292-Q295 PolarHBondContact O-NE2 3.44Å; N292-Q295 PolarHBondContact OD1-NE2 3.48Å; N292-Q295 VanDerWaalsContact OD1-NE2 3.07Å
296L96.2Very high97.1Very high96 Ų9661.3 Ų61.350%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-92.8147.6177.3-63.4176.3000110.6P222 F290 N291 T294P222-L296 WeakPolarHBondContact CD-O 3.16Å; F290-L296 WeakPolarHBondContact CD2-O 3.44Å; N291-L296 PolarHBondContact N-O 3.43Å; T294-L296 PolarHBondContact O-N 2.88Å; T294-L296 VanDerWaalsContact O-N 3.16Å; T294-L296 PolarHBondContact OG1-N 2.71Å
297Y97.3Very high97Very high148 Ų14861.1 Ų61.158%0.5829%0.294SS*.EExtended strand (participates in β ladder)trans-135.4152.9172.162.1-87.6000110.8R288 A289R288-Y297 HydrophobicContact CG-CD2 4.19Å; R288-Y297 HydrophobicContact CG-CG 4.47Å; A289-Y297 CarbonylContact O-C 3.54Å; A289-Y297 WeakPolarHBondContact O-CA 3.45Å; A289-Y297 VanDerWaalsContact O-CB 3.29Å; A289-Y297 WeakPolarHBondContact O-CB 2.97Å
298Q97.9Very high96.7Very high85 Ų8564 Ų6440%0.39731%0.311SS..EExtended strand (participates in β ladder)trans-139.3146.3169.1-176.6170.39.100109.2P222 V225 R288 A289P222-Q298 HydrophobicContact CG-CB 4.49Å; P222-Q298 PolarHBondContact O-OE1 3.31Å; P222-Q298 VanDerWaalsContact O-OE1 3.11Å; V225-Q298 HydrophobicContact CB-CG 4.42Å; V225-Q298 HydrophobicContact CG2-CB 3.61Å; V225-Q298 HydrophobicContact CG2-CG 3.7Å; R288-Q298 CarbonylContact C-O 3.53Å; R288-Q298 WeakPolarHBondContact CA-O 3.45Å; A289-Q298 PolarHBondContact N-O 3.17Å; A289-Q298 PolarHBondContact O-N 3.15Å
299T97.6Very high96.5Very high54 Ų5461.5 Ų61.533%0.33130%0.304SS..EExtended strand (participates in β ladder)trans-109.2139.8179.6-540000109.3C287C287-T299 CarbonylContact O-C 3.59Å; C287-T299 WeakPolarHBondContact O-CA 3.37Å; C287-T299 WeakPolarHBondContact O-CG2 3.49Å
300S98.1Very high96.1Very high10 Ų1065.3 Ų65.37%0.0732%0.322CS..PPolyproline II helixtrans-62.5164.2175.8740000111.7S286 C287S286-S300 WeakPolarHBondContact CA-OG 3.46Å; S286-S300 WeakPolarHBondContact CB-OG 3.41Å; C287-S300 PolarHBondContact N-OG 3.05Å; C287-S300 PolarHBondContact O-N 2.82Å; C287-S300 VanDerWaalsContact SG-CB 3.59Å
301Q96.6Very high95.8Very high174 Ų17468.2 Ų68.281%0.81334%0.339SS*.PPolyproline II helixtrans-60.8156.7160.2-65.4-176.3-7.800110.7
302L96.6Very high95.6Very high95 Ų9568.4 Ų68.450%0.49734%0.34SS..PPolyproline II helixtrans-74.6137.3177.5-63.6169.1000110.3N284 Y285N284-L302 HydrophobicContact CB-CB 4.48Å; N284-L302 HydrophobicContact CB-CD1 4.47Å; N284-L302 HydrophobicContact CB-CD2 4.1Å; Y285-L302 WeakPolarHBondContact O-CA 3.26Å
303S96.8Very high95.6Very high30 Ų3067.2 Ų67.221%0.2134%0.336CS..EExtended strand (participates in β ladder)trans-113.3121.7167.2-169.50000109.4V229 Y285V229-S303 WeakPolarHBondContact CG2-OG 3.26Å; Y285-S303 PolarHBondContact N-O 3.01Å; Y285-S303 PolarHBondContact O-N 2.88Å
304F97.3Very high95.5Very high123 Ų12366 Ų6654%0.53935%0.347SS..EExtended strand (participates in β ladder)trans-86.6119.1178.2-175-105.8000110.1T282 G283 N284T282-F304 HydrophobicContact CG2-CE1 4.49Å; T282-F304 HydrophobicContact CG2-CE2 4.25Å; T282-F304 HydrophobicContact CG2-CZ 3.75Å; G283-F304 WeakPolarHBondContact O-CA 3.34Å; N284-F304 WeakPolarHBondContact OD1-CD2 3.45Å
305I97.8Very high95.6Very high2 Ų266.2 Ų66.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-98.9119.4174.1-57-59.6000108.1V229 Y236 I242 L244 T282 G283 Y285 V307V229-I305 HydrophobicContact CB-CD1 4.46Å; V229-I305 HydrophobicContact CG1-CD1 3.73Å; V229-I305 HydrophobicContact CG2-CD1 3.94Å; Y236-I305 HydrophobicContact CD2-CG2 4.03Å; Y236-I305 HydrophobicContact CE2-CD1 4.22Å; Y236-I305 HydrophobicContact CE2-CG2 4.22Å; I242-I305 HydrophobicContact CD1-CG2 3.75Å; L244-I305 HydrophobicContact CD2-CD1 4.4Å; L244-I305 HydrophobicContact CD2-CG1 4.38Å; T282-I305 VanDerWaalsContact CA-O 3.24Å; T282-I305 WeakPolarHBondContact CA-O 3.32Å; T282-I305 WeakPolarHBondContact CG2-O 3.29Å; G283-I305 PolarHBondContact N-O 2.79Å; G283-I305 PolarHBondContact O-N 3.05Å; Y285-I305 HydrophobicContact CD2-CB 3.91Å; Y285-I305 HydrophobicContact CD2-CG1 3.43Å; Y285-I305 VanDerWaalsContact CD2-CG1 3.43Å; Y285-I305 HydrophobicContact CE2-CB 3.69Å; Y285-I305 HydrophobicContact CE2-CG1 3.65Å; Y285-I305 HydrophobicContact CG-CG1 4.17Å; I305-V307 HydrophobicContact CG2-CG2 4.2Å
306S96.3Very high95.7Very high19 Ų1964.6 Ų64.613%0.13335%0.346CS..  trans-104.9118.4176.2-176.80000110.5N235 Y236N235-S306 VanDerWaalsContact OD1-CB 3.26Å; N235-S306 WeakPolarHBondContact OD1-CB 3.31Å; N235-S306 PolarHBondContact OD1-OG 2.85Å; Y236-S306 PolarHBondContact N-O 2.8Å
307V95.7Very high95.7Very high5 Ų560.3 Ų60.33%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-110.3120.1176.1-175.60000109.9Y236 E238 V277 T282 I305Y236-V307 CarbonylContact O-C 3.5Å; Y236-V307 WeakPolarHBondContact O-CA 3.05Å; E238-V307 HydrophobicContact CB-CG1 4.32Å; V277-V307 HydrophobicContact CB-CG1 4.44Å; V277-V307 HydrophobicContact CB-CG2 4.1Å; V277-V307 HydrophobicContact CG2-CG1 3.81Å; V277-V307 HydrophobicContact CG2-CG2 3.85Å; T282-V307 PolarHBondContact OG1-N 2.78Å; T282-V307 PolarHBondContact OG1-O 2.8Å; I305-V307 HydrophobicContact CG2-CG2 4.2Å
308V93.3Very high95.6Very high59 Ų5960.4 Ų60.436%0.35832%0.323SS..EExtended strand (participates in β ladder)trans-119.5153.4-173.5-59.30000112.4N235 Y236 E238N235-V308 HydrophobicContact CB-CG1 4.24Å; N235-V308 HydrophobicContact CB-CG2 4.02Å; Y236-V308 PolarHBondContact O-N 2.01Å; E238-V308 PolarHBondContact N-O 2.82Å
309V92Very high95.3Very high23 Ų2358.8 Ų58.814%0.13932%0.321CS..PPolyproline II helixtrans-97.7127.4172.1-175.70000108.6V279 N387 V389V279-V309 HydrophobicContact CG2-CG2 3.63Å; V309-N387 HydrophobicContact CG1-CB 4.32Å; V309-V389 HydrophobicContact CB-CG2 4.08Å; V309-V389 HydrophobicContact CG1-CG2 4.07Å
310E90Very high94.7Very high80 Ų8059.1 Ų59.137%0.37432%0.324SS..PPolyproline II helixtrans-67.2139.1177.2-80.9178.5-164.800112.2K237 N387K237-E310 HydrophobicContact CD-CG 4.31Å; K237-E310 VanDerWaalsContact CD-OE1 3.22Å; K237-E310 WeakPolarHBondContact CD-OE1 3.13Å; K237-E310 VanDerWaalsContact CE-OE1 3.26Å; K237-E310 WeakPolarHBondContact CE-OE1 3.42Å; K237-E310 WeakPolarHBondContact CE-OE2 3.44Å; K237-E310 HydrophobicContact CG-CG 4.27Å; K237-E310 IonicContact NZ-OE1 2.68Å; K237-E310 PolarHBondContact NZ-OE1 2.85Å; K237-E310 IonicContact NZ-OE2 2.71Å; K237-E310 PolarHBondContact NZ-OE2 2.71Å; E310-N387 PolarHBondContact O-ND2 2.94Å
311L91.6Very high93.8Very high112 Ų11264.2 Ų64.259%0.58637%0.366SS*.PPolyproline II helixtrans-65.4143.2172.7-63.7171.3000111.3V389L311-V389 HydrophobicContact CD2-CB 4.34Å; L311-V389 HydrophobicContact CD2-CG2 3.99Å
312I95.3Very high93.3Very high4 Ų459 Ų592%0.02135%0.353CS..PPolyproline II helixtrans-78.9130.5173.9-62.2168000109.3A337 S338 V341 V385 S386 N387 S390 Q392I312-A337 HydrophobicContact CG2-CB 3.86Å; I312-S338 WeakPolarHBondContact CA-O 3.4Å; I312-V341 HydrophobicContact CD1-CG2 4.23Å; I312-V341 HydrophobicContact CG1-CG2 4.22Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; I312-V385 HydrophobicContact CD1-CB 4.44Å; I312-V385 HydrophobicContact CG2-CB 4.49Å; I312-V385 HydrophobicContact CG2-CG2 3.72Å; I312-S386 VanDerWaalsContact CD1-C 3.41Å; I312-S386 VanDerWaalsContact CD1-CA 3.45Å; I312-N387 HydrophobicContact CD1-CB 4.05Å; I312-S390 PolarHBondContact N-OG 2.68Å; I312-Q392 HydrophobicContact CG2-CB 4.24Å; I312-Q392 HydrophobicContact CG2-CG 4.12Å; I312-Q392 PolarHBondContact O-NE2 2.81Å
313T94.8Very high93.1Very high76 Ų7659 Ų5947%0.46636%0.357SS..EExtended strand (participates in β ladder)trans-135.4152.8178.557.70000112.4A315 S338T313-A315 PolarHBondContact O-N 3.07Å; T313-S338 PolarHBondContact N-O 2.81Å; T313-S338 PolarHBondContact O-N 3.16Å
314G94.3Very high92.9Very high56 Ų5658 Ų5858%0.57735%0.349SS*.EExtended strand (participates in β ladder)trans65.735.3170.700000114.9N316G314-N316 PolarHBondContact O-N 2.92Å
315A96.6Very high92.8Very high21 Ų2153.6 Ų53.617%0.17433%0.331CS..EExtended strand (participates in β ladder)trans-59.7126.4176.600000111.1T313 E336 A337 V385 Q392 A394T313-A315 PolarHBondContact O-N 3.07Å; A315-E336 CarbonylContact C-O 3.59Å; A315-E336 VanDerWaalsContact CA-O 3.28Å; A315-E336 WeakPolarHBondContact CA-O 3.24Å; A315-A337 HydrophobicContact CB-CB 4.25Å; A315-V385 HydrophobicContact CB-CG2 3.89Å; A315-Q392 HydrophobicContact CB-CB 3.56Å; A315-A394 HydrophobicContact CB-CB 4.2Å
316N97.3Very high92.6Very high85 Ų8554.4 Ų54.446%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-146.1152.9-179.7-171.315.8000111.2G314 C335 E336G314-N316 PolarHBondContact O-N 2.92Å; N316-C335 CarbonylContact O-C 3.54Å; N316-C335 WeakPolarHBondContact O-CA 3.18Å; N316-E336 PolarHBondContact N-O 3.16Å; N316-E336 PolarHBondContact O-N 2.86Å
317I97.3Very high92.4Very high6 Ų658.4 Ų58.43%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-109116.7170.4-61.7162.4000108.5L333 T334 C335 W346 C383 A394 L396I317-L333 HydrophobicContact CG2-CB 3.94Å; I317-T334 CarbonylContact C-O 3.54Å; I317-T334 WeakPolarHBondContact CA-O 3.03Å; I317-C335 HydrophobicContact CG1-CB 4.38Å; I317-W346 HydrophobicContact CD1-CZ3 3.89Å; I317-W346 HydrophobicContact CG1-CH2 4.18Å; I317-W346 HydrophobicContact CG1-CZ3 4.03Å; I317-W346 HydrophobicContact CG2-CH2 3.98Å; I317-W346 HydrophobicContact CG2-CZ3 4.07Å; I317-C383 HydrophobicContact CD1-CB 3.88Å; I317-C383 HydrophobicContact CG1-CB 3.9Å; I317-A394 HydrophobicContact CD1-CB 4.18Å; I317-A394 WeakPolarHBondContact CD1-O 3.46Å; I317-A394 HydrophobicContact CG1-CB 3.81Å; I317-L396 HydrophobicContact CB-CB 3.99Å; I317-L396 HydrophobicContact CB-CD2 4.4Å; I317-L396 HydrophobicContact CD1-CB 4.12Å; I317-L396 HydrophobicContact CG2-CB 4.05Å; I317-L396 HydrophobicContact CG2-CD2 3.68Å; I317-L396 HydrophobicContact CG2-CG 4.49Å
318R95.4Very high92.1Very high149 Ų14964.3 Ų64.356%0.56238%0.382SS*.EExtended strand (participates in β ladder)trans-85.9136.3170.4-61.4-167.4-174.7-161.69.3110.3L333 T334 E336R318-L333 WeakPolarHBondContact O-CA 3.26Å; R318-T334 PolarHBondContact N-O 3.1Å; R318-T334 PolarHBondContact O-N 2.82Å; R318-E336 IonicContact CZ-OE1 3.43Å; R318-E336 IonicContact CZ-OE2 3.45Å; R318-E336 VanDerWaalsContact NE-CD 3.29Å; R318-E336 IonicContact NE-OE1 2.79Å; R318-E336 IonicContact NE-OE2 3.3Å; R318-E336 PolarHBondContact NE-OE2 2.77Å; R318-E336 IonicContact NH2-OE2 2.85Å; R318-E336 PolarHBondContact NH2-OE2 2.83Å
319S91.5Very high92.1Very high52 Ų5262.8 Ų62.836%0.36437%0.374SS..  trans-131.2149.8169.163.70000110.4L333S319-L333 VanDerWaalsContact CB-CD2 3.49Å
320P83.6Confident92.2Very high61 Ų6165 Ų6540%0.39639%0.39SS..  trans-58.5140.5173.4-24.231.5000111.9A322 T331 S332P320-A322 PolarHBondContact O-N 2.83Å; P320-T331 WeakPolarHBondContact CD-OG1 3.1Å; P320-T331 WeakPolarHBondContact CG-OG1 3.36Å; P320-S332 WeakPolarHBondContact CD-O 3.36Å
321A79.3Confident92.5Very high116 Ų11661.6 Ų61.696%0.95938%0.375SS*.SBendtrans-7311.9177.500000114.3
322A87.2Confident92.7Very high65 Ų6557.8 Ų57.854%0.53736%0.358SS..SBendtrans-82.2143.3-176.900000111.4P320 L324P320-A322 PolarHBondContact O-N 2.83Å; A322-L324 PolarHBondContact O-N 2.76Å
323V91.1Very high92.7Very high94 Ų9457.6 Ų57.657%0.5736%0.357SS*.PPolyproline II helixtrans-68.3122.5170.8-1800000108.8I325 N401 V472V323-I325 HydrophobicContact CG1-CG1 4.47Å; V323-N401 VanDerWaalsContact CG1-ND2 3.34Å; V323-N401 WeakPolarHBondContact CG1-ND2 3.44Å; V323-V472 HydrophobicContact CG1-CG1 3.64Å
324L94Very high92.8Very high11 Ų1155.3 Ų55.36%0.05834%0.343CS..EExtended strand (participates in β ladder)trans-93.6124.9-177.5-56.4-179.7000110.6A322 T331 V373 L398 N401A322-L324 PolarHBondContact O-N 2.76Å; L324-T331 HydrophobicContact CD1-CG2 3.77Å; L324-T331 HydrophobicContact CD2-CG2 4.33Å; L324-V373 HydrophobicContact CB-CG1 4.38Å; L324-L398 HydrophobicContact CD1-CD1 3.57Å; L324-L398 HydrophobicContact CD1-CG 4.21Å; L324-N401 VanDerWaalsContact O-CB 3.31Å; L324-N401 WeakPolarHBondContact O-CB 3.32Å; L324-N401 PolarHBondContact O-N 2.85Å; L324-N401 PolarHBondContact O-ND2 2.86Å
325I94.2Very high92.9Very high30 Ų3052.6 Ų52.615%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-118.5130.8178.4-59.8174.3000108.9V323 N327 Q328 S329 N401 V472 T473V323-I325 HydrophobicContact CG1-CG1 4.47Å; I325-N327 PolarHBondContact O-N 2.87Å; I325-Q328 HydrophobicContact CB-CB 4.17Å; I325-Q328 HydrophobicContact CG2-CB 4.1Å; I325-Q328 HydrophobicContact CG2-CG 4.13Å; I325-Q328 PolarHBondContact O-N 3.27Å; I325-Q328 VanDerWaalsContact O-N 3.11Å; I325-S329 PolarHBondContact N-OG 2.85Å; I325-S329 PolarHBondContact O-N 2.86Å; I325-S329 PolarHBondContact O-OG 3.15Å; I325-N401 WeakPolarHBondContact CA-O 3.29Å; I325-V472 HydrophobicContact CD1-CG1 4.48Å; I325-V472 HydrophobicContact CG1-CG1 4.38Å; I325-T473 HydrophobicContact CG2-CG2 4.22Å
326E93.7Very high92.9Very high18 Ų1853.8 Ų53.88%0.08432%0.317CS..THydrogen-bonded Turntrans-53.8132.6179.9176.2177.2-123.800112.1Q328 V373 S375 V400 N401 Y402 Y405E326-Q328 PolarHBondContact O-N 2.69Å; E326-V373 WeakPolarHBondContact CA-O 3.46Å; E326-S375 WeakPolarHBondContact OE1-CB 3.31Å; E326-S375 PolarHBondContact OE1-N 2.92Å; E326-S375 PolarHBondContact OE1-OG 3.07Å; E326-V400 HydrophobicContact CB-CG1 4.4Å; E326-N401 PolarHBondContact N-O 3.26Å; E326-Y402 WeakPolarHBondContact OE2-CB 2.97Å; E326-Y405 WeakPolarHBondContact OE2-CE2 3.43Å; E326-Y405 PolarHBondContact OE2-OH 3.47Å
327N91.4Very high92.8Very high104 Ų10451.1 Ų51.156%0.55631%0.307SS*.THydrogen-bonded Turntrans59.76.7-178.1-64.6-35.7000116.1I325 V373 L374I325-N327 PolarHBondContact O-N 2.87Å; N327-V373 PolarHBondContact N-O 2.87Å; N327-L374 WeakPolarHBondContact OD1-CD2 3.14Å
328Q91.1Very high92.6Very high128 Ų12854.3 Ų54.360%0.59833%0.33SS*.THydrogen-bonded Turntrans-120.9-18.2177.9-62.3-179.622.200112.8I325 E326I325-Q328 HydrophobicContact CB-CB 4.17Å; I325-Q328 HydrophobicContact CG2-CB 4.1Å; I325-Q328 HydrophobicContact CG2-CG 4.13Å; I325-Q328 PolarHBondContact O-N 3.27Å; I325-Q328 VanDerWaalsContact O-N 3.11Å; E326-Q328 PolarHBondContact O-N 2.69Å
329S93.1Very high92.4Very high27 Ų2748.7 Ų48.719%0.18932%0.318CS..  trans-118.1160.1-177.2-530000112I325 V373I325-S329 PolarHBondContact N-OG 2.85Å; I325-S329 PolarHBondContact O-N 2.86Å; I325-S329 PolarHBondContact O-OG 3.15Å; S329-V373 WeakPolarHBondContact O-CB 3.4Å; S329-V373 PolarHBondContact O-N 2.91Å
330S94.2Very high92.3Very high70 Ų7047.3 Ų47.349%0.4931%0.308SS..  trans-135.2145.6169.5-77.50000107.4I370S330-I370 WeakPolarHBondContact CA-O 3.14Å
331T95.1Very high92.7Very high8 Ų846.6 Ų46.65%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-144171.9-178.9-163.20000111.6P320 L324 I370 V373P320-T331 WeakPolarHBondContact CD-OG1 3.1Å; P320-T331 WeakPolarHBondContact CG-OG1 3.36Å; L324-T331 HydrophobicContact CD1-CG2 3.77Å; L324-T331 HydrophobicContact CD2-CG2 4.33Å; T331-I370 HydrophobicContact CG2-CB 4.07Å; T331-I370 HydrophobicContact CG2-CD1 4.1Å; T331-I370 HydrophobicContact CG2-CG1 4.4Å; T331-I370 PolarHBondContact N-O 2.91Å; T331-I370 PolarHBondContact O-N 2.97Å; T331-V373 HydrophobicContact CG2-CG2 3.92Å
332S95.5Very high93.3Very high33 Ų3346.1 Ų46.123%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-140.3140.8172.257.90000111.2P320 M368P320-S332 WeakPolarHBondContact CD-O 3.36Å; S332-M368 CarbonylContact C-O 3.59Å; S332-M368 WeakPolarHBondContact CA-O 3.31Å; S332-M368 WeakPolarHBondContact CB-O 3.35Å
333L95.9Very high93.6Very high0 Ų045.8 Ų45.80%027%0.274CS..EExtended strand (participates in β ladder)trans-108.1118.4173.4-54-175.7000108.3I317 R318 S319 W346 T367 M368 Y381 L396 L398I317-L333 HydrophobicContact CG2-CB 3.94Å; R318-L333 WeakPolarHBondContact O-CA 3.26Å; S319-L333 VanDerWaalsContact CB-CD2 3.49Å; L333-W346 HydrophobicContact CB-CH2 3.75Å; L333-W346 HydrophobicContact CB-CZ3 3.99Å; L333-W346 WeakPolarHBondContact O-CH2 3.27Å; L333-W346 WeakPolarHBondContact O-CZ2 3.48Å; L333-T367 CarbonylContact O-C 3.2Å; L333-T367 WeakPolarHBondContact O-CA 3.38Å; L333-M368 HydrophobicContact CB-CB 4.42Å; L333-M368 HydrophobicContact CD1-SD 4.48Å; L333-M368 PolarHBondContact N-O 3.28Å; L333-M368 PolarHBondContact O-N 2.99Å; L333-Y381 HydrophobicContact CD1-CD1 3.7Å; L333-Y381 HydrophobicContact CD1-CD2 3.96Å; L333-Y381 HydrophobicContact CD1-CE1 4.13Å; L333-Y381 HydrophobicContact CD1-CE2 4.39Å; L333-Y381 HydrophobicContact CD1-CG 3.59Å; L333-L396 HydrophobicContact CD2-CD2 3.75Å; L333-L398 HydrophobicContact CD1-CD2 4.46Å; L333-L398 HydrophobicContact CD2-CD1 4.14Å
334T97.1Very high93.8Very high27 Ų2742.9 Ų42.917%0.16625%0.253CS..EExtended strand (participates in β ladder)trans-108.3118.9-179.5-59.70000109.4I317 R318 E336 R366 T367I317-T334 CarbonylContact C-O 3.54Å; I317-T334 WeakPolarHBondContact CA-O 3.03Å; R318-T334 PolarHBondContact N-O 3.1Å; R318-T334 PolarHBondContact O-N 2.82Å; T334-E336 HydrophobicContact CG2-CG 4.05Å; T334-R366 HydrophobicContact CG2-CG 4.15Å; T334-T367 WeakPolarHBondContact OG1-CG2 3.32Å; T334-T367 PolarHBondContact OG1-OG1 3.38Å; T334-T367 VanDerWaalsContact OG1-OG1 3.1Å
335C96.9Very high93.9Very high0 Ų046.2 Ų46.20%027%0.268CS..EExtended strand (participates in β ladder)trans-90.7120.6176.1-172.90000109.7N316 I317 R344 W346 R366 C383N316-C335 CarbonylContact O-C 3.54Å; N316-C335 WeakPolarHBondContact O-CA 3.18Å; I317-C335 HydrophobicContact CG1-CB 4.38Å; C335-R344 VanDerWaalsContact C-NH1 3.28Å; C335-R344 VanDerWaalsContact O-CZ 3.3Å; C335-R344 PolarHBondContact O-NH1 2.88Å; C335-R344 PolarHBondContact SG-NH1 3.17Å; C335-W346 HydrophobicContact CB-CH2 3.63Å; C335-W346 HydrophobicContact CB-CZ2 3.41Å; C335-W346 VanDerWaalsContact CB-CZ2 3.41Å; C335-R366 PolarHBondContact N-O 2.87Å; C335-R366 WeakPolarHBondContact O-CG 3.33Å; C335-C383 HydrophobicContact CB-CB 3.64Å; C335-C383 WeakPolarHBondContact CB-SG 3.36Å; C335-C383 WeakPolarHBondContact SG-CB 3.45Å; C335-C383 CovalentContact SG-SG 2.01Å; C335-C383 PolarHBondContact SG-SG 2.96Å
336E95.8Very high94Very high46 Ų4645.5 Ų45.522%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-115.2145.5-179.2-62.6-164.3153.900110.2A315 N316 R318 T334 R366A315-E336 CarbonylContact C-O 3.59Å; A315-E336 VanDerWaalsContact CA-O 3.28Å; A315-E336 WeakPolarHBondContact CA-O 3.24Å; N316-E336 PolarHBondContact N-O 3.16Å; N316-E336 PolarHBondContact O-N 2.86Å; R318-E336 IonicContact CZ-OE1 3.43Å; R318-E336 IonicContact CZ-OE2 3.45Å; R318-E336 VanDerWaalsContact NE-CD 3.29Å; R318-E336 IonicContact NE-OE1 2.79Å; R318-E336 IonicContact NE-OE2 3.3Å; R318-E336 PolarHBondContact NE-OE2 2.77Å; R318-E336 IonicContact NH2-OE2 2.85Å; R318-E336 PolarHBondContact NH2-OE2 2.83Å; T334-E336 HydrophobicContact CG2-CG 4.05Å; E336-R366 IonicContact OE1-NH2 3.71Å; E336-R366 PolarHBondContact OE1-NH2 3.47Å
337A95.9Very high94Very high28 Ų2846.2 Ų46.223%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-157.1152.6171.700000108.4I312 A315 V341 V385I312-A337 HydrophobicContact CG2-CB 3.86Å; A315-A337 HydrophobicContact CB-CB 4.25Å; A337-V341 HydrophobicContact CB-CG2 4.08Å; A337-V385 HydrophobicContact CB-CG2 3.93Å
338S93.2Very high94.1Very high74 Ų7443.2 Ų43.252%0.51725%0.249SC..EExtended strand (participates in β ladder)trans-94.1158.4172.2-62.90000110.4I312 T313I312-S338 WeakPolarHBondContact CA-O 3.4Å; T313-S338 PolarHBondContact N-O 2.81Å; T313-S338 PolarHBondContact O-N 3.16Å
339G90.4Very high94.2Very high30 Ų3041.2 Ų41.231%0.30924%0.243SC..SBendtrans94.3-168.5-177.600000113.7V341G339-V341 PolarHBondContact O-N 3.04Å
340S90.5Very high93.9Very high23 Ų2342.5 Ų42.516%0.16126%0.26CS..  trans-86.292.1-178.1-67.30000111.6K237 N387K237-S340 WeakPolarHBondContact CE-OG 3.36Å; S340-N387 WeakPolarHBondContact O-CB 3.46Å; S340-N387 PolarHBondContact O-ND2 3.08Å
341V92.3Very high93.7Very high47 Ų4748.2 Ų48.229%0.28527%0.271SS..  trans-85.5121.5176.6179.90000110.7I312 A337 G339 T343 V385I312-V341 HydrophobicContact CD1-CG2 4.23Å; I312-V341 HydrophobicContact CG1-CG2 4.22Å; I312-V341 HydrophobicContact CG2-CG2 4.44Å; A337-V341 HydrophobicContact CB-CG2 4.08Å; G339-V341 PolarHBondContact O-N 3.04Å; V341-T343 WeakPolarHBondContact CG1-O 3.34Å; V341-V385 HydrophobicContact CG1-CB 3.97Å; V341-V385 HydrophobicContact CG1-CG1 3.83Å; V341-V385 HydrophobicContact CG2-CB 4.37Å; V341-V385 HydrophobicContact CG2-CG1 4.49Å
342I90.8Very high93.5Very high106 Ų10653.2 Ų53.254%0.54430%0.304SS..  trans-101.1-46.8177-58.6-167.4000111.2S386 N387 P388I342-S386 PolarHBondContact N-O 2.85Å; I342-N387 HydrophobicContact CB-CB 4.48Å; I342-N387 HydrophobicContact CD1-CB 4.28Å; I342-N387 HydrophobicContact CG1-CB 3.96Å; I342-P388 HydrophobicContact CD1-CG 4.21Å
343T94.4Very high93.1Very high57 Ų5752.2 Ų52.235%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-117.8148.9179.266.90000111.4V341 V385 S386V341-T343 WeakPolarHBondContact CG1-O 3.34Å; T343-V385 WeakPolarHBondContact O-CA 3.45Å; T343-S386 PolarHBondContact N-O 2.92Å; T343-S386 PolarHBondContact O-N 3.17Å; T343-S386 PolarHBondContact OG1-OG 2.62Å
344R95.6Very high92.4Very high34 Ų3458.8 Ų58.813%0.12833%0.331CS..EExtended strand (participates in β ladder)trans-140.7117.2176.8-171175.2-64.4-85.42.9109.9C335 N365 R384 V385C335-R344 VanDerWaalsContact C-NH1 3.28Å; C335-R344 VanDerWaalsContact O-CZ 3.3Å; C335-R344 PolarHBondContact O-NH1 2.88Å; C335-R344 PolarHBondContact SG-NH1 3.17Å; R344-N365 HydrophobicContact CB-CB 4.43Å; R344-N365 WeakPolarHBondContact CD-O 3.22Å; R344-R384 WeakPolarHBondContact CA-O 3.32Å; R344-V385 HydrophobicContact CB-CG1 4.37Å; R344-V385 HydrophobicContact CG-CG1 4Å
345E94.9Very high91.4Very high81 Ų8163.4 Ų63.438%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-121.4127-175-68.3176.1-156.300110.4C383 R384E345-C383 CarbonylContact O-C 3.48Å; E345-C383 WeakPolarHBondContact O-CA 3.3Å; E345-R384 PolarHBondContact N-O 3.21Å; E345-R384 PolarHBondContact O-N 3.18Å; E345-R384 IonicContact OE1-CZ 3.69Å; E345-R384 IonicContact OE1-NH2 2.98Å; E345-R384 PolarHBondContact OE1-NH2 3.03Å; E345-R384 IonicContact OE2-CZ 3.54Å; E345-R384 IonicContact OE2-NH1 2.95Å; E345-R384 PolarHBondContact OE2-NH1 3Å; E345-R384 IonicContact OE2-NH2 3.08Å; E345-R384 PolarHBondContact OE2-NH2 3.18Å
346W95.5Very high90.2Very high15 Ų1565 Ų656%0.05737%0.365CS..EExtended strand (participates in β ladder)trans-98.6138.3175.3-71.393.2000111.1I317 L333 C335 L353 L361 N365 M368 Q382 C383I317-W346 HydrophobicContact CD1-CZ3 3.89Å; I317-W346 HydrophobicContact CG1-CH2 4.18Å; I317-W346 HydrophobicContact CG1-CZ3 4.03Å; I317-W346 HydrophobicContact CG2-CH2 3.98Å; I317-W346 HydrophobicContact CG2-CZ3 4.07Å; L333-W346 HydrophobicContact CB-CH2 3.75Å; L333-W346 HydrophobicContact CB-CZ3 3.99Å; L333-W346 WeakPolarHBondContact O-CH2 3.27Å; L333-W346 WeakPolarHBondContact O-CZ2 3.48Å; C335-W346 HydrophobicContact CB-CH2 3.63Å; C335-W346 HydrophobicContact CB-CZ2 3.41Å; C335-W346 VanDerWaalsContact CB-CZ2 3.41Å; W346-L353 HydrophobicContact CB-CB 4.26Å; W346-L353 HydrophobicContact CB-CD2 4.11Å; W346-L353 PolarHBondContact O-N 2.83Å; W346-L361 HydrophobicContact CG-CD2 4.3Å; W346-N365 PolarHBondContact NE1-O 3.12Å; W346-M368 HydrophobicContact CB-CE 3.91Å; W346-M368 HydrophobicContact CD2-CE 3.63Å; W346-M368 HydrophobicContact CE3-CE 3.48Å; W346-M368 VanDerWaalsContact CE3-CE 3.48Å; W346-M368 HydrophobicContact CG-CE 3.85Å; W346-M368 HydrophobicContact CZ2-CB 4.37Å; W346-M368 HydrophobicContact CZ3-CE 4.13Å; W346-Q382 WeakPolarHBondContact CA-O 3.34Å; W346-C383 HydrophobicContact CD2-CB 4.19Å; W346-C383 HydrophobicContact CE3-CB 3.9Å; W346-C383 HydrophobicContact CH2-CB 4.29Å; W346-C383 HydrophobicContact CZ3-CB 3.96Å
347M94.9Very high89.1Confident32 Ų3273 Ų7316%0.15840%0.402CS..EExtended strand (participates in β ladder)trans-132.4148.6176.8-63.5174.5-69.100109.6R351 Y381 Q382 R384M347-R351 CarbonylContact C-O 3.58Å; M347-R351 WeakPolarHBondContact CA-O 3.12Å; M347-R351 VanDerWaalsContact CB-O 3.29Å; M347-R351 WeakPolarHBondContact CB-O 3.33Å; M347-Y381 WeakPolarHBondContact O-CA 3.22Å; M347-Q382 HydrophobicContact CB-CB 4.2Å; M347-Q382 HydrophobicContact CE-CB 3.99Å; M347-Q382 PolarHBondContact N-O 2.03Å; M347-Q382 PolarHBondContact O-N 3.06Å; M347-R384 HydrophobicContact CE-CB 4.25Å
348K93.9Very high88.6Confident42 Ų4272 Ų7218%0.18339%0.394CS..EExtended strand (participates in β ladder)trans-125.6128.5171.8-178.3-180-171.2-74.80108.8G350 R351 L353 S376 H378 N380 Y381K348-G350 PolarHBondContact O-N 2.91Å; K348-G350 VanDerWaalsContact O-N 3.13Å; K348-R351 PolarHBondContact N-O 2.87Å; K348-R351 PolarHBondContact O-N 3.37Å; K348-L353 HydrophobicContact CB-CD1 3.85Å; K348-S376 WeakPolarHBondContact CE-O 3.43Å; K348-S376 PolarHBondContact NZ-O 2.98Å; K348-S376 VanDerWaalsContact NZ-O 3.13Å; K348-H378 WeakPolarHBondContact CE-O 3.46Å; K348-H378 PolarHBondContact NZ-O 2.87Å; K348-N380 WeakPolarHBondContact CA-O 3.42Å; K348-Y381 HydrophobicContact CB-CD1 4.45Å; K348-Y381 HydrophobicContact CB-CE1 4.3Å; K348-Y381 HydrophobicContact CD-CE1 4.16Å; K348-Y381 HydrophobicContact CD-CE2 4.34Å; K348-Y381 HydrophobicContact CG-CE1 4.3Å; K348-Y381 HydrophobicContact CG-CE2 4.45Å
349D91.4Very high88.5Confident85 Ų8569.5 Ų69.546%0.45538%0.375SS..THydrogen-bonded Turntrans51.538.4177.3-55.1-46.1000112.9R351 N380D349-R351 VanDerWaalsContact C-N 3.34Å; D349-R351 PolarHBondContact O-N 3.09Å; D349-N380 PolarHBondContact N-O 2.93Å; D349-N380 PolarHBondContact OD1-N 2.79Å
350G87.8Confident88.6Confident54 Ų5471 Ų7156%0.55738%0.38SS*.THydrogen-bonded Turntrans79.36.2179.200000115.6K348K348-G350 PolarHBondContact O-N 2.91Å; K348-G350 VanDerWaalsContact O-N 3.13Å
351R90.7Very high88.8Confident191 Ų19172 Ų7272%0.72138%0.384SS*.EExtended strand (participates in β ladder)trans-117.2153.3177.2-62.5-175.7-178-175.70.8111.2M347 K348 D349 L353M347-R351 CarbonylContact C-O 3.58Å; M347-R351 WeakPolarHBondContact CA-O 3.12Å; M347-R351 VanDerWaalsContact CB-O 3.29Å; M347-R351 WeakPolarHBondContact CB-O 3.33Å; K348-R351 PolarHBondContact N-O 2.87Å; K348-R351 PolarHBondContact O-N 3.37Å; D349-R351 VanDerWaalsContact C-N 3.34Å; D349-R351 PolarHBondContact O-N 3.09Å; R351-L353 PolarHBondContact O-N 3.29Å
352P89.6Confident88.9Confident113 Ų11371 Ų7173%0.73438%0.379SS*.EExtended strand (participates in β ladder)trans-50.2138.6169.3-25.334.6000110.4D354P352-D354 PolarHBondContact O-N 2.9Å
353L87Confident88.9Confident12 Ų1275.7 Ų75.76%0.06340%0.401CS..PPolyproline II helixtrans-59.3125.1-177.7-166.875.7000110.4W346 K348 R351 F355 I359 M368 Y381W346-L353 HydrophobicContact CB-CB 4.26Å; W346-L353 HydrophobicContact CB-CD2 4.11Å; W346-L353 PolarHBondContact O-N 2.83Å; K348-L353 HydrophobicContact CB-CD1 3.85Å; R351-L353 PolarHBondContact O-N 3.29Å; L353-F355 HydrophobicContact CD2-CD1 4.26Å; L353-F355 HydrophobicContact CD2-CE1 3.82Å; L353-F355 HydrophobicContact CD2-CZ 4.43Å; L353-I359 HydrophobicContact CD1-CD1 4.32Å; L353-I359 HydrophobicContact CD2-CG2 3.72Å; L353-I359 HydrophobicContact CG-CG2 4.49Å; L353-M368 HydrophobicContact CD1-CE 3.69Å; L353-M368 HydrophobicContact CD1-SD 4.2Å; L353-M368 HydrophobicContact CD2-CE 3.32Å; L353-M368 HydrophobicContact CD2-CG 4.27Å; L353-M368 HydrophobicContact CD2-SD 3.85Å; L353-M368 HydrophobicContact CG-CE 4.13Å; L353-Y381 HydrophobicContact CD1-CD1 4.33Å; L353-Y381 HydrophobicContact CD1-CE1 3.87Å
354D81.3Confident88.8Confident137 Ų13777.7 Ų77.773%0.73341%0.409SS*.PPolyproline II helixtrans-81.6119.2170.4-172.210.5000109.1P352 G356P352-D354 PolarHBondContact O-N 2.9Å; D354-G356 PolarHBondContact O-N 3.2Å
355F77.1Confident88.7Confident124 Ų12479.2 Ų79.254%0.54442%0.42SS..  trans-79.866.9179-59.6-74.4000109.5L353 I359 L361L353-F355 HydrophobicContact CD2-CD1 4.26Å; L353-F355 HydrophobicContact CD2-CE1 3.82Å; L353-F355 HydrophobicContact CD2-CZ 4.43Å; F355-I359 HydrophobicContact CD1-CG2 4.33Å; F355-L361 HydrophobicContact CE1-CD1 3.36Å; F355-L361 HydrophobicContact CE1-CG 3.82Å; F355-L361 HydrophobicContact CZ-CD1 3.61Å
356G71.9Confident88.8Confident34 Ų3480.5 Ų80.535%0.35142%0.422SS..  trans-62.9172.9169.100000111.6D354 S358 I359D354-G356 PolarHBondContact O-N 3.2Å; G356-S358 PolarHBondContact O-N 2.61Å; G356-I359 PolarHBondContact O-N 2.88Å; G356-I359 VanDerWaalsContact O-N 3.1Å
357Q73.1Confident88.8Confident213 Ų21380.8 Ų80.8100%0.99543%0.425SS*.THydrogen-bonded Turntrans-60.5-20.4-173.6-66.8-174.5400115
358S84Confident88.8Confident9 Ų979.2 Ų79.26%0.06342%0.417CS..THydrogen-bonded Turntrans-93-7.8-179.564.50000114.7G356 I370 R371 P372 N377G356-S358 PolarHBondContact O-N 2.61Å; S358-I370 CarbonylContact O-C 3.55Å; S358-I370 VanDerWaalsContact O-CA 3.27Å; S358-I370 WeakPolarHBondContact O-CA 3.45Å; S358-R371 WeakPolarHBondContact CA-O 3.48Å; S358-R371 PolarHBondContact O-N 2.82Å; S358-P372 VanDerWaalsContact CB-O 3.26Å; S358-P372 WeakPolarHBondContact CB-O 3.37Å; S358-N377 PolarHBondContact OG-OD1 2.98Å
359I91.8Very high88.8Confident20 Ų2079.9 Ų79.910%0.10342%0.42CS..EExtended strand (participates in β ladder)trans-111.9131.3-172.8-60.9-177.3000110.5L353 F355 G356 M368 F369 I370L353-I359 HydrophobicContact CD1-CD1 4.32Å; L353-I359 HydrophobicContact CD2-CG2 3.72Å; L353-I359 HydrophobicContact CG-CG2 4.49Å; F355-I359 HydrophobicContact CD1-CG2 4.33Å; G356-I359 PolarHBondContact O-N 2.88Å; G356-I359 VanDerWaalsContact O-N 3.1Å; I359-M368 HydrophobicContact CG2-CG 3.74Å; I359-M368 HydrophobicContact CG2-SD 3.99Å; I359-F369 WeakPolarHBondContact CA-O 3.1Å; I359-I370 HydrophobicContact CG1-CG1 4.48Å
360S92.8Very high88.9Confident61 Ų6175.8 Ų75.843%0.42740%0.398SS..EExtended strand (participates in β ladder)trans-137.9158.6170.453.30000111M368 F369S360-M368 CarbonylContact O-C 3.51Å; S360-M368 WeakPolarHBondContact O-CA 3.25Å; S360-F369 PolarHBondContact N-O 2.91Å; S360-F369 PolarHBondContact O-N 2.89Å
361L93.5Very high89.2Confident46 Ų4680.8 Ų80.824%0.24140%0.4CS..EExtended strand (participates in β ladder)trans-113.4151.3176.9-73.9170.9000110.9W346 F355 N365 T367 M368W346-L361 HydrophobicContact CG-CD2 4.3Å; F355-L361 HydrophobicContact CE1-CD1 3.36Å; F355-L361 HydrophobicContact CE1-CG 3.82Å; F355-L361 HydrophobicContact CZ-CD1 3.61Å; L361-N365 HydrophobicContact CD1-CB 4.38Å; L361-T367 CarbonylContact C-O 3.56Å; L361-T367 WeakPolarHBondContact CA-O 3.19Å; L361-M368 HydrophobicContact CD2-CB 3.89Å; L361-M368 HydrophobicContact CD2-CG 4.29Å
362S94.9Very high89.3Confident25 Ų2574.6 Ų74.618%0.17539%0.385CS..  trans-64.1161.5162.859.50000111D364 N365 R366 T367S362-D364 WeakPolarHBondContact CB-OD1 3.41Å; S362-D364 PolarHBondContact O-N 3.31Å; S362-D364 PolarHBondContact OG-OD1 2.84Å; S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 PolarHBondContact O-N 2.9Å; S362-N365 PolarHBondContact O-OD1 2.89Å; S362-R366 PolarHBondContact OG-N 2.92Å; S362-R366 VanDerWaalsContact OG-N 3.09Å; S362-T367 PolarHBondContact N-O 2.88Å; S362-T367 PolarHBondContact OG-N 3.31Å; S362-T367 PolarHBondContact OG-O 2.81Å
363M91.8Very high89.5Confident205 Ų20569.2 Ų69.2100%1.0135%0.35SS*.THydrogen-bonded Turntrans-58.5-30.7-178.1-69.5-168.6-76.100114N365M363-N365 VanDerWaalsContact C-N 3.34Å
364D90.9Very high89.8Confident98 Ų9871 Ų7152%0.52436%0.36SS..THydrogen-bonded Turntrans-92.88.8177.665-10.1000113.1S362 R366S362-D364 WeakPolarHBondContact CB-OD1 3.41Å; S362-D364 PolarHBondContact O-N 3.31Å; S362-D364 PolarHBondContact OG-OD1 2.84Å; D364-R366 PolarHBondContact O-N 2.95Å; D364-R366 WeakPolarHBondContact OD1-CB 3.32Å; D364-R366 PolarHBondContact OD1-N 3.24Å; D364-R366 WeakPolarHBondContact OD2-CB 3.45Å
365N94.3Very high90.2Very high67 Ų6766.6 Ų66.636%0.35834%0.339SS..SBendtrans53.512.2-171.6-62.6-15.9000114.4R344 W346 L361 S362 M363 T367R344-N365 HydrophobicContact CB-CB 4.43Å; R344-N365 WeakPolarHBondContact CD-O 3.22Å; W346-N365 PolarHBondContact NE1-O 3.12Å; L361-N365 HydrophobicContact CD1-CB 4.38Å; S362-N365 WeakPolarHBondContact O-CA 3.45Å; S362-N365 PolarHBondContact O-N 2.9Å; S362-N365 PolarHBondContact O-OD1 2.89Å; M363-N365 VanDerWaalsContact C-N 3.34Å; N365-T367 PolarHBondContact O-N 2.81Å
366R95.6Very high90.9Very high108 Ų10864.3 Ų64.341%0.40834%0.339SS..  trans-67.6-36.2-177-174.9-179.4172.1171.4-2.7112.5T334 C335 E336 S362 D364T334-R366 HydrophobicContact CG2-CG 4.15Å; C335-R366 PolarHBondContact N-O 2.87Å; C335-R366 WeakPolarHBondContact O-CG 3.33Å; E336-R366 IonicContact OE1-NH2 3.71Å; E336-R366 PolarHBondContact OE1-NH2 3.47Å; S362-R366 PolarHBondContact OG-N 2.92Å; S362-R366 VanDerWaalsContact OG-N 3.09Å; D364-R366 PolarHBondContact O-N 2.95Å; D364-R366 WeakPolarHBondContact OD1-CB 3.32Å; D364-R366 PolarHBondContact OD1-N 3.24Å; D364-R366 WeakPolarHBondContact OD2-CB 3.45Å
367T95.8Very high91.8Very high20 Ų2063 Ų6312%0.12332%0.323CS..EExtended strand (participates in β ladder)trans-124127.3-176.5-56.90000110.6L333 T334 L361 S362 N365 F369L333-T367 CarbonylContact O-C 3.2Å; L333-T367 WeakPolarHBondContact O-CA 3.38Å; T334-T367 WeakPolarHBondContact OG1-CG2 3.32Å; T334-T367 PolarHBondContact OG1-OG1 3.38Å; T334-T367 VanDerWaalsContact OG1-OG1 3.1Å; L361-T367 CarbonylContact C-O 3.56Å; L361-T367 WeakPolarHBondContact CA-O 3.19Å; S362-T367 PolarHBondContact N-O 2.88Å; S362-T367 PolarHBondContact OG-N 3.31Å; S362-T367 PolarHBondContact OG-O 2.81Å; N365-T367 PolarHBondContact O-N 2.81Å; T367-F369 HydrophobicContact CG2-CD1 4.21Å; T367-F369 HydrophobicContact CG2-CD2 4.49Å; T367-F369 HydrophobicContact CG2-CE1 3.72Å; T367-F369 HydrophobicContact CG2-CE2 4.04Å; T367-F369 HydrophobicContact CG2-CZ 3.63Å
368M95Very high92.7Very high0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans-92.7128.3167.4-175.3-162.2-53.700109.3S332 L333 W346 L353 I359 S360 L361 I370 Y381S332-M368 CarbonylContact C-O 3.59Å; S332-M368 WeakPolarHBondContact CA-O 3.31Å; S332-M368 WeakPolarHBondContact CB-O 3.35Å; L333-M368 HydrophobicContact CB-CB 4.42Å; L333-M368 HydrophobicContact CD1-SD 4.48Å; L333-M368 PolarHBondContact N-O 3.28Å; L333-M368 PolarHBondContact O-N 2.99Å; W346-M368 HydrophobicContact CB-CE 3.91Å; W346-M368 HydrophobicContact CD2-CE 3.63Å; W346-M368 HydrophobicContact CE3-CE 3.48Å; W346-M368 VanDerWaalsContact CE3-CE 3.48Å; W346-M368 HydrophobicContact CG-CE 3.85Å; W346-M368 HydrophobicContact CZ2-CB 4.37Å; W346-M368 HydrophobicContact CZ3-CE 4.13Å; L353-M368 HydrophobicContact CD1-CE 3.69Å; L353-M368 HydrophobicContact CD1-SD 4.2Å; L353-M368 HydrophobicContact CD2-CE 3.32Å; L353-M368 HydrophobicContact CD2-CG 4.27Å; L353-M368 HydrophobicContact CD2-SD 3.85Å; L353-M368 HydrophobicContact CG-CE 4.13Å; I359-M368 HydrophobicContact CG2-CG 3.74Å; I359-M368 HydrophobicContact CG2-SD 3.99Å; S360-M368 CarbonylContact O-C 3.51Å; S360-M368 WeakPolarHBondContact O-CA 3.25Å; L361-M368 HydrophobicContact CD2-CB 3.89Å; L361-M368 HydrophobicContact CD2-CG 4.29Å; M368-I370 HydrophobicContact SD-CD1 4.25Å; M368-I370 HydrophobicContact SD-CG1 4.22Å; M368-Y381 HydrophobicContact CE-CD1 3.69Å; M368-Y381 HydrophobicContact CE-CE1 3.79Å; M368-Y381 HydrophobicContact SD-CD1 4.1Å; M368-Y381 HydrophobicContact SD-CE1 3.65Å
369F94.7Very high93.2Very high55 Ų5555.1 Ų55.124%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-104.6135.5174.2-58-80.5000110.1I359 S360 T367I359-F369 WeakPolarHBondContact CA-O 3.1Å; S360-F369 PolarHBondContact N-O 2.91Å; S360-F369 PolarHBondContact O-N 2.89Å; T367-F369 HydrophobicContact CG2-CD1 4.21Å; T367-F369 HydrophobicContact CG2-CD2 4.49Å; T367-F369 HydrophobicContact CG2-CE1 3.72Å; T367-F369 HydrophobicContact CG2-CE2 4.04Å; T367-F369 HydrophobicContact CG2-CZ 3.63Å
370I94.4Very high93.3Very high0 Ų058 Ų580%030%0.303CS..EExtended strand (participates in β ladder)trans-121.1108.3178.3-53177.8000108.4S330 T331 S358 I359 M368 V373 N377 L398S330-I370 WeakPolarHBondContact CA-O 3.14Å; T331-I370 HydrophobicContact CG2-CB 4.07Å; T331-I370 HydrophobicContact CG2-CD1 4.1Å; T331-I370 HydrophobicContact CG2-CG1 4.4Å; T331-I370 PolarHBondContact N-O 2.91Å; T331-I370 PolarHBondContact O-N 2.97Å; S358-I370 CarbonylContact O-C 3.55Å; S358-I370 VanDerWaalsContact O-CA 3.27Å; S358-I370 WeakPolarHBondContact O-CA 3.45Å; I359-I370 HydrophobicContact CG1-CG1 4.48Å; M368-I370 HydrophobicContact SD-CD1 4.25Å; M368-I370 HydrophobicContact SD-CG1 4.22Å; I370-V373 HydrophobicContact CB-CG2 4.41Å; I370-V373 HydrophobicContact CG2-CB 4.49Å; I370-V373 HydrophobicContact CG2-CG2 3.95Å; I370-N377 HydrophobicContact CD1-CB 4.48Å; I370-N377 HydrophobicContact CG2-CB 4.19Å; I370-N377 WeakPolarHBondContact CG2-OD1 3.39Å; I370-L398 HydrophobicContact CD1-CD2 3.72Å
371R92.9Very high93.5Very high158 Ų15855.1 Ų55.160%0.59628%0.282SS*.SBendtrans-146.8115.5-173.1-56.6-170.2-179.5165.90.7112.1S358S358-R371 WeakPolarHBondContact CA-O 3.48Å; S358-R371 PolarHBondContact O-N 2.82Å
372P93.5Very high93.6Very high61 Ų6155.8 Ų55.840%0.39628%0.284SS..SBendcis-69.9164.1-16.732.9-35.3000111.4S358 L374S358-P372 VanDerWaalsContact CB-O 3.26Å; S358-P372 WeakPolarHBondContact CB-O 3.37Å; P372-L374 HydrophobicContact CG-CD2 4.33Å
373V92.9Very high93.7Very high0 Ų054.6 Ų54.60%028%0.276CS..  trans-70.8128.5170172.60000110L324 E326 N327 S329 T331 I370 V400L324-V373 HydrophobicContact CB-CG1 4.38Å; E326-V373 WeakPolarHBondContact CA-O 3.46Å; N327-V373 PolarHBondContact N-O 2.87Å; S329-V373 WeakPolarHBondContact O-CB 3.4Å; S329-V373 PolarHBondContact O-N 2.91Å; T331-V373 HydrophobicContact CG2-CG2 3.92Å; I370-V373 HydrophobicContact CB-CG2 4.41Å; I370-V373 HydrophobicContact CG2-CB 4.49Å; I370-V373 HydrophobicContact CG2-CG2 3.95Å; V373-V400 HydrophobicContact CG1-CB 4.04Å; V373-V400 HydrophobicContact CG1-CG1 3.4Å; V373-V400 HydrophobicContact CG1-CG2 3.43Å; V373-V400 VanDerWaalsContact CG1-CG2 3.43Å
374L92.9Very high93.9Very high51 Ų5148.4 Ų48.427%0.26724%0.241SC..  trans-114.3156.9177.7-59.1177000111N327 P372 S376 N377N327-L374 WeakPolarHBondContact OD1-CD2 3.14Å; P372-L374 HydrophobicContact CG-CD2 4.33Å; L374-S376 PolarHBondContact O-N 2.86Å; L374-N377 PolarHBondContact N-OD1 3.16Å; L374-N377 VanDerWaalsContact O-CB 3.31Å; L374-N377 WeakPolarHBondContact O-CB 3.22Å; L374-N377 PolarHBondContact O-N 2.87Å
375S91.4Very high94.2Very high43 Ų4343.7 Ų43.730%0.30122%0.216SC..G310 helixtrans-56-31.9173.447.60000113.2E326 N377 H378 Y402E326-S375 WeakPolarHBondContact OE1-CB 3.31Å; E326-S375 PolarHBondContact OE1-N 2.92Å; E326-S375 PolarHBondContact OE1-OG 3.07Å; S375-N377 PolarHBondContact O-N 2.78Å; S375-H378 VanDerWaalsContact O-CB 3.24Å; S375-H378 WeakPolarHBondContact O-CB 3.34Å; S375-H378 PolarHBondContact O-N 3.11Å; S375-H378 VanDerWaalsContact O-N 3.1Å; S375-Y402 VanDerWaalsContact CB-CD1 3.5Å
376S90.8Very high94.3Very high77 Ų7741.5 Ų41.554%0.53821%0.206SC..G310 helixtrans-65.5-18.4174.560.10000114.2K348 L374 H378K348-S376 WeakPolarHBondContact CE-O 3.43Å; K348-S376 PolarHBondContact NZ-O 2.98Å; K348-S376 VanDerWaalsContact NZ-O 3.13Å; L374-S376 PolarHBondContact O-N 2.86Å; S376-H378 VanDerWaalsContact C-N 3.29Å
377N91.5Very high94.1Very high5 Ų537.2 Ų37.23%0.02719%0.191CC..G310 helixtrans-80.3-7.8174.7-54.3135.6000112.7S358 I370 L374 S375 G379 Y381 V400S358-N377 PolarHBondContact OG-OD1 2.98Å; I370-N377 HydrophobicContact CD1-CB 4.48Å; I370-N377 HydrophobicContact CG2-CB 4.19Å; I370-N377 WeakPolarHBondContact CG2-OD1 3.39Å; L374-N377 PolarHBondContact N-OD1 3.16Å; L374-N377 VanDerWaalsContact O-CB 3.31Å; L374-N377 WeakPolarHBondContact O-CB 3.22Å; L374-N377 PolarHBondContact O-N 2.87Å; S375-N377 PolarHBondContact O-N 2.78Å; N377-G379 PolarHBondContact O-N 2.94Å; N377-Y381 WeakPolarHBondContact O-CE2 3.32Å; N377-Y381 PolarHBondContact O-OH 3.24Å; N377-Y381 VanDerWaalsContact O-OH 3.09Å; N377-V400 HydrophobicContact CB-CG2 4.32Å
378H92.4Very high93.8Very high52 Ų5241.3 Ų41.324%0.24122%0.218CC..  trans-62.3132.8169.5-173.5117000109.8K348 S375 S376 H397 V400 Y402K348-H378 WeakPolarHBondContact CE-O 3.46Å; K348-H378 PolarHBondContact NZ-O 2.87Å; S375-H378 VanDerWaalsContact O-CB 3.24Å; S375-H378 WeakPolarHBondContact O-CB 3.34Å; S375-H378 PolarHBondContact O-N 3.11Å; S375-H378 VanDerWaalsContact O-N 3.1Å; S376-H378 VanDerWaalsContact C-N 3.29Å; H378-H397 AromaticContact NE2-CE1 3.71Å; H378-H397 AromaticContact NE2-NE2 3.7Å; H378-V400 HydrophobicContact CB-CB 4.26Å; H378-V400 HydrophobicContact CB-CG2 4.46Å; H378-Y402 HydrophobicContact CB-CE1 4.32Å
379G92.8Very high93.6Very high5 Ų545.2 Ų45.25%0.05224%0.242CC..EExtended strand (participates in β ladder)trans153.5-172.4175.300000115.2N377 L398N377-G379 PolarHBondContact O-N 2.94Å; G379-L398 PolarHBondContact N-O 3.08Å; G379-L398 VanDerWaalsContact N-O 3.17Å; G379-L398 PolarHBondContact O-N 2.87Å
380N95.5Very high93.6Very high81 Ų8143.7 Ų43.743%0.43324%0.238SC..EExtended strand (participates in β ladder)trans-93.8116.1179.3-70.5-35.2000110.7K348 D349 H397K348-N380 WeakPolarHBondContact CA-O 3.42Å; D349-N380 PolarHBondContact N-O 2.93Å; D349-N380 PolarHBondContact OD1-N 2.79Å; N380-H397 WeakPolarHBondContact OD1-CB 3.41Å; N380-H397 PolarHBondContact OD1-ND1 3.05Å
381Y95.4Very high93.7Very high0 Ų046.9 Ų46.90%026%0.261CS..EExtended strand (participates in β ladder)trans-96.1139.2175.7-72.8-97.1000110.3L333 M347 K348 L353 M368 N377 A395 L396 L398L333-Y381 HydrophobicContact CD1-CD1 3.7Å; L333-Y381 HydrophobicContact CD1-CD2 3.96Å; L333-Y381 HydrophobicContact CD1-CE1 4.13Å; L333-Y381 HydrophobicContact CD1-CE2 4.39Å; L333-Y381 HydrophobicContact CD1-CG 3.59Å; M347-Y381 WeakPolarHBondContact O-CA 3.22Å; K348-Y381 HydrophobicContact CB-CD1 4.45Å; K348-Y381 HydrophobicContact CB-CE1 4.3Å; K348-Y381 HydrophobicContact CD-CE1 4.16Å; K348-Y381 HydrophobicContact CD-CE2 4.34Å; K348-Y381 HydrophobicContact CG-CE1 4.3Å; K348-Y381 HydrophobicContact CG-CE2 4.45Å; L353-Y381 HydrophobicContact CD1-CD1 4.33Å; L353-Y381 HydrophobicContact CD1-CE1 3.87Å; M368-Y381 HydrophobicContact CE-CD1 3.69Å; M368-Y381 HydrophobicContact CE-CE1 3.79Å; M368-Y381 HydrophobicContact SD-CD1 4.1Å; M368-Y381 HydrophobicContact SD-CE1 3.65Å; N377-Y381 WeakPolarHBondContact O-CE2 3.32Å; N377-Y381 PolarHBondContact O-OH 3.24Å; N377-Y381 VanDerWaalsContact O-OH 3.09Å; Y381-A395 CarbonylContact O-C 3.49Å; Y381-A395 VanDerWaalsContact O-CA 3.28Å; Y381-A395 WeakPolarHBondContact O-CA 3.44Å; Y381-L396 PolarHBondContact N-O 3.22Å; Y381-L396 PolarHBondContact O-N 2.9Å; Y381-L398 HydrophobicContact CD2-CB 3.7Å; Y381-L398 HydrophobicContact CD2-CD2 4.36Å; Y381-L398 HydrophobicContact CE2-CB 3.67Å; Y381-L398 HydrophobicContact CE2-CD2 3.71Å; Y381-L398 HydrophobicContact CE2-CG 4.33Å
382Q96.6Very high93.9Very high60 Ų6042.4 Ų42.428%0.2825%0.246SC..EExtended strand (participates in β ladder)trans-128.4143.1174.8-65.7167.1-3.600109.2W346 M347 T393 A394 A395W346-Q382 WeakPolarHBondContact CA-O 3.34Å; M347-Q382 HydrophobicContact CB-CB 4.2Å; M347-Q382 HydrophobicContact CE-CB 3.99Å; M347-Q382 PolarHBondContact N-O 2.03Å; M347-Q382 PolarHBondContact O-N 3.06Å; Q382-T393 HydrophobicContact CB-CG2 4.22Å; Q382-A394 CarbonylContact C-O 3.59Å; Q382-A394 VanDerWaalsContact CA-O 3.23Å; Q382-A394 WeakPolarHBondContact CA-O 3.38Å; Q382-A395 HydrophobicContact CG-CB 4.17Å
383C96.4Very high94Very high0 Ų043.2 Ų43.20%025%0.25CS..EExtended strand (participates in β ladder)trans-128.7115.1174.5167.80000108.5I317 C335 E345 W346 T393 A394I317-C383 HydrophobicContact CD1-CB 3.88Å; I317-C383 HydrophobicContact CG1-CB 3.9Å; C335-C383 HydrophobicContact CB-CB 3.64Å; C335-C383 WeakPolarHBondContact CB-SG 3.36Å; C335-C383 WeakPolarHBondContact SG-CB 3.45Å; C335-C383 CovalentContact SG-SG 2.01Å; C335-C383 PolarHBondContact SG-SG 2.96Å; E345-C383 CarbonylContact O-C 3.48Å; E345-C383 WeakPolarHBondContact O-CA 3.3Å; W346-C383 HydrophobicContact CD2-CB 4.19Å; W346-C383 HydrophobicContact CE3-CB 3.9Å; W346-C383 HydrophobicContact CH2-CB 4.29Å; W346-C383 HydrophobicContact CZ3-CB 3.96Å; C383-T393 CarbonylContact O-C 3.56Å; C383-T393 WeakPolarHBondContact O-CA 3.14Å; C383-A394 PolarHBondContact N-O 2.8Å; C383-A394 PolarHBondContact O-N 3.17Å
384R96.1Very high94.2Very high75 Ų7543.4 Ų43.428%0.28325%0.252SS..EExtended strand (participates in β ladder)trans-97.1122.5174.5-168171.695.1-106-6.5109.3R344 E345 M347 Q392R344-R384 WeakPolarHBondContact CA-O 3.32Å; E345-R384 PolarHBondContact N-O 3.21Å; E345-R384 PolarHBondContact O-N 3.18Å; E345-R384 IonicContact OE1-CZ 3.69Å; E345-R384 IonicContact OE1-NH2 2.98Å; E345-R384 PolarHBondContact OE1-NH2 3.03Å; E345-R384 IonicContact OE2-CZ 3.54Å; E345-R384 IonicContact OE2-NH1 2.95Å; E345-R384 PolarHBondContact OE2-NH1 3Å; E345-R384 IonicContact OE2-NH2 3.08Å; E345-R384 PolarHBondContact OE2-NH2 3.18Å; M347-R384 HydrophobicContact CE-CB 4.25Å; R384-Q392 WeakPolarHBondContact CA-O 3.33Å
385V97.2Very high94.4Very high0 Ų044.6 Ų44.60%027%0.269CS..EExtended strand (participates in β ladder)trans-110.4135.1172.1-76.20000109.6I312 A315 A337 V341 T343 R344 S391 Q392I312-V385 HydrophobicContact CD1-CB 4.44Å; I312-V385 HydrophobicContact CG2-CB 4.49Å; I312-V385 HydrophobicContact CG2-CG2 3.72Å; A315-V385 HydrophobicContact CB-CG2 3.89Å; A337-V385 HydrophobicContact CB-CG2 3.93Å; V341-V385 HydrophobicContact CG1-CB 3.97Å; V341-V385 HydrophobicContact CG1-CG1 3.83Å; V341-V385 HydrophobicContact CG2-CB 4.37Å; V341-V385 HydrophobicContact CG2-CG1 4.49Å; T343-V385 WeakPolarHBondContact O-CA 3.45Å; R344-V385 HydrophobicContact CB-CG1 4.37Å; R344-V385 HydrophobicContact CG-CG1 4Å; V385-S391 CarbonylContact O-C 3.53Å; V385-S391 WeakPolarHBondContact O-CA 3.33Å; V385-Q392 HydrophobicContact CG2-CB 4.09Å; V385-Q392 WeakPolarHBondContact CG2-O 3.37Å; V385-Q392 PolarHBondContact N-O 2.78Å; V385-Q392 PolarHBondContact O-N 2.93Å
386S95.6Very high94.6Very high21 Ų2144.5 Ų44.515%0.14727%0.265CS..EExtended strand (participates in β ladder)trans-146.5158.5179.553.70000114.4I312 I342 T343 S390I312-S386 VanDerWaalsContact CD1-C 3.41Å; I312-S386 VanDerWaalsContact CD1-CA 3.45Å; I342-S386 PolarHBondContact N-O 2.85Å; T343-S386 PolarHBondContact N-O 2.92Å; T343-S386 PolarHBondContact O-N 3.17Å; T343-S386 PolarHBondContact OG1-OG 2.62Å; S386-S390 WeakPolarHBondContact CA-O 3.44Å
387N92.6Very high94.8Very high18 Ų1845.3 Ų45.310%0.09626%0.26CS..EExtended strand (participates in β ladder)trans-140.1177.6167.97114.4000108.7V309 E310 I312 S340 I342 V389 S390V309-N387 HydrophobicContact CG1-CB 4.32Å; E310-N387 PolarHBondContact O-ND2 2.94Å; I312-N387 HydrophobicContact CD1-CB 4.05Å; S340-N387 WeakPolarHBondContact O-CB 3.46Å; S340-N387 PolarHBondContact O-ND2 3.08Å; I342-N387 HydrophobicContact CB-CB 4.48Å; I342-N387 HydrophobicContact CD1-CB 4.28Å; I342-N387 HydrophobicContact CG1-CB 3.96Å; N387-V389 PolarHBondContact O-N 2.93Å; N387-V389 WeakPolarHBondContact OD1-CG2 3.47Å; N387-V389 PolarHBondContact OD1-N 2.65Å; N387-V389 VanDerWaalsContact OD1-N 3.12Å; N387-S390 PolarHBondContact N-O 2.75Å; N387-S390 PolarHBondContact O-N 2.86Å; N387-S390 VanDerWaalsContact O-O 3.08Å; N387-S390 PolarHBondContact OD1-N 2.83Å; N387-S390 PolarHBondContact OD1-O 2.89Å; N387-S390 PolarHBondContact OD1-OG 2.9Å
388P89.8Confident94.9Very high105 Ų10545.4 Ų45.468%0.68226%0.26SS*.THydrogen-bonded Turntrans-61.5-17.3-174.5-26.736.3000115.1I342I342-P388 HydrophobicContact CD1-CG 4.21Å
389V90.3Very high94.9Very high83 Ų8346 Ų4650%0.50327%0.268SS..THydrogen-bonded Turntrans-114.2-14.6-173.6-63.30000113.9V309 L311 N387V309-V389 HydrophobicContact CB-CG2 4.08Å; V309-V389 HydrophobicContact CG1-CG2 4.07Å; L311-V389 HydrophobicContact CD2-CB 4.34Å; L311-V389 HydrophobicContact CD2-CG2 3.99Å; N387-V389 PolarHBondContact O-N 2.93Å; N387-V389 WeakPolarHBondContact OD1-CG2 3.47Å; N387-V389 PolarHBondContact OD1-N 2.65Å; N387-V389 VanDerWaalsContact OD1-N 3.12Å
390S94.2Very high95Very high23 Ų2345.8 Ų45.816%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-157.6153.4-174.164.80000113.1I312 S386 N387I312-S390 PolarHBondContact N-OG 2.68Å; S386-S390 WeakPolarHBondContact CA-O 3.44Å; N387-S390 PolarHBondContact N-O 2.75Å; N387-S390 PolarHBondContact O-N 2.86Å; N387-S390 VanDerWaalsContact O-O 3.08Å; N387-S390 PolarHBondContact OD1-N 2.83Å; N387-S390 PolarHBondContact OD1-O 2.89Å; N387-S390 PolarHBondContact OD1-OG 2.9Å
391S96.4Very high94.9Very high67 Ų6742.7 Ų42.747%0.46925%0.249SC..EExtended strand (participates in β ladder)trans-144135.5176.2179.90000109.5V385V385-S391 CarbonylContact O-C 3.53Å; V385-S391 WeakPolarHBondContact O-CA 3.33Å
392Q97.3Very high94.9Very high64 Ų6444.7 Ų44.730%0.29926%0.257SS..EExtended strand (participates in β ladder)trans-131.6147.5174-66.2-152.2-4.800110.9I312 A315 R384 V385I312-Q392 HydrophobicContact CG2-CB 4.24Å; I312-Q392 HydrophobicContact CG2-CG 4.12Å; I312-Q392 PolarHBondContact O-NE2 2.81Å; A315-Q392 HydrophobicContact CB-CB 3.56Å; R384-Q392 WeakPolarHBondContact CA-O 3.33Å; V385-Q392 HydrophobicContact CG2-CB 4.09Å; V385-Q392 WeakPolarHBondContact CG2-O 3.37Å; V385-Q392 PolarHBondContact N-O 2.78Å; V385-Q392 PolarHBondContact O-N 2.93Å
393T96.6Very high94.7Very high77 Ų7741.8 Ų41.847%0.47224%0.243SC..EExtended strand (participates in β ladder)trans-123.5122.9177.4-55.90000109.6Q382 C383Q382-T393 HydrophobicContact CB-CG2 4.22Å; C383-T393 CarbonylContact O-C 3.56Å; C383-T393 WeakPolarHBondContact O-CA 3.14Å
394A96.9Very high94.5Very high5 Ų542.4 Ų42.44%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-96.7147.817000000110A315 I317 Q382 C383A315-A394 HydrophobicContact CB-CB 4.2Å; I317-A394 HydrophobicContact CD1-CB 4.18Å; I317-A394 WeakPolarHBondContact CD1-O 3.46Å; I317-A394 HydrophobicContact CG1-CB 3.81Å; Q382-A394 CarbonylContact C-O 3.59Å; Q382-A394 VanDerWaalsContact CA-O 3.23Å; Q382-A394 WeakPolarHBondContact CA-O 3.38Å; C383-A394 PolarHBondContact N-O 2.8Å; C383-A394 PolarHBondContact O-N 3.17Å
395A96.1Very high94.4Very high75 Ų7542.3 Ų42.362%0.6225%0.247SC*.EExtended strand (participates in β ladder)trans-131.4144.9177.400000111.3Y381 Q382Y381-A395 CarbonylContact O-C 3.49Å; Y381-A395 VanDerWaalsContact O-CA 3.28Å; Y381-A395 WeakPolarHBondContact O-CA 3.44Å; Q382-A395 HydrophobicContact CG-CB 4.17Å
396L95.6Very high94.2Very high41 Ų4148.7 Ų48.722%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-146.4132.1177.5176.375.4000109.9I317 L333 Y381I317-L396 HydrophobicContact CB-CB 3.99Å; I317-L396 HydrophobicContact CB-CD2 4.4Å; I317-L396 HydrophobicContact CD1-CB 4.12Å; I317-L396 HydrophobicContact CG2-CB 4.05Å; I317-L396 HydrophobicContact CG2-CD2 3.68Å; I317-L396 HydrophobicContact CG2-CG 4.49Å; L333-L396 HydrophobicContact CD2-CD2 3.75Å; Y381-L396 PolarHBondContact N-O 3.22Å; Y381-L396 PolarHBondContact O-N 2.9Å
397H95.1Very high94.1Very high95 Ų9551.3 Ų51.344%0.4429%0.293SS..EExtended strand (participates in β ladder)trans-87.1119.5169.1-174.771.6000110.3H378 N380H378-H397 AromaticContact NE2-CE1 3.71Å; H378-H397 AromaticContact NE2-NE2 3.7Å; N380-H397 WeakPolarHBondContact OD1-CB 3.41Å; N380-H397 PolarHBondContact OD1-ND1 3.05Å
398L93.6Very high94.2Very high7 Ų752.8 Ų52.84%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-97.4115.8177.7-172.867000110.3L324 L333 I370 G379 Y381L324-L398 HydrophobicContact CD1-CD1 3.57Å; L324-L398 HydrophobicContact CD1-CG 4.21Å; L333-L398 HydrophobicContact CD1-CD2 4.46Å; L333-L398 HydrophobicContact CD2-CD1 4.14Å; I370-L398 HydrophobicContact CD1-CD2 3.72Å; G379-L398 PolarHBondContact N-O 3.08Å; G379-L398 VanDerWaalsContact N-O 3.17Å; G379-L398 PolarHBondContact O-N 2.87Å; Y381-L398 HydrophobicContact CD2-CB 3.7Å; Y381-L398 HydrophobicContact CD2-CD2 4.36Å; Y381-L398 HydrophobicContact CE2-CB 3.67Å; Y381-L398 HydrophobicContact CE2-CD2 3.71Å; Y381-L398 HydrophobicContact CE2-CG 4.33Å
399T93.7Very high94.4Very high64 Ų6450.8 Ų50.839%0.39329%0.29SS..PPolyproline II helixtrans-95.3116.6175.5-53.30000110.8V430T399-V430 HydrophobicContact CG2-CG1 4.05Å
400V93.8Very high94.6Very high0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-103.8129.9168.9179.90000109E326 V373 N377 H378 Y402 V430E326-V400 HydrophobicContact CB-CG1 4.4Å; V373-V400 HydrophobicContact CG1-CB 4.04Å; V373-V400 HydrophobicContact CG1-CG1 3.4Å; V373-V400 HydrophobicContact CG1-CG2 3.43Å; V373-V400 VanDerWaalsContact CG1-CG2 3.43Å; N377-V400 HydrophobicContact CB-CG2 4.32Å; H378-V400 HydrophobicContact CB-CB 4.26Å; H378-V400 HydrophobicContact CB-CG2 4.46Å; V400-Y402 HydrophobicContact CG1-CD1 4.36Å; V400-Y402 VanDerWaalsContact O-CD1 3.25Å; V400-Y402 WeakPolarHBondContact O-CD1 3.24Å; V400-V430 WeakPolarHBondContact O-CG1 3.4Å
401N94.4Very high94.5Very high17 Ų1752.1 Ų52.19%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-91.4126.7176.7-54.9-80.9000110.3V323 L324 I325 E326 V430 P431 V472 T473V323-N401 VanDerWaalsContact CG1-ND2 3.34Å; V323-N401 WeakPolarHBondContact CG1-ND2 3.44Å; L324-N401 VanDerWaalsContact O-CB 3.31Å; L324-N401 WeakPolarHBondContact O-CB 3.32Å; L324-N401 PolarHBondContact O-N 2.85Å; L324-N401 PolarHBondContact O-ND2 2.86Å; I325-N401 WeakPolarHBondContact CA-O 3.29Å; E326-N401 PolarHBondContact N-O 3.26Å; N401-V430 CarbonylContact C-O 3.57Å; N401-V430 WeakPolarHBondContact CA-O 3.46Å; N401-V430 WeakPolarHBondContact CB-O 3.34Å; N401-P431 VanDerWaalsContact OD1-CD 3.28Å; N401-P431 WeakPolarHBondContact OD1-CD 3.38Å; N401-V472 HydrophobicContact CB-CB 4.31Å; N401-V472 HydrophobicContact CB-CG1 3.8Å; N401-T473 HydrophobicContact CB-CG2 4.23Å
402Y94.1Very high94.2Very high41 Ų4152.1 Ų52.116%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-152.9168.6-175.660.9-95.7000111.2E326 S375 H378 V400 Y405 V428 S429 V430 N470E326-Y402 WeakPolarHBondContact OE2-CB 2.97Å; S375-Y402 VanDerWaalsContact CB-CD1 3.5Å; H378-Y402 HydrophobicContact CB-CE1 4.32Å; V400-Y402 HydrophobicContact CG1-CD1 4.36Å; V400-Y402 VanDerWaalsContact O-CD1 3.25Å; V400-Y402 WeakPolarHBondContact O-CD1 3.24Å; Y402-Y405 HydrophobicContact CD2-CD2 4.34Å; Y402-Y405 HydrophobicContact CD2-CE2 4.16Å; Y402-V428 HydrophobicContact CE2-CG1 3.86Å; Y402-S429 WeakPolarHBondContact O-CA 2.94Å; Y402-S429 PolarHBondContact O-OG 3.04Å; Y402-V430 HydrophobicContact CD1-CB 4.05Å; Y402-V430 HydrophobicContact CD1-CG2 4.31Å; Y402-V430 HydrophobicContact CE1-CB 3.74Å; Y402-V430 HydrophobicContact CE1-CG2 3.52Å; Y402-V430 HydrophobicContact CE2-CG2 4.14Å; Y402-V430 VanDerWaalsContact CZ-CG2 3.42Å; Y402-V430 PolarHBondContact N-O 2.96Å; Y402-V430 PolarHBondContact O-N 3.41Å; Y402-V430 WeakPolarHBondContact OH-CG2 3.48Å; Y402-N470 PolarHBondContact O-ND2 3.08Å
403G92.6Very high93.8Very high0 Ų055.5 Ų55.50%033%0.331CS..EExtended strand (participates in β ladder)trans78.7-173-177.400000113.7Y405 V428 T473G403-Y405 VanDerWaalsContact N-CZ 3.33Å; G403-V428 WeakPolarHBondContact CA-O 3.24Å; G403-T473 PolarHBondContact O-OG1 3.36Å
404P93.7Very high93.4Very high13 Ų1355.9 Ų55.98%0.08434%0.341CS..EExtended strand (participates in β ladder)cis-76.1134.24.925.9-19.9000112.1A427 V428 A433 A468 N470 K475P404-A427 HydrophobicContact CB-CB 3.94Å; P404-V428 CarbonylContact C-O 3.33Å; P404-V428 WeakPolarHBondContact CA-O 3.41Å; P404-A433 HydrophobicContact CB-CB 3.98Å; P404-A433 HydrophobicContact CG-CB 4.43Å; P404-A468 HydrophobicContact CB-CB 3.98Å; P404-A468 HydrophobicContact CG-CB 4.17Å; P404-A468 VanDerWaalsContact CG-O 3.22Å; P404-A468 WeakPolarHBondContact CG-O 3.47Å; P404-N470 HydrophobicContact CG-CB 4.37Å; P404-K475 WeakPolarHBondContact CD-O 3.44Å
405Y92.8Very high93.1Very high73 Ų7357.6 Ų57.629%0.28636%0.356SS..EExtended strand (participates in β ladder)trans-119.8161.4175.5-53.4-45.8000110.7E326 Y402 G403 I407 V428E326-Y405 WeakPolarHBondContact OE2-CE2 3.43Å; E326-Y405 PolarHBondContact OE2-OH 3.47Å; Y402-Y405 HydrophobicContact CD2-CD2 4.34Å; Y402-Y405 HydrophobicContact CD2-CE2 4.16Å; G403-Y405 VanDerWaalsContact N-CZ 3.33Å; Y405-I407 VanDerWaalsContact C-N 3.31Å; Y405-I407 PolarHBondContact O-N 3.49Å; Y405-V428 PolarHBondContact N-O 3.32Å; Y405-V428 PolarHBondContact O-N 3.43Å
406N93.1Very high92.8Very high133 Ų13363.3 Ų63.371%0.71136%0.361SS*.EExtended strand (participates in β ladder)trans51.446.7175.6-60.3-10.8000113.4S408 V428N406-S408 PolarHBondContact O-N 3.06Å; N406-V428 HydrophobicContact CB-CG2 4.5Å
407I94.5Very high92.7Very high77 Ų7766.4 Ų66.440%0.39538%0.384SS..EExtended strand (participates in β ladder)trans-63.7122.2177.6-53.3169.8000108.2Y405 T426 A427 A468Y405-I407 VanDerWaalsContact C-N 3.31Å; Y405-I407 PolarHBondContact O-N 3.49Å; I407-T426 WeakPolarHBondContact CA-O 3.33Å; I407-A427 HydrophobicContact CG1-CB 4.04Å; I407-A468 HydrophobicContact CD1-CB 3.82Å; I407-A468 HydrophobicContact CG1-CB 3.92Å; I407-A468 HydrophobicContact CG2-CB 4.26Å
408S93.8Very high92.4Very high49 Ų4963.8 Ų63.834%0.34338%0.382SS..EExtended strand (participates in β ladder)trans-142.1143.9-178.9640000111.3N406 C425 T426N406-S408 PolarHBondContact O-N 3.06Å; S408-C425 CarbonylContact O-C 3.55Å; S408-C425 WeakPolarHBondContact O-CA 3.23Å; S408-T426 PolarHBondContact N-O 2.85Å; S408-T426 PolarHBondContact O-N 2.87Å; S408-T426 PolarHBondContact OG-OG1 2.92Å
409V94.8Very high92.3Very high62 Ų6268.5 Ų68.538%0.37640%0.404SS..EExtended strand (participates in β ladder)trans-101.4121.4172.5175.60000108.4L423 L424 W437 C466V409-L423 HydrophobicContact CG1-CB 4.04Å; V409-L424 CarbonylContact C-O 3.59Å; V409-L424 WeakPolarHBondContact CA-O 3.32Å; V409-W437 HydrophobicContact CB-CH2 4.41Å; V409-W437 HydrophobicContact CG1-CH2 3.74Å; V409-W437 HydrophobicContact CG1-CZ3 3.93Å; V409-W437 HydrophobicContact CG2-CH2 3.85Å; V409-W437 HydrophobicContact CG2-CZ3 3.84Å; V409-C466 HydrophobicContact CG2-CB 3.6Å
410I94.2Very high92.3Very high94 Ų9473 Ų7348%0.48241%0.414SS..EExtended strand (participates in β ladder)trans-109.7121.7179.8-55.4174.2000107.7L424 T426I410-L424 HydrophobicContact CB-CB 4.41Å; I410-L424 PolarHBondContact N-O 3.46Å; I410-L424 PolarHBondContact O-N 3.43Å; I410-T426 HydrophobicContact CD1-CG2 3.84Å
411G91.4Very high92.3Very high41 Ų4173.6 Ų73.642%0.42342%0.417SS..SBendtrans174.7171.9178.600000111.2S413G411-S413 PolarHBondContact O-N 2.76Å
412P90.7Very high92.4Very high66 Ų6675.5 Ų75.543%0.42943%0.43SS..  trans-68.3131.1178.629-33.7000110.4A414 V421P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 2.73Å; P412-V421 HydrophobicContact CG-CG1 3.8Å
413S88.6Confident92.4Very high136 Ų13674.2 Ų74.295%0.95143%0.425SS*.SBendtrans-74.6-16.1174.955.10000113.2G411G411-S413 PolarHBondContact O-N 2.76Å
414A89.2Confident92.6Very high84 Ų8477.2 Ų77.269%0.69444%0.441SS*.  trans-150147.7173.900000110.4P412P412-A414 VanDerWaalsContact C-N 3.25Å; P412-A414 PolarHBondContact O-N 2.73Å
415A90.4Very high92.6Very high41 Ų4176.7 Ų76.734%0.33944%0.438SS..  trans-150.7159.7173.500000110.3V421 L456A415-V421 HydrophobicContact CB-CG2 3.57Å; A415-L456 HydrophobicContact CB-CD2 3.94Å; A415-L456 VanDerWaalsContact O-CD2 3.28Å; A415-L456 WeakPolarHBondContact O-CD2 3.36Å
416W89.9Confident92.7Very high196 Ų19675.6 Ų75.674%0.74244%0.439SS*.  trans-70.6146.3179.6-66.2105.8000111.6G418 H419W416-G418 PolarHBondContact O-N 3.04Å; W416-H419 WeakPolarHBondContact O-CB 3.22Å; W416-H419 PolarHBondContact O-N 2.88Å; W416-H419 PolarHBondContact O-ND1 2.95Å
417P92Very high92.8Very high105 Ų10570.5 Ų70.568%0.68242%0.415SS*.THydrogen-bonded Turntrans-51.5141173-25.634.3000111.7H419P417-H419 VanDerWaalsContact C-N 3.3Å; P417-H419 PolarHBondContact O-N 3.32Å
418G88.6Confident92.8Very high40 Ų4070.2 Ų70.241%0.41242%0.417SS..THydrogen-bonded Turntrans82.9-8.9179.900000116.1W416 L456W416-G418 PolarHBondContact O-N 3.04Å; G418-L456 PolarHBondContact N-O 2.89Å
419H92.8Very high92.8Very high107 Ų10768.7 Ų68.750%0.49541%0.406SS..  trans-81.4153.4177.2-72.859.7000112.1W416 P417 L456W416-H419 WeakPolarHBondContact O-CB 3.22Å; W416-H419 PolarHBondContact O-N 2.88Å; W416-H419 PolarHBondContact O-ND1 2.95Å; P417-H419 VanDerWaalsContact C-N 3.3Å; P417-H419 PolarHBondContact O-N 3.32Å; H419-L456 WeakPolarHBondContact O-CB 3Å; H419-L456 PolarHBondContact O-N 3.46Å
420R93.9Very high92.8Very high159 Ų15967.1 Ų67.160%0.640%0.397SS*.  trans-78.3127.1170.9-174.7176.4-165.7-160.76.3109.8V452 I453 E454R420-V452 HydrophobicContact CG-CG1 4.23Å; R420-I453 CarbonylContact C-O 3.56Å; R420-I453 VanDerWaalsContact CA-O 3.31Å; R420-I453 WeakPolarHBondContact CA-O 3.38Å; R420-E454 WeakPolarHBondContact CD-OE2 3.33Å; R420-E454 IonicContact CZ-OE1 2.94Å; R420-E454 IonicContact CZ-OE2 3.4Å; R420-E454 IonicContact NE-OE1 3.05Å; R420-E454 PolarHBondContact NE-OE1 3.41Å; R420-E454 IonicContact NE-OE2 3.63Å; R420-E454 PolarHBondContact NE-OE2 2.97Å; R420-E454 IonicContact NH2-OE1 2.8Å; R420-E454 PolarHBondContact NH2-OE1 3.02Å; R420-E454 IonicContact NH2-OE2 3.74Å
421V93.9Very high92.8Very high11 Ų1164.7 Ų64.77%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-118.6129.7178.3173.50000109.5P412 A415 L423 I453 L456P412-V421 HydrophobicContact CG-CG1 3.8Å; A415-V421 HydrophobicContact CB-CG2 3.57Å; V421-L423 HydrophobicContact CG1-CD2 4.14Å; V421-L423 HydrophobicContact CG1-CG 4.48Å; V421-I453 HydrophobicContact CB-CB 4.21Å; V421-I453 HydrophobicContact CB-CD1 4.27Å; V421-I453 HydrophobicContact CG1-CD1 4.3Å; V421-I453 PolarHBondContact N-O 2.83Å; V421-I453 PolarHBondContact O-N 2.82Å; V421-L456 HydrophobicContact CG2-CB 4.48Å; V421-L456 HydrophobicContact CG2-CD1 4.42Å; V421-L456 HydrophobicContact CG2-CD2 4.37Å
422T94.9Very high92.9Very high57 Ų5768.1 Ų68.135%0.3540%0.402SS..EExtended strand (participates in β ladder)trans-116.9124.8174.4-57.30000109.4M450 F451 V452T422-M450 HydrophobicContact CG2-CB 4.29Å; T422-M450 HydrophobicContact CG2-CG 4.39Å; T422-M450 HydrophobicContact CG2-SD 4.3Å; T422-F451 WeakPolarHBondContact CA-O 3.49Å; T422-V452 HydrophobicContact CG2-CG2 4.19Å
423L95.2Very high93Very high14 Ų1465.4 Ų65.47%0.07339%0.385CS..EExtended strand (participates in β ladder)trans-103.7127.9170.2-52.9177.9000108.4V409 V421 W437 M450 F451 Y464V409-L423 HydrophobicContact CG1-CB 4.04Å; V421-L423 HydrophobicContact CG1-CD2 4.14Å; V421-L423 HydrophobicContact CG1-CG 4.48Å; L423-W437 HydrophobicContact CB-CH2 3.64Å; L423-W437 HydrophobicContact CB-CZ2 4.45Å; L423-W437 HydrophobicContact CB-CZ3 4.07Å; L423-W437 HydrophobicContact CD1-CZ3 4.22Å; L423-M450 CarbonylContact O-C 3.51Å; L423-M450 WeakPolarHBondContact O-CA 3.44Å; L423-F451 HydrophobicContact CB-CB 4.32Å; L423-F451 PolarHBondContact N-O 3.21Å; L423-F451 PolarHBondContact O-N 2.83Å; L423-Y464 HydrophobicContact CD1-CD1 3.95Å; L423-Y464 HydrophobicContact CD1-CD2 3.89Å; L423-Y464 HydrophobicContact CD1-CG 3.55Å
424L95.9Very high93.3Very high64 Ų6463.6 Ų63.634%0.33537%0.365SS..EExtended strand (participates in β ladder)trans-107120.9178.7175.467.2000109.6V409 I410 T426 M450V409-L424 CarbonylContact C-O 3.59Å; V409-L424 WeakPolarHBondContact CA-O 3.32Å; I410-L424 HydrophobicContact CB-CB 4.41Å; I410-L424 PolarHBondContact N-O 3.46Å; I410-L424 PolarHBondContact O-N 3.43Å; L424-T426 HydrophobicContact CD2-CG2 3.92Å; L424-T426 HydrophobicContact CG-CG2 3.9Å; L424-M450 HydrophobicContact CD1-CG 3.88Å
425C95.1Very high93.6Very high2 Ų261.2 Ų61.21%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-91.9129.2170.2-170.30000110.6S408 F435 W437 S449 C466S408-C425 CarbonylContact O-C 3.55Å; S408-C425 WeakPolarHBondContact O-CA 3.23Å; C425-F435 HydrophobicContact CB-CD1 3.97Å; C425-F435 HydrophobicContact CB-CE1 4.25Å; C425-F435 WeakPolarHBondContact SG-CD1 3.21Å; C425-W437 HydrophobicContact CB-CH2 4.02Å; C425-W437 HydrophobicContact CB-CZ2 3.49Å; C425-W437 VanDerWaalsContact CB-CZ2 3.49Å; C425-S449 PolarHBondContact N-O 2.87Å; C425-C466 HydrophobicContact CB-CB 3.62Å; C425-C466 WeakPolarHBondContact CB-SG 3.32Å; C425-C466 WeakPolarHBondContact SG-CB 3.43Å; C425-C466 CovalentContact SG-SG 2.01Å; C425-C466 PolarHBondContact SG-SG 3.34Å
426T94.8Very high93.8Very high50 Ų5061.4 Ų61.431%0.30734%0.338SS..EExtended strand (participates in β ladder)trans-123.6144.5177.266.40000110.1I407 S408 I410 L424I407-T426 WeakPolarHBondContact CA-O 3.33Å; S408-T426 PolarHBondContact N-O 2.85Å; S408-T426 PolarHBondContact O-N 2.87Å; S408-T426 PolarHBondContact OG-OG1 2.92Å; I410-T426 HydrophobicContact CD1-CG2 3.84Å; L424-T426 HydrophobicContact CD2-CG2 3.92Å; L424-T426 HydrophobicContact CG-CG2 3.9Å
427A94.9Very high94.1Very high26 Ų2652.2 Ų52.222%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-149.5143.7174.600000109.7P404 I407 S429 A433 F435 A468P404-A427 HydrophobicContact CB-CB 3.94Å; I407-A427 HydrophobicContact CG1-CB 4.04Å; A427-S429 PolarHBondContact O-N 3.21Å; A427-A433 HydrophobicContact CB-CB 4.5Å; A427-F435 HydrophobicContact CB-CE1 3.98Å; A427-F435 HydrophobicContact CB-CZ 4.28Å; A427-A468 HydrophobicContact CB-CB 3.75Å
428V94.1Very high94.2Very high71 Ų7148.7 Ų48.743%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-85.1109.1175.3177.30000108.4Y402 G403 P404 Y405 N406Y402-V428 HydrophobicContact CE2-CG1 3.86Å; G403-V428 WeakPolarHBondContact CA-O 3.24Å; P404-V428 CarbonylContact C-O 3.33Å; P404-V428 WeakPolarHBondContact CA-O 3.41Å; Y405-V428 PolarHBondContact N-O 3.32Å; Y405-V428 PolarHBondContact O-N 3.43Å; N406-V428 HydrophobicContact CB-CG2 4.5Å
429S94.3Very high94.5Very high17 Ų1749 Ų4912%0.11927%0.27CS..EExtended strand (participates in β ladder)trans-153.8139.9-173.7-1710000112.2Y402 A427 P431 N470Y402-S429 WeakPolarHBondContact O-CA 2.94Å; Y402-S429 PolarHBondContact O-OG 3.04Å; A427-S429 PolarHBondContact O-N 3.21Å; S429-P431 CarbonylContact C-O 3.48Å; S429-P431 WeakPolarHBondContact CB-O 3.26Å; S429-P431 CarbonylContact O-C 3.54Å; S429-P431 PolarHBondContact OG-O 2.77Å; S429-N470 PolarHBondContact OG-ND2 3Å
430V94.6Very high94.5Very high28 Ų2848.2 Ų48.217%0.1727%0.269CS..EExtended strand (participates in β ladder)trans-127.9122.4165.9175.90000108.4T399 V400 N401 Y402 N470T399-V430 HydrophobicContact CG2-CG1 4.05Å; V400-V430 WeakPolarHBondContact O-CG1 3.4Å; N401-V430 CarbonylContact C-O 3.57Å; N401-V430 WeakPolarHBondContact CA-O 3.46Å; N401-V430 WeakPolarHBondContact CB-O 3.34Å; Y402-V430 HydrophobicContact CD1-CB 4.05Å; Y402-V430 HydrophobicContact CD1-CG2 4.31Å; Y402-V430 HydrophobicContact CE1-CB 3.74Å; Y402-V430 HydrophobicContact CE1-CG2 3.52Å; Y402-V430 HydrophobicContact CE2-CG2 4.14Å; Y402-V430 VanDerWaalsContact CZ-CG2 3.42Å; Y402-V430 PolarHBondContact N-O 2.96Å; Y402-V430 PolarHBondContact O-N 3.41Å; Y402-V430 WeakPolarHBondContact OH-CG2 3.48Å; V430-N470 PolarHBondContact O-ND2 2.73Å
431P94Very high94.3Very high43 Ų4343.6 Ų43.628%0.27927%0.271SS..SBendcis-60.5170.7-11.431.2-38.2000111.8N401 S429 A433 V472N401-P431 VanDerWaalsContact OD1-CD 3.28Å; N401-P431 WeakPolarHBondContact OD1-CD 3.38Å; S429-P431 CarbonylContact C-O 3.48Å; S429-P431 WeakPolarHBondContact CB-O 3.26Å; S429-P431 CarbonylContact O-C 3.54Å; S429-P431 PolarHBondContact OG-O 2.77Å; P431-A433 PolarHBondContact O-N 2.88Å; P431-V472 HydrophobicContact CG-CB 4.46Å; P431-V472 HydrophobicContact CG-CG2 3.69Å
432P92.9Very high94.2Very high114 Ų11449 Ų4974%0.7430%0.299SS*.PPolyproline II helixtrans-49.5139.8174.9-27.635.5000112.2
433A94.1Very high94.1Very high9 Ų953.2 Ų53.27%0.07432%0.315CS..PPolyproline II helixtrans-77.2150.2-177.600000112P404 A427 P431 F435 A468 R469P404-A433 HydrophobicContact CB-CB 3.98Å; P404-A433 HydrophobicContact CG-CB 4.43Å; A427-A433 HydrophobicContact CB-CB 4.5Å; P431-A433 PolarHBondContact O-N 2.88Å; A433-F435 HydrophobicContact CB-CZ 4.36Å; A433-F435 WeakPolarHBondContact O-CD2 3.39Å; A433-F435 VanDerWaalsContact O-CE2 3.26Å; A433-F435 WeakPolarHBondContact O-CE2 3.22Å; A433-A468 HydrophobicContact CB-CB 3.96Å; A433-R469 CarbonylContact C-O 3.54Å; A433-R469 WeakPolarHBondContact CA-O 3.47Å
434N94.3Very high93.9Very high98 Ų9854.3 Ų54.352%0.52432%0.322SS..EExtended strand (participates in β ladder)trans-84.6136.9167.3-72.8-4.5000109.4A468 R469N434-A468 CarbonylContact O-C 3.54Å; N434-A468 VanDerWaalsContact O-CA 3.29Å; N434-A468 WeakPolarHBondContact O-CA 3.45Å; N434-R469 PolarHBondContact N-O 2.78Å; N434-R469 PolarHBondContact O-N 3.49Å
435F94.7Very high93.6Very high33 Ų3358.3 Ų58.315%0.14534%0.339CS..EExtended strand (participates in β ladder)trans-107.6149-176.7-61.4-78.5000111.2C425 A427 A433 N447 T467 A468C425-F435 HydrophobicContact CB-CD1 3.97Å; C425-F435 HydrophobicContact CB-CE1 4.25Å; C425-F435 WeakPolarHBondContact SG-CD1 3.21Å; A427-F435 HydrophobicContact CB-CE1 3.98Å; A427-F435 HydrophobicContact CB-CZ 4.28Å; A433-F435 HydrophobicContact CB-CZ 4.36Å; A433-F435 WeakPolarHBondContact O-CD2 3.39Å; A433-F435 VanDerWaalsContact O-CE2 3.26Å; A433-F435 WeakPolarHBondContact O-CE2 3.22Å; F435-N447 CarbonylContact O-C 3.27Å; F435-N447 VanDerWaalsContact O-C 3.27Å; F435-N447 WeakPolarHBondContact O-CA 3.46Å; F435-T467 CarbonylContact C-O 3.56Å; F435-T467 VanDerWaalsContact CA-O 3.3Å; F435-T467 WeakPolarHBondContact CA-O 3.35Å; F435-A468 HydrophobicContact CD1-CB 3.72Å; F435-A468 HydrophobicContact CE1-CB 3.63Å
436S94.4Very high93.5Very high45 Ų4560.1 Ų60.132%0.31535%0.35SS..EExtended strand (participates in β ladder)trans-145.5149.2166.2750000111.3V446 C466 T467S436-V446 WeakPolarHBondContact CA-O 3.39Å; S436-C466 WeakPolarHBondContact O-CA 3.5Å; S436-T467 PolarHBondContact N-O 3.21Å; S436-T467 PolarHBondContact O-N 2.93Å; S436-T467 PolarHBondContact O-OG1 3.34Å; S436-T467 PolarHBondContact OG-OG1 2.88Å
437W96.2Very high93.4Very high4 Ų463.5 Ų63.52%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-117.9139.5-172.9-68.584.7000112.9V409 L423 C425 T444 V446 T448 F451 C466V409-W437 HydrophobicContact CB-CH2 4.41Å; V409-W437 HydrophobicContact CG1-CH2 3.74Å; V409-W437 HydrophobicContact CG1-CZ3 3.93Å; V409-W437 HydrophobicContact CG2-CH2 3.85Å; V409-W437 HydrophobicContact CG2-CZ3 3.84Å; L423-W437 HydrophobicContact CB-CH2 3.64Å; L423-W437 HydrophobicContact CB-CZ2 4.45Å; L423-W437 HydrophobicContact CB-CZ3 4.07Å; L423-W437 HydrophobicContact CD1-CZ3 4.22Å; C425-W437 HydrophobicContact CB-CH2 4.02Å; C425-W437 HydrophobicContact CB-CZ2 3.49Å; C425-W437 VanDerWaalsContact CB-CZ2 3.49Å; W437-T444 VanDerWaalsContact CB-OG1 3.29Å; W437-T444 WeakPolarHBondContact CB-OG1 3.5Å; W437-T444 PolarHBondContact O-N 2.87Å; W437-T444 PolarHBondContact O-OG1 2.89Å; W437-V446 HydrophobicContact CB-CB 4.33Å; W437-V446 HydrophobicContact CG-CB 4.46Å; W437-V446 PolarHBondContact N-O 3.29Å; W437-T448 PolarHBondContact NE1-O 3.22Å; W437-F451 HydrophobicContact CB-CD2 3.67Å; W437-F451 HydrophobicContact CB-CE2 4.11Å; W437-F451 HydrophobicContact CD2-CB 3.69Å; W437-F451 AromaticContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CG 4.15Å; W437-F451 HydrophobicContact CE3-CB 4Å; W437-F451 HydrophobicContact CE3-CD2 4.33Å; W437-F451 HydrophobicContact CE3-CG 4.32Å; W437-F451 HydrophobicContact CG-CB 4.17Å; W437-F451 AromaticContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CG 4.32Å; W437-F451 HydrophobicContact CH2-CB 4.06Å; W437-F451 HydrophobicContact CZ2-CB 3.77Å; W437-F451 HydrophobicContact CZ3-CB 4.18Å; W437-C466 HydrophobicContact CD2-CB 4.01Å; W437-C466 HydrophobicContact CE3-CB 3.92Å; W437-C466 HydrophobicContact CH2-CB 4.03Å; W437-C466 HydrophobicContact CZ2-CB 4.11Å; W437-C466 HydrophobicContact CZ3-CB 3.92Å
438T95.8Very high93.3Very high31 Ų3166.1 Ų66.119%0.1938%0.379CS..EExtended strand (participates in β ladder)trans-117.4143.1167.559.60000110.3N442 Y464 T465T438-N442 CarbonylContact C-O 3.47Å; T438-N442 WeakPolarHBondContact CA-O 3.22Å; T438-N442 WeakPolarHBondContact CB-O 3.39Å; T438-Y464 WeakPolarHBondContact O-CA 3.25Å; T438-T465 PolarHBondContact N-O 2.87Å; T438-T465 PolarHBondContact O-N 3.2Å; T438-T465 WeakPolarHBondContact OG1-CB 3.27Å; T438-T465 PolarHBondContact OG1-O 3.2Å
439F94.6Very high93.2Very high47 Ų4764.9 Ų64.921%0.20637%0.374CS..EExtended strand (participates in β ladder)trans-118.6118.7175174.5-115.7000108.7G441 N442 T444 K459 N463 Y464F439-G441 PolarHBondContact O-N 2.98Å; F439-G441 VanDerWaalsContact O-N 3.13Å; F439-N442 PolarHBondContact N-O 2.62Å; F439-N442 PolarHBondContact O-N 2.78Å; F439-T444 HydrophobicContact CB-CG2 3.6Å; F439-K459 WeakPolarHBondContact CZ-O 3.43Å; F439-N463 WeakPolarHBondContact CA-O 3.42Å; F439-Y464 HydrophobicContact CB-CD1 4.45Å; F439-Y464 HydrophobicContact CB-CE1 4.34Å; F439-Y464 AromaticContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD2 4.15Å; F439-Y464 AromaticContact CD2-CE1 3.41Å; F439-Y464 HydrophobicContact CD2-CE1 3.41Å; F439-Y464 VanDerWaalsContact CD2-CE1 3.41Å; F439-Y464 AromaticContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CG 4.19Å; F439-Y464 AromaticContact CD2-CZ 3.36Å; F439-Y464 HydrophobicContact CE2-CD2 4.37Å; F439-Y464 AromaticContact CE2-CE1 3.99Å; F439-Y464 HydrophobicContact CE2-CE1 3.99Å; F439-Y464 AromaticContact CE2-CE2 3.65Å; F439-Y464 HydrophobicContact CE2-CE2 3.65Å; F439-Y464 AromaticContact CE2-CZ 3.43Å; F439-Y464 VanDerWaalsContact CE2-CZ 3.43Å; F439-Y464 WeakPolarHBondContact CE2-OH 3.41Å; F439-Y464 HydrophobicContact CG-CE1 4.11Å
440N92.6Very high93.3Very high90 Ų9068.7 Ų68.748%0.48139%0.391SS..THydrogen-bonded Turntrans49.635.2-173.2-66.3-28.8000113.3G462 N463N440-G462 VanDerWaalsContact OD1-CA 3.26Å; N440-G462 WeakPolarHBondContact OD1-CA 3.19Å; N440-N463 PolarHBondContact N-O 2.95Å; N440-N463 PolarHBondContact OD1-N 2.95Å
441G89.3Confident93.3Very high62 Ų6268.5 Ų68.564%0.63939%0.388SS*.THydrogen-bonded Turntrans87.8-9.5-179.300000115.7F439F439-G441 PolarHBondContact O-N 2.98Å; F439-G441 VanDerWaalsContact O-N 3.13Å
442N92.4Very high93.3Very high123 Ų12369 Ų6966%0.65839%0.39SS*.EExtended strand (participates in β ladder)trans-93.8142177.9-71-9.3000111.6T438 F439T438-N442 CarbonylContact C-O 3.47Å; T438-N442 WeakPolarHBondContact CA-O 3.22Å; T438-N442 WeakPolarHBondContact CB-O 3.39Å; F439-N442 PolarHBondContact N-O 2.62Å; F439-N442 PolarHBondContact O-N 2.78Å
443E91.9Very high93.3Very high147 Ų14764.2 Ų64.269%0.68736%0.358SS*.EExtended strand (participates in β ladder)trans-63.4137.5175.5-69.8-167.8171.400111.9H445E443-H445 IonicContact OE2-CE1 3.85Å
444T91.4Very high93.2Very high37 Ų3769.4 Ų69.423%0.22738%0.381CS..  trans-105.3-5.6179.565.20000113.3W437 F439 V446 F451W437-T444 VanDerWaalsContact CB-OG1 3.29Å; W437-T444 WeakPolarHBondContact CB-OG1 3.5Å; W437-T444 PolarHBondContact O-N 2.87Å; W437-T444 PolarHBondContact O-OG1 2.89Å; F439-T444 HydrophobicContact CB-CG2 3.6Å; T444-V446 PolarHBondContact O-N 2.94Å; T444-V446 PolarHBondContact OG1-N 3.41Å; T444-F451 HydrophobicContact CG2-CE2 3.8Å; T444-F451 HydrophobicContact CG2-CZ 4.2Å; T444-F451 WeakPolarHBondContact OG1-CE2 3.26Å
445H90.1Very high93.1Very high148 Ų14871 Ų7169%0.68538%0.383SS*.  trans57.19-172.5-54.7-63000115.7E443 N447E443-H445 IonicContact OE2-CE1 3.85Å; H445-N447 PolarHBondContact O-N 2.92Å
446V92.1Very high92.9Very high40 Ų4070.7 Ų70.724%0.24238%0.383CS..  trans-77.1113.5172.3179.90000108.4S436 W437 T444 T448 F451S436-V446 WeakPolarHBondContact CA-O 3.39Å; W437-V446 HydrophobicContact CB-CB 4.33Å; W437-V446 HydrophobicContact CG-CB 4.46Å; W437-V446 PolarHBondContact N-O 3.29Å; T444-V446 PolarHBondContact O-N 2.94Å; T444-V446 PolarHBondContact OG1-N 3.41Å; V446-T448 WeakPolarHBondContact CG1-OG1 3.5Å; V446-F451 HydrophobicContact CB-CD2 3.82Å; V446-F451 HydrophobicContact CB-CE2 4.07Å; V446-F451 HydrophobicContact CG1-CD2 3.96Å; V446-F451 HydrophobicContact CG2-CD2 3.72Å; V446-F451 HydrophobicContact CG2-CE2 3.57Å
447N92.1Very high92.9Very high120 Ų12072.5 Ų72.564%0.64239%0.387SS*.  trans-108.517.9-176-64.9-15.7000113.6F435 H445F435-N447 CarbonylContact O-C 3.27Å; F435-N447 VanDerWaalsContact O-C 3.27Å; F435-N447 WeakPolarHBondContact O-CA 3.46Å; H445-N447 PolarHBondContact O-N 2.92Å
448T92.9Very high92.4Very high81 Ų8176.3 Ų76.350%0.49742%0.419SS..SBendtrans-103.9160.1179.5480000111.2W437 V446 M450W437-T448 PolarHBondContact NE1-O 3.22Å; V446-T448 WeakPolarHBondContact CG1-OG1 3.5Å; T448-M450 PolarHBondContact O-N 2.89Å; T448-M450 PolarHBondContact OG1-O 2.75Å
449S93.5Very high92Very high46 Ų4681.8 Ų81.832%0.32244%0.44SS..SBendtrans-63.5-20.7173.157.50000112.9C425C425-S449 PolarHBondContact N-O 2.87Å
450M94.8Very high91.8Very high97 Ų9781.1 Ų81.148%0.47844%0.438SS..EExtended strand (participates in β ladder)trans-106.5135.8176.8-63.6-175.1-64.600111.3T422 L423 L424 T448T422-M450 HydrophobicContact CG2-CB 4.29Å; T422-M450 HydrophobicContact CG2-CG 4.39Å; T422-M450 HydrophobicContact CG2-SD 4.3Å; L423-M450 CarbonylContact O-C 3.51Å; L423-M450 WeakPolarHBondContact O-CA 3.44Å; L424-M450 HydrophobicContact CD1-CG 3.88Å; T448-M450 PolarHBondContact O-N 2.89Å; T448-M450 PolarHBondContact OG1-O 2.75Å
451F94.8Very high91.7Very high24 Ų2483.1 Ų83.111%0.10545%0.448CS..EExtended strand (participates in β ladder)trans-110.8119.4166.3-169-80.3000108.9T422 L423 W437 T444 V446 I453 Y464T422-F451 WeakPolarHBondContact CA-O 3.49Å; L423-F451 HydrophobicContact CB-CB 4.32Å; L423-F451 PolarHBondContact N-O 3.21Å; L423-F451 PolarHBondContact O-N 2.83Å; W437-F451 HydrophobicContact CB-CD2 3.67Å; W437-F451 HydrophobicContact CB-CE2 4.11Å; W437-F451 HydrophobicContact CD2-CB 3.69Å; W437-F451 AromaticContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CD2 3.93Å; W437-F451 HydrophobicContact CD2-CG 4.15Å; W437-F451 HydrophobicContact CE3-CB 4Å; W437-F451 HydrophobicContact CE3-CD2 4.33Å; W437-F451 HydrophobicContact CE3-CG 4.32Å; W437-F451 HydrophobicContact CG-CB 4.17Å; W437-F451 AromaticContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CD2 3.64Å; W437-F451 HydrophobicContact CG-CG 4.32Å; W437-F451 HydrophobicContact CH2-CB 4.06Å; W437-F451 HydrophobicContact CZ2-CB 3.77Å; W437-F451 HydrophobicContact CZ3-CB 4.18Å; T444-F451 HydrophobicContact CG2-CE2 3.8Å; T444-F451 HydrophobicContact CG2-CZ 4.2Å; T444-F451 WeakPolarHBondContact OG1-CE2 3.26Å; V446-F451 HydrophobicContact CB-CD2 3.82Å; V446-F451 HydrophobicContact CB-CE2 4.07Å; V446-F451 HydrophobicContact CG1-CD2 3.96Å; V446-F451 HydrophobicContact CG2-CD2 3.72Å; V446-F451 HydrophobicContact CG2-CE2 3.57Å; F451-I453 HydrophobicContact CD1-CG1 4.09Å; F451-I453 HydrophobicContact CE1-CG1 3.84Å; F451-Y464 HydrophobicContact CD1-CD1 4.08Å; F451-Y464 AromaticContact CD1-CE1 3.97Å; F451-Y464 HydrophobicContact CD1-CE1 3.97Å; F451-Y464 AromaticContact CE1-CD1 3.9Å; F451-Y464 HydrophobicContact CE1-CD1 3.9Å; F451-Y464 AromaticContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CE1-CE1 3.41Å; F451-Y464 VanDerWaalsContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CZ-CD1 4.24Å; F451-Y464 AromaticContact CZ-CE1 3.86Å; F451-Y464 HydrophobicContact CZ-CE1 3.86Å
452V94.3Very high91.8Very high54 Ų5481.7 Ų81.733%0.32743%0.433SS..EExtended strand (participates in β ladder)trans-113.4123-173.7-1740000110.1R420 T422 E454R420-V452 HydrophobicContact CG-CG1 4.23Å; T422-V452 HydrophobicContact CG2-CG2 4.19Å; V452-E454 HydrophobicContact CG1-CG 4.44Å; V452-E454 VanDerWaalsContact CG1-OE1 3.28Å; V452-E454 WeakPolarHBondContact CG1-OE1 3.28Å
453I93.3Very high91.9Very high12 Ų1281.7 Ų81.76%0.06243%0.433CS..EExtended strand (participates in β ladder)trans-100.3102.9169.4-54.8166.1000106R420 V421 F451 K455 L456 N460 Y464R420-I453 CarbonylContact C-O 3.56Å; R420-I453 VanDerWaalsContact CA-O 3.31Å; R420-I453 WeakPolarHBondContact CA-O 3.38Å; V421-I453 HydrophobicContact CB-CB 4.21Å; V421-I453 HydrophobicContact CB-CD1 4.27Å; V421-I453 HydrophobicContact CG1-CD1 4.3Å; V421-I453 PolarHBondContact N-O 2.83Å; V421-I453 PolarHBondContact O-N 2.82Å; F451-I453 HydrophobicContact CD1-CG1 4.09Å; F451-I453 HydrophobicContact CE1-CG1 3.84Å; I453-K455 VanDerWaalsContact C-N 3.28Å; I453-K455 PolarHBondContact O-N 2.79Å; I453-L456 HydrophobicContact CD1-CD1 4.28Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å; I453-N460 HydrophobicContact CG2-CB 4.39Å; I453-Y464 HydrophobicContact CD1-CE1 4.21Å; I453-Y464 HydrophobicContact CD1-CE2 4.33Å; I453-Y464 WeakPolarHBondContact CD1-OH 3.11Å
454E92.3Very high92Very high118 Ų11876.8 Ų76.855%0.55141%0.409SS*.SBendtrans-63.8-34.3-175.7-70.6-60.8157.100112.7R420 V452R420-E454 WeakPolarHBondContact CD-OE2 3.33Å; R420-E454 IonicContact CZ-OE1 2.94Å; R420-E454 IonicContact CZ-OE2 3.4Å; R420-E454 IonicContact NE-OE1 3.05Å; R420-E454 PolarHBondContact NE-OE1 3.41Å; R420-E454 IonicContact NE-OE2 3.63Å; R420-E454 PolarHBondContact NE-OE2 2.97Å; R420-E454 IonicContact NH2-OE1 2.8Å; R420-E454 PolarHBondContact NH2-OE1 3.02Å; R420-E454 IonicContact NH2-OE2 3.74Å; V452-E454 HydrophobicContact CG1-CG 4.44Å; V452-E454 VanDerWaalsContact CG1-OE1 3.28Å; V452-E454 WeakPolarHBondContact CG1-OE1 3.28Å
455K92Very high92.1Very high132 Ų13278.6 Ų78.657%0.57442%0.42SS*.SBendtrans-144.6114.6176.6-168.9-179.3-177.2-179.20110.2I453 E457I453-K455 VanDerWaalsContact C-N 3.28Å; I453-K455 PolarHBondContact O-N 2.79Å; K455-E457 PolarHBondContact O-N 2.93Å
456L91.4Very high92.3Very high27 Ų2772.1 Ų72.114%0.14139%0.391CS..  trans-71.7121.2-178-170.972.5000112.1A415 G418 H419 V421 I453 N460A415-L456 HydrophobicContact CB-CD2 3.94Å; A415-L456 VanDerWaalsContact O-CD2 3.28Å; A415-L456 WeakPolarHBondContact O-CD2 3.36Å; G418-L456 PolarHBondContact N-O 2.89Å; H419-L456 WeakPolarHBondContact O-CB 3Å; H419-L456 PolarHBondContact O-N 3.46Å; V421-L456 HydrophobicContact CG2-CB 4.48Å; V421-L456 HydrophobicContact CG2-CD1 4.42Å; V421-L456 HydrophobicContact CG2-CD2 4.37Å; I453-L456 HydrophobicContact CD1-CD1 4.28Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å; L456-N460 HydrophobicContact CD1-CB 3.88Å
457E92.4Very high92.4Very high83 Ų8373.3 Ų73.339%0.38840%0.399SS..  trans-121.5164.9175.2-63.7175.7-176.700111.3K455 K459 N460K455-E457 PolarHBondContact O-N 2.93Å; E457-K459 HydrophobicContact CB-CG 4.21Å; E457-K459 PolarHBondContact O-N 2.95Å; E457-K459 VanDerWaalsContact O-N 3.12Å; E457-K459 WeakPolarHBondContact OE2-CD 3.33Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.68Å; E457-K459 PolarHBondContact OE2-NZ 3.41Å; E457-N460 WeakPolarHBondContact CB-OD1 3.22Å; E457-N460 PolarHBondContact N-OD1 3.27Å; E457-N460 WeakPolarHBondContact O-CB 3.33Å; E457-N460 PolarHBondContact O-N 3.3Å
458A87.1Confident92.5Very high84 Ų8468 Ų6869%0.69437%0.371SS*.G310 helixtrans-55.8-32.1179.300000113.2N460 I461A458-N460 PolarHBondContact O-N 3Å; A458-I461 WeakPolarHBondContact O-CB 3.41Å; A458-I461 WeakPolarHBondContact O-CG1 3.39Å; A458-I461 PolarHBondContact O-N 3.09Å
459K87.7Confident92.5Very high146 Ų14671.4 Ų71.464%0.63538%0.375SS*.G310 helixtrans-68.3-17176.776.9-169.1-172.8-151.80114.1F439 E457 I461F439-K459 WeakPolarHBondContact CZ-O 3.43Å; E457-K459 HydrophobicContact CB-CG 4.21Å; E457-K459 PolarHBondContact O-N 2.95Å; E457-K459 VanDerWaalsContact O-N 3.12Å; E457-K459 WeakPolarHBondContact OE2-CD 3.33Å; E457-K459 WeakPolarHBondContact OE2-CE 3.29Å; E457-K459 IonicContact OE2-NZ 2.68Å; E457-K459 PolarHBondContact OE2-NZ 3.41Å; K459-I461 VanDerWaalsContact C-N 3.35Å
460N90Very high92.5Very high32 Ų3269.2 Ų69.217%0.17136%0.359CS..G310 helixtrans-89.4-3.5179-56.5121.3000112.4I453 L456 E457 A458 G462 Y464I453-N460 HydrophobicContact CG2-CB 4.39Å; L456-N460 HydrophobicContact CD1-CB 3.88Å; E457-N460 WeakPolarHBondContact CB-OD1 3.22Å; E457-N460 PolarHBondContact N-OD1 3.27Å; E457-N460 WeakPolarHBondContact O-CB 3.33Å; E457-N460 PolarHBondContact O-N 3.3Å; A458-N460 PolarHBondContact O-N 3Å; N460-G462 PolarHBondContact O-N 3.41Å; N460-Y464 WeakPolarHBondContact O-CE2 3.19Å; N460-Y464 PolarHBondContact O-OH 2.63Å
461I90.2Very high92.3Very high132 Ų13270.3 Ų70.368%0.67737%0.365SS*.  trans-74.1122.3175.1-59.3173.5000108.1A458 K459A458-I461 WeakPolarHBondContact O-CB 3.41Å; A458-I461 WeakPolarHBondContact O-CG1 3.39Å; A458-I461 PolarHBondContact O-N 3.09Å; K459-I461 VanDerWaalsContact C-N 3.35Å
462G91.1Very high92.1Very high32 Ų3271.5 Ų71.533%0.3337%0.374SS..SBendtrans166.1-172.5-17900000113N440 N460 Y464N440-G462 VanDerWaalsContact OD1-CA 3.26Å; N440-G462 WeakPolarHBondContact OD1-CA 3.19Å; N460-G462 PolarHBondContact O-N 3.41Å; G462-Y464 WeakPolarHBondContact O-CD2 3.37Å
463N93.6Very high91.8Very high124 Ų12469.5 Ų69.566%0.66336%0.362SS*.  trans-89.4120.3-179.6-69.7-17.4000110F439 N440F439-N463 WeakPolarHBondContact CA-O 3.42Å; N440-N463 PolarHBondContact N-O 2.95Å; N440-N463 PolarHBondContact OD1-N 2.95Å
464Y94.3Very high91.4Very high43 Ų4379.2 Ų79.217%0.16940%0.398CS..EExtended strand (participates in β ladder)trans-101.2118.8171.4-65.5-94.7000108.6L423 T438 F439 F451 I453 N460 G462L423-Y464 HydrophobicContact CD1-CD1 3.95Å; L423-Y464 HydrophobicContact CD1-CD2 3.89Å; L423-Y464 HydrophobicContact CD1-CG 3.55Å; T438-Y464 WeakPolarHBondContact O-CA 3.25Å; F439-Y464 HydrophobicContact CB-CD1 4.45Å; F439-Y464 HydrophobicContact CB-CE1 4.34Å; F439-Y464 AromaticContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD1 3.84Å; F439-Y464 HydrophobicContact CD2-CD2 4.15Å; F439-Y464 AromaticContact CD2-CE1 3.41Å; F439-Y464 HydrophobicContact CD2-CE1 3.41Å; F439-Y464 VanDerWaalsContact CD2-CE1 3.41Å; F439-Y464 AromaticContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CE2 3.75Å; F439-Y464 HydrophobicContact CD2-CG 4.19Å; F439-Y464 AromaticContact CD2-CZ 3.36Å; F439-Y464 HydrophobicContact CE2-CD2 4.37Å; F439-Y464 AromaticContact CE2-CE1 3.99Å; F439-Y464 HydrophobicContact CE2-CE1 3.99Å; F439-Y464 AromaticContact CE2-CE2 3.65Å; F439-Y464 HydrophobicContact CE2-CE2 3.65Å; F439-Y464 AromaticContact CE2-CZ 3.43Å; F439-Y464 VanDerWaalsContact CE2-CZ 3.43Å; F439-Y464 WeakPolarHBondContact CE2-OH 3.41Å; F439-Y464 HydrophobicContact CG-CE1 4.11Å; F451-Y464 HydrophobicContact CD1-CD1 4.08Å; F451-Y464 AromaticContact CD1-CE1 3.97Å; F451-Y464 HydrophobicContact CD1-CE1 3.97Å; F451-Y464 AromaticContact CE1-CD1 3.9Å; F451-Y464 HydrophobicContact CE1-CD1 3.9Å; F451-Y464 AromaticContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CE1-CE1 3.41Å; F451-Y464 VanDerWaalsContact CE1-CE1 3.41Å; F451-Y464 HydrophobicContact CZ-CD1 4.24Å; F451-Y464 AromaticContact CZ-CE1 3.86Å; F451-Y464 HydrophobicContact CZ-CE1 3.86Å; I453-Y464 HydrophobicContact CD1-CE1 4.21Å; I453-Y464 HydrophobicContact CD1-CE2 4.33Å; I453-Y464 WeakPolarHBondContact CD1-OH 3.11Å; N460-Y464 WeakPolarHBondContact O-CE2 3.19Å; N460-Y464 PolarHBondContact O-OH 2.63Å; G462-Y464 WeakPolarHBondContact O-CD2 3.37Å
465T94.6Very high90.9Very high76 Ų7679.8 Ų79.847%0.46640%0.399SS..EExtended strand (participates in β ladder)trans-116.1121.2177.7-55.70000109T438T438-T465 PolarHBondContact N-O 2.87Å; T438-T465 PolarHBondContact O-N 3.2Å; T438-T465 WeakPolarHBondContact OG1-CB 3.27Å; T438-T465 PolarHBondContact OG1-O 3.2Å
466C94.7Very high90.8Very high12 Ų1277.2 Ų77.28%0.08139%0.39CS..EExtended strand (participates in β ladder)trans-93.8137.4170.91750000110.1V409 C425 S436 W437V409-C466 HydrophobicContact CG2-CB 3.6Å; C425-C466 HydrophobicContact CB-CB 3.62Å; C425-C466 WeakPolarHBondContact CB-SG 3.32Å; C425-C466 WeakPolarHBondContact SG-CB 3.43Å; C425-C466 CovalentContact SG-SG 2.01Å; C425-C466 PolarHBondContact SG-SG 3.34Å; S436-C466 WeakPolarHBondContact O-CA 3.5Å; W437-C466 HydrophobicContact CD2-CB 4.01Å; W437-C466 HydrophobicContact CE3-CB 3.92Å; W437-C466 HydrophobicContact CH2-CB 4.03Å; W437-C466 HydrophobicContact CZ2-CB 4.11Å; W437-C466 HydrophobicContact CZ3-CB 3.92Å
467T93.1Very high90.8Very high65 Ų6579.8 Ų79.840%0.39940%0.403SS..EExtended strand (participates in β ladder)trans-111.9143.7166.162.60000109.1F435 S436F435-T467 CarbonylContact C-O 3.56Å; F435-T467 VanDerWaalsContact CA-O 3.3Å; F435-T467 WeakPolarHBondContact CA-O 3.35Å; S436-T467 PolarHBondContact N-O 3.21Å; S436-T467 PolarHBondContact O-N 2.93Å; S436-T467 PolarHBondContact O-OG1 3.34Å; S436-T467 PolarHBondContact OG-OG1 2.88Å
468A95.1Very high90.7Very high7 Ų779.7 Ų79.76%0.05840%0.404CS..EExtended strand (participates in β ladder)trans-121.9138.1175.200000108.6P404 I407 A427 A433 N434 F435P404-A468 HydrophobicContact CB-CB 3.98Å; P404-A468 HydrophobicContact CG-CB 4.17Å; P404-A468 VanDerWaalsContact CG-O 3.22Å; P404-A468 WeakPolarHBondContact CG-O 3.47Å; I407-A468 HydrophobicContact CD1-CB 3.82Å; I407-A468 HydrophobicContact CG1-CB 3.92Å; I407-A468 HydrophobicContact CG2-CB 4.26Å; A427-A468 HydrophobicContact CB-CB 3.75Å; A433-A468 HydrophobicContact CB-CB 3.96Å; N434-A468 CarbonylContact O-C 3.54Å; N434-A468 VanDerWaalsContact O-CA 3.29Å; N434-A468 WeakPolarHBondContact O-CA 3.45Å; F435-A468 HydrophobicContact CD1-CB 3.72Å; F435-A468 HydrophobicContact CE1-CB 3.63Å
469R93Very high90.9Very high153 Ų15379.4 Ų79.458%0.57739%0.387SS*.EExtended strand (participates in β ladder)trans-131.5130.2-177.4-166.1177.1-171.7179.32.3111.3A433 N434 K475A433-R469 CarbonylContact C-O 3.54Å; A433-R469 WeakPolarHBondContact CA-O 3.47Å; N434-R469 PolarHBondContact N-O 2.78Å; N434-R469 PolarHBondContact O-N 3.49Å; R469-K475 CarbonylContact C-O 3.58Å; R469-K475 WeakPolarHBondContact CA-O 3.5Å; R469-K475 WeakPolarHBondContact CG-O 3.41Å
470N92.8Very high91.1Very high0 Ų075.3 Ų75.30%037%0.371CS..  trans-100.1117.2172.6179.9-33.3000109.3Y402 P404 S429 V430 V472 T473 R474 K475Y402-N470 PolarHBondContact O-ND2 3.08Å; P404-N470 HydrophobicContact CG-CB 4.37Å; S429-N470 PolarHBondContact OG-ND2 3Å; V430-N470 PolarHBondContact O-ND2 2.73Å; N470-V472 PolarHBondContact O-N 3.48Å; N470-V472 WeakPolarHBondContact OD1-CB 3.38Å; N470-V472 PolarHBondContact OD1-N 2.91Å; N470-T473 VanDerWaalsContact CB-OG1 3.29Å; N470-T473 WeakPolarHBondContact CB-OG1 3.46Å; N470-T473 PolarHBondContact OD1-N 3.22Å; N470-T473 VanDerWaalsContact OD1-N 3.14Å; N470-R474 WeakPolarHBondContact O-CA 3.28Å; N470-R474 PolarHBondContact O-N 3.24Å; N470-K475 PolarHBondContact N-O 3.07Å
471M89.8Confident91.2Very high120 Ų12078.1 Ų78.159%0.59139%0.385SS*.THydrogen-bonded Turntrans-68.9-21.7-173.8-62.1-60.6-68.300113.4
472V90.4Very high91.2Very high50 Ų5074.3 Ų74.330%0.30336%0.364SS..THydrogen-bonded Turntrans-87.7-48.7-179.6-178.50000111V323 I325 N401 P431 N470 R474V323-V472 HydrophobicContact CG1-CG1 3.64Å; I325-V472 HydrophobicContact CD1-CG1 4.48Å; I325-V472 HydrophobicContact CG1-CG1 4.38Å; N401-V472 HydrophobicContact CB-CB 4.31Å; N401-V472 HydrophobicContact CB-CG1 3.8Å; P431-V472 HydrophobicContact CG-CB 4.46Å; P431-V472 HydrophobicContact CG-CG2 3.69Å; N470-V472 PolarHBondContact O-N 3.48Å; N470-V472 WeakPolarHBondContact OD1-CB 3.38Å; N470-V472 PolarHBondContact OD1-N 2.91Å; V472-R474 PolarHBondContact O-N 3.07Å
473T89.6Confident91.2Very high12 Ų1277.5 Ų77.57%0.07437%0.366CS..THydrogen-bonded Turntrans-76.5-13.8178.967.60000112.6I325 N401 G403 N470 K475I325-T473 HydrophobicContact CG2-CG2 4.22Å; N401-T473 HydrophobicContact CB-CG2 4.23Å; G403-T473 PolarHBondContact O-OG1 3.36Å; N470-T473 VanDerWaalsContact CB-OG1 3.29Å; N470-T473 WeakPolarHBondContact CB-OG1 3.46Å; N470-T473 PolarHBondContact OD1-N 3.22Å; N470-T473 VanDerWaalsContact OD1-N 3.14Å; T473-K475 PolarHBondContact O-N 3.36Å; T473-K475 PolarHBondContact OG1-N 3.12Å
474R84.6Confident91.1Very high215 Ų21573.7 Ų73.781%0.81134%0.342SS*.THydrogen-bonded Turntrans57.422.5-174.2-56.6-174.2179.1-176.60.8113.8N470 V472N470-R474 WeakPolarHBondContact O-CA 3.28Å; N470-R474 PolarHBondContact O-N 3.24Å; V472-R474 PolarHBondContact O-N 3.07Å
475K80.8Confident90.8Very high131 Ų13176.5 Ų76.557%0.5736%0.357SS*.  trans-93.90173.3-69.1-174.7-179.7177.80112.1P404 R469 N470 T473P404-K475 WeakPolarHBondContact CD-O 3.44Å; R469-K475 CarbonylContact C-O 3.58Å; R469-K475 WeakPolarHBondContact CA-O 3.5Å; R469-K475 WeakPolarHBondContact CG-O 3.41Å; N470-K475 PolarHBondContact N-O 3.07Å; T473-K475 PolarHBondContact O-N 3.36Å; T473-K475 PolarHBondContact OG1-N 3.12Å

Retrieved 475 of 475 residues in 409.8 ms (Link to these results)