A0A087Y351_POEFO Loading...

Interleukin 13 receptor, alpha 2

AlphaFold DB , UniProt , Accession A0A087Y351, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M35.7Very low38.1Very low239 Ų239150.8 Ų150.8100%1.17787%0.865SS**  0115.80-61.4171-171.700105.5
2A35Very low38.1Very low99 Ų99153.8 Ų153.882%0.81887%0.869SS**  66.3134.289.300000112.1
3N32.8Very low38.5Very low142 Ų142154.8 Ų154.876%0.75987%0.87SS**  cis-149.4175.612.6-158.63.2000112.9
4K43.3Very low39Very low192 Ų192154.2 Ų154.284%0.83586%0.861SS**  trans-45.2144.5178.4-58.9156.4-177.9178.70115.6
5S34.9Very low38.9Very low131 Ų131157.9 Ų157.992%0.91687%0.865SS**  -144.7147.1127.4-171.30000108.6
6G37.1Very low39.4Very low61 Ų61158.5 Ų158.563%0.62987%0.865SS**  trans-175.4174.6-176.400000114.1
7V46.5Very low39.5Very low144 Ų144157.1 Ų157.187%0.87386%0.863SS**  trans62.176.1174.1-1640000115.1
8L35.1Very low39.5Very low166 Ų166161.7 Ų161.787%0.86987%0.865SS**  trans-154.940.7157.8-148.383.7000114.9
9H37Very low39.2Very low191 Ų191166.9 Ų166.988%0.88487%0.871SS**SBendtrans-144.741.9-176.1-111.760.1000114.6
10S40.7Very low39.3Very low121 Ų121161.6 Ų161.685%0.84686%0.859SS**SBendtrans-147.522.1-177.3-46.90000115.4
11L41Very low39.5Very low173 Ų173159.4 Ų159.491%0.90685%0.847SS**SBendtrans-129.723.3-175.2-99.4168.7000114.4
12M37.7Very low39.8Very low187 Ų187155.5 Ų155.592%0.92183%0.828SS**SBendtrans-134.654.8-178.4-84-68.7-172.200112.3
13L43.6Very low40.2Very low167 Ų167162.3 Ų162.387%0.87483%0.833SS**SBendtrans-144.76.9177.9-110.8170.7000116.2
14I45.7Very low40.8Very low146 Ų146156.2 Ų156.275%0.74980%0.801SS**SBendtrans-131.562.5-179.2-44-179.5000111.4
15F38.1Very low41.3Very low210 Ų210152.8 Ų152.892%0.92180%0.8SS**SBendtrans-147.616.1169.6-91.4-62.7000115.1
16I45.8Very low42.1Very low167 Ų167150 Ų15086%0.85679%0.785SS**SBendtrans-121.243-177.3-37.9-177000112.5
17T42.4Very low43.4Very low135 Ų135154.4 Ų154.483%0.82879%0.792SS**SBendtrans-138.119.6173.343.80000114.4
18W37.9Very low44.9Very low240 Ų240151.3 Ų151.391%0.90977%0.774SS**  trans-136.548.9172.7-144.7-9000115
19R34.3Very low47.5Very low260 Ų260143.7 Ų143.798%0.98173%0.734SS**  trans-122.561.6160.8-90.6-171.4165.8-163.9-3.6110.2
20G41.8Very low50.1Low60 Ų60138.1 Ų138.162%0.61971%0.711SS**SBendtrans-142.121.2-171.900000114.8
21N43.2Very low52.7Low116 Ų116133.8 Ų133.862%0.6268%0.68SS**SBendtrans-164.9162165.9-109.8-86000108.1K58N21-K58 PolarHBondContact OD1-NZ 2.68Å; N21-K58 VanDerWaalsContact OD1-NZ 3.14Å
22M41.2Very low55.3Low158 Ų158125.6 Ų125.678%0.77864%0.637SS**  trans73.796.7-167.1-56.1-53.8-175.100114.8
23R43.3Very low58.1Low241 Ų241119.8 Ų119.891%0.90961%0.608SS**  trans-128.3-11.4167.4-122.3-174-173.2-1691.6115.4
24C46.9Very low60.6Low15 Ų15117.4 Ų117.410%0.10160%0.596CS.*  trans-90.1103.5158.6-78.30000109C55 M59C24-C55 HydrophobicContact CB-CB 3.54Å; C24-C55 WeakPolarHBondContact CB-SG 3.39Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.89Å; C24-M59 HydrophobicContact CB-CE 4.11Å; C24-M59 WeakPolarHBondContact O-CE 3.36Å
25C53Low63Low119 Ų119111.6 Ų111.680%0.80457%0.566SS**  trans170.164.7153.5-97.70000109.1
26A51.4Low65.8Low73 Ų73103.4 Ų103.460%0.60354%0.538SS*.SBendtrans-159.266.5169.500000111T28A26-T28 PolarHBondContact O-N 3.14Å
27I64.3Low68.2Low153 Ų15396.7 Ų96.779%0.78550%0.504SS*.SBendtrans68.5-26173-56.7160.9000115.8I116I27-I116 VanDerWaalsContact O-CD1 3.22Å; I27-I116 WeakPolarHBondContact O-CD1 3.44Å; I27-I116 VanDerWaalsContact O-CG2 3.25Å; I27-I116 WeakPolarHBondContact O-CG2 3.44Å
28T79.3Confident70.7Confident79 Ų7995.2 Ų95.249%0.48549%0.491SS..  trans-98161.9177.756.80000113.7A26A26-T28 PolarHBondContact O-N 3.14Å
29V88.8Confident73.2Confident7 Ų788.4 Ų88.44%0.04247%0.472CS..  trans-134.314117366.80000110.3L56 T104 L106 I116 S118V29-L56 HydrophobicContact CG2-CD1 4.15Å; V29-L56 HydrophobicContact CG2-CD2 4.48Å; V29-T104 HydrophobicContact CG1-CG2 4.28Å; V29-T104 HydrophobicContact CG2-CG2 3.73Å; V29-L106 HydrophobicContact CB-CD1 3.93Å; V29-L106 HydrophobicContact CB-CG 4.43Å; V29-L106 HydrophobicContact CG2-CD1 3.68Å; V29-L106 HydrophobicContact CG2-CG 4.06Å; V29-I116 HydrophobicContact CB-CG2 4.49Å; V29-I116 HydrophobicContact CG1-CG2 4Å; V29-S118 WeakPolarHBondContact O-CA 3.47Å; V29-S118 WeakPolarHBondContact O-CB 3.15Å
30D92.3Very high75.7Confident74 Ų7477.9 Ų77.940%0.39644%0.439SS..PPolyproline II helixtrans-70.6150.8177.9-66.1-47.9000112P53 T104D30-P53 HydrophobicContact CB-CB 3.9Å; D30-P53 HydrophobicContact CB-CG 4.49Å; D30-P53 WeakPolarHBondContact O-CG 3.43Å; D30-T104 WeakPolarHBondContact O-CB 3.25Å; D30-T104 PolarHBondContact O-OG1 2.91Å
31P95.4Very high77.8Confident30 Ų3077.4 Ų77.420%0.19543%0.434CS..PPolyproline II helixtrans-72.2165.6174.132.6-36.4000112.2P53 T104 N120P31-P53 WeakPolarHBondContact O-CG 3.2Å; P31-T104 WeakPolarHBondContact CA-OG1 3.36Å; P31-N120 HydrophobicContact CG-CB 4.38Å
32P95.9Very high80.3Confident1 Ų175.1 Ų75.11%0.00642%0.416CS..PPolyproline II helixtrans-66.2148.2-175.8-2236.5000113.2W50 S51 Y66 V102 T104 T122P32-W50 HydrophobicContact CB-CB 4.15Å; P32-W50 HydrophobicContact CB-CG 4.18Å; P32-S51 WeakPolarHBondContact CB-O 3.02Å; P32-Y66 HydrophobicContact CB-CD1 4.38Å; P32-Y66 HydrophobicContact CB-CE1 4.32Å; P32-Y66 HydrophobicContact CG-CD1 3.68Å; P32-Y66 HydrophobicContact CG-CE1 3.98Å; P32-V102 WeakPolarHBondContact CD-O 3.31Å; P32-V102 HydrophobicContact CG-CB 4.04Å; P32-V102 HydrophobicContact CG-CG1 3.83Å; P32-T104 WeakPolarHBondContact CD-OG1 3.4Å; P32-T122 VanDerWaalsContact O-CB 3.25Å; P32-T122 WeakPolarHBondContact O-CB 3.21Å; P32-T122 PolarHBondContact O-OG1 3.13Å
33E95.6Very high82.8Confident64 Ų6468.6 Ų68.630%0.29938%0.384SS..EExtended strand (participates in β ladder)trans-95.8172.6-179.5-74.7165.2-148.600111L35 S51 P53 S54E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact O-N 3.08Å; E33-S51 PolarHBondContact N-O 3.48Å; E33-S51 PolarHBondContact O-N 3.36Å; E33-P53 WeakPolarHBondContact OE1-CA 3.43Å; E33-S54 VanDerWaalsContact CD-N 3.29Å; E33-S54 WeakPolarHBondContact OE1-CB 3.36Å; E33-S54 PolarHBondContact OE1-N 3.19Å; E33-S54 VanDerWaalsContact OE2-CB 3.31Å; E33-S54 WeakPolarHBondContact OE2-CB 3.22Å; E33-S54 PolarHBondContact OE2-N 3.37Å; E33-S54 PolarHBondContact OE2-OG 2.89Å
34D95.6Very high85.2Confident117 Ų11757.1 Ų57.163%0.62634%0.341SS*.EExtended strand (participates in β ladder)trans48.837.8172.9-50.6-39.2000116.5A36 S51D34-A36 PolarHBondContact O-N 3.34Å; D34-S51 WeakPolarHBondContact OD2-CB 3.18Å; D34-S51 PolarHBondContact OD2-OG 2.94Å
35L97.4Very high87.5Confident24 Ų2458 Ų5813%0.12634%0.344CS..EExtended strand (participates in β ladder)trans-62112.8176.6178.559.1000110.6E33 I48 T49 W50 I100 V102 T122 M124E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact O-N 3.08Å; L35-I48 HydrophobicContact CD1-CG2 3.81Å; L35-T49 WeakPolarHBondContact CA-O 3.38Å; L35-W50 HydrophobicContact CD1-CB 4.49Å; L35-I100 HydrophobicContact CD1-CG2 4.27Å; L35-I100 HydrophobicContact CD2-CG2 4.22Å; L35-V102 HydrophobicContact CD1-CG2 3.81Å; L35-V102 HydrophobicContact CD2-CG2 4.2Å; L35-T122 HydrophobicContact CB-CG2 3.59Å; L35-T122 HydrophobicContact CD2-CG2 3.98Å; L35-T122 WeakPolarHBondContact CD2-O 3.46Å; L35-T122 HydrophobicContact CG-CG2 4.45Å; L35-M124 HydrophobicContact CD2-CB 3.79Å; L35-M124 HydrophobicContact CG-CB 4.23Å
36A96.6Very high89.5Confident39 Ų3953 Ų5332%0.32231%0.309SS..EExtended strand (participates in β ladder)trans-132.4155.7-179.500000111.3D34 T49D34-A36 PolarHBondContact O-N 3.34Å; A36-T49 PolarHBondContact N-O 3.01Å; A36-T49 PolarHBondContact O-N 3.44Å; A36-T49 PolarHBondContact O-OG1 2.78Å
37V96.3Very high91.7Very high25 Ų2552.6 Ų52.615%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-136127.8-178.3-179.30000109M46 Q47 I48 I100 M124 L126V37-M46 HydrophobicContact CG1-CB 3.75Å; V37-M46 HydrophobicContact CG1-CG 4.21Å; V37-M46 HydrophobicContact CG1-SD 3.7Å; V37-Q47 WeakPolarHBondContact CA-O 3.35Å; V37-I48 HydrophobicContact CG2-CG1 4.47Å; V37-I48 HydrophobicContact CG2-CG2 4.38Å; V37-I100 HydrophobicContact CG2-CD1 3.5Å; V37-I100 VanDerWaalsContact CG2-CD1 3.5Å; V37-M124 HydrophobicContact CB-SD 4.18Å; V37-M124 HydrophobicContact CG2-SD 3.62Å; V37-L126 HydrophobicContact CB-CD1 3.92Å; V37-L126 HydrophobicContact CG1-CD1 3.73Å; V37-L126 HydrophobicContact CG2-CD1 4.47Å
38L93.5Very high93.2Very high105 Ų10545.3 Ų45.355%0.5526%0.257SS..EExtended strand (participates in β ladder)trans-120.9110.2-173-66.8154.1000109.1S40 M46 Q47L38-S40 PolarHBondContact O-N 2.61Å; L38-M46 CarbonylContact O-C 3.58Å; L38-M46 WeakPolarHBondContact O-CA 3.49Å; L38-Q47 HydrophobicContact CB-CB 4.36Å; L38-Q47 PolarHBondContact N-O 2.83Å; L38-Q47 PolarHBondContact O-N 3.19Å
39D90.6Very high94.1Very high97 Ų9743.5 Ų43.552%0.51925%0.246SC..EExtended strand (participates in β ladder)trans-65.2130.3168.3-175.61.1000109.3G41D39-G41 PolarHBondContact OD1-N 2.71Å
40S87.6Confident94.5Very high39 Ų3943.6 Ų43.627%0.27325%0.246SC..  trans-98.714.3179.968.20000114.2L38 R42 Q45L38-S40 PolarHBondContact O-N 2.61Å; S40-R42 PolarHBondContact O-N 3.38Å; S40-R42 PolarHBondContact OG-NE 3.06Å; S40-R42 PolarHBondContact OG-NH2 2.97Å; S40-Q45 PolarHBondContact N-O 2.59Å; S40-Q45 PolarHBondContact OG-O 3.13Å
41G86.7Confident94.7Very high50 Ų5041.7 Ų41.752%0.51524%0.238SC..SBendtrans74.41.6177.500000114.1D39 L43D39-G41 PolarHBondContact OD1-N 2.71Å; G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 2.75Å
42R94.4Very high94.6Very high67 Ų6741.8 Ų41.825%0.25324%0.239SC..SBendtrans-96.355.9-175.7-76.2176.1-74.7-125.211.5111.4S40 G44 Q45 Q91 W172 D177S40-R42 PolarHBondContact O-N 3.38Å; S40-R42 PolarHBondContact OG-NE 3.06Å; S40-R42 PolarHBondContact OG-NH2 2.97Å; R42-G44 PolarHBondContact O-N 3.04Å; R42-Q45 HydrophobicContact CB-CB 3.91Å; R42-Q45 PolarHBondContact O-N 2.02Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; R42-Q91 PolarHBondContact O-NE2 3.45Å; R42-W172 HydrophobicContact CB-CD2 3.71Å; R42-W172 HydrophobicContact CB-CE3 4.1Å; R42-W172 HydrophobicContact CB-CG 3.97Å; R42-W172 HydrophobicContact CB-CZ2 4.43Å; R42-W172 VanDerWaalsContact CD-CE2 3.42Å; R42-W172 HydrophobicContact CG-CD2 4.08Å; R42-W172 HydrophobicContact CG-CG 4.13Å; R42-W172 HydrophobicContact CG-CZ2 4.4Å; R42-D177 WeakPolarHBondContact CD-O 3.4Å; R42-D177 PolarHBondContact NH1-O 2.84Å
43L94.8Very high94.5Very high21 Ų2141.8 Ų41.811%0.1124%0.238CC..THydrogen-bonded Turntrans50.833.6175.2-49.5-175.9000114.6G41 Q91 W172 A179 Y209 C211 F225G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 2.75Å; L43-Q91 VanDerWaalsContact C-NE2 3.29Å; L43-Q91 PolarHBondContact O-NE2 2.88Å; L43-W172 HydrophobicContact CD1-CB 4.02Å; L43-W172 HydrophobicContact CG-CB 4.16Å; L43-A179 HydrophobicContact CD1-CB 4.21Å; L43-A179 HydrophobicContact CD2-CB 3.84Å; L43-A179 HydrophobicContact CG-CB 3.81Å; L43-Y209 WeakPolarHBondContact CD1-O 3.42Å; L43-C211 HydrophobicContact CD1-CB 3.94Å; L43-C211 HydrophobicContact CD2-CB 3.75Å; L43-C211 HydrophobicContact CG-CB 4.34Å; L43-F225 HydrophobicContact CB-CE1 4.49Å
44G93.1Very high94.2Very high0 Ų042 Ų420%025%0.247CC..THydrogen-bonded Turntrans107.94.6-179.500000116.6R42 M46 Q91 F92R42-G44 PolarHBondContact O-N 3.04Å; G44-M46 PolarHBondContact O-N 3.01Å; G44-Q91 WeakPolarHBondContact O-CA 3.45Å; G44-F92 WeakPolarHBondContact CA-O 3.27Å; G44-F92 PolarHBondContact O-N 3.26Å
45Q95.5Very high93.5Very high33 Ų3337.7 Ų37.715%0.15423%0.226CC..EExtended strand (participates in β ladder)trans-69.5108.3164.7-178.763.510.900109S40 R42 G89 A90 Q91 W172S40-Q45 PolarHBondContact N-O 2.59Å; S40-Q45 PolarHBondContact OG-O 3.13Å; R42-Q45 HydrophobicContact CB-CB 3.91Å; R42-Q45 PolarHBondContact O-N 2.02Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; Q45-G89 VanDerWaalsContact NE2-C 3.27Å; Q45-G89 PolarHBondContact NE2-O 2.88Å; Q45-A90 VanDerWaalsContact OE1-C 3.25Å; Q45-A90 PolarHBondContact OE1-O 3.07Å; Q45-Q91 VanDerWaalsContact N-NE2 3.14Å; Q45-W172 HydrophobicContact CB-CH2 4.35Å; Q45-W172 HydrophobicContact CB-CZ3 4.03Å; Q45-W172 HydrophobicContact CG-CH2 4.25Å; Q45-W172 HydrophobicContact CG-CZ3 4.36Å
46M94.9Very high92.9Very high15 Ų1537.1 Ų37.17%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-108.5142.5-178.7-58.7-178.5-173.700110.8V37 L38 G44 G89 A90 F92 V98 L126V37-M46 HydrophobicContact CG1-CB 3.75Å; V37-M46 HydrophobicContact CG1-CG 4.21Å; V37-M46 HydrophobicContact CG1-SD 3.7Å; L38-M46 CarbonylContact O-C 3.58Å; L38-M46 WeakPolarHBondContact O-CA 3.49Å; G44-M46 PolarHBondContact O-N 3.01Å; M46-G89 WeakPolarHBondContact O-CA 3.5Å; M46-A90 PolarHBondContact N-O 3.32Å; M46-A90 PolarHBondContact O-N 2.91Å; M46-F92 HydrophobicContact CB-CD2 4.05Å; M46-F92 HydrophobicContact CB-CE2 4.24Å; M46-F92 HydrophobicContact CE-CB 4.29Å; M46-F92 HydrophobicContact CG-CD2 3.99Å; M46-F92 HydrophobicContact SD-CB 4.49Å; M46-F92 HydrophobicContact SD-CD2 3.71Å; M46-F92 HydrophobicContact SD-CE2 4.41Å; M46-F92 HydrophobicContact SD-CG 4.41Å; M46-V98 HydrophobicContact CE-CG2 4.33Å; M46-V98 HydrophobicContact SD-CG2 4.44Å; M46-L126 HydrophobicContact SD-CD1 4.25Å
47Q96.3Very high91.9Very high65 Ų6540 Ų4030%0.30424%0.236SC..EExtended strand (participates in β ladder)trans-94.2116.5168-69.9-68.3-6.100109.1V37 L38V37-Q47 WeakPolarHBondContact CA-O 3.35Å; L38-Q47 HydrophobicContact CB-CB 4.36Å; L38-Q47 PolarHBondContact N-O 2.83Å; L38-Q47 PolarHBondContact O-N 3.19Å
48I97.5Very high91Very high0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-90.6130.6173.1-49172.6000106.9L35 V37 W50 L68 T87 Y88 A90 F92 I100L35-I48 HydrophobicContact CD1-CG2 3.81Å; V37-I48 HydrophobicContact CG2-CG1 4.47Å; V37-I48 HydrophobicContact CG2-CG2 4.38Å; I48-W50 HydrophobicContact CB-CZ3 4.28Å; I48-W50 HydrophobicContact CG2-CE3 4Å; I48-W50 HydrophobicContact CG2-CZ3 3.87Å; I48-L68 HydrophobicContact CD1-CD1 4.31Å; I48-L68 HydrophobicContact CD1-CD2 4.29Å; I48-L68 HydrophobicContact CG2-CD1 4.44Å; I48-T87 CarbonylContact O-C 3.53Å; I48-T87 VanDerWaalsContact O-CA 3.22Å; I48-T87 WeakPolarHBondContact O-CA 3.49Å; I48-T87 PolarHBondContact O-OG1 3.08Å; I48-Y88 WeakPolarHBondContact CB-O 3.22Å; I48-Y88 PolarHBondContact N-O 3.35Å; I48-Y88 PolarHBondContact O-N 3.25Å; I48-A90 HydrophobicContact CD1-CB 4.33Å; I48-F92 HydrophobicContact CD1-CE2 4.27Å; I48-F92 HydrophobicContact CD1-CZ 4.15Å; I48-I100 HydrophobicContact CD1-CD1 3.66Å; I48-I100 HydrophobicContact CD1-CG1 3.98Å; I48-I100 HydrophobicContact CD1-CG2 4.47Å; I48-I100 HydrophobicContact CG1-CD1 3.85Å; I48-I100 HydrophobicContact CG2-CD1 4.32Å; I48-I100 HydrophobicContact CG2-CG2 4.02Å
49T98Very high90.2Very high40 Ų4042.8 Ų42.825%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-137.6146.8-17853.90000111.5L35 A36 R86L35-T49 WeakPolarHBondContact CA-O 3.38Å; A36-T49 PolarHBondContact N-O 3.01Å; A36-T49 PolarHBondContact O-N 3.44Å; A36-T49 PolarHBondContact O-OG1 2.78Å; T49-R86 WeakPolarHBondContact CA-O 3.45Å
50W97.4Very high89.4Confident10 Ų1044.5 Ų44.54%0.03826%0.257CS..EExtended strand (participates in β ladder)trans-150.6153.5177.556.491.2000112.5P32 L35 I48 Y66 L68 T83 S85 R86 V102P32-W50 HydrophobicContact CB-CB 4.15Å; P32-W50 HydrophobicContact CB-CG 4.18Å; L35-W50 HydrophobicContact CD1-CB 4.49Å; I48-W50 HydrophobicContact CB-CZ3 4.28Å; I48-W50 HydrophobicContact CG2-CE3 4Å; I48-W50 HydrophobicContact CG2-CZ3 3.87Å; W50-Y66 AromaticContact CD1-CD1 3.87Å; W50-Y66 AromaticContact CD1-CE1 3.89Å; W50-Y66 AromaticContact CE2-CG 3.92Å; W50-Y66 HydrophobicContact CZ2-CD2 4.22Å; W50-Y66 HydrophobicContact CZ2-CG 4.17Å; W50-Y66 AromaticContact NE1-CD1 3.36Å; W50-Y66 AromaticContact NE1-CD2 3.27Å; W50-Y66 VanDerWaalsContact NE1-CD2 3.27Å; W50-Y66 AromaticContact NE1-CE1 3.7Å; W50-Y66 AromaticContact NE1-CE2 3.63Å; W50-Y66 AromaticContact NE1-CG 3.13Å; W50-Y66 AromaticContact NE1-CZ 3.83Å; W50-L68 HydrophobicContact CH2-CB 4.32Å; W50-L68 HydrophobicContact CH2-CD2 4.02Å; W50-L68 HydrophobicContact CZ3-CD1 4.47Å; W50-L68 HydrophobicContact CZ3-CD2 4.17Å; W50-T83 HydrophobicContact CH2-CG2 4.44Å; W50-T83 HydrophobicContact CZ2-CG2 4.17Å; W50-S85 WeakPolarHBondContact CZ2-O 3.25Å; W50-R86 PolarHBondContact N-O 2.99Å; W50-R86 VanDerWaalsContact N-O 3.08Å; W50-R86 WeakPolarHBondContact O-CB 3.36Å; W50-V102 HydrophobicContact CD2-CG1 4.09Å; W50-V102 HydrophobicContact CD2-CG2 4.37Å; W50-V102 HydrophobicContact CE3-CG2 4.2Å; W50-V102 HydrophobicContact CG-CG1 4.39Å; W50-V102 HydrophobicContact CZ2-CG1 4.28Å
51S95.8Very high88.9Confident34 Ų3451 Ų5124%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-85.5151.9171.7-78.30000111.7P32 E33 D34P32-S51 WeakPolarHBondContact CB-O 3.02Å; E33-S51 PolarHBondContact N-O 3.48Å; E33-S51 PolarHBondContact O-N 3.36Å; D34-S51 WeakPolarHBondContact OD2-CB 3.18Å; D34-S51 PolarHBondContact OD2-OG 2.94Å
52P93.6Very high88.7Confident32 Ų3249.6 Ų49.621%0.20827%0.266CS..PPolyproline II helixtrans-62.9151.3163.331.3-34.2000109.5S54 Y66P52-S54 PolarHBondContact O-N 2.89Å; P52-Y66 WeakPolarHBondContact CB-OH 2.95Å
53P92.8Very high88.4Confident0 Ų056.6 Ų56.60%029%0.292CS..PPolyproline II helixtrans-56.8137.5172.5-16.124.5000111.5D30 P31 E33 C55 L56 T104D30-P53 HydrophobicContact CB-CB 3.9Å; D30-P53 HydrophobicContact CB-CG 4.49Å; D30-P53 WeakPolarHBondContact O-CG 3.43Å; P31-P53 WeakPolarHBondContact O-CG 3.2Å; E33-P53 WeakPolarHBondContact OE1-CA 3.43Å; P53-C55 PolarHBondContact O-N 3.45Å; P53-L56 HydrophobicContact CG-CD1 4.23Å; P53-L56 PolarHBondContact O-N 3.2Å; P53-T104 HydrophobicContact CG-CG2 4.09Å; P53-T104 WeakPolarHBondContact CG-OG1 3.39Å
54S89.7Confident88.2Confident70 Ų7056.9 Ų56.949%0.4930%0.295SS..THydrogen-bonded Turntrans-56.6-21.7-175.9-85.80000113.9E33 P52 T57E33-S54 VanDerWaalsContact CD-N 3.29Å; E33-S54 WeakPolarHBondContact OE1-CB 3.36Å; E33-S54 PolarHBondContact OE1-N 3.19Å; E33-S54 VanDerWaalsContact OE2-CB 3.31Å; E33-S54 WeakPolarHBondContact OE2-CB 3.22Å; E33-S54 PolarHBondContact OE2-N 3.37Å; E33-S54 PolarHBondContact OE2-OG 2.89Å; P52-S54 PolarHBondContact O-N 2.89Å; S54-T57 PolarHBondContact O-OG1 2.99Å
55C81.9Confident88.3Confident26 Ų2660.9 Ų60.918%0.17631%0.314CS..THydrogen-bonded Turntrans-73-34.4174.791.80000113.2C24 P53 T57C24-C55 HydrophobicContact CB-CB 3.54Å; C24-C55 WeakPolarHBondContact CB-SG 3.39Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.89Å; P53-C55 PolarHBondContact O-N 3.45Å; C55-T57 VanDerWaalsContact C-N 3.35Å
56L84.6Confident88.4Confident12 Ų1259.5 Ų59.56%0.06331%0.307CS..G310 helixtrans-79.2-19-178.8-62.8-174.1000112.5V29 P53 K58 M59 C62 P64 T104 L106V29-L56 HydrophobicContact CG2-CD1 4.15Å; V29-L56 HydrophobicContact CG2-CD2 4.48Å; P53-L56 HydrophobicContact CG-CD1 4.23Å; P53-L56 PolarHBondContact O-N 3.2Å; L56-K58 PolarHBondContact O-N 2.78Å; L56-M59 HydrophobicContact CD2-SD 4.01Å; L56-M59 PolarHBondContact O-N 3Å; L56-C62 HydrophobicContact CD2-CB 4.27Å; L56-P64 HydrophobicContact CD1-CB 3.91Å; L56-P64 HydrophobicContact CD1-CG 4.1Å; L56-T104 HydrophobicContact CD1-CG2 4.05Å; L56-L106 HydrophobicContact CD1-CD2 3.91Å; L56-L106 HydrophobicContact CD2-CD1 4.22Å; L56-L106 HydrophobicContact CD2-CD2 4.38Å
57T76.1Confident88.5Confident98 Ų9859.7 Ų59.760%0.60131%0.308SS*.G310 helixtrans-55.3-21.7173.5-41.30000113.1S54 C55S54-T57 PolarHBondContact O-OG1 2.99Å; C55-T57 VanDerWaalsContact C-N 3.35Å
58K75.6Confident88.6Confident143 Ų14356.6 Ų56.662%0.62229%0.293SS*.G310 helixtrans-100.31.7178.1-61177.2-175.3172.80113.7N21 L56N21-K58 PolarHBondContact OD1-NZ 2.68Å; N21-K58 VanDerWaalsContact OD1-NZ 3.14Å; L56-K58 PolarHBondContact O-N 2.78Å
59M77.8Confident88.6Confident47 Ų4757.9 Ų57.923%0.23230%0.299CS..  trans-123.874.5-172.8-63.7-177.7164.200110.9C24 L56 E61 C62C24-M59 HydrophobicContact CB-CE 4.11Å; C24-M59 WeakPolarHBondContact O-CE 3.36Å; L56-M59 HydrophobicContact CD2-SD 4.01Å; L56-M59 PolarHBondContact O-N 3Å; M59-E61 PolarHBondContact O-N 2.86Å; M59-E61 VanDerWaalsContact O-N 3.13Å; M59-C62 HydrophobicContact CB-CB 3.99Å; M59-C62 WeakPolarHBondContact O-CB 3.5Å; M59-C62 PolarHBondContact O-N 2.87Å
60T74.5Confident88.6Confident132 Ų13256.4 Ų56.481%0.8129%0.289SS*.THydrogen-bonded Turntrans-64.6-16.9-17546.60000115.2
61E76.6Confident88.6Confident177 Ų17758.1 Ų58.183%0.82730%0.297SS*.THydrogen-bonded Turntrans-79.1-28.4174.2-65.2170.2179.500111.6M59 R63M59-E61 PolarHBondContact O-N 2.86Å; M59-E61 VanDerWaalsContact O-N 3.13Å; E61-R63 PolarHBondContact O-N 3.43Å
62C82.4Confident88.6Confident20 Ų2057.2 Ų57.214%0.13529%0.29CS..  trans-75.8112.2174.3-590000109.9L56 M59 P64 L106 C110L56-C62 HydrophobicContact CD2-CB 4.27Å; M59-C62 HydrophobicContact CB-CB 3.99Å; M59-C62 WeakPolarHBondContact O-CB 3.5Å; M59-C62 PolarHBondContact O-N 2.87Å; C62-P64 WeakPolarHBondContact O-CD 3.39Å; C62-L106 HydrophobicContact CB-CD2 4.25Å; C62-C110 HydrophobicContact CB-CB 4.27Å; C62-C110 WeakPolarHBondContact SG-CB 3.22Å
63R87.8Confident88.7Confident213 Ų21355.9 Ų55.980%0.80428%0.281SS*.  trans-100.793.7172.9-65.2-173.8-177-174.92.7110E61E61-R63 PolarHBondContact O-N 3.43Å
64P91.1Very high88.8Confident27 Ų2758.6 Ų58.618%0.17529%0.291CS..  trans-65.2143.2-179.626.6-34.7000112L56 C62 Y66 T104 I105 L106L56-P64 HydrophobicContact CD1-CB 3.91Å; L56-P64 HydrophobicContact CD1-CG 4.1Å; C62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-Y66 HydrophobicContact CB-CE1 4.4Å; P64-Y66 WeakPolarHBondContact CG-OH 3.32Å; P64-T104 HydrophobicContact CB-CG2 4.22Å; P64-I105 WeakPolarHBondContact CA-O 3.44Å; P64-L106 HydrophobicContact CB-CD2 4.21Å
65Q94.5Very high88.9Confident85 Ų8561 Ų6140%0.39729%0.293SS..EExtended strand (participates in β ladder)trans-104.6167.7157.2-63.8-176.3-2.800108.5I105Q65-I105 HydrophobicContact CB-CB 4.16Å; Q65-I105 HydrophobicContact CB-CG2 4.28Å; Q65-I105 PolarHBondContact N-O 2.88Å; Q65-I105 PolarHBondContact O-N 2.9Å
66Y97Very high89.5Confident4 Ų465.6 Ų65.62%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-129.4137.6178-53.5-78.5000109.5P32 W50 P52 P64 R82 T83 S85 R86 Y103P32-Y66 HydrophobicContact CB-CD1 4.38Å; P32-Y66 HydrophobicContact CB-CE1 4.32Å; P32-Y66 HydrophobicContact CG-CD1 3.68Å; P32-Y66 HydrophobicContact CG-CE1 3.98Å; W50-Y66 AromaticContact CD1-CD1 3.87Å; W50-Y66 AromaticContact CD1-CE1 3.89Å; W50-Y66 AromaticContact CE2-CG 3.92Å; W50-Y66 HydrophobicContact CZ2-CD2 4.22Å; W50-Y66 HydrophobicContact CZ2-CG 4.17Å; W50-Y66 AromaticContact NE1-CD1 3.36Å; W50-Y66 AromaticContact NE1-CD2 3.27Å; W50-Y66 VanDerWaalsContact NE1-CD2 3.27Å; W50-Y66 AromaticContact NE1-CE1 3.7Å; W50-Y66 AromaticContact NE1-CE2 3.63Å; W50-Y66 AromaticContact NE1-CG 3.13Å; W50-Y66 AromaticContact NE1-CZ 3.83Å; P52-Y66 WeakPolarHBondContact CB-OH 2.95Å; P64-Y66 HydrophobicContact CB-CE1 4.4Å; P64-Y66 WeakPolarHBondContact CG-OH 3.32Å; Y66-R82 CarbonylContact O-C 3.59Å; Y66-R82 VanDerWaalsContact O-CA 3.27Å; Y66-R82 WeakPolarHBondContact O-CA 3.25Å; Y66-T83 PolarHBondContact N-O 2.99Å; Y66-T83 PolarHBondContact O-N 3.22Å; Y66-S85 VanDerWaalsContact CD2-O 3.25Å; Y66-S85 WeakPolarHBondContact CD2-O 3.17Å; Y66-R86 HydrophobicContact CE2-CG 3.95Å; Y66-Y103 VanDerWaalsContact CA-O 3.27Å; Y66-Y103 WeakPolarHBondContact CA-O 3.17Å
67Q98.1Very high90.1Very high18 Ų1868.5 Ų68.58%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-95.8112.8162.3178.9163.7-50.200107.7E69 I80 L81 R82 V102 Y103 I105Q67-E69 HydrophobicContact CG-CG 4.17Å; Q67-E69 PolarHBondContact NE2-OE1 3.05Å; Q67-I80 HydrophobicContact CG-CG2 3.83Å; Q67-L81 WeakPolarHBondContact CA-O 3.37Å; Q67-R82 HydrophobicContact CB-CG 4.17Å; Q67-R82 HydrophobicContact CG-CG 4.41Å; Q67-R82 VanDerWaalsContact OE1-CZ 3.26Å; Q67-V102 WeakPolarHBondContact O-CA 3.24Å; Q67-Y103 PolarHBondContact N-O 2.99Å; Q67-Y103 PolarHBondContact O-N 2.88Å; Q67-I105 HydrophobicContact CB-CD1 3.76Å
68L98.3Very high91.1Very high0 Ų068.5 Ų68.50%032%0.321CS..EExtended strand (participates in β ladder)trans-97.1128.2173.116765.1000107.8I48 W50 Y70 I80 L81 Y88 I100 V102I48-L68 HydrophobicContact CD1-CD1 4.31Å; I48-L68 HydrophobicContact CD1-CD2 4.29Å; I48-L68 HydrophobicContact CG2-CD1 4.44Å; W50-L68 HydrophobicContact CH2-CB 4.32Å; W50-L68 HydrophobicContact CH2-CD2 4.02Å; W50-L68 HydrophobicContact CZ3-CD1 4.47Å; W50-L68 HydrophobicContact CZ3-CD2 4.17Å; L68-Y70 HydrophobicContact CD2-CD1 4.21Å; L68-Y70 HydrophobicContact CD2-CE1 4.49Å; L68-Y70 HydrophobicContact CG-CD1 4.11Å; L68-I80 WeakPolarHBondContact O-CA 3.36Å; L68-L81 HydrophobicContact CB-CD1 4.04Å; L68-L81 HydrophobicContact CB-CG 4.14Å; L68-L81 HydrophobicContact CD2-CD1 4.32Å; L68-L81 HydrophobicContact CD2-CD2 4.23Å; L68-L81 HydrophobicContact CD2-CG 4.37Å; L68-L81 HydrophobicContact CG-CG 4.49Å; L68-L81 PolarHBondContact N-O 3.16Å; L68-L81 PolarHBondContact O-N 2.6Å; L68-Y88 HydrophobicContact CD2-CD1 3.67Å; L68-Y88 HydrophobicContact CD2-CG 3.69Å; L68-I100 HydrophobicContact CD1-CG2 3.78Å; L68-V102 HydrophobicContact CD1-CG2 4Å
69E98.2Very high92.1Very high27 Ų2763.8 Ų63.813%0.12630%0.301CS..EExtended strand (participates in β ladder)trans-121.1130.2172.6-44.6-169.5158.200108.4Q67 W78 E79 I80 I100 R101 Y103Q67-E69 HydrophobicContact CG-CG 4.17Å; Q67-E69 PolarHBondContact NE2-OE1 3.05Å; E69-W78 HydrophobicContact CB-CE3 4Å; E69-W78 HydrophobicContact CB-CZ3 4.2Å; E69-E79 WeakPolarHBondContact CA-O 3.19Å; E69-I80 HydrophobicContact CB-CG1 4.3Å; E69-I80 HydrophobicContact CG-CG1 4.03Å; E69-I80 HydrophobicContact CG-CG2 4.24Å; E69-I100 CarbonylContact O-C 3.5Å; E69-I100 WeakPolarHBondContact O-CA 3.5Å; E69-R101 HydrophobicContact CB-CB 4.32Å; E69-R101 PolarHBondContact N-O 3.04Å; E69-R101 PolarHBondContact O-N 3.41Å; E69-Y103 HydrophobicContact CG-CD2 4.48Å; E69-Y103 HydrophobicContact CG-CE2 4.18Å
70Y97.8Very high93.1Very high9 Ų966.3 Ų66.34%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-140.5149173.563.6-92.7000111.6L68 N72 W78 E79 L81 Y88 A90 F92 H99L68-Y70 HydrophobicContact CD2-CD1 4.21Å; L68-Y70 HydrophobicContact CD2-CE1 4.49Å; L68-Y70 HydrophobicContact CG-CD1 4.11Å; Y70-N72 HydrophobicContact CE2-CB 4.49Å; Y70-N72 PolarHBondContact O-N 2.91Å; Y70-W78 VanDerWaalsContact C-CE3 3.43Å; Y70-W78 WeakPolarHBondContact O-CA 3.35Å; Y70-E79 HydrophobicContact CD2-CB 4.48Å; Y70-E79 HydrophobicContact CE1-CB 4.2Å; Y70-E79 HydrophobicContact CE2-CB 4.03Å; Y70-E79 PolarHBondContact N-O 2.86Å; Y70-E79 PolarHBondContact O-N 2.83Å; Y70-E79 PolarHBondContact OH-OE2 2.95Å; Y70-L81 HydrophobicContact CE1-CD2 4.14Å; Y70-Y88 HydrophobicContact CE1-CD1 4.17Å; Y70-Y88 AromaticContact CE1-CE1 3.71Å; Y70-Y88 HydrophobicContact CE1-CE1 3.71Å; Y70-A90 HydrophobicContact CD2-CB 4.37Å; Y70-A90 HydrophobicContact CE1-CB 4.2Å; Y70-A90 HydrophobicContact CE2-CB 3.89Å; Y70-F92 AromaticContact CD2-CE1 3.68Å; Y70-F92 HydrophobicContact CD2-CE1 3.68Å; Y70-F92 AromaticContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CE2-CE1 4.47Å; Y70-F92 HydrophobicContact CE2-CZ 4.49Å; Y70-F92 HydrophobicContact CG-CE1 4.26Å; Y70-F92 HydrophobicContact CG-CZ 4.09Å; Y70-H99 VanDerWaalsContact CA-O 3.31Å; Y70-H99 WeakPolarHBondContact CA-O 3.36Å
71F97.4Very high94.2Very high47 Ų4761.8 Ų61.821%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-82.3111.1176-168.6-104.7000110T73 N76 N77 W78 H99F71-T73 HydrophobicContact CD1-CG2 4.48Å; F71-T73 PolarHBondContact O-N 2.82Å; F71-T73 VanDerWaalsContact O-N 3.12Å; F71-N76 HydrophobicContact CZ-CB 4.47Å; F71-N77 CarbonylContact C-O 3.5Å; F71-N77 WeakPolarHBondContact CD2-O 3.25Å; F71-W78 HydrophobicContact CB-CD2 4.34Å; F71-W78 HydrophobicContact CB-CE3 4.46Å; F71-W78 HydrophobicContact CB-CZ2 4.39Å; F71-W78 AromaticContact CD2-CD1 3.86Å; F71-W78 HydrophobicContact CD2-CD2 4.29Å; F71-W78 HydrophobicContact CD2-CG 4.17Å; F71-W78 AromaticContact CD2-NE1 3.76Å; F71-H99 HydrophobicContact CB-CB 4.08Å; F71-H99 PolarHBondContact N-O 2.87Å
72N95.9Very high95.1Very high14 Ų1460.2 Ų60.28%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-72.3105.1174.8-175-38.3000109.3Y70 Y74 K75 N76 N77 E79Y70-N72 HydrophobicContact CE2-CB 4.49Å; Y70-N72 PolarHBondContact O-N 2.91Å; N72-Y74 PolarHBondContact O-N 2.94Å; N72-Y74 PolarHBondContact OD1-N 2.79Å; N72-K75 HydrophobicContact CB-CB 4.18Å; N72-K75 WeakPolarHBondContact ND2-CD 3.27Å; N72-K75 PolarHBondContact O-N 2.71Å; N72-K75 PolarHBondContact OD1-N 3.03Å; N72-N76 WeakPolarHBondContact O-CA 3.47Å; N72-N76 PolarHBondContact O-N 3.08Å; N72-N77 PolarHBondContact N-O 3.08Å; N72-E79 HydrophobicContact CB-CG 4.14Å; N72-E79 PolarHBondContact ND2-OE1 2.6Å
73T95.1Very high95.8Very high4 Ų460.4 Ų60.43%0.02527%0.272CS..THydrogen-bonded Turntrans-67.8-12.9-176.550.30000115.2F71 F92 D93 K96F71-T73 HydrophobicContact CD1-CG2 4.48Å; F71-T73 PolarHBondContact O-N 2.82Å; F71-T73 VanDerWaalsContact O-N 3.12Å; T73-F92 HydrophobicContact CG2-CD1 4.28Å; T73-F92 WeakPolarHBondContact OG1-CA 3.48Å; T73-D93 WeakPolarHBondContact OG1-CB 3.46Å; T73-D93 PolarHBondContact OG1-N 3.37Å; T73-K96 HydrophobicContact CG2-CB 4.11Å; T73-K96 HydrophobicContact CG2-CD 4.34Å; T73-K96 PolarHBondContact O-NZ 3.17Å
74Y93.9Very high96.1Very high57 Ų5755 Ų5522%0.22426%0.264CS..THydrogen-bonded Turntrans-97-39.9175.5-67.1-71.8000112.1N72 Q91 F92 D93 Y209N72-Y74 PolarHBondContact O-N 2.94Å; N72-Y74 PolarHBondContact OD1-N 2.79Å; Y74-Q91 HydrophobicContact CE2-CG 3.94Å; Y74-F92 WeakPolarHBondContact CE2-O 3.18Å; Y74-F92 PolarHBondContact OH-O 2.88Å; Y74-D93 HydrophobicContact CE1-CB 4.02Å; Y74-D93 HydrophobicContact CE2-CB 4.22Å; Y74-Y209 HydrophobicContact CD2-CE1 4.19Å; Y74-Y209 AromaticContact CE2-CD1 4Å; Y74-Y209 HydrophobicContact CE2-CD1 4Å; Y74-Y209 AromaticContact CE2-CE1 3.91Å; Y74-Y209 HydrophobicContact CE2-CE1 3.91Å
75K92.3Very high96.3Very high120 Ų12055.6 Ų55.652%0.52227%0.27SS..THydrogen-bonded Turntrans-85.4-13.1176.8-61.9179.6-164.3162.20113.9N72 N77 E79N72-K75 HydrophobicContact CB-CB 4.18Å; N72-K75 WeakPolarHBondContact ND2-CD 3.27Å; N72-K75 PolarHBondContact O-N 2.71Å; N72-K75 PolarHBondContact OD1-N 3.03Å; K75-N77 VanDerWaalsContact C-N 3.35Å; K75-N77 VanDerWaalsContact CB-OD1 3.25Å; K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 2.89Å; K75-E79 WeakPolarHBondContact CD-OE1 3.27Å; K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 3.46Å; K75-E79 PolarHBondContact NZ-OE1 2.84Å
76N94.6Very high96.4Very high124 Ų12458.6 Ų58.666%0.66328%0.277SS*.THydrogen-bonded Turntrans57.741.3-179.2-164.180.4000113.5F71 N72F71-N76 HydrophobicContact CZ-CB 4.47Å; N72-N76 WeakPolarHBondContact O-CA 3.47Å; N72-N76 PolarHBondContact O-N 3.08Å
77N96.7Very high96.4Very high73 Ų7361.4 Ų61.439%0.3930%0.295SS..EExtended strand (participates in β ladder)trans-143.4168.5177.966-9.4000111.5F71 N72 K75F71-N77 CarbonylContact C-O 3.5Å; F71-N77 WeakPolarHBondContact CD2-O 3.25Å; N72-N77 PolarHBondContact N-O 3.08Å; K75-N77 VanDerWaalsContact C-N 3.35Å; K75-N77 VanDerWaalsContact CB-OD1 3.25Å; K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 2.89Å
78W97.4Very high96.4Very high97 Ų9764.3 Ų64.337%0.36731%0.306SS..EExtended strand (participates in β ladder)trans-84.1128.7169-73.989.6000110E69 Y70 F71 H99 R101E69-W78 HydrophobicContact CB-CE3 4Å; E69-W78 HydrophobicContact CB-CZ3 4.2Å; Y70-W78 VanDerWaalsContact C-CE3 3.43Å; Y70-W78 WeakPolarHBondContact O-CA 3.35Å; F71-W78 HydrophobicContact CB-CD2 4.34Å; F71-W78 HydrophobicContact CB-CE3 4.46Å; F71-W78 HydrophobicContact CB-CZ2 4.39Å; F71-W78 AromaticContact CD2-CD1 3.86Å; F71-W78 HydrophobicContact CD2-CD2 4.29Å; F71-W78 HydrophobicContact CD2-CG 4.17Å; F71-W78 AromaticContact CD2-NE1 3.76Å; W78-H99 HydrophobicContact CH2-CB 3.76Å; W78-H99 HydrophobicContact CZ2-CB 4.25Å; W78-R101 HydrophobicContact CH2-CG 4.44Å; W78-R101 HydrophobicContact CZ3-CG 4.41Å
79E97.6Very high96.2Very high44 Ų4465.5 Ų65.521%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-98.4134.8165.4-69.5-170.3-161.900109.2E69 Y70 N72 K75E69-E79 WeakPolarHBondContact CA-O 3.19Å; Y70-E79 HydrophobicContact CD2-CB 4.48Å; Y70-E79 HydrophobicContact CE1-CB 4.2Å; Y70-E79 HydrophobicContact CE2-CB 4.03Å; Y70-E79 PolarHBondContact N-O 2.86Å; Y70-E79 PolarHBondContact O-N 2.83Å; Y70-E79 PolarHBondContact OH-OE2 2.95Å; N72-E79 HydrophobicContact CB-CG 4.14Å; N72-E79 PolarHBondContact ND2-OE1 2.6Å; K75-E79 WeakPolarHBondContact CD-OE1 3.27Å; K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 3.46Å; K75-E79 PolarHBondContact NZ-OE1 2.84Å
80I97.5Very high96.1Very high101 Ų10164.4 Ų64.452%0.51831%0.314SS..EExtended strand (participates in β ladder)trans-126.7128.8-175.5-58.7176.8000107.9Q67 L68 E69Q67-I80 HydrophobicContact CG-CG2 3.83Å; L68-I80 WeakPolarHBondContact O-CA 3.36Å; E69-I80 HydrophobicContact CB-CG1 4.3Å; E69-I80 HydrophobicContact CG-CG1 4.03Å; E69-I80 HydrophobicContact CG-CG2 4.24Å
81L97.5Very high96Very high37 Ų3764.6 Ų64.619%0.19432%0.315CS..EExtended strand (participates in β ladder)trans-140.1153.5176.766.791.2000111.8Q67 L68 Y70 T83 Y88Q67-L81 WeakPolarHBondContact CA-O 3.37Å; L68-L81 HydrophobicContact CB-CD1 4.04Å; L68-L81 HydrophobicContact CB-CG 4.14Å; L68-L81 HydrophobicContact CD2-CD1 4.32Å; L68-L81 HydrophobicContact CD2-CD2 4.23Å; L68-L81 HydrophobicContact CD2-CG 4.37Å; L68-L81 HydrophobicContact CG-CG 4.49Å; L68-L81 PolarHBondContact N-O 3.16Å; L68-L81 PolarHBondContact O-N 2.6Å; Y70-L81 HydrophobicContact CE1-CD2 4.14Å; L81-T83 HydrophobicContact CD1-CG2 3.71Å; L81-Y88 HydrophobicContact CD1-CD2 4.29Å; L81-Y88 HydrophobicContact CD1-CE2 4.43Å; L81-Y88 HydrophobicContact CD2-CD1 4.11Å; L81-Y88 HydrophobicContact CD2-CD2 3.88Å; L81-Y88 HydrophobicContact CD2-CE1 3.69Å; L81-Y88 HydrophobicContact CD2-CE2 3.44Å; L81-Y88 VanDerWaalsContact CD2-CE2 3.44Å; L81-Y88 HydrophobicContact CD2-CG 4.19Å
82R96.4Very high96Very high143 Ų14362.3 Ų62.354%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-113.3132.7172.7-68.9-179.1-178.6168.40.7110.4Y66 Q67 I105Y66-R82 CarbonylContact O-C 3.59Å; Y66-R82 VanDerWaalsContact O-CA 3.27Å; Y66-R82 WeakPolarHBondContact O-CA 3.25Å; Q67-R82 HydrophobicContact CB-CG 4.17Å; Q67-R82 HydrophobicContact CG-CG 4.41Å; Q67-R82 VanDerWaalsContact OE1-CZ 3.26Å; R82-I105 HydrophobicContact CG-CD1 4.16Å
83T96.1Very high95.9Very high25 Ų2562 Ų6215%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-151.6144.8-175.4-173.30000112.2W50 Y66 L81 S85W50-T83 HydrophobicContact CH2-CG2 4.44Å; W50-T83 HydrophobicContact CZ2-CG2 4.17Å; Y66-T83 PolarHBondContact N-O 2.99Å; Y66-T83 PolarHBondContact O-N 3.22Å; L81-T83 HydrophobicContact CD1-CG2 3.71Å; T83-S85 VanDerWaalsContact OG1-CB 3.22Å; T83-S85 WeakPolarHBondContact OG1-CB 3.47Å; T83-S85 PolarHBondContact OG1-N 2.69Å
84P94.5Very high95.8Very high98 Ų9863 Ų6364%0.63631%0.31SS*.SBendtrans-80.2-6164.634.7-35.5000112.5
85S96.4Very high95.7Very high41 Ų4162.4 Ų62.429%0.28731%0.314SS..  trans-67150.5175.1-171.40000111.3W50 Y66 T83 T87W50-S85 WeakPolarHBondContact CZ2-O 3.25Å; Y66-S85 VanDerWaalsContact CD2-O 3.25Å; Y66-S85 WeakPolarHBondContact CD2-O 3.17Å; T83-S85 VanDerWaalsContact OG1-CB 3.22Å; T83-S85 WeakPolarHBondContact OG1-CB 3.47Å; T83-S85 PolarHBondContact OG1-N 2.69Å; S85-T87 WeakPolarHBondContact CB-O 3.28Å; S85-T87 PolarHBondContact OG-N 2.9Å; S85-T87 VanDerWaalsContact OG-N 3.13Å; S85-T87 PolarHBondContact OG-O 3.36Å
86R95.8Very high95.8Very high147 Ų14761.1 Ų61.156%0.55531%0.308SS*.SBendtrans-1018.8170.9-73.5179.1-66.5159.62113T49 W50 Y66T49-R86 WeakPolarHBondContact CA-O 3.45Å; W50-R86 PolarHBondContact N-O 2.99Å; W50-R86 VanDerWaalsContact N-O 3.08Å; W50-R86 WeakPolarHBondContact O-CB 3.36Å; Y66-R86 HydrophobicContact CE2-CG 3.95Å
87T97.4Very high95.8Very high63 Ų6357.9 Ų57.939%0.38729%0.291SS..EExtended strand (participates in β ladder)trans-146.1141.1-178.8-175.30000110.5I48 S85I48-T87 CarbonylContact O-C 3.53Å; I48-T87 VanDerWaalsContact O-CA 3.22Å; I48-T87 WeakPolarHBondContact O-CA 3.49Å; I48-T87 PolarHBondContact O-OG1 3.08Å; S85-T87 WeakPolarHBondContact CB-O 3.28Å; S85-T87 PolarHBondContact OG-N 2.9Å; S85-T87 VanDerWaalsContact OG-N 3.13Å; S85-T87 PolarHBondContact OG-O 3.36Å
88Y97.3Very high95.7Very high79 Ų7954.6 Ų54.631%0.3127%0.274SS..EExtended strand (participates in β ladder)trans-145.7135.6174.7-170.5-97000110.8I48 L68 Y70 L81 A90I48-Y88 WeakPolarHBondContact CB-O 3.22Å; I48-Y88 PolarHBondContact N-O 3.35Å; I48-Y88 PolarHBondContact O-N 3.25Å; L68-Y88 HydrophobicContact CD2-CD1 3.67Å; L68-Y88 HydrophobicContact CD2-CG 3.69Å; Y70-Y88 HydrophobicContact CE1-CD1 4.17Å; Y70-Y88 AromaticContact CE1-CE1 3.71Å; Y70-Y88 HydrophobicContact CE1-CE1 3.71Å; L81-Y88 HydrophobicContact CD1-CD2 4.29Å; L81-Y88 HydrophobicContact CD1-CE2 4.43Å; L81-Y88 HydrophobicContact CD2-CD1 4.11Å; L81-Y88 HydrophobicContact CD2-CD2 3.88Å; L81-Y88 HydrophobicContact CD2-CE1 3.69Å; L81-Y88 HydrophobicContact CD2-CE2 3.44Å; L81-Y88 VanDerWaalsContact CD2-CE2 3.44Å; L81-Y88 HydrophobicContact CD2-CG 4.19Å; Y88-A90 HydrophobicContact CD1-CB 4.11Å; Y88-A90 HydrophobicContact CE1-CB 3.98Å
89G95.4Very high95.7Very high26 Ų2652.6 Ų52.627%0.26827%0.268SS..EExtended strand (participates in β ladder)trans-101.9116178.200000111.7Q45 M46Q45-G89 VanDerWaalsContact NE2-C 3.27Å; Q45-G89 PolarHBondContact NE2-O 2.88Å; M46-G89 WeakPolarHBondContact O-CA 3.5Å
90A95.4Very high95.8Very high4 Ų450.7 Ų50.73%0.03326%0.259CS..EExtended strand (participates in β ladder)trans-125.8150.5179.400000111.3Q45 M46 I48 Y70 Y88 F92Q45-A90 VanDerWaalsContact OE1-C 3.25Å; Q45-A90 PolarHBondContact OE1-O 3.07Å; M46-A90 PolarHBondContact N-O 3.32Å; M46-A90 PolarHBondContact O-N 2.91Å; I48-A90 HydrophobicContact CD1-CB 4.33Å; Y70-A90 HydrophobicContact CD2-CB 4.37Å; Y70-A90 HydrophobicContact CE1-CB 4.2Å; Y70-A90 HydrophobicContact CE2-CB 3.89Å; Y88-A90 HydrophobicContact CD1-CB 4.11Å; Y88-A90 HydrophobicContact CE1-CB 3.98Å; A90-F92 HydrophobicContact CB-CE2 3.73Å; A90-F92 HydrophobicContact CB-CZ 3.83Å
91Q95.8Very high95.8Very high12 Ų1249.7 Ų49.76%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-95.1130.7174.3-165.599.916.400111R42 L43 G44 Q45 Y74 Y209R42-Q91 PolarHBondContact O-NE2 3.45Å; L43-Q91 VanDerWaalsContact C-NE2 3.29Å; L43-Q91 PolarHBondContact O-NE2 2.88Å; G44-Q91 WeakPolarHBondContact O-CA 3.45Å; Q45-Q91 VanDerWaalsContact N-NE2 3.14Å; Y74-Q91 HydrophobicContact CE2-CG 3.94Å; Q91-Y209 HydrophobicContact CB-CE1 4.03Å; Q91-Y209 HydrophobicContact CB-CE2 4.21Å; Q91-Y209 VanDerWaalsContact CD-CD2 3.48Å; Q91-Y209 HydrophobicContact CG-CD1 3.72Å; Q91-Y209 HydrophobicContact CG-CD2 4.12Å; Q91-Y209 HydrophobicContact CG-CE1 3.46Å; Q91-Y209 VanDerWaalsContact CG-CE1 3.46Å; Q91-Y209 HydrophobicContact CG-CE2 3.88Å; Q91-Y209 HydrophobicContact CG-CG 4.03Å
92F95.9Very high95.8Very high0 Ų048 Ų480%024%0.24CC..  trans-118.1167.1170.3-56.8-80.7000111.5G44 M46 I48 Y70 T73 Y74 A90 P94 V98 I100G44-F92 WeakPolarHBondContact CA-O 3.27Å; G44-F92 PolarHBondContact O-N 3.26Å; M46-F92 HydrophobicContact CB-CD2 4.05Å; M46-F92 HydrophobicContact CB-CE2 4.24Å; M46-F92 HydrophobicContact CE-CB 4.29Å; M46-F92 HydrophobicContact CG-CD2 3.99Å; M46-F92 HydrophobicContact SD-CB 4.49Å; M46-F92 HydrophobicContact SD-CD2 3.71Å; M46-F92 HydrophobicContact SD-CE2 4.41Å; M46-F92 HydrophobicContact SD-CG 4.41Å; I48-F92 HydrophobicContact CD1-CE2 4.27Å; I48-F92 HydrophobicContact CD1-CZ 4.15Å; Y70-F92 AromaticContact CD2-CE1 3.68Å; Y70-F92 HydrophobicContact CD2-CE1 3.68Å; Y70-F92 AromaticContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CE2-CE1 4.47Å; Y70-F92 HydrophobicContact CE2-CZ 4.49Å; Y70-F92 HydrophobicContact CG-CE1 4.26Å; Y70-F92 HydrophobicContact CG-CZ 4.09Å; T73-F92 HydrophobicContact CG2-CD1 4.28Å; T73-F92 WeakPolarHBondContact OG1-CA 3.48Å; Y74-F92 WeakPolarHBondContact CE2-O 3.18Å; Y74-F92 PolarHBondContact OH-O 2.88Å; A90-F92 HydrophobicContact CB-CE2 3.73Å; A90-F92 HydrophobicContact CB-CZ 3.83Å; F92-P94 WeakPolarHBondContact O-CD 3.48Å; F92-V98 HydrophobicContact CB-CG2 3.67Å; F92-V98 HydrophobicContact CD1-CB 4.33Å; F92-V98 HydrophobicContact CD1-CG1 3.61Å; F92-V98 HydrophobicContact CD1-CG2 3.98Å; F92-V98 HydrophobicContact CD2-CG1 3.98Å; F92-V98 HydrophobicContact CD2-CG2 4.43Å; F92-V98 HydrophobicContact CE1-CG1 3.62Å; F92-V98 HydrophobicContact CE2-CG1 3.99Å; F92-V98 HydrophobicContact CG-CB 4.42Å; F92-V98 HydrophobicContact CG-CG1 3.79Å; F92-V98 HydrophobicContact CG-CG2 3.76Å; F92-V98 HydrophobicContact CZ-CG1 3.82Å; F92-I100 HydrophobicContact CZ-CD1 4.29Å; F92-I100 HydrophobicContact CZ-CG1 4.33Å
93D94.9Very high95.9Very high6 Ų643 Ų433%0.03222%0.222CC..  trans-91.2108.5169.4175.5-14.1000107.8T73 Y74 S95 K96T73-D93 WeakPolarHBondContact OG1-CB 3.46Å; T73-D93 PolarHBondContact OG1-N 3.37Å; Y74-D93 HydrophobicContact CE1-CB 4.02Å; Y74-D93 HydrophobicContact CE2-CB 4.22Å; D93-S95 PolarHBondContact O-N 2.88Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 2.91Å; D93-S95 PolarHBondContact OD1-OG 3.12Å; D93-K96 HydrophobicContact CB-CD 4.05Å; D93-K96 HydrophobicContact CB-CG 4.39Å; D93-K96 PolarHBondContact O-N 3.03Å; D93-K96 WeakPolarHBondContact OD2-CD 3.43Å; D93-K96 WeakPolarHBondContact OD2-CE 3.41Å; D93-K96 IonicContact OD2-NZ 2.67Å; D93-K96 PolarHBondContact OD2-NZ 3.36Å
94P93.1Very high95.9Very high26 Ų2641.8 Ų41.817%0.16921%0.214CC..THydrogen-bonded Turntrans-65.81.5-176.7-21.734.6000115.1F92 P128 F225F92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-P128 VanDerWaalsContact O-CB 3.28Å; P94-P128 WeakPolarHBondContact O-CB 3.4Å; P94-F225 HydrophobicContact CB-CD2 4.39Å; P94-F225 HydrophobicContact CB-CE1 4.27Å; P94-F225 HydrophobicContact CB-CE2 3.85Å; P94-F225 HydrophobicContact CB-CZ 3.79Å; P94-F225 HydrophobicContact CG-CD1 4.12Å; P94-F225 HydrophobicContact CG-CD2 4.47Å; P94-F225 HydrophobicContact CG-CE1 3.8Å; P94-F225 HydrophobicContact CG-CE2 4.2Å; P94-F225 HydrophobicContact CG-CG 4.45Å; P94-F225 HydrophobicContact CG-CZ 3.85Å
95S91.9Very high95.8Very high44 Ų4437.2 Ų37.231%0.30818%0.184SC..THydrogen-bonded Turntrans-96-2.6172.174.70000114.6D93 P128D93-S95 PolarHBondContact O-N 2.88Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 2.91Å; D93-S95 PolarHBondContact OD1-OG 3.12Å; S95-P128 WeakPolarHBondContact O-CG 3.4Å
96K93.7Very high95.6Very high93 Ų9335.9 Ų35.940%0.40417%0.174SC..SBendtrans-119.5164.8-178.5-66.7173.7-177.4139.30112.3T73 D93T73-K96 HydrophobicContact CG2-CB 4.11Å; T73-K96 HydrophobicContact CG2-CD 4.34Å; T73-K96 PolarHBondContact O-NZ 3.17Å; D93-K96 HydrophobicContact CB-CD 4.05Å; D93-K96 HydrophobicContact CB-CG 4.39Å; D93-K96 PolarHBondContact O-N 3.03Å; D93-K96 WeakPolarHBondContact OD2-CD 3.43Å; D93-K96 WeakPolarHBondContact OD2-CE 3.41Å; D93-K96 IonicContact OD2-NZ 2.67Å; D93-K96 PolarHBondContact OD2-NZ 3.36Å
97D95.1Very high95.2Very high56 Ų5633.3 Ų33.330%0.29917%0.171SC..  trans-68.7134.4170.8-75.821.8000109.8L126 K127 P128D97-L126 CarbonylContact C-O 3.46Å; D97-L126 VanDerWaalsContact CA-O 3.31Å; D97-L126 WeakPolarHBondContact CA-O 3.31Å; D97-K127 WeakPolarHBondContact OD2-CE 3.44Å; D97-P128 WeakPolarHBondContact OD1-CD 3.19Å
98V95.3Very high94.5Very high4 Ų431.3 Ų31.32%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-104.4117.5177.7175.70000108.9M46 F92 I100 I125 L126M46-V98 HydrophobicContact CE-CG2 4.33Å; M46-V98 HydrophobicContact SD-CG2 4.44Å; F92-V98 HydrophobicContact CB-CG2 3.67Å; F92-V98 HydrophobicContact CD1-CB 4.33Å; F92-V98 HydrophobicContact CD1-CG1 3.61Å; F92-V98 HydrophobicContact CD1-CG2 3.98Å; F92-V98 HydrophobicContact CD2-CG1 3.98Å; F92-V98 HydrophobicContact CD2-CG2 4.43Å; F92-V98 HydrophobicContact CE1-CG1 3.62Å; F92-V98 HydrophobicContact CE2-CG1 3.99Å; F92-V98 HydrophobicContact CG-CB 4.42Å; F92-V98 HydrophobicContact CG-CG1 3.79Å; F92-V98 HydrophobicContact CG-CG2 3.76Å; F92-V98 HydrophobicContact CZ-CG1 3.82Å; V98-I100 HydrophobicContact CG1-CD1 3.85Å; V98-I100 HydrophobicContact CG1-CG1 4.18Å; V98-I125 VanDerWaalsContact O-CA 3.32Å; V98-I125 WeakPolarHBondContact O-CA 3.38Å; V98-L126 HydrophobicContact CB-CB 4.19Å; V98-L126 PolarHBondContact N-O 3Å; V98-L126 PolarHBondContact O-N 2.88Å
99H97.3Very high93.7Very high56 Ų5636 Ų3626%0.25919%0.188SC..EExtended strand (participates in β ladder)trans-109.4125.8-179.4-57.6-91.6000110.5Y70 F71 W78Y70-H99 VanDerWaalsContact CA-O 3.31Å; Y70-H99 WeakPolarHBondContact CA-O 3.36Å; F71-H99 HydrophobicContact CB-CB 4.08Å; F71-H99 PolarHBondContact N-O 2.87Å; W78-H99 HydrophobicContact CH2-CB 3.76Å; W78-H99 HydrophobicContact CZ2-CB 4.25Å
100I98.1Very high93.1Very high3 Ų337.2 Ų37.22%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-134.5141-179.1-67.9157.5000109.4L35 V37 I48 L68 E69 F92 V98 V102 E123 M124L35-I100 HydrophobicContact CD1-CG2 4.27Å; L35-I100 HydrophobicContact CD2-CG2 4.22Å; V37-I100 HydrophobicContact CG2-CD1 3.5Å; V37-I100 VanDerWaalsContact CG2-CD1 3.5Å; I48-I100 HydrophobicContact CD1-CD1 3.66Å; I48-I100 HydrophobicContact CD1-CG1 3.98Å; I48-I100 HydrophobicContact CD1-CG2 4.47Å; I48-I100 HydrophobicContact CG1-CD1 3.85Å; I48-I100 HydrophobicContact CG2-CD1 4.32Å; I48-I100 HydrophobicContact CG2-CG2 4.02Å; L68-I100 HydrophobicContact CD1-CG2 3.78Å; E69-I100 CarbonylContact O-C 3.5Å; E69-I100 WeakPolarHBondContact O-CA 3.5Å; F92-I100 HydrophobicContact CZ-CD1 4.29Å; F92-I100 HydrophobicContact CZ-CG1 4.33Å; V98-I100 HydrophobicContact CG1-CD1 3.85Å; V98-I100 HydrophobicContact CG1-CG1 4.18Å; I100-V102 HydrophobicContact CG2-CG2 4.32Å; I100-E123 CarbonylContact O-C 3.6Å; I100-E123 VanDerWaalsContact O-CA 3.23Å; I100-E123 WeakPolarHBondContact O-CA 3.27Å; I100-E123 WeakPolarHBondContact O-CB 3.19Å; I100-M124 PolarHBondContact N-O 2.95Å; I100-M124 PolarHBondContact O-N 3.36Å
101R98.2Very high92.6Very high80 Ų8037.7 Ų37.730%0.30219%0.194SC..EExtended strand (participates in β ladder)trans-133.7142.9170.5-57.5-170.9166.31272110.4E69 W78 Y103 C121 T122 E123E69-R101 HydrophobicContact CB-CB 4.32Å; E69-R101 PolarHBondContact N-O 3.04Å; E69-R101 PolarHBondContact O-N 3.41Å; W78-R101 HydrophobicContact CH2-CG 4.44Å; W78-R101 HydrophobicContact CZ3-CG 4.41Å; R101-Y103 HydrophobicContact CB-CE2 4.14Å; R101-C121 HydrophobicContact CB-CB 4.36Å; R101-T122 WeakPolarHBondContact CA-O 3.45Å; R101-E123 HydrophobicContact CG-CB 3.84Å; R101-E123 IonicContact CZ-OE2 3.15Å; R101-E123 IonicContact NE-OE2 3.17Å; R101-E123 PolarHBondContact NE-OE2 2.84Å; R101-E123 IonicContact NH2-OE2 2.72Å; R101-E123 PolarHBondContact NH2-OE2 3.07Å; R101-E123 VanDerWaalsContact NH2-OE2 3.12Å
102V98.2Very high92Very high1 Ų143.7 Ų43.71%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-132.2131.9172.4-155.10000110.6P32 L35 W50 Q67 L68 I100 C121 T122P32-V102 WeakPolarHBondContact CD-O 3.31Å; P32-V102 HydrophobicContact CG-CB 4.04Å; P32-V102 HydrophobicContact CG-CG1 3.83Å; L35-V102 HydrophobicContact CD1-CG2 3.81Å; L35-V102 HydrophobicContact CD2-CG2 4.2Å; W50-V102 HydrophobicContact CD2-CG1 4.09Å; W50-V102 HydrophobicContact CD2-CG2 4.37Å; W50-V102 HydrophobicContact CE3-CG2 4.2Å; W50-V102 HydrophobicContact CG-CG1 4.39Å; W50-V102 HydrophobicContact CZ2-CG1 4.28Å; Q67-V102 WeakPolarHBondContact O-CA 3.24Å; L68-V102 HydrophobicContact CD1-CG2 4Å; I100-V102 HydrophobicContact CG2-CG2 4.32Å; V102-C121 WeakPolarHBondContact O-CA 3.46Å; V102-C121 WeakPolarHBondContact O-CB 3.49Å; V102-T122 PolarHBondContact N-O 2.88Å; V102-T122 PolarHBondContact O-N 2.82Å
103Y97.6Very high91.5Very high38 Ų3849.2 Ų49.215%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-113.6144.6176.1-59.9-103.7000109.8Y66 Q67 E69 R101 M117 S118 C121Y66-Y103 VanDerWaalsContact CA-O 3.27Å; Y66-Y103 WeakPolarHBondContact CA-O 3.17Å; Q67-Y103 PolarHBondContact N-O 2.99Å; Q67-Y103 PolarHBondContact O-N 2.88Å; E69-Y103 HydrophobicContact CG-CD2 4.48Å; E69-Y103 HydrophobicContact CG-CE2 4.18Å; R101-Y103 HydrophobicContact CB-CE2 4.14Å; Y103-M117 HydrophobicContact CD1-CE 3.75Å; Y103-M117 HydrophobicContact CD1-CG 4.46Å; Y103-M117 HydrophobicContact CD1-SD 4.38Å; Y103-M117 HydrophobicContact CE1-CE 4.09Å; Y103-M117 HydrophobicContact CG-CE 4.24Å; Y103-M117 HydrophobicContact CG-SD 4.35Å; Y103-S118 WeakPolarHBondContact CA-OG 3.49Å; Y103-C121 HydrophobicContact CD1-CB 3.77Å; Y103-C121 HydrophobicContact CD2-CB 3.97Å; Y103-C121 HydrophobicContact CE1-CB 3.58Å; Y103-C121 HydrophobicContact CE2-CB 3.76Å; Y103-C121 HydrophobicContact CG-CB 3.96Å
104T96Very high91.1Very high0 Ų052.5 Ų52.50%028%0.277CS..EExtended strand (participates in β ladder)trans-84.8138.7170.5-52.90000109.6V29 D30 P31 P32 P53 L56 P64 M117 S118V29-T104 HydrophobicContact CG1-CG2 4.28Å; V29-T104 HydrophobicContact CG2-CG2 3.73Å; D30-T104 WeakPolarHBondContact O-CB 3.25Å; D30-T104 PolarHBondContact O-OG1 2.91Å; P31-T104 WeakPolarHBondContact CA-OG1 3.36Å; P32-T104 WeakPolarHBondContact CD-OG1 3.4Å; P53-T104 HydrophobicContact CG-CG2 4.09Å; P53-T104 WeakPolarHBondContact CG-OG1 3.39Å; L56-T104 HydrophobicContact CD1-CG2 4.05Å; P64-T104 HydrophobicContact CB-CG2 4.22Å; T104-M117 CarbonylContact O-C 3.58Å; T104-M117 VanDerWaalsContact O-CA 3.28Å; T104-M117 WeakPolarHBondContact O-CA 3.46Å; T104-M117 WeakPolarHBondContact O-CG 3.46Å; T104-S118 PolarHBondContact N-OG 2.93Å; T104-S118 PolarHBondContact O-N 3.01Å
105I93.8Very high90.9Very high2 Ų255.8 Ų55.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-123.3132.1172.9-70.2168.7000109.4P64 Q65 Q67 R82 M115 I116 M117P64-I105 WeakPolarHBondContact CA-O 3.44Å; Q65-I105 HydrophobicContact CB-CB 4.16Å; Q65-I105 HydrophobicContact CB-CG2 4.28Å; Q65-I105 PolarHBondContact N-O 2.88Å; Q65-I105 PolarHBondContact O-N 2.9Å; Q67-I105 HydrophobicContact CB-CD1 3.76Å; R82-I105 HydrophobicContact CG-CD1 4.16Å; I105-M115 HydrophobicContact CD1-CE 3.75Å; I105-M115 HydrophobicContact CG1-CE 4.01Å; I105-M115 HydrophobicContact CG2-CE 3.72Å; I105-M115 HydrophobicContact CG2-CG 4.32Å; I105-I116 CarbonylContact C-O 3.58Å; I105-I116 WeakPolarHBondContact CA-O 2.94Å; I105-M117 HydrophobicContact CD1-SD 4.36Å; I105-M117 HydrophobicContact CG1-CB 4.22Å; I105-M117 HydrophobicContact CG1-CG 3.78Å; I105-M117 HydrophobicContact CG1-SD 4.22Å
106L91.5Very high90.9Very high14 Ų1455 Ų557%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-117.2147.7168.7-65.9178.2000110.3V29 L56 C62 P64 T111 I116V29-L106 HydrophobicContact CB-CD1 3.93Å; V29-L106 HydrophobicContact CB-CG 4.43Å; V29-L106 HydrophobicContact CG2-CD1 3.68Å; V29-L106 HydrophobicContact CG2-CG 4.06Å; L56-L106 HydrophobicContact CD1-CD2 3.91Å; L56-L106 HydrophobicContact CD2-CD1 4.22Å; L56-L106 HydrophobicContact CD2-CD2 4.38Å; C62-L106 HydrophobicContact CB-CD2 4.25Å; P64-L106 HydrophobicContact CB-CD2 4.21Å; L106-T111 HydrophobicContact CB-CG2 3.49Å; L106-T111 VanDerWaalsContact CB-CG2 3.49Å; L106-T111 HydrophobicContact CD1-CG2 4.14Å; L106-T111 HydrophobicContact CG-CG2 4.48Å; L106-I116 PolarHBondContact N-O 3.2Å; L106-I116 PolarHBondContact O-N 2.86Å
107N86.8Confident90.9Very high92 Ų9254 Ų5449%0.49228%0.281SS..  trans-157.9163.4179.4-166.713.2000110.7C110 T111N107-C110 PolarHBondContact O-SG 2.96Å; N107-C110 VanDerWaalsContact O-SG 3.32Å; N107-T111 WeakPolarHBondContact CA-OG1 3.37Å
108G82.9Confident90.8Very high21 Ų2151.4 Ų51.422%0.21627%0.267CS..SBendtrans84.2-155.2178.800000113.4C110 T111 N112 N113G108-C110 VanDerWaalsContact C-N 3.26Å; G108-C110 PolarHBondContact O-N 3.18Å; G108-T111 CarbonylContact O-C 3.54Å; G108-T111 PolarHBondContact O-N 2.77Å; G108-T111 PolarHBondContact O-OG1 2.99Å; G108-N112 PolarHBondContact O-N 2.75Å; G108-N113 VanDerWaalsContact C-OD1 3.32Å; G108-N113 WeakPolarHBondContact CA-OD1 3.09Å; G108-N113 WeakPolarHBondContact O-CA 3.4Å; G108-N113 PolarHBondContact O-N 3.21Å
109E81.5Confident90.7Very high178 Ų17859 Ų5983%0.83230%0.302SS*.G310 helixtrans-57-37.6-170.5-62.4176.3166.700113T111 N112E109-T111 PolarHBondContact O-N 2.61Å; E109-N112 PolarHBondContact O-N 3.45Å
110C82.5Confident90.5Very high51 Ų5162 Ų6235%0.34532%0.32SS..G310 helixtrans-59.6-19.3177.968.90000115C62 N107 G108C62-C110 HydrophobicContact CB-CB 4.27Å; C62-C110 WeakPolarHBondContact SG-CB 3.22Å; N107-C110 PolarHBondContact O-SG 2.96Å; N107-C110 VanDerWaalsContact O-SG 3.32Å; G108-C110 VanDerWaalsContact C-N 3.26Å; G108-C110 PolarHBondContact O-N 3.18Å
111T83.9Confident90.4Very high14 Ų1463.5 Ų63.59%0.08633%0.331CS..G310 helixtrans-12223.717749.60000111.9L106 N107 G108 E109 N113 T114 I116L106-T111 HydrophobicContact CB-CG2 3.49Å; L106-T111 VanDerWaalsContact CB-CG2 3.49Å; L106-T111 HydrophobicContact CD1-CG2 4.14Å; L106-T111 HydrophobicContact CG-CG2 4.48Å; N107-T111 WeakPolarHBondContact CA-OG1 3.37Å; G108-T111 CarbonylContact O-C 3.54Å; G108-T111 PolarHBondContact O-N 2.77Å; G108-T111 PolarHBondContact O-OG1 2.99Å; E109-T111 PolarHBondContact O-N 2.61Å; T111-N113 PolarHBondContact O-N 3.45Å; T111-T114 WeakPolarHBondContact CB-O 3.42Å; T111-T114 WeakPolarHBondContact O-CB 2.97Å; T111-T114 PolarHBondContact O-N 3.49Å; T111-T114 PolarHBondContact O-OG1 2.83Å; T111-T114 PolarHBondContact OG1-O 3.27Å; T111-I116 HydrophobicContact CG2-CB 4.28Å; T111-I116 HydrophobicContact CG2-CD1 3.58Å; T111-I116 HydrophobicContact CG2-CG1 4.1Å
112N84.7Confident90.4Very high138 Ų13861.5 Ų61.574%0.73833%0.327SS*.THydrogen-bonded Turntrans51.641.1-176-166.629.6000112.6G108 E109 T114G108-N112 PolarHBondContact O-N 2.75Å; E109-N112 PolarHBondContact O-N 3.45Å; N112-T114 PolarHBondContact O-N 2.02Å
113N83.8Confident90.3Very high117 Ų11766.4 Ų66.463%0.62635%0.35SS*.THydrogen-bonded Turntrans59.919.8-175.8-59.2-53.8000115.6G108 T111G108-N113 VanDerWaalsContact C-OD1 3.32Å; G108-N113 WeakPolarHBondContact CA-OD1 3.09Å; G108-N113 WeakPolarHBondContact O-CA 3.4Å; G108-N113 PolarHBondContact O-N 3.21Å; T111-N113 PolarHBondContact O-N 3.45Å
114T87.1Confident90.3Very high74 Ų7467.4 Ų67.445%0.45436%0.357SS..  trans-93.2140.316866.60000110.6T111 N112T111-T114 WeakPolarHBondContact CB-O 3.42Å; T111-T114 WeakPolarHBondContact O-CB 2.97Å; T111-T114 PolarHBondContact O-N 3.49Å; T111-T114 PolarHBondContact O-OG1 2.83Å; T111-T114 PolarHBondContact OG1-O 3.27Å; N112-T114 PolarHBondContact O-N 2.02Å
115M89.1Confident90.3Very high95 Ų9571.6 Ų71.647%0.46838%0.378SS..  trans-81.2119.8171.2-177-173167.900108.9I105I105-M115 HydrophobicContact CD1-CE 3.75Å; I105-M115 HydrophobicContact CG1-CE 4.01Å; I105-M115 HydrophobicContact CG2-CE 3.72Å; I105-M115 HydrophobicContact CG2-CG 4.32Å
116I91.4Very high90.3Very high28 Ų2874.1 Ų74.114%0.14439%0.391CS..EExtended strand (participates in β ladder)trans-113.6135.8176.9-64.1173.7000108.4I27 V29 I105 L106 T111I27-I116 VanDerWaalsContact O-CD1 3.22Å; I27-I116 WeakPolarHBondContact O-CD1 3.44Å; I27-I116 VanDerWaalsContact O-CG2 3.25Å; I27-I116 WeakPolarHBondContact O-CG2 3.44Å; V29-I116 HydrophobicContact CB-CG2 4.49Å; V29-I116 HydrophobicContact CG1-CG2 4Å; I105-I116 CarbonylContact C-O 3.58Å; I105-I116 WeakPolarHBondContact CA-O 2.94Å; L106-I116 PolarHBondContact N-O 3.2Å; L106-I116 PolarHBondContact O-N 2.86Å; T111-I116 HydrophobicContact CG2-CB 4.28Å; T111-I116 HydrophobicContact CG2-CD1 3.58Å; T111-I116 HydrophobicContact CG2-CG1 4.1Å
117M93.5Very high90.4Very high72 Ų7281.1 Ų81.136%0.35542%0.421SS..EExtended strand (participates in β ladder)trans-121.9149.5172.6-167.517386.700109.3Y103 T104 I105 E119Y103-M117 HydrophobicContact CD1-CE 3.75Å; Y103-M117 HydrophobicContact CD1-CG 4.46Å; Y103-M117 HydrophobicContact CD1-SD 4.38Å; Y103-M117 HydrophobicContact CE1-CE 4.09Å; Y103-M117 HydrophobicContact CG-CE 4.24Å; Y103-M117 HydrophobicContact CG-SD 4.35Å; T104-M117 CarbonylContact O-C 3.58Å; T104-M117 VanDerWaalsContact O-CA 3.28Å; T104-M117 WeakPolarHBondContact O-CA 3.46Å; T104-M117 WeakPolarHBondContact O-CG 3.46Å; I105-M117 HydrophobicContact CD1-SD 4.36Å; I105-M117 HydrophobicContact CG1-CB 4.22Å; I105-M117 HydrophobicContact CG1-CG 3.78Å; I105-M117 HydrophobicContact CG1-SD 4.22Å; M117-E119 PolarHBondContact O-N 2.85Å
118S94.3Very high90.6Very high2 Ų278.5 Ų78.51%0.01441%0.409CS..  trans-62.9131.617461.30000110.7V29 Y103 T104 N120V29-S118 WeakPolarHBondContact O-CA 3.47Å; V29-S118 WeakPolarHBondContact O-CB 3.15Å; Y103-S118 WeakPolarHBondContact CA-OG 3.49Å; T104-S118 PolarHBondContact N-OG 2.93Å; T104-S118 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 CarbonylContact C-O 3.55Å; S118-N120 VanDerWaalsContact CB-O 3.27Å; S118-N120 WeakPolarHBondContact CB-O 3.23Å; S118-N120 PolarHBondContact OG-O 3Å
119E92.2Very high90.6Very high164 Ų16481.3 Ų81.377%0.76642%0.424SS*.SBendtrans-65.8-40.3179.2-62.5-179.6160.400111.2M117M117-E119 PolarHBondContact O-N 2.85Å
120N94.1Very high90.3Very high119 Ų11979 Ų7964%0.63643%0.428SS*.SBendtrans-88.6162.3169.4-66.9-44.6000110.8P31 S118P31-N120 HydrophobicContact CG-CB 4.38Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 CarbonylContact C-O 3.55Å; S118-N120 VanDerWaalsContact CB-O 3.27Å; S118-N120 WeakPolarHBondContact CB-O 3.23Å; S118-N120 PolarHBondContact OG-O 3Å
121C95.9Very high90.3Very high34 Ų3480.5 Ų80.523%0.2344%0.435CS..  trans-118.4162.7165.568.10000110.2R101 V102 Y103R101-C121 HydrophobicContact CB-CB 4.36Å; V102-C121 WeakPolarHBondContact O-CA 3.46Å; V102-C121 WeakPolarHBondContact O-CB 3.49Å; Y103-C121 HydrophobicContact CD1-CB 3.77Å; Y103-C121 HydrophobicContact CD2-CB 3.97Å; Y103-C121 HydrophobicContact CE1-CB 3.58Å; Y103-C121 HydrophobicContact CE2-CB 3.76Å; Y103-C121 HydrophobicContact CG-CB 3.96Å
122T97.2Very high90.5Very high38 Ų3880.9 Ų80.923%0.23344%0.441CS..EExtended strand (participates in β ladder)trans-94.9119162.2-61.90000107.2P32 L35 R101 V102P32-T122 VanDerWaalsContact O-CB 3.25Å; P32-T122 WeakPolarHBondContact O-CB 3.21Å; P32-T122 PolarHBondContact O-OG1 3.13Å; L35-T122 HydrophobicContact CB-CG2 3.59Å; L35-T122 HydrophobicContact CD2-CG2 3.98Å; L35-T122 WeakPolarHBondContact CD2-O 3.46Å; L35-T122 HydrophobicContact CG-CG2 4.45Å; R101-T122 WeakPolarHBondContact CA-O 3.45Å; V102-T122 PolarHBondContact N-O 2.88Å; V102-T122 PolarHBondContact O-N 2.82Å
123E97.1Very high90.8Very high104 Ų10477 Ų7749%0.48642%0.42SS..EExtended strand (participates in β ladder)trans-117.2150.9-177.870.3172.9-169.600112.8I100 R101I100-E123 CarbonylContact O-C 3.6Å; I100-E123 VanDerWaalsContact O-CA 3.23Å; I100-E123 WeakPolarHBondContact O-CA 3.27Å; I100-E123 WeakPolarHBondContact O-CB 3.19Å; R101-E123 HydrophobicContact CG-CB 3.84Å; R101-E123 IonicContact CZ-OE2 3.15Å; R101-E123 IonicContact NE-OE2 3.17Å; R101-E123 PolarHBondContact NE-OE2 2.84Å; R101-E123 IonicContact NH2-OE2 2.72Å; R101-E123 PolarHBondContact NH2-OE2 3.07Å; R101-E123 VanDerWaalsContact NH2-OE2 3.12Å
124M96.6Very high91.2Very high59 Ų5978 Ų7829%0.29143%0.425SS..EExtended strand (participates in β ladder)trans-136136.3176.8-163.9-177.4-152.300109.6L35 V37 I100 L126L35-M124 HydrophobicContact CD2-CB 3.79Å; L35-M124 HydrophobicContact CG-CB 4.23Å; V37-M124 HydrophobicContact CB-SD 4.18Å; V37-M124 HydrophobicContact CG2-SD 3.62Å; I100-M124 PolarHBondContact N-O 2.95Å; I100-M124 PolarHBondContact O-N 3.36Å; M124-L126 HydrophobicContact CE-CD2 3.72Å; M124-L126 HydrophobicContact CG-CD2 4.33Å; M124-L126 HydrophobicContact SD-CD2 3.93Å; M124-L126 HydrophobicContact SD-CG 4.38Å
125I96.4Very high91.3Very high87 Ų8775.2 Ų75.245%0.44641%0.411SS..EExtended strand (participates in β ladder)trans-123.5106.9172.2-54.6179.4000108V98V98-I125 VanDerWaalsContact O-CA 3.32Å; V98-I125 WeakPolarHBondContact O-CA 3.38Å
126L94Very high91.5Very high55 Ų5570.8 Ų70.829%0.28839%0.39SS..EExtended strand (participates in β ladder)trans-87.1134.3169.7-56176.6000109.1V37 M46 D97 V98 M124V37-L126 HydrophobicContact CB-CD1 3.92Å; V37-L126 HydrophobicContact CG1-CD1 3.73Å; V37-L126 HydrophobicContact CG2-CD1 4.47Å; M46-L126 HydrophobicContact SD-CD1 4.25Å; D97-L126 CarbonylContact C-O 3.46Å; D97-L126 VanDerWaalsContact CA-O 3.31Å; D97-L126 WeakPolarHBondContact CA-O 3.31Å; V98-L126 HydrophobicContact CB-CB 4.19Å; V98-L126 PolarHBondContact N-O 3Å; V98-L126 PolarHBondContact O-N 2.88Å; M124-L126 HydrophobicContact CE-CD2 3.72Å; M124-L126 HydrophobicContact CG-CD2 4.33Å; M124-L126 HydrophobicContact SD-CD2 3.93Å; M124-L126 HydrophobicContact SD-CG 4.38Å
127K93.4Very high91.6Very high162 Ų16271.7 Ų71.770%0.70439%0.393SS*.PPolyproline II helixtrans-97.8142170.5-62.5-161.8170.1-1730110.2D97D97-K127 WeakPolarHBondContact OD2-CE 3.44Å
128P89.9Confident91.7Very high36 Ų3668.5 Ų68.523%0.23438%0.378CS..PPolyproline II helixtrans-66.9146.9-17829.6-35.2000110P94 S95 D97 S130P94-P128 VanDerWaalsContact O-CB 3.28Å; P94-P128 WeakPolarHBondContact O-CB 3.4Å; S95-P128 WeakPolarHBondContact O-CG 3.4Å; D97-P128 WeakPolarHBondContact OD1-CD 3.19Å; P128-S130 PolarHBondContact O-N 2.87Å
129P83.7Confident91.6Very high80 Ų8072.4 Ų72.452%0.51940%0.395SS..PPolyproline II helixtrans-61.2133.5178.225.2-33.5000110.7T131P129-T131 HydrophobicContact CB-CG2 4.12Å; P129-T131 PolarHBondContact O-N 3.02Å; P129-T131 PolarHBondContact O-OG1 2.89Å
130S75.8Confident91.8Very high131 Ų13168.2 Ų68.292%0.91639%0.389SS*.  trans-77.654.9176.8-1600000111.5P128P128-S130 PolarHBondContact O-N 2.87Å
131T82.8Confident91.9Very high82 Ų8264 Ų6450%0.50336%0.364SS..  trans-103.3144.4-179.449.50000111P129 K222P129-T131 HydrophobicContact CB-CG2 4.12Å; P129-T131 PolarHBondContact O-N 3.02Å; P129-T131 PolarHBondContact O-OG1 2.89Å; T131-K222 WeakPolarHBondContact O-CD 3.38Å; T131-K222 PolarHBondContact O-NZ 3.39Å
132G88Confident92Very high21 Ų2165.6 Ų65.622%0.21637%0.37CS..SBendtrans94.5141.317400000114.9L134 P220G132-L134 PolarHBondContact O-N 3.15Å; G132-P220 WeakPolarHBondContact CA-O 3.35Å
133L90.9Very high91.9Very high56 Ų5663.8 Ų63.829%0.29336%0.359SS..BIsolated β-bridgetrans-64.5124.6-179.2-64.8168000111.7T136 E218 P220L133-T136 HydrophobicContact CB-CG2 3.63Å; L133-T136 WeakPolarHBondContact O-CB 3.4Å; L133-T136 WeakPolarHBondContact O-CG2 3.5Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.1Å; L133-E218 HydrophobicContact CD1-CB 3.73Å; L133-P220 PolarHBondContact N-O 2.89Å
134L91.1Very high91.9Very high138 Ų13860.1 Ų60.172%0.72334%0.344SS*.THydrogen-bonded Turntrans-63.8134.3-179.9-62.2177.1000111.9G132 K160G132-L134 PolarHBondContact O-N 3.15Å; L134-K160 WeakPolarHBondContact O-CD 3.38Å
135G90.1Very high91.7Very high17 Ų1757.8 Ų57.818%0.17533%0.332CS..THydrogen-bonded Turntrans87.85.7-17700000114.1E137 G158 L159 K160G135-E137 WeakPolarHBondContact CA-OE1 3.46Å; G135-E137 WeakPolarHBondContact CA-OE2 3.44Å; G135-E137 PolarHBondContact N-OE2 3.49Å; G135-G158 CarbonylContact O-C 3.56Å; G135-G158 WeakPolarHBondContact O-CA 3.46Å; G135-L159 PolarHBondContact O-N 3.22Å; G135-K160 PolarHBondContact O-N 3.46Å
136T94.1Very high91.5Very high2 Ų257 Ų571%0.01233%0.326CS..  trans-105.9-2.3178.271.70000114.3L133 K160 T161 Q167 L221 K222L133-T136 HydrophobicContact CB-CG2 3.63Å; L133-T136 WeakPolarHBondContact O-CB 3.4Å; L133-T136 WeakPolarHBondContact O-CG2 3.5Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.1Å; T136-K160 HydrophobicContact CG2-CB 4.24Å; T136-T161 VanDerWaalsContact CA-OG1 3.32Å; T136-T161 WeakPolarHBondContact CA-OG1 3.34Å; T136-T161 PolarHBondContact O-OG1 2.81Å; T136-T161 VanDerWaalsContact O-OG1 3.14Å; T136-Q167 PolarHBondContact O-NE2 3.41Å; T136-L221 HydrophobicContact CG2-CD2 4.21Å; T136-L221 WeakPolarHBondContact OG1-CA 3.3Å; T136-K222 PolarHBondContact OG1-N 3.13Å
137E92.9Very high91.2Very high46 Ų4655.3 Ų55.322%0.21532%0.317CS..SBendtrans-54.2147.4174.963.3-71.916000112.8G135 K139 G158 K222G135-E137 WeakPolarHBondContact CA-OE1 3.46Å; G135-E137 WeakPolarHBondContact CA-OE2 3.44Å; G135-E137 PolarHBondContact N-OE2 3.49Å; E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.85Å; E137-K139 PolarHBondContact OE1-NZ 2.99Å; E137-G158 WeakPolarHBondContact O-CA 3.48Å; E137-G158 PolarHBondContact O-N 2.97Å; E137-K222 WeakPolarHBondContact CA-O 3.34Å; E137-K222 HydrophobicContact CB-CB 4.17Å; E137-K222 HydrophobicContact CB-CG 4.27Å
138A94.6Very high90.9Very high5 Ų549 Ų494%0.04129%0.291CS..  trans-73.7139.7176.600000110.4W155 V212 T224A138-W155 HydrophobicContact CB-CB 4.47Å; A138-W155 HydrophobicContact CB-CG 4.39Å; A138-V212 HydrophobicContact CB-CB 3.79Å; A138-V212 HydrophobicContact CB-CG1 3.63Å; A138-V212 HydrophobicContact CB-CG2 4.41Å; A138-T224 PolarHBondContact N-OG1 3.45Å
139K93.6Very high90.7Very high85 Ų8552.1 Ų52.137%0.3730%0.302SS..EExtended strand (participates in β ladder)trans-128.4153.3-173.9-56.1-166.3-179.3-164.90111.2E137 F141 T156E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.85Å; E137-K139 PolarHBondContact OE1-NZ 2.99Å; K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.88Å; K139-T156 VanDerWaalsContact C-OG1 3.29Å; K139-T156 WeakPolarHBondContact CB-OG1 3.35Å; K139-T156 PolarHBondContact N-O 3.01Å; K139-T156 PolarHBondContact O-N 2.89Å; K139-T156 PolarHBondContact O-OG1 2.88Å
140A95.2Very high90.9Very high76 Ų7650.3 Ų50.363%0.62829%0.288SS*.EExtended strand (participates in β ladder)trans49.548.8-175.500000111.9I142A140-I142 PolarHBondContact O-N 2.98Å
141F97Very high91.7Very high29 Ų2944.4 Ų44.413%0.12725%0.246CC..EExtended strand (participates in β ladder)trans-69.1125.6169.6-177.7-98.5000108.8K139 C143 C153 S154 W155 L169 F210 V212 F226 L228K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.88Å; F141-C143 VanDerWaalsContact CZ-SG 3.57Å; F141-C153 HydrophobicContact CE2-CB 4.06Å; F141-C153 HydrophobicContact CZ-CB 4.03Å; F141-S154 WeakPolarHBondContact CA-O 3.44Å; F141-W155 HydrophobicContact CD2-CB 4.17Å; F141-W155 HydrophobicContact CD2-CE3 4.36Å; F141-W155 HydrophobicContact CE2-CE3 4.32Å; F141-L169 HydrophobicContact CE2-CD1 3.68Å; F141-L169 HydrophobicContact CZ-CD1 4.16Å; F141-F210 HydrophobicContact CE1-CB 4.11Å; F141-F210 HydrophobicContact CE1-CD2 4.34Å; F141-F210 HydrophobicContact CE1-CG 4.14Å; F141-F210 HydrophobicContact CZ-CB 3.85Å; F141-F210 AromaticContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD2 4.42Å; F141-F210 AromaticContact CZ-CG 3.84Å; F141-F210 HydrophobicContact CZ-CG 3.84Å; F141-V212 HydrophobicContact CD2-CG2 3.99Å; F141-V212 HydrophobicContact CE2-CG2 4.06Å; F141-F226 HydrophobicContact CB-CD1 4.07Å; F141-F226 HydrophobicContact CB-CD2 4.08Å; F141-F226 HydrophobicContact CB-CE1 3.59Å; F141-F226 HydrophobicContact CB-CE2 3.6Å; F141-F226 HydrophobicContact CB-CG 4.3Å; F141-F226 HydrophobicContact CB-CZ 3.33Å; F141-F226 HydrophobicContact CD1-CB 3.92Å; F141-F226 AromaticContact CD1-CD1 3.88Å; F141-F226 HydrophobicContact CD1-CD1 3.88Å; F141-F226 AromaticContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CD2 3.46Å; F141-F226 VanDerWaalsContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CE1 4.28Å; F141-F226 AromaticContact CD1-CE2 3.9Å; F141-F226 HydrophobicContact CD1-CE2 3.9Å; F141-F226 AromaticContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CG 3.45Å; F141-F226 VanDerWaalsContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CZ 4.29Å; F141-F226 HydrophobicContact CD2-CD2 4.13Å; F141-F226 AromaticContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CE1-CB 4.01Å; F141-F226 AromaticContact CE1-CD2 3.86Å; F141-F226 HydrophobicContact CE1-CD2 3.86Å; F141-F226 AromaticContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE2-CD2 4.5Å; F141-F226 HydrophobicContact CG-CD1 4.24Å; F141-F226 AromaticContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CE1 4.18Å; F141-F226 AromaticContact CG-CE2 3.54Å; F141-F226 HydrophobicContact CG-CE2 3.54Å; F141-F226 AromaticContact CG-CG 3.98Å; F141-F226 HydrophobicContact CG-CG 3.98Å; F141-F226 AromaticContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CZ-CD2 4.37Å; F141-L228 HydrophobicContact CD1-CD1 4.4Å; F141-L228 HydrophobicContact CE1-CD1 3.79Å
142I97Very high92.4Very high68 Ų6844 Ų4435%0.34924%0.239SC..EExtended strand (participates in β ladder)trans-146140.4-179.9-175.4170.5000108.8A140 V144 C153 S154 F323A140-I142 PolarHBondContact O-N 2.98Å; I142-V144 HydrophobicContact CG1-CG2 4.47Å; I142-C153 CarbonylContact O-C 3.56Å; I142-C153 VanDerWaalsContact O-CA 3.3Å; I142-C153 WeakPolarHBondContact O-CA 3.31Å; I142-S154 WeakPolarHBondContact CG2-OG 3.41Å; I142-S154 PolarHBondContact N-O 3.34Å; I142-S154 PolarHBondContact O-N 3.44Å; I142-F323 HydrophobicContact CD1-CE1 4.05Å; I142-F323 HydrophobicContact CD1-CZ 3.88Å; I142-F323 HydrophobicContact CG1-CZ 4.15Å
143C96.5Very high92.8Very high1 Ų143 Ų431%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-115.5146.9169.1-57.60000110F141 L151 E152 C153 L228 Q233 F323F141-C143 VanDerWaalsContact CZ-SG 3.57Å; C143-L151 HydrophobicContact CB-CD1 4.04Å; C143-E152 CarbonylContact C-O 3.49Å; C143-E152 WeakPolarHBondContact CA-O 3.28Å; C143-C153 HydrophobicContact CB-CB 4.09Å; C143-C153 WeakPolarHBondContact CB-SG 3.23Å; C143-C153 WeakPolarHBondContact SG-CB 3.43Å; C143-C153 CovalentContact SG-SG 2.04Å; C143-C153 PolarHBondContact SG-SG 2.92Å; C143-L228 HydrophobicContact CB-CD1 4.04Å; C143-Q233 PolarHBondContact O-OE1 2.89Å; C143-F323 WeakPolarHBondContact O-CE2 3.49Å
144V95.8Very high93.1Very high27 Ų2743 Ų4316%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-132.2119.8178-173.10000108.4I142 H146 E152 K235 F323I142-V144 HydrophobicContact CG1-CG2 4.47Å; V144-H146 WeakPolarHBondContact CG1-NE2 3.44Å; V144-H146 PolarHBondContact O-N 3.19Å; V144-E152 PolarHBondContact N-O 3.28Å; V144-E152 PolarHBondContact O-N 3.31Å; V144-K235 HydrophobicContact CG1-CB 3.46Å; V144-K235 VanDerWaalsContact CG1-CB 3.46Å; V144-K235 HydrophobicContact CG1-CD 4.45Å; V144-F323 HydrophobicContact CG1-CD2 4.22Å; V144-F323 HydrophobicContact CG1-CE2 4.43Å; V144-F323 HydrophobicContact CG2-CE2 4.11Å; V144-F323 HydrophobicContact CG2-CZ 4.49Å
145Y93.7Very high93.4Very high9 Ų936.8 Ų36.84%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-95.891.5178.5-168.1-162000108.7N147 M148 N150 L151 E204 I230 Q233 V234 K235Y145-N147 PolarHBondContact O-N 2.97Å; Y145-M148 HydrophobicContact CD1-CG 4.28Å; Y145-M148 HydrophobicContact CE1-CB 3.99Å; Y145-M148 HydrophobicContact CE1-CG 4.07Å; Y145-M148 VanDerWaalsContact CZ-C 3.45Å; Y145-M148 VanDerWaalsContact CZ-CA 3.48Å; Y145-M148 PolarHBondContact OH-O 2.85Å; Y145-M148 VanDerWaalsContact OH-O 3.1Å; Y145-N150 CarbonylContact C-O 3.55Å; Y145-L151 HydrophobicContact CD2-CB 4.2Å; Y145-L151 HydrophobicContact CD2-CD1 4.48Å; Y145-L151 HydrophobicContact CG-CD1 4.3Å; Y145-E204 HydrophobicContact CE1-CG 4.33Å; Y145-E204 WeakPolarHBondContact CE1-OE1 3.05Å; Y145-E204 PolarHBondContact OH-OE1 2.62Å; Y145-I230 HydrophobicContact CD1-CB 4.21Å; Y145-I230 HydrophobicContact CD1-CD1 4.4Å; Y145-I230 HydrophobicContact CE1-CD1 3.98Å; Y145-Q233 PolarHBondContact N-O 3.12Å; Y145-V234 HydrophobicContact CD1-CG2 3.74Å; Y145-V234 HydrophobicContact CG-CG2 4.25Å; Y145-V234 VanDerWaalsContact O-CA 3.3Å; Y145-V234 WeakPolarHBondContact O-CA 3.45Å; Y145-K235 PolarHBondContact O-N 3.14Å
146H91.3Very high93.6Very high72 Ų7239.6 Ų39.633%0.33321%0.214SC..EExtended strand (participates in β ladder)trans-69121-176.4-69.1-87.1000110.4V144 M148 E149 N150 K235V144-H146 WeakPolarHBondContact CG1-NE2 3.44Å; V144-H146 PolarHBondContact O-N 3.19Å; H146-M148 PolarHBondContact O-N 2.97Å; H146-E149 PolarHBondContact O-N 2.8Å; H146-N150 PolarHBondContact N-O 2.75Å; H146-N150 PolarHBondContact O-N 2.95Å; H146-N150 VanDerWaalsContact O-N 3.16Å; H146-K235 WeakPolarHBondContact CA-O 3.32Å
147N88Confident93.5Very high19 Ų1942.3 Ų42.310%0.10222%0.224CC..THydrogen-bonded Turntrans54.215.3176.8-57.7-17.6000116.7Y145 E149 K235 T237Y145-N147 PolarHBondContact O-N 2.97Å; N147-E149 VanDerWaalsContact C-N 3.27Å; N147-E149 HydrophobicContact CB-CG 4.35Å; N147-K235 PolarHBondContact N-O 3.17Å; N147-T237 VanDerWaalsContact CG-OG1 3.23Å; N147-T237 PolarHBondContact ND2-OG1 2.82Å; N147-T237 WeakPolarHBondContact OD1-CB 3.26Å; N147-T237 PolarHBondContact OD1-N 2.86Å; N147-T237 PolarHBondContact OD1-OG1 3.36Å
148M87.4Confident93.4Very high28 Ų2840.3 Ų40.314%0.13822%0.216CC..THydrogen-bonded Turntrans59.731.9-164.5-59.317769.300114Y145 H146 E204 V234 L263Y145-M148 HydrophobicContact CD1-CG 4.28Å; Y145-M148 HydrophobicContact CE1-CB 3.99Å; Y145-M148 HydrophobicContact CE1-CG 4.07Å; Y145-M148 VanDerWaalsContact CZ-C 3.45Å; Y145-M148 VanDerWaalsContact CZ-CA 3.48Å; Y145-M148 PolarHBondContact OH-O 2.85Å; Y145-M148 VanDerWaalsContact OH-O 3.1Å; H146-M148 PolarHBondContact O-N 2.97Å; M148-E204 VanDerWaalsContact CE-OE1 3.26Å; M148-E204 WeakPolarHBondContact CE-OE1 3.43Å; M148-E204 WeakPolarHBondContact CE-OE2 3.31Å; M148-V234 HydrophobicContact CG-CG1 4.22Å; M148-V234 HydrophobicContact CG-CG2 3.6Å; M148-V234 HydrophobicContact SD-CG2 4.43Å; M148-L263 HydrophobicContact CG-CD2 3.93Å; M148-L263 HydrophobicContact SD-CD2 3.79Å
149E85.6Confident93.1Very high103 Ų10348.4 Ų48.448%0.48126%0.257SS..THydrogen-bonded Turntrans-124.7-43.6-177.8-65-175150.700113.3H146 N147H146-E149 PolarHBondContact O-N 2.8Å; N147-E149 VanDerWaalsContact C-N 3.27Å; N147-E149 HydrophobicContact CB-CG 4.35Å
150N87.9Confident93Very high41 Ų4151.5 Ų51.522%0.21927%0.271CS..EExtended strand (participates in β ladder)trans-131.4125.6-178.3-16662.6000112.1Y145 H146 E152 N196Y145-N150 CarbonylContact C-O 3.55Å; H146-N150 PolarHBondContact N-O 2.75Å; H146-N150 PolarHBondContact O-N 2.95Å; H146-N150 VanDerWaalsContact O-N 3.16Å; N150-E152 WeakPolarHBondContact ND2-CG 3.34Å; N150-E152 PolarHBondContact ND2-OE1 3.2Å; N150-N196 PolarHBondContact ND2-OD1 3.35Å; N150-N196 PolarHBondContact OD1-OD1 2.77Å
151L93.3Very high92.9Very high8 Ų848.5 Ų48.54%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-97.7124.7175.6-175.576.1000110.2C143 Y145 F197 L202 I230C143-L151 HydrophobicContact CB-CD1 4.04Å; Y145-L151 HydrophobicContact CD2-CB 4.2Å; Y145-L151 HydrophobicContact CD2-CD1 4.48Å; Y145-L151 HydrophobicContact CG-CD1 4.3Å; L151-F197 HydrophobicContact CB-CB 4.21Å; L151-F197 HydrophobicContact CB-CD2 4.31Å; L151-F197 HydrophobicContact CD2-CD2 3.96Å; L151-F197 HydrophobicContact CD2-CE2 4.23Å; L151-F197 HydrophobicContact CD2-CG 4.34Å; L151-F197 HydrophobicContact CG-CD2 4.23Å; L151-F197 WeakPolarHBondContact O-CD2 3.25Å; L151-F197 PolarHBondContact O-N 3.31Å; L151-L202 HydrophobicContact CD2-CD1 3.63Å; L151-I230 HydrophobicContact CD1-CG2 4.03Å; L151-I230 HydrophobicContact CD2-CG2 3.8Å
152E95.6Very high92.6Very high74 Ų7447.5 Ų47.535%0.34624%0.241SC..EExtended strand (participates in β ladder)trans-119.2123.6168.7-63.8-164.6-175.400110.5C143 V144 N150 I186 C195 N196C143-E152 CarbonylContact C-O 3.49Å; C143-E152 WeakPolarHBondContact CA-O 3.28Å; V144-E152 PolarHBondContact N-O 3.28Å; V144-E152 PolarHBondContact O-N 3.31Å; N150-E152 WeakPolarHBondContact ND2-CG 3.34Å; N150-E152 PolarHBondContact ND2-OE1 3.2Å; E152-I186 HydrophobicContact CB-CD1 4.18Å; E152-I186 HydrophobicContact CG-CD1 4.26Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å; E152-C195 WeakPolarHBondContact CA-O 3.41Å; E152-N196 HydrophobicContact CG-CB 4.27Å
153C97.3Very high92.1Very high0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-102.7141.1170.1-61.20000109.9F141 I142 C143 L169 G194 C195F141-C153 HydrophobicContact CE2-CB 4.06Å; F141-C153 HydrophobicContact CZ-CB 4.03Å; I142-C153 CarbonylContact O-C 3.56Å; I142-C153 VanDerWaalsContact O-CA 3.3Å; I142-C153 WeakPolarHBondContact O-CA 3.31Å; C143-C153 HydrophobicContact CB-CB 4.09Å; C143-C153 WeakPolarHBondContact CB-SG 3.23Å; C143-C153 WeakPolarHBondContact SG-CB 3.43Å; C143-C153 CovalentContact SG-SG 2.04Å; C143-C153 PolarHBondContact SG-SG 2.92Å; C153-L169 HydrophobicContact CB-CD1 4.32Å; C153-G194 CarbonylContact O-C 3.57Å; C153-G194 WeakPolarHBondContact O-CA 3.43Å; C153-C195 PolarHBondContact N-O 2.97Å; C153-C195 PolarHBondContact O-N 3.3Å
154S97.3Very high91.5Very high55 Ų5554.4 Ų54.439%0.38529%0.292SS..EExtended strand (participates in β ladder)trans-136.7156.7177.870.10000111.7F141 I142 K193F141-S154 WeakPolarHBondContact CA-O 3.44Å; I142-S154 WeakPolarHBondContact CG2-OG 3.41Å; I142-S154 PolarHBondContact N-O 3.34Å; I142-S154 PolarHBondContact O-N 3.44Å; S154-K193 CarbonylContact C-O 3.56Å; S154-K193 WeakPolarHBondContact CA-O 3.43Å
155W96.8Very high91.3Very high7 Ų753.2 Ų53.23%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-152.7161.8176.764.892.5000112.3A138 F141 Q167 L169 Y185 R192 K193 G194 C195 V212A138-W155 HydrophobicContact CB-CB 4.47Å; A138-W155 HydrophobicContact CB-CG 4.39Å; F141-W155 HydrophobicContact CD2-CB 4.17Å; F141-W155 HydrophobicContact CD2-CE3 4.36Å; F141-W155 HydrophobicContact CE2-CE3 4.32Å; W155-Q167 HydrophobicContact CZ2-CB 4.44Å; W155-L169 HydrophobicContact CE3-CD1 4.15Å; W155-L169 HydrophobicContact CH2-CB 3.81Å; W155-L169 HydrophobicContact CH2-CD1 4.31Å; W155-L169 HydrophobicContact CZ3-CB 3.93Å; W155-L169 HydrophobicContact CZ3-CD1 3.56Å; W155-L169 HydrophobicContact CZ3-CG 4.41Å; W155-Y185 HydrophobicContact CH2-CD1 4.23Å; W155-Y185 HydrophobicContact CH2-CE1 4.06Å; W155-R192 HydrophobicContact CZ2-CB 4.39Å; W155-K193 PolarHBondContact N-O 2.04Å; W155-G194 VanDerWaalsContact CZ3-C 3.44Å; W155-C195 HydrophobicContact CZ3-CB 4.35Å; W155-V212 HydrophobicContact CD2-CG1 4.3Å; W155-V212 HydrophobicContact CD2-CG2 4.26Å; W155-V212 HydrophobicContact CE3-CG2 4.33Å; W155-V212 HydrophobicContact CG-CG1 4.44Å; W155-V212 HydrophobicContact CZ2-CG1 4.41Å
156T94.8Very high91Very high77 Ų7757 Ų5747%0.47231%0.306SS..EExtended strand (participates in β ladder)trans-106.1153.4171.264.60000110.7K139K139-T156 VanDerWaalsContact C-OG1 3.29Å; K139-T156 WeakPolarHBondContact CB-OG1 3.35Å; K139-T156 PolarHBondContact N-O 3.01Å; K139-T156 PolarHBondContact O-N 2.89Å; K139-T156 PolarHBondContact O-OG1 2.88Å
157R92.2Very high91.1Very high58 Ų5853.6 Ų53.622%0.21929%0.29CS..  trans-79.6147178.7-67164.276.696.4-11.5110.3T161 P162 A165R157-T161 HydrophobicContact CB-CG2 4.46Å; R157-P162 PolarHBondContact NH2-O 2.89Å; R157-A165 VanDerWaalsContact CZ-O 3.28Å; R157-A165 PolarHBondContact NH1-O 2.86Å; R157-A165 PolarHBondContact NH2-O 3.03Å
158G90Very high91.5Very high5 Ų554.3 Ų54.35%0.05229%0.294CS..  trans-60.6148.8168.900000111.6G135 E137 K160 T161G135-G158 CarbonylContact O-C 3.56Å; G135-G158 WeakPolarHBondContact O-CA 3.46Å; E137-G158 WeakPolarHBondContact O-CA 3.48Å; E137-G158 PolarHBondContact O-N 2.97Å; G158-K160 PolarHBondContact O-N 2.98Å; G158-K160 VanDerWaalsContact O-N 3.08Å; G158-T161 PolarHBondContact N-OG1 2.83Å; G158-T161 WeakPolarHBondContact O-CB 3.23Å; G158-T161 PolarHBondContact O-N 2.82Å; G158-T161 PolarHBondContact O-OG1 2.75Å
159L88.9Confident91.9Very high174 Ų17453 Ų5391%0.91129%0.287SS*.THydrogen-bonded Turntrans-59.9-23.5-174.6-68.7171.8000113.8G135G135-L159 PolarHBondContact O-N 3.22Å
160K92.2Very high92.5Very high150 Ų15050.8 Ų50.865%0.65228%0.275SS*.THydrogen-bonded Turntrans-100.13177.9-61.6-176.7178.1178.60113.3L134 G135 T136 G158 P162L134-K160 WeakPolarHBondContact O-CD 3.38Å; G135-K160 PolarHBondContact O-N 3.46Å; T136-K160 HydrophobicContact CG2-CB 4.24Å; G158-K160 PolarHBondContact O-N 2.98Å; G158-K160 VanDerWaalsContact O-N 3.08Å; K160-P162 VanDerWaalsContact O-CD 3.26Å; K160-P162 WeakPolarHBondContact O-CD 3.06Å
161T91.7Very high92.9Very high13 Ų1349.1 Ų49.18%0.0827%0.266CS..  trans-65.8116.4-178.1-53.90000110.2T136 R157 G158 A165 L221T136-T161 VanDerWaalsContact CA-OG1 3.32Å; T136-T161 WeakPolarHBondContact CA-OG1 3.34Å; T136-T161 PolarHBondContact O-OG1 2.81Å; T136-T161 VanDerWaalsContact O-OG1 3.14Å; R157-T161 HydrophobicContact CB-CG2 4.46Å; G158-T161 PolarHBondContact N-OG1 2.83Å; G158-T161 WeakPolarHBondContact O-CB 3.23Å; G158-T161 PolarHBondContact O-N 2.82Å; G158-T161 PolarHBondContact O-OG1 2.75Å; T161-A165 HydrophobicContact CG2-CB 4.09Å; T161-L221 HydrophobicContact CG2-CD1 3.82Å; T161-L221 HydrophobicContact CG2-CD2 4.2Å
162P91.1Very high93Very high9 Ų949.5 Ų49.56%0.05827%0.267CS..  trans-56.3142.3-175.8-27.436.1000112R157 K160 S164 A165 E218R157-P162 PolarHBondContact NH2-O 2.89Å; K160-P162 VanDerWaalsContact O-CD 3.26Å; K160-P162 WeakPolarHBondContact O-CD 3.06Å; P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.1Å; P162-A165 HydrophobicContact CB-CB 4.32Å; P162-A165 VanDerWaalsContact O-CB 3.31Å; P162-A165 WeakPolarHBondContact O-CB 3.49Å; P162-A165 PolarHBondContact O-N 3.36Å; P162-E218 VanDerWaalsContact CG-OE1 3.24Å; P162-E218 WeakPolarHBondContact CG-OE1 3.49Å
163P87.3Confident93Very high127 Ų12746.7 Ų46.783%0.82525%0.254SS*.THydrogen-bonded Turntrans-57.3-32.1-173.8-28.435.8000114.5
164S84.4Confident92.7Very high86 Ų8657.3 Ų57.360%0.60129%0.294SS*.THydrogen-bonded Turntrans-82.9-9.117953.40000114.8P162P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.1Å
165A89.9Confident92.4Very high2 Ų259 Ų592%0.01731%0.306CS..  trans-72.4141.6-178.400000111.4R157 T161 P162 S215 L221R157-A165 VanDerWaalsContact CZ-O 3.28Å; R157-A165 PolarHBondContact NH1-O 2.86Å; R157-A165 PolarHBondContact NH2-O 3.03Å; T161-A165 HydrophobicContact CG2-CB 4.09Å; P162-A165 HydrophobicContact CB-CB 4.32Å; P162-A165 VanDerWaalsContact O-CB 3.31Å; P162-A165 WeakPolarHBondContact O-CB 3.49Å; P162-A165 PolarHBondContact O-N 3.36Å; A165-S215 WeakPolarHBondContact CA-O 3.17Å; A165-S215 WeakPolarHBondContact CB-O 3.47Å; A165-L221 HydrophobicContact CB-CD1 4.1Å; A165-L221 HydrophobicContact CB-CD2 4.04Å
166L87.3Confident92.2Very high88 Ų8860.8 Ų60.846%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-106.4134.8173.8-67.1176.7000109.7G214 S215L166-G214 VanDerWaalsContact O-CA 3.23Å; L166-G214 WeakPolarHBondContact O-CA 3.36Å; L166-S215 PolarHBondContact N-O 2.84Å; L166-S215 PolarHBondContact O-N 3.5Å
167Q94Very high92.1Very high2 Ų264.3 Ų64.31%0.00933%0.331CS..EExtended strand (participates in β ladder)trans-101.2136.9172.3-80.6177.5-36.400109.6T136 W155 R192 V212 N213 L221T136-Q167 PolarHBondContact O-NE2 3.41Å; W155-Q167 HydrophobicContact CZ2-CB 4.44Å; Q167-R192 WeakPolarHBondContact O-CD 3.36Å; Q167-V212 HydrophobicContact CB-CG1 4.17Å; Q167-V212 HydrophobicContact CG-CG1 4.45Å; Q167-N213 CarbonylContact C-O 3.21Å; Q167-N213 WeakPolarHBondContact CA-O 3.3Å; Q167-L221 HydrophobicContact CG-CD1 3.56Å
168N95.8Very high92.2Very high33 Ų3368.3 Ų68.318%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-116.4143.5-179.4-64.36.3000108.9Y170 Y185 R192 V212 N213N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 3.57Å; N168-Y170 PolarHBondContact ND2-OH 2.92Å; N168-Y185 VanDerWaalsContact CA-OH 3.25Å; N168-Y185 WeakPolarHBondContact CA-OH 3.11Å; N168-Y185 WeakPolarHBondContact CB-OH 3.34Å; N168-R192 VanDerWaalsContact CG-NH1 3.27Å; N168-R192 PolarHBondContact OD1-NH1 3.46Å; N168-V212 WeakPolarHBondContact O-CA 3.36Å; N168-N213 PolarHBondContact N-O 2.73Å; N168-N213 PolarHBondContact O-N 2.86Å
169L97.6Very high92.5Very high0 Ų069.2 Ų69.20%036%0.36CS..EExtended strand (participates in β ladder)trans-107.8129172.9177.9152.1000109F141 C153 W155 F171 E181 C182 Y185 C195 F197 F210 C211 V212F141-L169 HydrophobicContact CE2-CD1 3.68Å; F141-L169 HydrophobicContact CZ-CD1 4.16Å; C153-L169 HydrophobicContact CB-CD1 4.32Å; W155-L169 HydrophobicContact CE3-CD1 4.15Å; W155-L169 HydrophobicContact CH2-CB 3.81Å; W155-L169 HydrophobicContact CH2-CD1 4.31Å; W155-L169 HydrophobicContact CZ3-CB 3.93Å; W155-L169 HydrophobicContact CZ3-CD1 3.56Å; W155-L169 HydrophobicContact CZ3-CG 4.41Å; L169-F171 HydrophobicContact CD2-CD1 4.45Å; L169-E181 CarbonylContact O-C 3.5Å; L169-E181 WeakPolarHBondContact O-CA 3.08Å; L169-E181 WeakPolarHBondContact O-CG 3.29Å; L169-C182 HydrophobicContact CB-CB 4.2Å; L169-C182 HydrophobicContact CD2-CB 4.03Å; L169-C182 PolarHBondContact O-N 3.37Å; L169-Y185 HydrophobicContact CB-CE1 4.42Å; L169-Y185 PolarHBondContact N-OH 3.02Å; L169-C195 HydrophobicContact CD1-CB 3.98Å; L169-C195 HydrophobicContact CD2-CB 4.21Å; L169-F197 HydrophobicContact CD2-CZ 4.15Å; L169-F210 HydrophobicContact CD1-CD1 4.41Å; L169-F210 HydrophobicContact CD2-CD1 4.28Å; L169-C211 WeakPolarHBondContact CA-O 3.05Å; L169-V212 HydrophobicContact CD1-CG2 4.36Å
170Y96.9Very high92.7Very high57 Ų5763.1 Ų63.122%0.22433%0.329CS..EExtended strand (participates in β ladder)trans-117.7149.3168.7-59.6-89.7000109.1N168 V180 E181 F210 C211 N213N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 3.57Å; N168-Y170 PolarHBondContact ND2-OH 2.92Å; Y170-V180 CarbonylContact C-O 3.52Å; Y170-V180 VanDerWaalsContact CA-O 3.27Å; Y170-V180 WeakPolarHBondContact CA-O 3.5Å; Y170-E181 HydrophobicContact CD1-CB 3.86Å; Y170-E181 HydrophobicContact CD1-CG 4.21Å; Y170-E181 HydrophobicContact CE1-CB 3.59Å; Y170-E181 HydrophobicContact CE1-CG 3.77Å; Y170-E181 PolarHBondContact OH-OE2 2.81Å; Y170-F210 WeakPolarHBondContact O-CA 3.46Å; Y170-C211 PolarHBondContact N-O 2.97Å; Y170-C211 PolarHBondContact O-N 2.04Å; Y170-N213 WeakPolarHBondContact CD2-ND2 3.32Å; Y170-N213 WeakPolarHBondContact CE2-ND2 3.35Å; Y170-N213 WeakPolarHBondContact CE2-OD1 3.41Å
171F96.4Very high92.9Very high6 Ų659.2 Ų59.23%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-135.5155.5175.771-77.7000111.2L169 H173 L176 A179 V180 F197 L202 Y209 F210L169-F171 HydrophobicContact CD2-CD1 4.45Å; F171-H173 AromaticContact CE2-NE2 3.96Å; F171-L176 HydrophobicContact CD2-CD1 4.32Å; F171-L176 HydrophobicContact CE2-CD1 3.89Å; F171-A179 WeakPolarHBondContact O-CA 3.46Å; F171-V180 HydrophobicContact CD1-CB 4.44Å; F171-V180 WeakPolarHBondContact CD1-O 3.1Å; F171-V180 HydrophobicContact CE1-CB 3.83Å; F171-V180 HydrophobicContact CE1-CG1 3.89Å; F171-V180 HydrophobicContact CZ-CB 3.94Å; F171-V180 HydrophobicContact CZ-CG1 4.04Å; F171-V180 PolarHBondContact N-O 2.73Å; F171-V180 PolarHBondContact O-N 2.8Å; F171-F197 AromaticContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CZ 4.16Å; F171-F197 HydrophobicContact CD2-CE1 4.34Å; F171-F197 AromaticContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE2-CE1 4.31Å; F171-F197 HydrophobicContact CG-CE1 4.08Å; F171-F197 HydrophobicContact CG-CZ 4.42Å; F171-F197 HydrophobicContact CZ-CE1 4.01Å; F171-L202 HydrophobicContact CD2-CD2 4.02Å; F171-L202 HydrophobicContact CE2-CD2 3.49Å; F171-L202 VanDerWaalsContact CE2-CD2 3.49Å; F171-L202 HydrophobicContact CZ-CD2 4.23Å; F171-Y209 CarbonylContact C-O 3.52Å; F171-Y209 VanDerWaalsContact CA-O 3.23Å; F171-Y209 WeakPolarHBondContact CA-O 3.44Å; F171-F210 HydrophobicContact CB-CD1 3.73Å; F171-F210 HydrophobicContact CB-CE1 3.86Å; F171-F210 HydrophobicContact CB-CG 4.47Å
172W96.3Very high93.1Very high16 Ų1659.1 Ų59.16%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-145.3145.5174.4-176.468.9000111.4R42 L43 Q45 R174 L176 A179 Y209R42-W172 HydrophobicContact CB-CD2 3.71Å; R42-W172 HydrophobicContact CB-CE3 4.1Å; R42-W172 HydrophobicContact CB-CG 3.97Å; R42-W172 HydrophobicContact CB-CZ2 4.43Å; R42-W172 VanDerWaalsContact CD-CE2 3.42Å; R42-W172 HydrophobicContact CG-CD2 4.08Å; R42-W172 HydrophobicContact CG-CG 4.13Å; R42-W172 HydrophobicContact CG-CZ2 4.4Å; L43-W172 HydrophobicContact CD1-CB 4.02Å; L43-W172 HydrophobicContact CG-CB 4.16Å; Q45-W172 HydrophobicContact CB-CH2 4.35Å; Q45-W172 HydrophobicContact CB-CZ3 4.03Å; Q45-W172 HydrophobicContact CG-CH2 4.25Å; Q45-W172 HydrophobicContact CG-CZ3 4.36Å; W172-R174 HydrophobicContact CH2-CB 4.44Å; W172-L176 PolarHBondContact NE1-O 3.16Å; W172-A179 HydrophobicContact CB-CB 4.31Å; W172-Y209 AromaticContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CE2 4.38Å; W172-Y209 HydrophobicContact CZ3-CD2 4.04Å; W172-Y209 HydrophobicContact CZ3-CE2 4.18Å; W172-Y209 PolarHBondContact N-O 2.82Å; W172-Y209 PolarHBondContact O-N 2.8Å
173H94.6Very high93.3Very high16 Ų1661.1 Ų61.17%0.07433%0.326CS..  trans-147.1161.117054.385.9000109.6F171 S175 L176 P203 I208F171-H173 AromaticContact CE2-NE2 3.96Å; H173-S175 PolarHBondContact CE1-OG 2.96Å; H173-S175 PolarHBondContact ND1-OG 2.59Å; H173-S175 PolarHBondContact O-N 3.04Å; H173-L176 WeakPolarHBondContact NE2-CD1 3.36Å; H173-L176 PolarHBondContact O-N 2.92Å; H173-P203 HydrophobicContact CB-CG 3.92Å; H173-I208 HydrophobicContact CB-CG1 3.99Å; H173-I208 HydrophobicContact CB-CG2 4.48Å
174R91.4Very high93.7Very high222 Ų22257.6 Ų57.684%0.83831%0.305SS*.THydrogen-bonded Turntrans-53.6-24.6-167.8-171.1171.7179.1167.60.4116.1W172W172-R174 HydrophobicContact CH2-CB 4.44Å
175S91.3Very high94.2Very high91 Ų9155.4 Ų55.464%0.63628%0.283SS*.THydrogen-bonded Turntrans-90.314.2177.341.20000115H173H173-S175 PolarHBondContact CE1-OG 2.96Å; H173-S175 PolarHBondContact ND1-OG 2.59Å; H173-S175 PolarHBondContact O-N 3.04Å
176L92.4Very high94.5Very high45 Ų4557.9 Ų57.924%0.23630%0.296CS..  trans-115.8140169.6-63.3172.2000110.7F171 W172 H173 Q178 V180F171-L176 HydrophobicContact CD2-CD1 4.32Å; F171-L176 HydrophobicContact CE2-CD1 3.89Å; W172-L176 PolarHBondContact NE1-O 3.16Å; H173-L176 WeakPolarHBondContact NE2-CD1 3.36Å; H173-L176 PolarHBondContact O-N 2.92Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.99Å; L176-V180 HydrophobicContact CD1-CG2 4.01Å; L176-V180 HydrophobicContact CD2-CG2 4.41Å
177D92.6Very high94.8Very high150 Ų15058.8 Ų58.880%0.80230%0.301SS*.SBendtrans-69.4-32.3177.1-58.1-63000113.1R42R42-D177 WeakPolarHBondContact CD-O 3.4Å; R42-D177 PolarHBondContact NH1-O 2.84Å
178Q94.4Very high94.7Very high142 Ų14261.2 Ų61.266%0.66432%0.318SS*.SBendtrans-144.5165-175.564.6179.1-200111.3L176L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.99Å
179A95.2Very high94.3Very high25 Ų2563.7 Ų63.721%0.20735%0.351CS..  trans-67.4145.6173.300000111.8L43 F171 W172L43-A179 HydrophobicContact CD1-CB 4.21Å; L43-A179 HydrophobicContact CD2-CB 3.84Å; L43-A179 HydrophobicContact CG-CB 3.81Å; F171-A179 WeakPolarHBondContact O-CA 3.46Å; W172-A179 HydrophobicContact CB-CB 4.31Å
180V94.6Very high93.7Very high45 Ų4566.6 Ų66.627%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-123.3138.8-173.9-179.60000110Y170 F171 L176Y170-V180 CarbonylContact C-O 3.52Å; Y170-V180 VanDerWaalsContact CA-O 3.27Å; Y170-V180 WeakPolarHBondContact CA-O 3.5Å; F171-V180 HydrophobicContact CD1-CB 4.44Å; F171-V180 WeakPolarHBondContact CD1-O 3.1Å; F171-V180 HydrophobicContact CE1-CB 3.83Å; F171-V180 HydrophobicContact CE1-CG1 3.89Å; F171-V180 HydrophobicContact CZ-CB 3.94Å; F171-V180 HydrophobicContact CZ-CG1 4.04Å; F171-V180 PolarHBondContact N-O 2.73Å; F171-V180 PolarHBondContact O-N 2.8Å; L176-V180 HydrophobicContact CD1-CG2 4.01Å; L176-V180 HydrophobicContact CD2-CG2 4.41Å
181E96.1Very high93.4Very high69 Ų6965.6 Ų65.632%0.32238%0.381SS..EExtended strand (participates in β ladder)trans-70.3151.4174.5-162.5172.2163.300110.9L169 Y170 Y185 R192L169-E181 CarbonylContact O-C 3.5Å; L169-E181 WeakPolarHBondContact O-CA 3.08Å; L169-E181 WeakPolarHBondContact O-CG 3.29Å; Y170-E181 HydrophobicContact CD1-CB 3.86Å; Y170-E181 HydrophobicContact CD1-CG 4.21Å; Y170-E181 HydrophobicContact CE1-CB 3.59Å; Y170-E181 HydrophobicContact CE1-CG 3.77Å; Y170-E181 PolarHBondContact OH-OE2 2.81Å; E181-Y185 HydrophobicContact CG-CE2 4.17Å; E181-Y185 VanDerWaalsContact CG-OH 3.24Å; E181-Y185 WeakPolarHBondContact CG-OH 3.49Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y185 PolarHBondContact OE1-OH 2.79Å; E181-R192 IonicContact OE1-CZ 3.83Å; E181-R192 IonicContact OE1-NH1 2.96Å; E181-R192 PolarHBondContact OE1-NH1 3.48Å; E181-R192 IonicContact OE1-NH2 3.84Å
182C95.9Very high93.3Very high10 Ų1068.1 Ų68.17%0.06839%0.39CS..  trans-39.9124.5169.9175.60000113.2L169 S184 Y185 C195L169-C182 HydrophobicContact CB-CB 4.2Å; L169-C182 HydrophobicContact CD2-CB 4.03Å; L169-C182 PolarHBondContact O-N 3.37Å; C182-S184 PolarHBondContact O-N 3.3Å; C182-S184 PolarHBondContact SG-O 3.09Å; C182-Y185 HydrophobicContact CB-CD1 4.26Å; C182-Y185 HydrophobicContact CB-CD2 4.24Å; C182-Y185 HydrophobicContact CB-CE1 3.79Å; C182-Y185 HydrophobicContact CB-CE2 3.76Å; C182-Y185 HydrophobicContact CB-CG 4.49Å; C182-C195 WeakPolarHBondContact CA-SG 3.46Å; C182-C195 HydrophobicContact CB-CB 3.93Å; C182-C195 WeakPolarHBondContact CB-SG 3.36Å; C182-C195 WeakPolarHBondContact SG-CA 3.48Å; C182-C195 WeakPolarHBondContact SG-CB 3.35Å; C182-C195 CovalentContact SG-SG 2.02Å; C182-C195 PolarHBondContact SG-SG 3.1Å
183P94.5Very high93.1Very high51 Ų5171.9 Ų71.933%0.33141%0.407SS..SBendtrans-72.5-25.6-178.428.3-35.3000114.1F197 K200P183-F197 HydrophobicContact CG-CD1 3.85Å; P183-F197 HydrophobicContact CG-CE1 4.32Å; P183-F197 HydrophobicContact CG-CG 4.28Å; P183-K200 HydrophobicContact CB-CD 4.28Å; P183-K200 HydrophobicContact CG-CD 4.27Å
184S95.4Very high93.2Very high53 Ų5371.1 Ų71.137%0.37140%0.403SS..EExtended strand (participates in β ladder)trans-152.1114176.7-173.10000111.5C182 C195 N196C182-S184 PolarHBondContact O-N 3.3Å; C182-S184 PolarHBondContact SG-O 3.09Å; S184-C195 CarbonylContact O-C 3.47Å; S184-C195 WeakPolarHBondContact O-CA 3.28Å; S184-N196 PolarHBondContact N-O 2.93Å; S184-N196 PolarHBondContact O-N 2.76Å
185Y96.3Very high93.5Very high40 Ų4060.5 Ų60.516%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-80.9132.4-178-78.9-81.2000112.9W155 N168 L169 E181 C182 R192 G194W155-Y185 HydrophobicContact CH2-CD1 4.23Å; W155-Y185 HydrophobicContact CH2-CE1 4.06Å; N168-Y185 VanDerWaalsContact CA-OH 3.25Å; N168-Y185 WeakPolarHBondContact CA-OH 3.11Å; N168-Y185 WeakPolarHBondContact CB-OH 3.34Å; L169-Y185 HydrophobicContact CB-CE1 4.42Å; L169-Y185 PolarHBondContact N-OH 3.02Å; E181-Y185 HydrophobicContact CG-CE2 4.17Å; E181-Y185 VanDerWaalsContact CG-OH 3.24Å; E181-Y185 WeakPolarHBondContact CG-OH 3.49Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y185 PolarHBondContact OE1-OH 2.79Å; C182-Y185 HydrophobicContact CB-CD1 4.26Å; C182-Y185 HydrophobicContact CB-CD2 4.24Å; C182-Y185 HydrophobicContact CB-CE1 3.79Å; C182-Y185 HydrophobicContact CB-CE2 3.76Å; C182-Y185 HydrophobicContact CB-CG 4.49Å; Y185-R192 HydrophobicContact CD1-CB 3.99Å; Y185-R192 HydrophobicContact CD1-CG 3.72Å; Y185-R192 HydrophobicContact CE1-CB 4.46Å; Y185-R192 HydrophobicContact CE1-CG 4.24Å; Y185-R192 HydrophobicContact CG-CG 3.97Å; Y185-R192 PolarHBondContact OH-NH1 2.69Å; Y185-G194 WeakPolarHBondContact CD1-O 3.01Å
186I95.6Very high93.7Very high54 Ų5457.8 Ų57.828%0.27734%0.342SS..EExtended strand (participates in β ladder)trans-81.2118.9169.4-55.2172.1000108E152 K193 G194 N196E152-I186 HydrophobicContact CB-CD1 4.18Å; E152-I186 HydrophobicContact CG-CD1 4.26Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å; I186-K193 PolarHBondContact O-N 2.75Å; I186-G194 PolarHBondContact N-O 2.95Å; I186-G194 PolarHBondContact O-N 3.4Å; I186-N196 HydrophobicContact CD1-CB 4.27Å; I186-N196 HydrophobicContact CG1-CB 4.12Å
187L94.5Very high93.7Very high107 Ų10755.8 Ų55.856%0.5633%0.331SS*.EExtended strand (participates in β ladder)trans-108.3142.8-175.7-59.7-177.9000111.8V191 R192L187-V191 WeakPolarHBondContact CA-O 3.47Å; L187-R192 HydrophobicContact CD2-CB 4.35Å; L187-R192 HydrophobicContact CD2-CG 3.72Å
188S90.8Very high93.2Very high54 Ų5451.8 Ų51.838%0.37831%0.314SS..EExtended strand (participates in β ladder)trans-144.3112.7175.5178.20000109G190 V191 K193S188-G190 VanDerWaalsContact C-N 3.29Å; S188-G190 PolarHBondContact O-N 2.81Å; S188-V191 PolarHBondContact N-O 2.95Å; S188-V191 WeakPolarHBondContact O-CB 3.27Å; S188-V191 PolarHBondContact O-N 2.79Å; S188-V191 VanDerWaalsContact O-N 3.15Å; S188-K193 PolarHBondContact OG-NZ 3.2Å
189G87.4Confident91.8Very high85 Ų8548.4 Ų48.488%0.87632%0.317SS*.THydrogen-bonded Turntrans63.132.5-17200000113.6V191G189-V191 PolarHBondContact O-N 3.12Å
190G86.3Confident90.4Very high61 Ų6152.3 Ų52.363%0.62933%0.329SS*.THydrogen-bonded Turntrans77.8-6.4-173.600000115S188S188-G190 VanDerWaalsContact C-N 3.29Å; S188-G190 PolarHBondContact O-N 2.81Å
191V89.8Confident89.4Confident36 Ų3657 Ų5722%0.21834%0.343CS..EExtended strand (participates in β ladder)trans-94.2131-178179.70000110.8L187 S188 G189 K193L187-V191 WeakPolarHBondContact CA-O 3.47Å; S188-V191 PolarHBondContact N-O 2.95Å; S188-V191 WeakPolarHBondContact O-CB 3.27Å; S188-V191 PolarHBondContact O-N 2.79Å; S188-V191 VanDerWaalsContact O-N 3.15Å; G189-V191 PolarHBondContact O-N 3.12Å; V191-K193 PolarHBondContact O-N 3.39Å
192R94Very high89Confident59 Ų5954.2 Ų54.222%0.22333%0.33CS..EExtended strand (participates in β ladder)trans-61.1117.7168.7-66174.6173-158.7-13109.4W155 Q167 N168 E181 Y185 L187W155-R192 HydrophobicContact CZ2-CB 4.39Å; Q167-R192 WeakPolarHBondContact O-CD 3.36Å; N168-R192 VanDerWaalsContact CG-NH1 3.27Å; N168-R192 PolarHBondContact OD1-NH1 3.46Å; E181-R192 IonicContact OE1-CZ 3.83Å; E181-R192 IonicContact OE1-NH1 2.96Å; E181-R192 PolarHBondContact OE1-NH1 3.48Å; E181-R192 IonicContact OE1-NH2 3.84Å; Y185-R192 HydrophobicContact CD1-CB 3.99Å; Y185-R192 HydrophobicContact CD1-CG 3.72Å; Y185-R192 HydrophobicContact CE1-CB 4.46Å; Y185-R192 HydrophobicContact CE1-CG 4.24Å; Y185-R192 HydrophobicContact CG-CG 3.97Å; Y185-R192 PolarHBondContact OH-NH1 2.69Å; L187-R192 HydrophobicContact CD2-CB 4.35Å; L187-R192 HydrophobicContact CD2-CG 3.72Å
193K93.3Very high88.7Confident94 Ų9455.3 Ų55.341%0.40934%0.337SS..EExtended strand (participates in β ladder)trans-124.5-5.7176.4-67.6-168.4-172.2164.40113.7S154 W155 I186 S188 V191S154-K193 CarbonylContact C-O 3.56Å; S154-K193 WeakPolarHBondContact CA-O 3.43Å; W155-K193 PolarHBondContact N-O 2.04Å; I186-K193 PolarHBondContact O-N 2.75Å; S188-K193 PolarHBondContact OG-NZ 3.2Å; V191-K193 PolarHBondContact O-N 3.39Å
194G96.4Very high88.5Confident0 Ų056.1 Ų56.10%034%0.337CS..EExtended strand (participates in β ladder)trans-167.5178.2-178.100000113C153 W155 Y185 I186C153-G194 CarbonylContact O-C 3.57Å; C153-G194 WeakPolarHBondContact O-CA 3.43Å; W155-G194 VanDerWaalsContact CZ3-C 3.44Å; Y185-G194 WeakPolarHBondContact CD1-O 3.01Å; I186-G194 PolarHBondContact N-O 2.95Å; I186-G194 PolarHBondContact O-N 3.4Å
195C96.7Very high88.3Confident0 Ų060 Ų600%035%0.347CS..EExtended strand (participates in β ladder)trans-137.4125.4177.4-1720000109.5E152 C153 W155 L169 C182 S184 F197E152-C195 WeakPolarHBondContact CA-O 3.41Å; C153-C195 PolarHBondContact N-O 2.97Å; C153-C195 PolarHBondContact O-N 3.3Å; W155-C195 HydrophobicContact CZ3-CB 4.35Å; L169-C195 HydrophobicContact CD1-CB 3.98Å; L169-C195 HydrophobicContact CD2-CB 4.21Å; C182-C195 WeakPolarHBondContact CA-SG 3.46Å; C182-C195 HydrophobicContact CB-CB 3.93Å; C182-C195 WeakPolarHBondContact CB-SG 3.36Å; C182-C195 WeakPolarHBondContact SG-CA 3.48Å; C182-C195 WeakPolarHBondContact SG-CB 3.35Å; C182-C195 CovalentContact SG-SG 2.02Å; C182-C195 PolarHBondContact SG-SG 3.1Å; S184-C195 CarbonylContact O-C 3.47Å; S184-C195 WeakPolarHBondContact O-CA 3.28Å; C195-F197 HydrophobicContact CB-CE2 3.97Å; C195-F197 VanDerWaalsContact SG-CE2 3.54Å
196N95.5Very high88.2Confident34 Ų3460.6 Ų60.618%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-99142.8170.1-174.15.5000108.8N150 E152 S184 I186 P198N150-N196 PolarHBondContact ND2-OD1 3.35Å; N150-N196 PolarHBondContact OD1-OD1 2.77Å; E152-N196 HydrophobicContact CG-CB 4.27Å; S184-N196 PolarHBondContact N-O 2.93Å; S184-N196 PolarHBondContact O-N 2.76Å; I186-N196 HydrophobicContact CD1-CB 4.27Å; I186-N196 HydrophobicContact CG1-CB 4.12Å; N196-P198 WeakPolarHBondContact O-CD 3.49Å
197F93.1Very high88.2Confident3 Ų360.4 Ų60.41%0.01335%0.354CS..  trans-112.560.2-179-69.3-100.6000112.3L151 L169 F171 P183 C195 G199 K200 L202 F210L151-F197 HydrophobicContact CB-CB 4.21Å; L151-F197 HydrophobicContact CB-CD2 4.31Å; L151-F197 HydrophobicContact CD2-CD2 3.96Å; L151-F197 HydrophobicContact CD2-CE2 4.23Å; L151-F197 HydrophobicContact CD2-CG 4.34Å; L151-F197 HydrophobicContact CG-CD2 4.23Å; L151-F197 WeakPolarHBondContact O-CD2 3.25Å; L151-F197 PolarHBondContact O-N 3.31Å; L169-F197 HydrophobicContact CD2-CZ 4.15Å; F171-F197 AromaticContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CZ 4.16Å; F171-F197 HydrophobicContact CD2-CE1 4.34Å; F171-F197 AromaticContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE2-CE1 4.31Å; F171-F197 HydrophobicContact CG-CE1 4.08Å; F171-F197 HydrophobicContact CG-CZ 4.42Å; F171-F197 HydrophobicContact CZ-CE1 4.01Å; P183-F197 HydrophobicContact CG-CD1 3.85Å; P183-F197 HydrophobicContact CG-CE1 4.32Å; P183-F197 HydrophobicContact CG-CG 4.28Å; C195-F197 HydrophobicContact CB-CE2 3.97Å; C195-F197 VanDerWaalsContact SG-CE2 3.54Å; F197-G199 PolarHBondContact O-N 3.15Å; F197-K200 PolarHBondContact O-N 3.44Å; F197-L202 HydrophobicContact CD1-CD1 3.95Å; F197-L202 HydrophobicContact CD1-CD2 4.29Å; F197-L202 HydrophobicContact CD1-CG 4.22Å; F197-L202 HydrophobicContact CE1-CD1 3.92Å; F197-L202 HydrophobicContact CE1-CD2 4.45Å; F197-L202 HydrophobicContact CG-CD1 4.49Å; F197-L202 HydrophobicContact CZ-CD1 4.44Å; F197-F210 HydrophobicContact CZ-CE1 4.03Å
198P80.9Confident88.3Confident66 Ų6655.3 Ų55.343%0.42933%0.327SS..THydrogen-bonded Turntrans-62.7122.1-172.927.4-35.9000111.6N196 K200N196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-K200 PolarHBondContact O-N 2.84Å; P198-K200 VanDerWaalsContact O-N 3.08Å
199G65.9Low88.6Confident71 Ų7154.1 Ų54.173%0.73232%0.315SS*.THydrogen-bonded Turntrans66.45.7175.100000115.9F197F197-G199 PolarHBondContact O-N 3.15Å
200K65.5Low89Confident106 Ų10650.1 Ų50.146%0.46127%0.273SS..  trans-100.5102.1175.3-72.9-165.2179.7-174.10110.3P183 F197 P198 L202P183-K200 HydrophobicContact CB-CD 4.28Å; P183-K200 HydrophobicContact CG-CD 4.27Å; F197-K200 PolarHBondContact O-N 3.44Å; P198-K200 PolarHBondContact O-N 2.84Å; P198-K200 VanDerWaalsContact O-N 3.08Å; K200-L202 PolarHBondContact O-N 2.77Å
201Y72.8Confident89.5Confident143 Ų14347.4 Ų47.456%0.56125%0.245SC*.  trans-64.8102.4165.4-58.6-64.1000109.3R262Y201-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y201-R262 PolarHBondContact OH-NH1 2.97Å; Y201-R262 PolarHBondContact OH-NH2 3.36Å
202L87.8Confident89.9Confident12 Ų1245.7 Ų45.76%0.06324%0.235CC..PPolyproline II helixtrans-70.6154.3160-62.3-170.9000108.6L151 F171 F197 K200 E204 I208 F210 I230L151-L202 HydrophobicContact CD2-CD1 3.63Å; F171-L202 HydrophobicContact CD2-CD2 4.02Å; F171-L202 HydrophobicContact CE2-CD2 3.49Å; F171-L202 VanDerWaalsContact CE2-CD2 3.49Å; F171-L202 HydrophobicContact CZ-CD2 4.23Å; F197-L202 HydrophobicContact CD1-CD1 3.95Å; F197-L202 HydrophobicContact CD1-CD2 4.29Å; F197-L202 HydrophobicContact CD1-CG 4.22Å; F197-L202 HydrophobicContact CE1-CD1 3.92Å; F197-L202 HydrophobicContact CE1-CD2 4.45Å; F197-L202 HydrophobicContact CG-CD1 4.49Å; F197-L202 HydrophobicContact CZ-CD1 4.44Å; K200-L202 PolarHBondContact O-N 2.77Å; L202-E204 PolarHBondContact O-N 3.38Å; L202-I208 HydrophobicContact CB-CD1 3.86Å; L202-I208 HydrophobicContact CD1-CD1 4.23Å; L202-I208 HydrophobicContact CD1-CG2 4.48Å; L202-F210 HydrophobicContact CD1-CZ 4.48Å; L202-I230 HydrophobicContact CB-CD1 4Å; L202-I230 WeakPolarHBondContact O-CD1 3.46Å
203P91.3Very high89.9Confident33 Ų3345.2 Ų45.221%0.21424%0.236CC..PPolyproline II helixtrans-72.4129.6-176.728.7-35.4000112.2H173 T206 I208H173-P203 HydrophobicContact CB-CG 3.92Å; P203-T206 HydrophobicContact CB-CG2 3.66Å; P203-T206 HydrophobicContact CG-CG2 3.51Å; P203-I208 HydrophobicContact CG-CD1 4.38Å; P203-I208 HydrophobicContact CG-CG1 4.23Å; P203-I208 WeakPolarHBondContact O-CD1 3.49Å
204E90.4Very high89.8Confident68 Ų6841.3 Ų41.332%0.31822%0.223SC..SBendtrans-79.1160170.8-62.3174.6-178.700110.9Y145 M148 L202 T206 I230Y145-E204 HydrophobicContact CE1-CG 4.33Å; Y145-E204 WeakPolarHBondContact CE1-OE1 3.05Å; Y145-E204 PolarHBondContact OH-OE1 2.62Å; M148-E204 VanDerWaalsContact CE-OE1 3.26Å; M148-E204 WeakPolarHBondContact CE-OE1 3.43Å; M148-E204 WeakPolarHBondContact CE-OE2 3.31Å; L202-E204 PolarHBondContact O-N 3.38Å; E204-T206 PolarHBondContact O-N 2.91Å; E204-I230 HydrophobicContact CG-CD1 3.72Å; E204-I230 HydrophobicContact CG-CG1 4.08Å
205F91.1Very high89.5Confident135 Ų13545.1 Ų45.159%0.59225%0.249SC*.SBendtrans57.129.2178-52.3-86.1000114.5Q231F205-Q231 HydrophobicContact CD1-CG 3.92Å; F205-Q231 HydrophobicContact CE1-CG 3.78Å; F205-Q231 HydrophobicContact CG-CG 4.42Å; F205-Q231 HydrophobicContact CZ-CB 4.37Å; F205-Q231 HydrophobicContact CZ-CG 4.13Å
206T93.6Very high89.2Confident51 Ų5146.2 Ų46.231%0.31326%0.257SS..SBendtrans-146.5154.7174.7-150.60000111.1P203 E204 I208P203-T206 HydrophobicContact CB-CG2 3.66Å; P203-T206 HydrophobicContact CG-CG2 3.51Å; E204-T206 PolarHBondContact O-N 2.91Å; T206-I208 PolarHBondContact O-N 3.3Å
207D94.9Very high88.9Confident50 Ų5056 Ų5627%0.26729%0.292SS..  trans-71.6125.5177.9-64.4-43.5000110.9Y209 Q229D207-Y209 HydrophobicContact CB-CE1 4.06Å; D207-Y209 HydrophobicContact CB-CE2 3.89Å; D207-Y209 VanDerWaalsContact CB-CZ 3.48Å; D207-Y209 VanDerWaalsContact CB-OH 3.28Å; D207-Y209 WeakPolarHBondContact CB-OH 3.41Å; D207-Q229 VanDerWaalsContact OD1-CG 3.27Å; D207-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D207-Q229 PolarHBondContact OD1-NE2 3.41Å
208I96.1Very high88.6Confident0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-111.2126.1170.6-59.4152.3000107.5H173 L202 P203 T206 F210 L228 I230H173-I208 HydrophobicContact CB-CG1 3.99Å; H173-I208 HydrophobicContact CB-CG2 4.48Å; L202-I208 HydrophobicContact CB-CD1 3.86Å; L202-I208 HydrophobicContact CD1-CD1 4.23Å; L202-I208 HydrophobicContact CD1-CG2 4.48Å; P203-I208 HydrophobicContact CG-CD1 4.38Å; P203-I208 HydrophobicContact CG-CG1 4.23Å; P203-I208 WeakPolarHBondContact O-CD1 3.49Å; T206-I208 PolarHBondContact O-N 3.3Å; I208-F210 HydrophobicContact CB-CE2 3.88Å; I208-F210 HydrophobicContact CB-CZ 4.26Å; I208-F210 HydrophobicContact CG2-CD2 4.23Å; I208-F210 HydrophobicContact CG2-CE1 4.29Å; I208-F210 HydrophobicContact CG2-CE2 3.5Å; I208-F210 HydrophobicContact CG2-CZ 3.54Å; I208-F210 WeakPolarHBondContact O-CD2 3.24Å; I208-F210 WeakPolarHBondContact O-CE2 3.42Å; I208-L228 PolarHBondContact N-O 2.89Å; I208-L228 PolarHBondContact O-N 3.07Å; I208-I230 HydrophobicContact CD1-CB 4.4Å; I208-I230 HydrophobicContact CD1-CD1 4.4Å; I208-I230 HydrophobicContact CD1-CG1 4.05Å; I208-I230 HydrophobicContact CD1-CG2 3.62Å
209Y97Very high89Confident29 Ų2960.1 Ų60.111%0.11431%0.311CS..EExtended strand (participates in β ladder)trans-100.1130.8-175.4-56.6-75.8000109.9L43 Y74 Q91 F171 W172 D207 F226 S227L43-Y209 WeakPolarHBondContact CD1-O 3.42Å; Y74-Y209 HydrophobicContact CD2-CE1 4.19Å; Y74-Y209 AromaticContact CE2-CD1 4Å; Y74-Y209 HydrophobicContact CE2-CD1 4Å; Y74-Y209 AromaticContact CE2-CE1 3.91Å; Y74-Y209 HydrophobicContact CE2-CE1 3.91Å; Q91-Y209 HydrophobicContact CB-CE1 4.03Å; Q91-Y209 HydrophobicContact CB-CE2 4.21Å; Q91-Y209 VanDerWaalsContact CD-CD2 3.48Å; Q91-Y209 HydrophobicContact CG-CD1 3.72Å; Q91-Y209 HydrophobicContact CG-CD2 4.12Å; Q91-Y209 HydrophobicContact CG-CE1 3.46Å; Q91-Y209 VanDerWaalsContact CG-CE1 3.46Å; Q91-Y209 HydrophobicContact CG-CE2 3.88Å; Q91-Y209 HydrophobicContact CG-CG 4.03Å; F171-Y209 CarbonylContact C-O 3.52Å; F171-Y209 VanDerWaalsContact CA-O 3.23Å; F171-Y209 WeakPolarHBondContact CA-O 3.44Å; W172-Y209 AromaticContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CE2 4.38Å; W172-Y209 HydrophobicContact CZ3-CD2 4.04Å; W172-Y209 HydrophobicContact CZ3-CE2 4.18Å; W172-Y209 PolarHBondContact N-O 2.82Å; W172-Y209 PolarHBondContact O-N 2.8Å; D207-Y209 HydrophobicContact CB-CE1 4.06Å; D207-Y209 HydrophobicContact CB-CE2 3.89Å; D207-Y209 VanDerWaalsContact CB-CZ 3.48Å; D207-Y209 VanDerWaalsContact CB-OH 3.28Å; D207-Y209 WeakPolarHBondContact CB-OH 3.41Å; Y209-F226 CarbonylContact C-O 3.34Å; Y209-F226 WeakPolarHBondContact CA-O 3.26Å; Y209-S227 WeakPolarHBondContact CE1-OG 3.42Å
210F97.3Very high90.3Very high1 Ų160.3 Ų60.30%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-118.4143.5-178.1-62.5-94.9000110.1F141 L169 Y170 F171 F197 L202 I208 F225 F226 L228F141-F210 HydrophobicContact CE1-CB 4.11Å; F141-F210 HydrophobicContact CE1-CD2 4.34Å; F141-F210 HydrophobicContact CE1-CG 4.14Å; F141-F210 HydrophobicContact CZ-CB 3.85Å; F141-F210 AromaticContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD2 4.42Å; F141-F210 AromaticContact CZ-CG 3.84Å; F141-F210 HydrophobicContact CZ-CG 3.84Å; L169-F210 HydrophobicContact CD1-CD1 4.41Å; L169-F210 HydrophobicContact CD2-CD1 4.28Å; Y170-F210 WeakPolarHBondContact O-CA 3.46Å; F171-F210 HydrophobicContact CB-CD1 3.73Å; F171-F210 HydrophobicContact CB-CE1 3.86Å; F171-F210 HydrophobicContact CB-CG 4.47Å; F197-F210 HydrophobicContact CZ-CE1 4.03Å; L202-F210 HydrophobicContact CD1-CZ 4.48Å; I208-F210 HydrophobicContact CB-CE2 3.88Å; I208-F210 HydrophobicContact CB-CZ 4.26Å; I208-F210 HydrophobicContact CG2-CD2 4.23Å; I208-F210 HydrophobicContact CG2-CE1 4.29Å; I208-F210 HydrophobicContact CG2-CE2 3.5Å; I208-F210 HydrophobicContact CG2-CZ 3.54Å; I208-F210 WeakPolarHBondContact O-CD2 3.24Å; I208-F210 WeakPolarHBondContact O-CE2 3.42Å; F210-F225 CarbonylContact O-C 3.59Å; F210-F225 VanDerWaalsContact O-CA 3.29Å; F210-F225 WeakPolarHBondContact O-CA 3.45Å; F210-F226 HydrophobicContact CB-CB 4.37Å; F210-F226 HydrophobicContact CB-CD2 4.41Å; F210-F226 PolarHBondContact N-O 3.03Å; F210-F226 PolarHBondContact O-N 2.76Å; F210-L228 HydrophobicContact CD2-CD1 4.45Å; F210-L228 HydrophobicContact CE2-CB 4.17Å; F210-L228 HydrophobicContact CE2-CD1 4.3Å
211C96.8Very high91.6Very high4 Ų455.5 Ų55.53%0.02728%0.279CS..EExtended strand (participates in β ladder)trans-129.8122172.1176.50000109L43 L169 Y170 T224 F225L43-C211 HydrophobicContact CD1-CB 3.94Å; L43-C211 HydrophobicContact CD2-CB 3.75Å; L43-C211 HydrophobicContact CG-CB 4.34Å; L169-C211 WeakPolarHBondContact CA-O 3.05Å; Y170-C211 PolarHBondContact N-O 2.97Å; Y170-C211 PolarHBondContact O-N 2.04Å; C211-T224 WeakPolarHBondContact CA-O 2.99Å; C211-F225 HydrophobicContact CB-CD1 3.71Å; C211-F225 HydrophobicContact CB-CE1 3.69Å; C211-F225 WeakPolarHBondContact SG-CE1 3.36Å
212V96.7Very high92.6Very high1 Ų150.9 Ų50.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-101.9118.3165.8-175.50000108A138 F141 W155 Q167 N168 L169 A223 T224 F226A138-V212 HydrophobicContact CB-CB 3.79Å; A138-V212 HydrophobicContact CB-CG1 3.63Å; A138-V212 HydrophobicContact CB-CG2 4.41Å; F141-V212 HydrophobicContact CD2-CG2 3.99Å; F141-V212 HydrophobicContact CE2-CG2 4.06Å; W155-V212 HydrophobicContact CD2-CG1 4.3Å; W155-V212 HydrophobicContact CD2-CG2 4.26Å; W155-V212 HydrophobicContact CE3-CG2 4.33Å; W155-V212 HydrophobicContact CG-CG1 4.44Å; W155-V212 HydrophobicContact CZ2-CG1 4.41Å; Q167-V212 HydrophobicContact CB-CG1 4.17Å; Q167-V212 HydrophobicContact CG-CG1 4.45Å; N168-V212 WeakPolarHBondContact O-CA 3.36Å; L169-V212 HydrophobicContact CD1-CG2 4.36Å; V212-A223 CarbonylContact O-C 3.56Å; V212-A223 WeakPolarHBondContact O-CA 3.41Å; V212-T224 PolarHBondContact N-O 3.46Å; V212-T224 PolarHBondContact O-N 2.91Å; V212-F226 HydrophobicContact CG2-CE2 4.26Å
213N94.1Very high93Very high48 Ų4851.6 Ų51.626%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-130.6-169177.569.241.1000110.1Q167 N168 Y170 A223Q167-N213 CarbonylContact C-O 3.21Å; Q167-N213 WeakPolarHBondContact CA-O 3.3Å; N168-N213 PolarHBondContact N-O 2.73Å; N168-N213 PolarHBondContact O-N 2.86Å; Y170-N213 WeakPolarHBondContact CD2-ND2 3.32Å; Y170-N213 WeakPolarHBondContact CE2-ND2 3.35Å; Y170-N213 WeakPolarHBondContact CE2-OD1 3.41Å; N213-A223 HydrophobicContact CB-CB 3.93Å
214G92.6Very high93.2Very high12 Ų1251.1 Ų51.112%0.12427%0.266CS..EExtended strand (participates in β ladder)trans168.1-175.7172.100000113.1L166 L221L166-G214 VanDerWaalsContact O-CA 3.23Å; L166-G214 WeakPolarHBondContact O-CA 3.36Å; G214-L221 PolarHBondContact O-N 3.46Å
215S90.4Very high93.4Very high80 Ų8049.5 Ų49.556%0.55926%0.258SS*.EExtended strand (participates in β ladder)trans-140.2159.717963.60000113.1A165 L166A165-S215 WeakPolarHBondContact CA-O 3.17Å; A165-S215 WeakPolarHBondContact CB-O 3.47Å; L166-S215 PolarHBondContact N-O 2.84Å; L166-S215 PolarHBondContact O-N 3.5Å
216S90.3Very high93.7Very high24 Ų2445.3 Ų45.317%0.16824%0.239CC..EExtended strand (participates in β ladder)trans-144173.9179.575.30000110E218 G219S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.07Å; S216-G219 PolarHBondContact N-O 3.33Å; S216-G219 PolarHBondContact O-N 2.85Å; S216-G219 PolarHBondContact OG-N 3.03Å; S216-G219 PolarHBondContact OG-O 2.89Å
217R87.8Confident93.8Very high240 Ų24044.3 Ų44.391%0.90624%0.235SC*.THydrogen-bonded Turntrans-66.6-22.1172.5-66.3-175.7178.8-174.2-1.6113.3G219R217-G219 VanDerWaalsContact C-N 3.35Å
218E87.3Confident93.8Very high131 Ų13143.7 Ų43.761%0.61223%0.231SC*.THydrogen-bonded Turntrans-88.1-5.2179.6-66144.1-110.500112.5L133 P162 S216L133-E218 HydrophobicContact CD1-CB 3.73Å; P162-E218 VanDerWaalsContact CG-OE1 3.24Å; P162-E218 WeakPolarHBondContact CG-OE1 3.49Å; S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.07Å
219G89.2Confident93.8Very high23 Ų2346.2 Ų46.224%0.23724%0.243CC..EExtended strand (participates in β ladder)trans128.1-173.1-178.200000113.7S216 R217S216-G219 PolarHBondContact N-O 3.33Å; S216-G219 PolarHBondContact O-N 2.85Å; S216-G219 PolarHBondContact OG-N 3.03Å; S216-G219 PolarHBondContact OG-O 2.89Å; R217-G219 VanDerWaalsContact C-N 3.35Å
220P92.8Very high93.6Very high75 Ų7545 Ų4549%0.48724%0.238SC..EExtended strand (participates in β ladder)trans-64.3149.5174.727.4-33.8000111.6G132 L133G132-P220 WeakPolarHBondContact CA-O 3.35Å; L133-P220 PolarHBondContact N-O 2.89Å
221L93.6Very high93.4Very high6 Ų645.1 Ų45.13%0.03124%0.239CC..BIsolated β-bridgetrans-78.2158.8168.5-53.4-176.2000109.9T136 T161 A165 Q167 G214 A223T136-L221 HydrophobicContact CG2-CD2 4.21Å; T136-L221 WeakPolarHBondContact OG1-CA 3.3Å; T161-L221 HydrophobicContact CG2-CD1 3.82Å; T161-L221 HydrophobicContact CG2-CD2 4.2Å; A165-L221 HydrophobicContact CB-CD1 4.1Å; A165-L221 HydrophobicContact CB-CD2 4.04Å; Q167-L221 HydrophobicContact CG-CD1 3.56Å; G214-L221 PolarHBondContact O-N 3.46Å; L221-A223 PolarHBondContact O-N 2.66Å
222K94.5Very high93.3Very high46 Ų4646 Ų4620%0.224%0.243CC..  trans-70.8114.1174.1-172.459173.2175.40109.4T131 T136 E137T131-K222 WeakPolarHBondContact O-CD 3.38Å; T131-K222 PolarHBondContact O-NZ 3.39Å; T136-K222 PolarHBondContact OG1-N 3.13Å; E137-K222 WeakPolarHBondContact CA-O 3.34Å; E137-K222 HydrophobicContact CB-CB 4.17Å; E137-K222 HydrophobicContact CB-CG 4.27Å
223A94.9Very high93.3Very high26 Ų2647.2 Ų47.222%0.21525%0.249CC..  trans-63.4149.1175.500000111.1V212 N213 L221 F225V212-A223 CarbonylContact O-C 3.56Å; V212-A223 WeakPolarHBondContact O-CA 3.41Å; N213-A223 HydrophobicContact CB-CB 3.93Å; L221-A223 PolarHBondContact O-N 2.66Å; A223-F225 HydrophobicContact CB-CE2 3.94Å; A223-F225 HydrophobicContact CB-CZ 4.23Å
224T95.2Very high93.3Very high24 Ų2445 Ų4515%0.14724%0.237CC..EExtended strand (participates in β ladder)trans-134.7132.7178.9-36.30000109.1A138 C211 V212 F226A138-T224 PolarHBondContact N-OG1 3.45Å; C211-T224 WeakPolarHBondContact CA-O 2.99Å; V212-T224 PolarHBondContact N-O 3.46Å; V212-T224 PolarHBondContact O-N 2.91Å; T224-F226 HydrophobicContact CG2-CE1 3.94Å; T224-F226 HydrophobicContact CG2-CE2 4.02Å; T224-F226 HydrophobicContact CG2-CZ 3.39Å
225F95.9Very high93.4Very high34 Ų3446.3 Ų46.315%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-117.1146-172.8-61-94.5000111.4L43 P94 F210 C211 A223L43-F225 HydrophobicContact CB-CE1 4.49Å; P94-F225 HydrophobicContact CB-CD2 4.39Å; P94-F225 HydrophobicContact CB-CE1 4.27Å; P94-F225 HydrophobicContact CB-CE2 3.85Å; P94-F225 HydrophobicContact CB-CZ 3.79Å; P94-F225 HydrophobicContact CG-CD1 4.12Å; P94-F225 HydrophobicContact CG-CD2 4.47Å; P94-F225 HydrophobicContact CG-CE1 3.8Å; P94-F225 HydrophobicContact CG-CE2 4.2Å; P94-F225 HydrophobicContact CG-CG 4.45Å; P94-F225 HydrophobicContact CG-CZ 3.85Å; F210-F225 CarbonylContact O-C 3.59Å; F210-F225 VanDerWaalsContact O-CA 3.29Å; F210-F225 WeakPolarHBondContact O-CA 3.45Å; C211-F225 HydrophobicContact CB-CD1 3.71Å; C211-F225 HydrophobicContact CB-CE1 3.69Å; C211-F225 WeakPolarHBondContact SG-CE1 3.36Å; A223-F225 HydrophobicContact CB-CE2 3.94Å; A223-F225 HydrophobicContact CB-CZ 4.23Å
226F96.1Very high93.5Very high46 Ų4642.7 Ų42.720%0.20221%0.214CC..EExtended strand (participates in β ladder)trans-141.9148.8-177.1-47.3-82.7000109.9F141 Y209 F210 V212 T224F141-F226 HydrophobicContact CB-CD1 4.07Å; F141-F226 HydrophobicContact CB-CD2 4.08Å; F141-F226 HydrophobicContact CB-CE1 3.59Å; F141-F226 HydrophobicContact CB-CE2 3.6Å; F141-F226 HydrophobicContact CB-CG 4.3Å; F141-F226 HydrophobicContact CB-CZ 3.33Å; F141-F226 HydrophobicContact CD1-CB 3.92Å; F141-F226 AromaticContact CD1-CD1 3.88Å; F141-F226 HydrophobicContact CD1-CD1 3.88Å; F141-F226 AromaticContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CD2 3.46Å; F141-F226 VanDerWaalsContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CE1 4.28Å; F141-F226 AromaticContact CD1-CE2 3.9Å; F141-F226 HydrophobicContact CD1-CE2 3.9Å; F141-F226 AromaticContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CG 3.45Å; F141-F226 VanDerWaalsContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CZ 4.29Å; F141-F226 HydrophobicContact CD2-CD2 4.13Å; F141-F226 AromaticContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CE1-CB 4.01Å; F141-F226 AromaticContact CE1-CD2 3.86Å; F141-F226 HydrophobicContact CE1-CD2 3.86Å; F141-F226 AromaticContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE2-CD2 4.5Å; F141-F226 HydrophobicContact CG-CD1 4.24Å; F141-F226 AromaticContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CE1 4.18Å; F141-F226 AromaticContact CG-CE2 3.54Å; F141-F226 HydrophobicContact CG-CE2 3.54Å; F141-F226 AromaticContact CG-CG 3.98Å; F141-F226 HydrophobicContact CG-CG 3.98Å; F141-F226 AromaticContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CZ-CD2 4.37Å; Y209-F226 CarbonylContact C-O 3.34Å; Y209-F226 WeakPolarHBondContact CA-O 3.26Å; F210-F226 HydrophobicContact CB-CB 4.37Å; F210-F226 HydrophobicContact CB-CD2 4.41Å; F210-F226 PolarHBondContact N-O 3.03Å; F210-F226 PolarHBondContact O-N 2.76Å; V212-F226 HydrophobicContact CG2-CE2 4.26Å; T224-F226 HydrophobicContact CG2-CE1 3.94Å; T224-F226 HydrophobicContact CG2-CE2 4.02Å; T224-F226 HydrophobicContact CG2-CZ 3.39Å
227S96Very high93.6Very high31 Ų3144.6 Ų44.622%0.21723%0.225CC..EExtended strand (participates in β ladder)trans-120.1130.3167.9-175.80000108.3Y209Y209-S227 WeakPolarHBondContact CE1-OG 3.42Å
228L95.1Very high93.9Very high37 Ų3734.2 Ų34.219%0.19419%0.19CC..EExtended strand (participates in β ladder)trans-142.2148.3178.9-64.1174.2000110.3F141 C143 I208 F210F141-L228 HydrophobicContact CD1-CD1 4.4Å; F141-L228 HydrophobicContact CE1-CD1 3.79Å; C143-L228 HydrophobicContact CB-CD1 4.04Å; I208-L228 PolarHBondContact N-O 2.89Å; I208-L228 PolarHBondContact O-N 3.07Å; F210-L228 HydrophobicContact CD2-CD1 4.45Å; F210-L228 HydrophobicContact CE2-CB 4.17Å; F210-L228 HydrophobicContact CE2-CD1 4.3Å
229Q95.4Very high94.1Very high52 Ų5228 Ų2824%0.24316%0.161CC..  trans-109.5122.1165.7-50.9-165.20.300108.5D207 Q231 N232D207-Q229 VanDerWaalsContact OD1-CG 3.27Å; D207-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D207-Q229 PolarHBondContact OD1-NE2 3.41Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.97Å; Q229-N232 WeakPolarHBondContact O-CB 3.22Å; Q229-N232 PolarHBondContact O-N 2.73Å; Q229-N232 VanDerWaalsContact O-N 3.09Å
230I93.8Very high94Very high3 Ų332.5 Ų32.52%0.01518%0.18CC..G310 helixtrans-67.5-27.4-165.250.9162.7000114.6Y145 L151 L202 E204 I208 N232 Q233Y145-I230 HydrophobicContact CD1-CB 4.21Å; Y145-I230 HydrophobicContact CD1-CD1 4.4Å; Y145-I230 HydrophobicContact CE1-CD1 3.98Å; L151-I230 HydrophobicContact CD1-CG2 4.03Å; L151-I230 HydrophobicContact CD2-CG2 3.8Å; L202-I230 HydrophobicContact CB-CD1 4Å; L202-I230 WeakPolarHBondContact O-CD1 3.46Å; E204-I230 HydrophobicContact CG-CD1 3.72Å; E204-I230 HydrophobicContact CG-CG1 4.08Å; I208-I230 HydrophobicContact CD1-CB 4.4Å; I208-I230 HydrophobicContact CD1-CD1 4.4Å; I208-I230 HydrophobicContact CD1-CG1 4.05Å; I208-I230 HydrophobicContact CD1-CG2 3.62Å; I230-N232 PolarHBondContact O-N 3.46Å; I230-Q233 WeakPolarHBondContact O-CB 3.33Å; I230-Q233 PolarHBondContact O-N 3.46Å
231Q92.5Very high94Very high4 Ų433.3 Ų33.32%0.01918%0.176CC..G310 helixtrans-63.5-34.2174.978.9-70.6-10.700111F205 Q229 Q233 V234 V319F205-Q231 HydrophobicContact CD1-CG 3.92Å; F205-Q231 HydrophobicContact CE1-CG 3.78Å; F205-Q231 HydrophobicContact CG-CG 4.42Å; F205-Q231 HydrophobicContact CZ-CB 4.37Å; F205-Q231 HydrophobicContact CZ-CG 4.13Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.97Å; Q231-Q233 PolarHBondContact O-N 3.27Å; Q231-Q233 VanDerWaalsContact O-N 3.13Å; Q231-V234 WeakPolarHBondContact O-CG2 3.39Å; Q231-V234 PolarHBondContact O-N 3.32Å; Q231-V319 HydrophobicContact CB-CG1 3.95Å; Q231-V319 HydrophobicContact CG-CG1 3.86Å; Q231-V319 WeakPolarHBondContact O-CG1 3.44Å
232N95.6Very high94Very high23 Ų2334.3 Ų34.312%0.12318%0.181CC..G310 helixtrans-76.57.1175.8-65.5-14.2000113Q229 I230 V319 D320 Q321Q229-N232 WeakPolarHBondContact O-CB 3.22Å; Q229-N232 PolarHBondContact O-N 2.73Å; Q229-N232 VanDerWaalsContact O-N 3.09Å; I230-N232 PolarHBondContact O-N 3.46Å; N232-V319 WeakPolarHBondContact OD1-CB 3.3Å; N232-D320 PolarHBondContact ND2-OD2 2.82Å; N232-D320 PolarHBondContact OD1-N 2.83Å; N232-Q321 CarbonylContact C-O 3.48Å; N232-Q321 WeakPolarHBondContact CA-O 3.49Å
233Q95.8Very high93.9Very high26 Ų2635.8 Ų35.812%0.12119%0.188CC..G310 helixtrans-121.514.6-179.5-56.6-67.7-91.300112.1C143 Y145 I230 Q231 F323C143-Q233 PolarHBondContact O-OE1 2.89Å; Y145-Q233 PolarHBondContact N-O 3.12Å; I230-Q233 WeakPolarHBondContact O-CB 3.33Å; I230-Q233 PolarHBondContact O-N 3.46Å; Q231-Q233 PolarHBondContact O-N 3.27Å; Q231-Q233 VanDerWaalsContact O-N 3.13Å; Q233-F323 HydrophobicContact CB-CE2 4.3Å; Q233-F323 WeakPolarHBondContact O-CD2 3.43Å; Q233-F323 VanDerWaalsContact O-CE2 3.31Å; Q233-F323 WeakPolarHBondContact O-CE2 3.42Å
234V93.7Very high93.8Very high1 Ų136 Ų361%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-70132.1-177.2172.90000111.9Y145 M148 Q231 V236 L263 L314 F323Y145-V234 HydrophobicContact CD1-CG2 3.74Å; Y145-V234 HydrophobicContact CG-CG2 4.25Å; Y145-V234 VanDerWaalsContact O-CA 3.3Å; Y145-V234 WeakPolarHBondContact O-CA 3.45Å; M148-V234 HydrophobicContact CG-CG1 4.22Å; M148-V234 HydrophobicContact CG-CG2 3.6Å; M148-V234 HydrophobicContact SD-CG2 4.43Å; Q231-V234 WeakPolarHBondContact O-CG2 3.39Å; Q231-V234 PolarHBondContact O-N 3.32Å; V234-V236 HydrophobicContact CG1-CG1 3.85Å; V234-L263 HydrophobicContact CG1-CD2 4.35Å; V234-L314 HydrophobicContact CB-CD1 3.82Å; V234-L314 HydrophobicContact CG1-CD1 3.84Å; V234-L314 HydrophobicContact CG1-CG 4.2Å; V234-L314 HydrophobicContact CG2-CD1 4.05Å; V234-F323 PolarHBondContact O-N 2.92Å
235K95.1Very high93.5Very high41 Ų4139.5 Ų39.518%0.17820%0.2CC..EExtended strand (participates in β ladder)trans-116.1120.4160.1-168-174.3-173-167.20108.4V144 Y145 H146 N147 F323 W324 D326V144-K235 HydrophobicContact CG1-CB 3.46Å; V144-K235 VanDerWaalsContact CG1-CB 3.46Å; V144-K235 HydrophobicContact CG1-CD 4.45Å; Y145-K235 PolarHBondContact O-N 3.14Å; H146-K235 WeakPolarHBondContact CA-O 3.32Å; N147-K235 PolarHBondContact N-O 3.17Å; K235-F323 HydrophobicContact CB-CB 3.8Å; K235-F323 HydrophobicContact CB-CD2 4.22Å; K235-F323 HydrophobicContact CB-CG 4.41Å; K235-F323 HydrophobicContact CG-CB 3.89Å; K235-W324 WeakPolarHBondContact CE-O 3.01Å; K235-D326 IonicContact NZ-OD1 2.69Å; K235-D326 PolarHBondContact NZ-OD1 3.44Å; K235-D326 IonicContact NZ-OD2 2.73Å; K235-D326 PolarHBondContact NZ-OD2 3.46Å
236V92.6Very high93Very high3 Ų340.6 Ų40.62%0.01821%0.21CC..PPolyproline II helixtrans-86.3154.9174.9-52.90000110.3V234 L263 L268 S312 S325V234-V236 HydrophobicContact CG1-CG1 3.85Å; V236-L263 HydrophobicContact CB-CD1 4.01Å; V236-L263 HydrophobicContact CG1-CD1 3.58Å; V236-L263 HydrophobicContact CG1-CD2 3.83Å; V236-L263 HydrophobicContact CG1-CG 4.37Å; V236-L268 HydrophobicContact CG1-CD2 4.33Å; V236-S312 VanDerWaalsContact CG2-OG 3.24Å; V236-S312 WeakPolarHBondContact CG2-OG 3.38Å; V236-S325 WeakPolarHBondContact O-CA 3.47Å; V236-S325 WeakPolarHBondContact O-CB 3.44Å
237T92.6Very high92.2Very high65 Ų6542.1 Ų42.140%0.39923%0.226SC..PPolyproline II helixtrans-72.3149.4176.2-61.10000110.6N147 P259N147-T237 VanDerWaalsContact CG-OG1 3.23Å; N147-T237 PolarHBondContact ND2-OG1 2.82Å; N147-T237 WeakPolarHBondContact OD1-CB 3.26Å; N147-T237 PolarHBondContact OD1-N 2.86Å; N147-T237 PolarHBondContact OD1-OG1 3.36Å; T237-P259 WeakPolarHBondContact O-CG 3.32Å
238A93.5Very high91.3Very high21 Ų2142.7 Ų42.717%0.17423%0.23CC..PPolyproline II helixtrans-64.4141.8175.800000110.7D240 D326A238-D240 PolarHBondContact O-N 3.25Å; A238-D326 WeakPolarHBondContact CB-O 3.34Å
239P91.6Very high90.4Very high2 Ų246.5 Ų46.51%0.01325%0.251CS..PPolyproline II helixtrans-58.9128.2172.4-26.637.8000111.4L242 W256 P259 W270 V310 S328P239-L242 HydrophobicContact CB-CD2 4.07Å; P239-W256 HydrophobicContact CB-CB 4.46Å; P239-P259 HydrophobicContact CG-CG 4.44Å; P239-W270 HydrophobicContact CG-CE3 4.43Å; P239-W270 HydrophobicContact CG-CZ3 3.67Å; P239-V310 HydrophobicContact CB-CG1 3.92Å; P239-V310 HydrophobicContact CG-CG1 3.88Å; P239-S328 WeakPolarHBondContact O-CB 3.35Å
240D88.8Confident89.8Confident116 Ų11648.5 Ų48.562%0.6227%0.267SS*.  trans-97.2-41.1-178.662.5-27.9000111.7A238A238-D240 PolarHBondContact O-N 3.25Å
241K91.5Very high89.6Confident93 Ų9352.5 Ų52.540%0.40429%0.285SS..  trans-89.2105.6177.5-62174.4-178.1179.50111.2W256 E257K241-W256 WeakPolarHBondContact O-CA 3.31Å; K241-W256 WeakPolarHBondContact O-CB 3.21Å; K241-E257 HydrophobicContact CB-CB 4.23Å; K241-E257 HydrophobicContact CB-CG 4.34Å; K241-E257 HydrophobicContact CD-CB 4.12Å; K241-E257 HydrophobicContact CD-CG 3.91Å; K241-E257 WeakPolarHBondContact CD-OE1 3.45Å; K241-E257 WeakPolarHBondContact CD-OE2 3.24Å; K241-E257 IonicContact NZ-OE1 3.12Å; K241-E257 PolarHBondContact NZ-OE1 3.13Å; K241-E257 IonicContact NZ-OE2 3.51Å; K241-E257 PolarHBondContact NZ-OE2 2.68Å; K241-E257 PolarHBondContact O-N 2.68Å
242L93.5Very high89.5Confident26 Ų2652.5 Ų52.514%0.13629%0.285CS..EExtended strand (participates in β ladder)trans-115.7136.9177-55.2-175.8000109.9P239 F254 W256 V310 L329 T331P239-L242 HydrophobicContact CB-CD2 4.07Å; L242-F254 HydrophobicContact CB-CE2 4.17Å; L242-F254 HydrophobicContact CD1-CE2 4.46Å; L242-F254 HydrophobicContact CD1-CZ 4.42Å; L242-F254 HydrophobicContact CD2-CE2 4.45Å; L242-F254 HydrophobicContact CD2-CZ 4.18Å; L242-W256 HydrophobicContact CD2-CB 3.69Å; L242-V310 HydrophobicContact CD2-CG1 3.52Å; L242-L329 WeakPolarHBondContact CD1-O 3.48Å; L242-T331 WeakPolarHBondContact CB-OG1 3.34Å; L242-T331 WeakPolarHBondContact CD1-OG1 3.39Å
243H93Very high89.4Confident77 Ų7753.9 Ų53.936%0.35629%0.291SS..EExtended strand (participates in β ladder)trans-126.9129.9179.3-57.3-84.4000108.9F254 H255H243-F254 WeakPolarHBondContact O-CA 3.21Å; H243-F254 WeakPolarHBondContact O-CD2 3.33Å; H243-H255 WeakPolarHBondContact CB-CE1 3.37Å; H243-H255 WeakPolarHBondContact CB-NE2 3.15Å; H243-H255 AromaticContact CD2-CE1 3.59Å; H243-H255 AromaticContact CD2-ND1 3.78Å; H243-H255 AromaticContact CG-CE1 3.49Å; H243-H255 VanDerWaalsContact CG-CE1 3.49Å; H243-H255 AromaticContact CG-ND1 3.99Å; H243-H255 AromaticContact CG-NE2 3.94Å; H243-H255 PolarHBondContact N-O 2.88Å; H243-H255 PolarHBondContact O-N 3.35Å; H243-H255 VanDerWaalsContact O-O 3.14Å
244L91.8Very high89.4Confident31 Ų3152.8 Ų52.816%0.16229%0.286CS..EExtended strand (participates in β ladder)trans-136.6108.1-176.5-176.164.2000108.4L252 E253 F254 F308 T331 C332 H333L244-L252 HydrophobicContact CD1-CD1 3.9Å; L244-L252 HydrophobicContact CD1-CD2 4.02Å; L244-L252 HydrophobicContact CD1-CG 3.78Å; L244-L252 HydrophobicContact CG-CD1 4.16Å; L244-E253 WeakPolarHBondContact CA-O 3.5Å; L244-F254 HydrophobicContact CB-CD2 4.29Å; L244-F254 HydrophobicContact CD1-CB 3.8Å; L244-F254 HydrophobicContact CD1-CD2 3.93Å; L244-F254 HydrophobicContact CD1-CG 4.25Å; L244-F308 HydrophobicContact CD1-CD2 3.7Å; L244-F308 HydrophobicContact CD1-CE2 3.56Å; L244-F308 HydrophobicContact CD1-CZ 4.4Å; L244-F308 HydrophobicContact CD2-CD2 3.77Å; L244-F308 HydrophobicContact CD2-CE2 4.03Å; L244-F308 HydrophobicContact CG-CD2 4.41Å; L244-F308 HydrophobicContact CG-CE2 4.47Å; L244-T331 HydrophobicContact CB-CG2 3.75Å; L244-T331 HydrophobicContact CD2-CG2 3.94Å; L244-C332 VanDerWaalsContact CD2-C 3.49Å; L244-H333 HydrophobicContact CD2-CB 3.7Å; L244-H333 HydrophobicContact CG-CB 4.15Å
245Q89.3Confident89.4Confident98 Ų9855.5 Ų55.546%0.45830%0.298SS..EExtended strand (participates in β ladder)trans-135.1148.6-171.866.8-177.78.600112.2E253Q245-E253 HydrophobicContact CG-CB 4.14Å; Q245-E253 PolarHBondContact N-O 2.73Å; Q245-E253 PolarHBondContact NE2-OE2 2.99Å; Q245-E253 PolarHBondContact O-N 2.83Å
246T86.3Confident89.4Confident57 Ų5754 Ų5435%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-91.3108.9177.6-55.10000108.3S248 F299 H333T246-S248 WeakPolarHBondContact CG2-O 3.06Å; T246-F299 HydrophobicContact CG2-CD1 3.94Å; T246-F299 HydrophobicContact CG2-CE1 3.86Å; T246-H333 PolarHBondContact OG1-CE1 3.47Å
247S78Confident89.4Confident78 Ų7858.1 Ų58.155%0.54531%0.311SS..EExtended strand (participates in β ladder)trans-75-35.3-179.3177.70000111.4E251S247-E251 PolarHBondContact N-O 3.18Å
248S77.6Confident89.2Confident43 Ų4358.1 Ų58.130%0.30131%0.308SS..EExtended strand (participates in β ladder)trans-152.2167.7173.363.20000109.5T246 T250 E251T246-S248 WeakPolarHBondContact CG2-O 3.06Å; S248-T250 PolarHBondContact O-N 3.14Å; S248-T250 PolarHBondContact OG-N 2.94Å; S248-T250 PolarHBondContact OG-OG1 3.08Å; S248-T250 VanDerWaalsContact OG-OG1 3.07Å; S248-E251 PolarHBondContact O-N 2.97Å; S248-E251 WeakPolarHBondContact OG-CB 3.38Å; S248-E251 PolarHBondContact OG-N 3.06Å
249D76.8Confident88.8Confident116 Ų11657.7 Ų57.762%0.6230%0.304SS*.THydrogen-bonded Turntrans-53.2-13.8173-75.9-63.4000114.4N301D249-N301 PolarHBondContact OD1-ND2 2.87Å
250T83.6Confident88Confident94 Ų9462.4 Ų62.458%0.57733%0.332SS*.THydrogen-bonded Turntrans-114.1-4.7-178.947.10000115S248 F299S248-T250 PolarHBondContact O-N 3.14Å; S248-T250 PolarHBondContact OG-N 2.94Å; S248-T250 PolarHBondContact OG-OG1 3.08Å; S248-T250 VanDerWaalsContact OG-OG1 3.07Å; T250-F299 PolarHBondContact O-N 2.91Å
251E89.7Confident87.1Confident87 Ų8758.6 Ų58.641%0.40732%0.321SS..EExtended strand (participates in β ladder)trans-137.2128.6-175.9-65-173.9145.400113.9S247 S248 T296S247-E251 PolarHBondContact N-O 3.18Å; S248-E251 PolarHBondContact O-N 2.97Å; S248-E251 WeakPolarHBondContact OG-CB 3.38Å; S248-E251 PolarHBondContact OG-N 3.06Å; E251-T296 HydrophobicContact CB-CG2 4.25Å; E251-T296 HydrophobicContact CG-CG2 4.47Å
252L90.3Very high86.3Confident5 Ų561.6 Ų61.63%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-109.5119.7173.6-174.567.4000108.8L244 L297 F299 N306 F308 H333L244-L252 HydrophobicContact CD1-CD1 3.9Å; L244-L252 HydrophobicContact CD1-CD2 4.02Å; L244-L252 HydrophobicContact CD1-CG 3.78Å; L244-L252 HydrophobicContact CG-CD1 4.16Å; L252-L297 PolarHBondContact N-O 3.22Å; L252-L297 PolarHBondContact O-N 3.32Å; L252-F299 HydrophobicContact CB-CB 3.83Å; L252-F299 HydrophobicContact CB-CD2 4.05Å; L252-F299 HydrophobicContact CB-CG 4.02Å; L252-F299 HydrophobicContact CD2-CD2 4.2Å; L252-N306 HydrophobicContact CD2-CB 3.73Å; L252-F308 HydrophobicContact CD2-CE2 3.81Å; L252-F308 HydrophobicContact CD2-CZ 4.03Å; L252-H333 HydrophobicContact CD1-CB 4.03Å; L252-H333 HydrophobicContact CD2-CB 4.27Å
253E93.3Very high85.6Confident52 Ų5261.4 Ų61.424%0.24333%0.329CS..EExtended strand (participates in β ladder)trans-100.7126178.2-176.4177.4-14500110L244 Q245L244-E253 WeakPolarHBondContact CA-O 3.5Å; Q245-E253 HydrophobicContact CG-CB 4.14Å; Q245-E253 PolarHBondContact N-O 2.73Å; Q245-E253 PolarHBondContact NE2-OE2 2.99Å; Q245-E253 PolarHBondContact O-N 2.83Å
254F94.4Very high85.2Confident2 Ų260.2 Ų60.21%0.00933%0.328CS..EExtended strand (participates in β ladder)trans-118.4117.8175178.2-122.2000108.7L242 H243 L244 W256 V272 S294 L295 F308 V310L242-F254 HydrophobicContact CB-CE2 4.17Å; L242-F254 HydrophobicContact CD1-CE2 4.46Å; L242-F254 HydrophobicContact CD1-CZ 4.42Å; L242-F254 HydrophobicContact CD2-CE2 4.45Å; L242-F254 HydrophobicContact CD2-CZ 4.18Å; H243-F254 WeakPolarHBondContact O-CA 3.21Å; H243-F254 WeakPolarHBondContact O-CD2 3.33Å; L244-F254 HydrophobicContact CB-CD2 4.29Å; L244-F254 HydrophobicContact CD1-CB 3.8Å; L244-F254 HydrophobicContact CD1-CD2 3.93Å; L244-F254 HydrophobicContact CD1-CG 4.25Å; F254-W256 AromaticContact CD1-CE3 3.71Å; F254-W256 HydrophobicContact CD1-CE3 3.71Å; F254-W256 AromaticContact CD1-CZ3 3.44Å; F254-W256 HydrophobicContact CD1-CZ3 3.44Å; F254-W256 VanDerWaalsContact CD1-CZ3 3.44Å; F254-W256 AromaticContact CE1-CE3 3.52Å; F254-W256 HydrophobicContact CE1-CE3 3.52Å; F254-W256 AromaticContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CG-CE3 4.35Å; F254-W256 HydrophobicContact CG-CZ3 4.3Å; F254-W256 HydrophobicContact CZ-CE3 4.04Å; F254-V272 HydrophobicContact CD1-CG1 4.06Å; F254-V272 HydrophobicContact CE1-CG1 3.87Å; F254-V272 HydrophobicContact CE1-CG2 4.26Å; F254-S294 CarbonylContact O-C 3.57Å; F254-S294 VanDerWaalsContact O-CA 3.3Å; F254-S294 WeakPolarHBondContact O-CA 2.88Å; F254-L295 PolarHBondContact N-O 2.8Å; F254-L295 PolarHBondContact O-N 2.91Å; F254-F308 HydrophobicContact CD1-CB 4.07Å; F254-F308 AromaticContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CG 4.05Å; F254-F308 HydrophobicContact CD2-CB 4.07Å; F254-F308 HydrophobicContact CD2-CD2 4.42Å; F254-F308 HydrophobicContact CD2-CG 4.16Å; F254-F308 HydrophobicContact CE1-CB 3.77Å; F254-F308 HydrophobicContact CE1-CD1 4.32Å; F254-F308 HydrophobicContact CE1-CG 4.26Å; F254-F308 HydrophobicContact CE2-CB 3.74Å; F254-F308 HydrophobicContact CE2-CG 4.34Å; F254-F308 HydrophobicContact CG-CB 4.22Å; F254-F308 HydrophobicContact CG-CD1 4.16Å; F254-F308 HydrophobicContact CG-CD2 4.47Å; F254-F308 HydrophobicContact CG-CG 4.02Å; F254-F308 HydrophobicContact CZ-CB 3.59Å; F254-F308 HydrophobicContact CZ-CG 4.4Å; F254-V310 HydrophobicContact CE1-CB 4.25Å; F254-V310 HydrophobicContact CZ-CB 4.4Å; F254-V310 HydrophobicContact CZ-CG1 4.25Å
255H94.9Very high84.9Confident58 Ų5861.4 Ų61.427%0.26934%0.342SS..EExtended strand (participates in β ladder)trans-137.1158.2178.174.386.5000111.5H243 P293H243-H255 WeakPolarHBondContact CB-CE1 3.37Å; H243-H255 WeakPolarHBondContact CB-NE2 3.15Å; H243-H255 AromaticContact CD2-CE1 3.59Å; H243-H255 AromaticContact CD2-ND1 3.78Å; H243-H255 AromaticContact CG-CE1 3.49Å; H243-H255 VanDerWaalsContact CG-CE1 3.49Å; H243-H255 AromaticContact CG-ND1 3.99Å; H243-H255 AromaticContact CG-NE2 3.94Å; H243-H255 PolarHBondContact N-O 2.88Å; H243-H255 PolarHBondContact O-N 3.35Å; H243-H255 VanDerWaalsContact O-O 3.14Å; H255-P293 WeakPolarHBondContact CA-O 3.36Å
256W94.8Very high84.9Confident9 Ų963.6 Ų63.63%0.03435%0.352CS..EExtended strand (participates in β ladder)trans-146159.7-174.454.591000111.2P239 K241 L242 F254 W270 V272 T290 K292 P293 L295 V310P239-W256 HydrophobicContact CB-CB 4.46Å; K241-W256 WeakPolarHBondContact O-CA 3.31Å; K241-W256 WeakPolarHBondContact O-CB 3.21Å; L242-W256 HydrophobicContact CD2-CB 3.69Å; F254-W256 AromaticContact CD1-CE3 3.71Å; F254-W256 HydrophobicContact CD1-CE3 3.71Å; F254-W256 AromaticContact CD1-CZ3 3.44Å; F254-W256 HydrophobicContact CD1-CZ3 3.44Å; F254-W256 VanDerWaalsContact CD1-CZ3 3.44Å; F254-W256 AromaticContact CE1-CE3 3.52Å; F254-W256 HydrophobicContact CE1-CE3 3.52Å; F254-W256 AromaticContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CG-CE3 4.35Å; F254-W256 HydrophobicContact CG-CZ3 4.3Å; F254-W256 HydrophobicContact CZ-CE3 4.04Å; W256-W270 AromaticContact CD1-CE3 3.93Å; W256-W270 AromaticContact CD1-CH2 3.7Å; W256-W270 AromaticContact CD1-CZ3 3.54Å; W256-W270 AromaticContact CE2-CD2 3.87Å; W256-W270 AromaticContact CE2-CE3 3.87Å; W256-W270 HydrophobicContact CZ2-CB 3.94Å; W256-W270 AromaticContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CE3 4.22Å; W256-W270 AromaticContact CZ2-CG 3.72Å; W256-W270 HydrophobicContact CZ2-CG 3.72Å; W256-W270 AromaticContact NE1-CD2 3.27Å; W256-W270 VanDerWaalsContact NE1-CD2 3.27Å; W256-W270 AromaticContact NE1-CE2 3.53Å; W256-W270 AromaticContact NE1-CE3 3.05Å; W256-W270 AromaticContact NE1-CH2 3.37Å; W256-W270 AromaticContact NE1-CZ2 3.59Å; W256-W270 AromaticContact NE1-CZ3 3.11Å; W256-V272 HydrophobicContact CH2-CG2 3.56Å; W256-V272 HydrophobicContact CZ2-CG2 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 3.98Å; W256-T290 HydrophobicContact CH2-CG2 4.08Å; W256-T290 HydrophobicContact CZ2-CG2 4.24Å; W256-K292 WeakPolarHBondContact CZ2-O 3.08Å; W256-P293 VanDerWaalsContact CE2-C 3.49Å; W256-P293 VanDerWaalsContact CE2-CA 3.41Å; W256-P293 VanDerWaalsContact CZ2-C 3.5Å; W256-P293 VanDerWaalsContact CZ2-CA 3.47Å; W256-P293 PolarHBondContact N-O 2.67Å; W256-L295 HydrophobicContact CZ3-CB 4.47Å; W256-V310 HydrophobicContact CD2-CG1 4.32Å; W256-V310 HydrophobicContact CD2-CG2 4.14Å; W256-V310 HydrophobicContact CG-CG1 4.27Å; W256-V310 HydrophobicContact CH2-CG2 4.47Å; W256-V310 HydrophobicContact CZ2-CG2 3.92Å
257E91.6Very high85.3Confident90 Ų9061.3 Ų61.342%0.42134%0.338SS..PPolyproline II helixtrans-83.2159.8171.7-72.7-169.1-145.600111.8K241K241-E257 HydrophobicContact CB-CB 4.23Å; K241-E257 HydrophobicContact CB-CG 4.34Å; K241-E257 HydrophobicContact CD-CB 4.12Å; K241-E257 HydrophobicContact CD-CG 3.91Å; K241-E257 WeakPolarHBondContact CD-OE1 3.45Å; K241-E257 WeakPolarHBondContact CD-OE2 3.24Å; K241-E257 IonicContact NZ-OE1 3.12Å; K241-E257 PolarHBondContact NZ-OE1 3.13Å; K241-E257 IonicContact NZ-OE2 3.51Å; K241-E257 PolarHBondContact NZ-OE2 2.68Å; K241-E257 PolarHBondContact O-N 2.68Å
258N88.9Confident86Confident66 Ų6657.7 Ų57.735%0.35331%0.313SS..PPolyproline II helixtrans-71.3141.9173.4-66.3-31.5000110.7A265 L268 W270N258-A265 WeakPolarHBondContact ND2-CB 3.24Å; N258-L268 HydrophobicContact CB-CD1 4.18Å; N258-W270 WeakPolarHBondContact OD1-CZ2 3.47Å
259P84.8Confident86.8Confident11 Ų1157.2 Ų57.27%0.07131%0.306CS..PPolyproline II helixtrans-50.6144.9170.3-29.334.5000113.5T237 P239 L263T237-P259 WeakPolarHBondContact O-CG 3.32Å; P239-P259 HydrophobicContact CG-CG 4.44Å; P259-L263 HydrophobicContact CB-CD1 4.43Å
260T74.9Confident87.8Confident101 Ų10151.8 Ų51.862%0.6228%0.277SS*.SBendtrans-67.1144.5175.447.20000112
261G70.4Confident88.4Confident37 Ų3747.8 Ų47.838%0.38125%0.252SS..SBendtrans138-162.8-179.700000112L263G261-L263 VanDerWaalsContact C-N 3.3Å; G261-L263 PolarHBondContact O-N 2.74Å
262R74Confident88.8Confident155 Ų15543.7 Ų43.759%0.58523%0.232SC*.SBendtrans-90.714.2-179.7-64.5-178.2175.2172.40.9114.2Y201 P264Y201-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y201-R262 PolarHBondContact OH-NH1 2.97Å; Y201-R262 PolarHBondContact OH-NH2 3.36Å; R262-P264 WeakPolarHBondContact O-CD 3.38Å
263L79.8Confident89.1Confident22 Ų2246.9 Ų46.912%0.11524%0.244CC..  trans-76.8120.1-165-61.5159.2000111.3M148 V234 V236 P259 G261 A265 L314M148-L263 HydrophobicContact CG-CD2 3.93Å; M148-L263 HydrophobicContact SD-CD2 3.79Å; V234-L263 HydrophobicContact CG1-CD2 4.35Å; V236-L263 HydrophobicContact CB-CD1 4.01Å; V236-L263 HydrophobicContact CG1-CD1 3.58Å; V236-L263 HydrophobicContact CG1-CD2 3.83Å; V236-L263 HydrophobicContact CG1-CG 4.37Å; P259-L263 HydrophobicContact CB-CD1 4.43Å; G261-L263 VanDerWaalsContact C-N 3.3Å; G261-L263 PolarHBondContact O-N 2.74Å; L263-A265 PolarHBondContact O-N 3.31Å; L263-L314 HydrophobicContact CD2-CD2 4.01Å
264P83.8Confident89.2Confident53 Ų5345 Ų4534%0.34424%0.235SC..  trans-67.2131.4174.1-1831.5000110.9R262 H266 C267R262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-H266 VanDerWaalsContact CB-CE1 3.49Å; P264-H266 WeakPolarHBondContact CB-CE1 3.11Å; P264-H266 PolarHBondContact O-N 3.47Å; P264-H266 VanDerWaalsContact O-N 3.14Å; P264-C267 WeakPolarHBondContact O-CB 3.38Å; P264-C267 PolarHBondContact O-N 3.26Å
265A86.1Confident89.1Confident55 Ų5547.8 Ų47.846%0.45525%0.248SC..G310 helixtrans-56.7-34.3-176.600000113.6N258 L263 C267 L268N258-A265 WeakPolarHBondContact ND2-CB 3.24Å; L263-A265 PolarHBondContact O-N 3.31Å; A265-C267 PolarHBondContact O-N 3.02Å; A265-L268 PolarHBondContact O-N 3.36Å
266H90Very high88.9Confident144 Ų14447 Ų4767%0.66725%0.245SC*.G310 helixtrans-72.7-1017862.6-106.1000114.2P264 N315P264-H266 VanDerWaalsContact CB-CE1 3.49Å; P264-H266 WeakPolarHBondContact CB-CE1 3.11Å; P264-H266 PolarHBondContact O-N 3.47Å; P264-H266 VanDerWaalsContact O-N 3.14Å; H266-N315 PolarHBondContact O-ND2 3.46Å
267C92.8Very high88.6Confident9 Ų947.7 Ų47.76%0.06125%0.25CC..G310 helixtrans-90.6-7.1173.8-65.20000113P264 A265 L314 N315 C318P264-C267 WeakPolarHBondContact O-CB 3.38Å; P264-C267 PolarHBondContact O-N 3.26Å; A265-C267 PolarHBondContact O-N 3.02Å; C267-L314 HydrophobicContact CB-CD2 3.92Å; C267-L314 CarbonylContact O-C 3.6Å; C267-L314 VanDerWaalsContact O-CA 3.24Å; C267-L314 WeakPolarHBondContact O-CA 3.46Å; C267-N315 PolarHBondContact O-N 2.71Å; C267-N315 PolarHBondContact O-ND2 3.06Å; C267-C318 WeakPolarHBondContact CA-SG 3.5Å; C267-C318 HydrophobicContact CB-CB 3.63Å; C267-C318 WeakPolarHBondContact CB-SG 3.42Å; C267-C318 WeakPolarHBondContact SG-CB 3.43Å; C267-C318 CovalentContact SG-SG 2.04Å; C267-C318 PolarHBondContact SG-SG 2.99Å
268L93.7Very high88.3Confident2 Ų244 Ų441%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-88.7135.8-178.7-66.4168.9000111.2V236 N258 A265 W270 R313 L314V236-L268 HydrophobicContact CG1-CD2 4.33Å; N258-L268 HydrophobicContact CB-CD1 4.18Å; A265-L268 PolarHBondContact O-N 3.36Å; L268-W270 HydrophobicContact CB-CZ2 3.88Å; L268-W270 HydrophobicContact CD1-CH2 3.9Å; L268-W270 HydrophobicContact CD1-CZ2 3.78Å; L268-W270 HydrophobicContact CG-CZ2 4.43Å; L268-R313 WeakPolarHBondContact CA-O 3.31Å; L268-L314 HydrophobicContact CD2-CD2 4.17Å
269E95.4Very high87.8Confident34 Ų3443.1 Ų43.116%0.15924%0.237CC..EExtended strand (participates in β ladder)trans-119.6153.4161.359.6167.5-103.800110.1S312 R313 N315E269-S312 VanDerWaalsContact O-CA 3.25Å; E269-S312 WeakPolarHBondContact O-CA 3.4Å; E269-R313 HydrophobicContact CG-CG 3.64Å; E269-R313 PolarHBondContact N-O 2.91Å; E269-R313 PolarHBondContact O-N 3.36Å; E269-R313 IonicContact OE1-CZ 2.68Å; E269-R313 IonicContact OE1-NE 2.66Å; E269-R313 PolarHBondContact OE1-NE 3.25Å; E269-R313 IonicContact OE1-NH2 3.84Å; E269-R313 PolarHBondContact OE1-NH2 2.89Å; E269-R313 IonicContact OE2-NE 2.76Å; E269-R313 IonicContact OE2-NH2 2.86Å; E269-N315 HydrophobicContact CB-CB 4.06Å; E269-N315 HydrophobicContact CG-CB 3.97Å; E269-N315 WeakPolarHBondContact OE2-CA 3.43Å
270W96.1Very high87.6Confident1 Ų151.3 Ų51.30%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-124148-168.6-48.295.5000111.9P239 W256 N258 L268 H289 T290 E291 P293 V310 R311 S312P239-W270 HydrophobicContact CG-CE3 4.43Å; P239-W270 HydrophobicContact CG-CZ3 3.67Å; W256-W270 AromaticContact CD1-CE3 3.93Å; W256-W270 AromaticContact CD1-CH2 3.7Å; W256-W270 AromaticContact CD1-CZ3 3.54Å; W256-W270 AromaticContact CE2-CD2 3.87Å; W256-W270 AromaticContact CE2-CE3 3.87Å; W256-W270 HydrophobicContact CZ2-CB 3.94Å; W256-W270 AromaticContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CE3 4.22Å; W256-W270 AromaticContact CZ2-CG 3.72Å; W256-W270 HydrophobicContact CZ2-CG 3.72Å; W256-W270 AromaticContact NE1-CD2 3.27Å; W256-W270 VanDerWaalsContact NE1-CD2 3.27Å; W256-W270 AromaticContact NE1-CE2 3.53Å; W256-W270 AromaticContact NE1-CE3 3.05Å; W256-W270 AromaticContact NE1-CH2 3.37Å; W256-W270 AromaticContact NE1-CZ2 3.59Å; W256-W270 AromaticContact NE1-CZ3 3.11Å; N258-W270 WeakPolarHBondContact OD1-CZ2 3.47Å; L268-W270 HydrophobicContact CB-CZ2 3.88Å; L268-W270 HydrophobicContact CD1-CH2 3.9Å; L268-W270 HydrophobicContact CD1-CZ2 3.78Å; L268-W270 HydrophobicContact CG-CZ2 4.43Å; W270-H289 WeakPolarHBondContact O-CA 3.42Å; W270-T290 HydrophobicContact CB-CG2 3.84Å; W270-T290 WeakPolarHBondContact CB-O 3.4Å; W270-T290 VanDerWaalsContact CD1-O 3.24Å; W270-T290 HydrophobicContact CG-CG2 4.36Å; W270-T290 PolarHBondContact N-O 2.92Å; W270-T290 PolarHBondContact O-N 2.91Å; W270-E291 PolarHBondContact NE1-O 2.89Å; W270-P293 HydrophobicContact CZ2-CB 4.02Å; W270-V310 HydrophobicContact CB-CG2 4.44Å; W270-V310 HydrophobicContact CE3-CG2 3.91Å; W270-R311 WeakPolarHBondContact CA-O 3.41Å; W270-S312 VanDerWaalsContact CZ3-CB 3.46Å
271E97.4Very high87.8Confident11 Ų1148 Ų485%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-124.7118.4164.7-175-171150.400108.7H287 I288 H289 V310 R311 W324 W327E271-H287 IonicContact OE1-CE1 3.32Å; E271-H287 PolarHBondContact OE1-CE1 3.02Å; E271-H287 VanDerWaalsContact OE1-CE1 3.32Å; E271-H287 IonicContact OE1-CG 3.88Å; E271-H287 IonicContact OE1-ND1 2.69Å; E271-H287 PolarHBondContact OE1-ND1 3.37Å; E271-I288 WeakPolarHBondContact CA-O 3.22Å; E271-H289 IonicContact OE2-CE1 3.81Å; E271-V310 WeakPolarHBondContact O-CA 3.48Å; E271-R311 HydrophobicContact CB-CG 3.95Å; E271-R311 PolarHBondContact N-O 3.01Å; E271-R311 PolarHBondContact O-N 2.84Å; E271-R311 IonicContact OE1-NE 3.92Å; E271-R311 IonicContact OE1-NH2 3.56Å; E271-R311 IonicContact OE2-CZ 2.68Å; E271-R311 IonicContact OE2-NE 2.73Å; E271-R311 PolarHBondContact OE2-NE 2.96Å; E271-R311 IonicContact OE2-NH2 2.74Å; E271-R311 PolarHBondContact OE2-NH2 2.97Å; E271-W324 HydrophobicContact CB-CH2 3.72Å; E271-W324 HydrophobicContact CB-CZ2 4.43Å; E271-W324 HydrophobicContact CB-CZ3 3.81Å; E271-W327 HydrophobicContact CB-CH2 4.44Å; E271-W327 HydrophobicContact CG-CH2 3.89Å; E271-W327 WeakPolarHBondContact O-CZ3 3.24Å; E271-W327 VanDerWaalsContact OE1-CH2 3.31Å; E271-W327 WeakPolarHBondContact OE1-CH2 3.41Å; E271-W327 WeakPolarHBondContact OE1-CZ2 3.33Å
272V97.2Very high88.5Confident0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-102.4121175.2-179.20000108.7F254 W256 I288 L295 F308 K309 V310F254-V272 HydrophobicContact CD1-CG1 4.06Å; F254-V272 HydrophobicContact CE1-CG1 3.87Å; F254-V272 HydrophobicContact CE1-CG2 4.26Å; W256-V272 HydrophobicContact CH2-CG2 3.56Å; W256-V272 HydrophobicContact CZ2-CG2 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 3.98Å; V272-I288 HydrophobicContact CB-CB 4.44Å; V272-I288 PolarHBondContact N-O 3.11Å; V272-I288 PolarHBondContact O-N 3.11Å; V272-L295 HydrophobicContact CG1-CD2 4.19Å; V272-F308 HydrophobicContact CG1-CD1 3.9Å; V272-K309 CarbonylContact C-O 3.36Å; V272-K309 WeakPolarHBondContact CA-O 3.43Å; V272-V310 HydrophobicContact CG2-CB 4.31Å; V272-V310 HydrophobicContact CG2-CG2 4.04Å
273R96.7Very high89.2Confident72 Ų7251.9 Ų51.927%0.27228%0.275SS..EExtended strand (participates in β ladder)trans-90.3115.7166.8176.5-176.7-73.1135.4-7108.4L285 N286 H287 F308 K309 W327R273-L285 HydrophobicContact CG-CD1 3.67Å; R273-N286 WeakPolarHBondContact CA-O 3.25Å; R273-H287 PolarHBondContact NE-CE1 2.79Å; R273-H287 PolarHBondContact NE-NE2 2.83Å; R273-H287 PolarHBondContact NH2-CE1 2.93Å; R273-F308 WeakPolarHBondContact O-CA 3.44Å; R273-K309 PolarHBondContact N-O 3.13Å; R273-K309 PolarHBondContact O-N 2.9Å; R273-W327 HydrophobicContact CB-CE3 4.41Å; R273-W327 HydrophobicContact CB-CH2 3.73Å; R273-W327 HydrophobicContact CB-CZ3 3.62Å
274H94.7Very high89.6Confident14 Ų1452.8 Ų52.87%0.06528%0.284CS..EExtended strand (participates in β ladder)trans-105.1118.3175.5171.6-137.2000109.6L285 N286 I288 N306 F308H274-L285 WeakPolarHBondContact O-CA 3.34Å; H274-N286 HydrophobicContact CB-CB 4.34Å; H274-N286 PolarHBondContact N-O 2.97Å; H274-N286 PolarHBondContact O-N 2.73Å; H274-I288 HydrophobicContact CB-CD1 4.4Å; H274-N306 PolarHBondContact NE2-OD1 3.48Å; H274-F308 HydrophobicContact CB-CD1 4.12Å; H274-F308 HydrophobicContact CB-CE1 3.89Å; H274-F308 AromaticContact CD2-CD1 3.97Å; H274-F308 AromaticContact CD2-CE1 3.24Å; H274-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H274-F308 AromaticContact CD2-CZ 3.33Å; H274-F308 WeakPolarHBondContact CD2-CZ 3.4Å; H274-F308 AromaticContact CG-CE1 3.71Å; H274-F308 AromaticContact NE2-CE1 3.98Å; H274-F308 AromaticContact NE2-CZ 3.69Å
275H92.9Very high90.1Very high59 Ų5955 Ų5527%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-108.2114173.5174.776.8000109I283 L285 C307H275-I283 VanDerWaalsContact CE1-CG2 3.45Å; H275-I283 WeakPolarHBondContact CE1-CG2 3.17Å; H275-L285 HydrophobicContact CB-CD1 4.01Å; H275-C307 HydrophobicContact CB-CB 4.34Å; H275-C307 PolarHBondContact N-O 2.84Å; H275-C307 PolarHBondContact O-N 2.81Å
276H90.3Very high90.4Very high43 Ų4356 Ų5620%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-116.7141-175.1170.887.6000111.2G278 I283 S284 R305 N306H276-G278 WeakPolarHBondContact NE2-CA 3.26Å; H276-G278 PolarHBondContact NE2-N 3.06Å; H276-I283 CarbonylContact O-C 3.59Å; H276-I283 WeakPolarHBondContact O-CA 3.4Å; H276-S284 PolarHBondContact N-O 3.36Å; H276-S284 PolarHBondContact O-N 2.9Å; H276-R305 WeakPolarHBondContact CA-O 3.44Å; H276-N306 PolarHBondContact ND1-OD1 3.45Å
277V88.9Confident90.7Very high23 Ų2353.3 Ų53.314%0.13928%0.277CS..EExtended strand (participates in β ladder)trans-126.7109.7172.2-171.60000108.5I283 K304 R305V277-I283 HydrophobicContact CG2-CG1 4.36Å; V277-K304 HydrophobicContact CB-CB 4.28Å; V277-K304 HydrophobicContact CG1-CB 4.05Å; V277-K304 HydrophobicContact CG1-CD 4.38Å; V277-K304 PolarHBondContact O-N 2.04Å; V277-R305 HydrophobicContact CB-CB 4.19Å; V277-R305 HydrophobicContact CG2-CB 4.21Å; V277-R305 PolarHBondContact N-O 3.25Å; V277-R305 PolarHBondContact O-N 3.48Å
278G84.5Confident90.8Very high11 Ų1154.8 Ų54.811%0.11328%0.284CS..  trans-77.3176.1-17900000113.7H276 E280 G281 K282H276-G278 WeakPolarHBondContact NE2-CA 3.26Å; H276-G278 PolarHBondContact NE2-N 3.06Å; G278-E280 VanDerWaalsContact C-N 3.32Å; G278-E280 PolarHBondContact O-N 2.87Å; G278-G281 WeakPolarHBondContact O-CA 3.34Å; G278-G281 PolarHBondContact O-N 3.17Å; G278-K282 PolarHBondContact N-O 2.93Å
279A79.2Confident90.9Very high48 Ų4860.5 Ų60.540%0.39731%0.31SS..THydrogen-bonded Turntrans-51.8-45.8-178.800000113.4G281 S302 K304A279-G281 PolarHBondContact O-N 2.72Å; A279-G281 VanDerWaalsContact O-N 3.15Å; A279-S302 VanDerWaalsContact CA-O 3.23Å; A279-S302 WeakPolarHBondContact CA-O 3.46Å; A279-S302 WeakPolarHBondContact CB-O 3.34Å; A279-S302 PolarHBondContact N-O 3.47Å; A279-K304 WeakPolarHBondContact O-CE 3.37Å; A279-K304 PolarHBondContact O-NZ 2.66Å
280E81.5Confident90.9Very high183 Ų18360.3 Ų60.386%0.85531%0.312SS*.THydrogen-bonded Turntrans-73.5-0.5178.9-63.7177.8178.900113.6G278 K282G278-E280 VanDerWaalsContact C-N 3.32Å; G278-E280 PolarHBondContact O-N 2.87Å; E280-K282 VanDerWaalsContact C-N 3.27Å
281G78.3Confident90.7Very high32 Ų3266.9 Ų66.933%0.3334%0.343SS..  trans80.74-172.100000114G278 A279 I283G278-G281 WeakPolarHBondContact O-CA 3.34Å; G278-G281 PolarHBondContact O-N 3.17Å; A279-G281 PolarHBondContact O-N 2.72Å; A279-G281 VanDerWaalsContact O-N 3.15Å; G281-I283 WeakPolarHBondContact O-CG1 3.34Å; G281-I283 PolarHBondContact O-N 2.76Å
282K85Confident90.4Very high162 Ų16273.4 Ų73.470%0.70437%0.371SS*.  trans-58.3123.1171.5-176.4179.8-178.7-179.90110G278 E280G278-K282 PolarHBondContact N-O 2.93Å; E280-K282 VanDerWaalsContact C-N 3.27Å
283I88.1Confident90.3Very high111 Ų11175.8 Ų75.857%0.56939%0.386SS*.EExtended strand (participates in β ladder)trans-97.5138.2179.5-53.8-177.9000109.6H275 H276 V277 G281H275-I283 VanDerWaalsContact CE1-CG2 3.45Å; H275-I283 WeakPolarHBondContact CE1-CG2 3.17Å; H276-I283 CarbonylContact O-C 3.59Å; H276-I283 WeakPolarHBondContact O-CA 3.4Å; V277-I283 HydrophobicContact CG2-CG1 4.36Å; G281-I283 WeakPolarHBondContact O-CG1 3.34Å; G281-I283 PolarHBondContact O-N 2.76Å
284S89.9Confident90.1Very high41 Ų4174.5 Ų74.529%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-129.9149.1163.750.50000111.2H276H276-S284 PolarHBondContact N-O 3.36Å; H276-S284 PolarHBondContact O-N 2.9Å
285L92.8Very high90.1Very high100 Ų10075.1 Ų75.152%0.52439%0.392SS..EExtended strand (participates in β ladder)trans-131105.9177.5-177.868.1000108.3R273 H274 H275R273-L285 HydrophobicContact CG-CD1 3.67Å; H274-L285 WeakPolarHBondContact O-CA 3.34Å; H275-L285 HydrophobicContact CB-CD1 4.01Å
286N93.5Very high90Very high76 Ų7675.9 Ų75.941%0.40640%0.401SS..EExtended strand (participates in β ladder)trans-107.2147.3-176.9-61.4-28.8000110.2R273 H274 I288R273-N286 WeakPolarHBondContact CA-O 3.25Å; H274-N286 HydrophobicContact CB-CB 4.34Å; H274-N286 PolarHBondContact N-O 2.97Å; H274-N286 PolarHBondContact O-N 2.73Å; N286-I288 HydrophobicContact CB-CG1 4.46Å
287H95.3Very high90Very high87 Ų8775.4 Ų75.440%0.40340%0.4SS..EExtended strand (participates in β ladder)trans-117.4122.6169.9-80.7-115.1000107.6E271 R273E271-H287 IonicContact OE1-CE1 3.32Å; E271-H287 PolarHBondContact OE1-CE1 3.02Å; E271-H287 VanDerWaalsContact OE1-CE1 3.32Å; E271-H287 IonicContact OE1-CG 3.88Å; E271-H287 IonicContact OE1-ND1 2.69Å; E271-H287 PolarHBondContact OE1-ND1 3.37Å; R273-H287 PolarHBondContact NE-CE1 2.79Å; R273-H287 PolarHBondContact NE-NE2 2.83Å; R273-H287 PolarHBondContact NH2-CE1 2.93Å
288I96Very high89.8Confident40 Ų4080 Ų8021%0.20543%0.43CS..EExtended strand (participates in β ladder)trans-124.2124.2-170.9-58.6171.8000108E271 V272 H274 N286 L295 L297E271-I288 WeakPolarHBondContact CA-O 3.22Å; V272-I288 HydrophobicContact CB-CB 4.44Å; V272-I288 PolarHBondContact N-O 3.11Å; V272-I288 PolarHBondContact O-N 3.11Å; H274-I288 HydrophobicContact CB-CD1 4.4Å; N286-I288 HydrophobicContact CB-CG1 4.46Å; I288-L295 HydrophobicContact CD1-CD2 3.81Å; I288-L295 HydrophobicContact CG2-CD1 4.07Å; I288-L295 HydrophobicContact CG2-CD2 4.38Å; I288-L297 HydrophobicContact CD1-CD2 4.28Å
289H95.6Very high89.8Confident122 Ų12280.6 Ų80.657%0.56543%0.43SS*.EExtended strand (participates in β ladder)trans-97.3139175-66.7-76.8000110.5W270 E271W270-H289 WeakPolarHBondContact O-CA 3.42Å; E271-H289 IonicContact OE2-CE1 3.81Å
290T94.4Very high89.7Confident31 Ų3180.7 Ų80.719%0.1943%0.427CS..EExtended strand (participates in β ladder)trans-151.5154.2178.1178.50000110.4W256 W270 K292W256-T290 HydrophobicContact CH2-CG2 4.08Å; W256-T290 HydrophobicContact CZ2-CG2 4.24Å; W270-T290 HydrophobicContact CB-CG2 3.84Å; W270-T290 WeakPolarHBondContact CB-O 3.4Å; W270-T290 VanDerWaalsContact CD1-O 3.24Å; W270-T290 HydrophobicContact CG-CG2 4.36Å; W270-T290 PolarHBondContact N-O 2.92Å; W270-T290 PolarHBondContact O-N 2.91Å; T290-K292 WeakPolarHBondContact CG2-O 3.36Å; T290-K292 PolarHBondContact OG1-N 2.8Å; T290-K292 VanDerWaalsContact OG1-N 3.11Å; T290-K292 PolarHBondContact OG1-O 3.02Å
291E91.8Very high89.2Confident139 Ų13977.1 Ų77.165%0.6541%0.414SS*.SBendtrans-94.1-16172.1-63171.7169.100111.6W270W270-E291 PolarHBondContact NE1-O 2.89Å
292K92.3Very high88.8Confident147 Ų14779 Ų7964%0.63942%0.422SS*.SBendtrans-96.9143.8-177.4-65.3177.8-178.6176.60110.9W256 T290 S294W256-K292 WeakPolarHBondContact CZ2-O 3.08Å; T290-K292 WeakPolarHBondContact CG2-O 3.36Å; T290-K292 PolarHBondContact OG1-N 2.8Å; T290-K292 VanDerWaalsContact OG1-N 3.11Å; T290-K292 PolarHBondContact OG1-O 3.02Å; K292-S294 PolarHBondContact O-N 2.86Å
293P93.6Very high88.4Confident51 Ų5172.1 Ų72.133%0.33139%0.394SS..SBendtrans-76.832178.134.9-37.7000113.3H255 W256 W270H255-P293 WeakPolarHBondContact CA-O 3.36Å; W256-P293 VanDerWaalsContact CE2-C 3.49Å; W256-P293 VanDerWaalsContact CE2-CA 3.41Å; W256-P293 VanDerWaalsContact CZ2-C 3.5Å; W256-P293 VanDerWaalsContact CZ2-CA 3.47Å; W256-P293 PolarHBondContact N-O 2.67Å; W270-P293 HydrophobicContact CZ2-CB 4.02Å
294S93.7Very high88Confident45 Ų4572.7 Ų72.732%0.31539%0.393SS..EExtended strand (participates in β ladder)trans-154.4158.1178.964.30000112.4F254 K292F254-S294 CarbonylContact O-C 3.57Å; F254-S294 VanDerWaalsContact O-CA 3.3Å; F254-S294 WeakPolarHBondContact O-CA 2.88Å; K292-S294 PolarHBondContact O-N 2.86Å
295L93.6Very high87.9Confident27 Ų2775.1 Ų75.114%0.14140%0.396CS..EExtended strand (participates in β ladder)trans-149.2127.2179.4-17970.1000109.6F254 W256 V272 I288 L297F254-L295 PolarHBondContact N-O 2.8Å; F254-L295 PolarHBondContact O-N 2.91Å; W256-L295 HydrophobicContact CZ3-CB 4.47Å; V272-L295 HydrophobicContact CG1-CD2 4.19Å; I288-L295 HydrophobicContact CD1-CD2 3.81Å; I288-L295 HydrophobicContact CG2-CD1 4.07Å; I288-L295 HydrophobicContact CG2-CD2 4.38Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD1 3.95Å; L295-L297 HydrophobicContact CD2-CD2 4.14Å; L295-L297 HydrophobicContact CD2-CG 3.93Å; L295-L297 HydrophobicContact CG-CD2 4.19Å; L295-L297 HydrophobicContact CG-CG 4.02Å
296T91.6Very high87.8Confident75 Ų7570.7 Ų70.746%0.4637%0.372SS..EExtended strand (participates in β ladder)trans-102.4131.6168.9-44.20000108.7E251E251-T296 HydrophobicContact CB-CG2 4.25Å; E251-T296 HydrophobicContact CG-CG2 4.47Å
297L89.3Confident87.8Confident33 Ų3367.1 Ų67.117%0.17335%0.354CS..EExtended strand (participates in β ladder)trans-125.6148.1177.5-70.3179.8000111.9L252 I288 L295 F299 F308L252-L297 PolarHBondContact N-O 3.22Å; L252-L297 PolarHBondContact O-N 3.32Å; I288-L297 HydrophobicContact CD1-CD2 4.28Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD1 3.95Å; L295-L297 HydrophobicContact CD2-CD2 4.14Å; L295-L297 HydrophobicContact CD2-CG 3.93Å; L295-L297 HydrophobicContact CG-CD2 4.19Å; L295-L297 HydrophobicContact CG-CG 4.02Å; L297-F299 PolarHBondContact O-N 2.69Å; L297-F308 HydrophobicContact CD1-CE1 3.63Å; L297-F308 HydrophobicContact CD1-CZ 3.9Å
298P85.5Confident87.8Confident120 Ų12063.1 Ų63.178%0.77934%0.335SS*.EExtended strand (participates in β ladder)trans-61.9130.2170.627.8-34.5000109.7
299F83.8Confident87.8Confident23 Ų2363.8 Ų63.810%0.10134%0.337CS..  trans-117.2161.5-176.1-179.9-117.7000111T246 T250 L252 L297 N301 H333T246-F299 HydrophobicContact CG2-CD1 3.94Å; T246-F299 HydrophobicContact CG2-CE1 3.86Å; T250-F299 PolarHBondContact O-N 2.91Å; L252-F299 HydrophobicContact CB-CB 3.83Å; L252-F299 HydrophobicContact CB-CD2 4.05Å; L252-F299 HydrophobicContact CB-CG 4.02Å; L252-F299 HydrophobicContact CD2-CD2 4.2Å; L297-F299 PolarHBondContact O-N 2.69Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.43Å; F299-H333 AromaticContact CE2-CD2 3.69Å; F299-H333 AromaticContact CZ-CD2 3.59Å; F299-H333 AromaticContact CZ-NE2 3.53Å
300S78.1Confident87.8Confident50 Ų5058 Ų5835%0.3531%0.31SS..  trans-150.1130.2171.6177.50000108.4S302 S303S300-S302 PolarHBondContact O-N 2.82Å; S300-S302 PolarHBondContact OG-N 2.82Å; S300-S302 PolarHBondContact OG-OG 2.8Å; S300-S303 VanDerWaalsContact O-CB 3.24Å; S300-S303 WeakPolarHBondContact O-CB 3.42Å; S300-S303 PolarHBondContact O-N 2.81Å; S300-S303 PolarHBondContact O-OG 3.02Å
301N71.3Confident87.9Confident107 Ų10758.9 Ų58.957%0.57231%0.31SS*.THydrogen-bonded Turntrans-57.4-10.3171.8-70.1-27.3000114D249 F299D249-N301 PolarHBondContact OD1-ND2 2.87Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.43Å
302S70.2Confident88.1Confident71 Ų7152.3 Ų52.350%0.49728%0.279SS..THydrogen-bonded Turntrans-85.2-7.2171.673.10000114.3A279 S300 K304A279-S302 VanDerWaalsContact CA-O 3.23Å; A279-S302 WeakPolarHBondContact CA-O 3.46Å; A279-S302 WeakPolarHBondContact CB-O 3.34Å; A279-S302 PolarHBondContact N-O 3.47Å; S300-S302 PolarHBondContact O-N 2.82Å; S300-S302 PolarHBondContact OG-N 2.82Å; S300-S302 PolarHBondContact OG-OG 2.8Å; S302-K304 PolarHBondContact O-N 3.43Å
303S75.3Confident88.2Confident18 Ų1849 Ų4913%0.12626%0.263CS..  trans-68.8127.6177.9-510000110.4S300 N306S300-S303 VanDerWaalsContact O-CB 3.24Å; S300-S303 WeakPolarHBondContact O-CB 3.42Å; S300-S303 PolarHBondContact O-N 2.81Å; S300-S303 PolarHBondContact O-OG 3.02Å; S303-N306 WeakPolarHBondContact CB-ND2 3.32Å
304K81.3Confident88.3Confident124 Ų12447 Ų4754%0.53925%0.249SC..SBendtrans-73.4-34.3177.6-71.6177172.7159.40112.6V277 A279 S302V277-K304 HydrophobicContact CB-CB 4.28Å; V277-K304 HydrophobicContact CG1-CB 4.05Å; V277-K304 HydrophobicContact CG1-CD 4.38Å; V277-K304 PolarHBondContact O-N 2.04Å; A279-K304 WeakPolarHBondContact O-CE 3.37Å; A279-K304 PolarHBondContact O-NZ 2.66Å; S302-K304 PolarHBondContact O-N 3.43Å
305R87.6Confident88.3Confident91 Ų9145.4 Ų45.434%0.34324%0.237SC..EExtended strand (participates in β ladder)trans-162.1138.9179.7-153.4170172.7120.6-1.6111.7H276 V277 C307 C332 H333H276-R305 WeakPolarHBondContact CA-O 3.44Å; V277-R305 HydrophobicContact CB-CB 4.19Å; V277-R305 HydrophobicContact CG2-CB 4.21Å; V277-R305 PolarHBondContact N-O 3.25Å; V277-R305 PolarHBondContact O-N 3.48Å; R305-C307 PolarHBondContact NE-SG 2.84Å; R305-C332 HydrophobicContact CG-CB 4.47Å; R305-C332 PolarHBondContact NH2-SG 3.49Å; R305-C332 VanDerWaalsContact NH2-SG 3.43Å; R305-H333 CarbonylContact C-O 3.58Å
306N90.9Very high88.3Confident7 Ų748.6 Ų48.64%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-127.8108.6166.5-74.4-76.8000108.1L252 H274 H276 S303 F308 C332 H333L252-N306 HydrophobicContact CD2-CB 3.73Å; H274-N306 PolarHBondContact NE2-OD1 3.48Å; H276-N306 PolarHBondContact ND1-OD1 3.45Å; S303-N306 WeakPolarHBondContact CB-ND2 3.32Å; N306-F308 HydrophobicContact CB-CE2 3.92Å; N306-F308 HydrophobicContact CB-CZ 4.34Å; N306-C332 CarbonylContact O-C 3.58Å; N306-C332 VanDerWaalsContact O-CA 3.24Å; N306-C332 WeakPolarHBondContact O-CA 3.37Å; N306-H333 PolarHBondContact N-O 3.31Å; N306-H333 PolarHBondContact O-N 2.92Å
307C92.7Very high88.4Confident2 Ų254.4 Ų54.41%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-111.7145.5178.3-650000111.7H275 R305 E330 T331 C332H275-C307 HydrophobicContact CB-CB 4.34Å; H275-C307 PolarHBondContact N-O 2.84Å; H275-C307 PolarHBondContact O-N 2.81Å; R305-C307 PolarHBondContact NE-SG 2.84Å; C307-E330 HydrophobicContact CB-CG 3.9Å; C307-T331 CarbonylContact C-O 3.59Å; C307-T331 WeakPolarHBondContact CA-O 3.22Å; C307-C332 HydrophobicContact CB-CB 4.16Å; C307-C332 WeakPolarHBondContact CB-SG 3.45Å; C307-C332 WeakPolarHBondContact SG-CB 3.4Å; C307-C332 CovalentContact SG-SG 2.04Å; C307-C332 PolarHBondContact SG-SG 3.48Å
308F94.8Very high88.5Confident2 Ų254.4 Ų54.41%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-130141.1-176.4-61-88.6000111.1L244 L252 F254 V272 R273 H274 L297 N306 E330 T331L244-F308 HydrophobicContact CD1-CD2 3.7Å; L244-F308 HydrophobicContact CD1-CE2 3.56Å; L244-F308 HydrophobicContact CD1-CZ 4.4Å; L244-F308 HydrophobicContact CD2-CD2 3.77Å; L244-F308 HydrophobicContact CD2-CE2 4.03Å; L244-F308 HydrophobicContact CG-CD2 4.41Å; L244-F308 HydrophobicContact CG-CE2 4.47Å; L252-F308 HydrophobicContact CD2-CE2 3.81Å; L252-F308 HydrophobicContact CD2-CZ 4.03Å; F254-F308 HydrophobicContact CD1-CB 4.07Å; F254-F308 AromaticContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CG 4.05Å; F254-F308 HydrophobicContact CD2-CB 4.07Å; F254-F308 HydrophobicContact CD2-CD2 4.42Å; F254-F308 HydrophobicContact CD2-CG 4.16Å; F254-F308 HydrophobicContact CE1-CB 3.77Å; F254-F308 HydrophobicContact CE1-CD1 4.32Å; F254-F308 HydrophobicContact CE1-CG 4.26Å; F254-F308 HydrophobicContact CE2-CB 3.74Å; F254-F308 HydrophobicContact CE2-CG 4.34Å; F254-F308 HydrophobicContact CG-CB 4.22Å; F254-F308 HydrophobicContact CG-CD1 4.16Å; F254-F308 HydrophobicContact CG-CD2 4.47Å; F254-F308 HydrophobicContact CG-CG 4.02Å; F254-F308 HydrophobicContact CZ-CB 3.59Å; F254-F308 HydrophobicContact CZ-CG 4.4Å; V272-F308 HydrophobicContact CG1-CD1 3.9Å; R273-F308 WeakPolarHBondContact O-CA 3.44Å; H274-F308 HydrophobicContact CB-CD1 4.12Å; H274-F308 HydrophobicContact CB-CE1 3.89Å; H274-F308 AromaticContact CD2-CD1 3.97Å; H274-F308 AromaticContact CD2-CE1 3.24Å; H274-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H274-F308 AromaticContact CD2-CZ 3.33Å; H274-F308 WeakPolarHBondContact CD2-CZ 3.4Å; H274-F308 AromaticContact CG-CE1 3.71Å; H274-F308 AromaticContact NE2-CE1 3.98Å; H274-F308 AromaticContact NE2-CZ 3.69Å; L297-F308 HydrophobicContact CD1-CE1 3.63Å; L297-F308 HydrophobicContact CD1-CZ 3.9Å; N306-F308 HydrophobicContact CB-CE2 3.92Å; N306-F308 HydrophobicContact CB-CZ 4.34Å; F308-E330 WeakPolarHBondContact O-CA 3.44Å; F308-T331 PolarHBondContact N-O 3.3Å; F308-T331 PolarHBondContact O-N 2.95Å; F308-T331 VanDerWaalsContact O-N 3.11Å
309K96.3Very high88.9Confident55 Ų5549.3 Ų49.324%0.23925%0.245CC..EExtended strand (participates in β ladder)trans-131143.1160.2-72.5-179.6162.1126.90108.4V272 R273 W327 S328 E330V272-K309 CarbonylContact C-O 3.36Å; V272-K309 WeakPolarHBondContact CA-O 3.43Å; R273-K309 PolarHBondContact N-O 3.13Å; R273-K309 PolarHBondContact O-N 2.9Å; K309-W327 HydrophobicContact CB-CE3 3.72Å; K309-W327 HydrophobicContact CB-CZ3 4.33Å; K309-W327 HydrophobicContact CD-CB 4.42Å; K309-W327 WeakPolarHBondContact O-CZ3 3.41Å; K309-S328 WeakPolarHBondContact CA-OG 3.49Å; K309-E330 WeakPolarHBondContact CE-OE1 3.44Å; K309-E330 HydrophobicContact CG-CB 4.2Å; K309-E330 HydrophobicContact CG-CG 4.17Å; K309-E330 IonicContact NZ-OE1 2.66Å; K309-E330 PolarHBondContact NZ-OE1 3.3Å
310V96.8Very high89.4Confident0 Ų054.1 Ų54.10%027%0.272CS..EExtended strand (participates in β ladder)trans-122.9149.3176.559.80000110.2P239 L242 F254 W256 W270 E271 V272 S328P239-V310 HydrophobicContact CB-CG1 3.92Å; P239-V310 HydrophobicContact CG-CG1 3.88Å; L242-V310 HydrophobicContact CD2-CG1 3.52Å; F254-V310 HydrophobicContact CE1-CB 4.25Å; F254-V310 HydrophobicContact CZ-CB 4.4Å; F254-V310 HydrophobicContact CZ-CG1 4.25Å; W256-V310 HydrophobicContact CD2-CG1 4.32Å; W256-V310 HydrophobicContact CD2-CG2 4.14Å; W256-V310 HydrophobicContact CG-CG1 4.27Å; W256-V310 HydrophobicContact CH2-CG2 4.47Å; W256-V310 HydrophobicContact CZ2-CG2 3.92Å; W270-V310 HydrophobicContact CB-CG2 4.44Å; W270-V310 HydrophobicContact CE3-CG2 3.91Å; E271-V310 WeakPolarHBondContact O-CA 3.48Å; V272-V310 HydrophobicContact CG2-CB 4.31Å; V272-V310 HydrophobicContact CG2-CG2 4.04Å; V310-S328 PolarHBondContact N-OG 2.98Å; V310-S328 WeakPolarHBondContact O-CB 3.08Å; V310-S328 PolarHBondContact O-N 2.84Å; V310-S328 PolarHBondContact O-OG 2.86Å
311R96.4Very high90.2Very high50 Ų5058.4 Ų58.419%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-138.3157.1165.862173.3-175.7174.6-1.7110.1W270 E271 W324 S325 W327W270-R311 WeakPolarHBondContact CA-O 3.41Å; E271-R311 HydrophobicContact CB-CG 3.95Å; E271-R311 PolarHBondContact N-O 3.01Å; E271-R311 PolarHBondContact O-N 2.84Å; E271-R311 IonicContact OE1-NE 3.92Å; E271-R311 IonicContact OE1-NH2 3.56Å; E271-R311 IonicContact OE2-CZ 2.68Å; E271-R311 IonicContact OE2-NE 2.73Å; E271-R311 PolarHBondContact OE2-NE 2.96Å; E271-R311 IonicContact OE2-NH2 2.74Å; E271-R311 PolarHBondContact OE2-NH2 2.97Å; R311-W324 HydrophobicContact CB-CE3 4.41Å; R311-W324 HydrophobicContact CG-CD2 4.44Å; R311-W324 HydrophobicContact CG-CE3 3.67Å; R311-W324 HydrophobicContact CG-CZ3 4.03Å; R311-S325 WeakPolarHBondContact CA-OG 3.35Å; R311-S325 VanDerWaalsContact CB-OG 3.26Å; R311-S325 WeakPolarHBondContact CB-OG 3.41Å; R311-W327 HydrophobicContact CB-CD2 4.3Å; R311-W327 HydrophobicContact CB-CE3 4.09Å; R311-W327 HydrophobicContact CB-CZ3 4.43Å; R311-W327 HydrophobicContact CG-CD2 4.13Å; R311-W327 HydrophobicContact CG-CE3 3.93Å; R311-W327 HydrophobicContact CG-CH2 3.94Å; R311-W327 HydrophobicContact CG-CZ2 4.1Å; R311-W327 HydrophobicContact CG-CZ3 3.84Å
312S95.1Very high91.3Very high0 Ų054.2 Ų54.20%027%0.266CS..EExtended strand (participates in β ladder)trans-121.3162.6177.133.70000112.3V236 E269 W270 S325V236-S312 VanDerWaalsContact CG2-OG 3.24Å; V236-S312 WeakPolarHBondContact CG2-OG 3.38Å; E269-S312 VanDerWaalsContact O-CA 3.25Å; E269-S312 WeakPolarHBondContact O-CA 3.4Å; W270-S312 VanDerWaalsContact CZ3-CB 3.46Å; S312-S325 PolarHBondContact N-OG 2.78Å; S312-S325 WeakPolarHBondContact O-CB 3.24Å; S312-S325 PolarHBondContact O-N 3.02Å
313R94.9Very high92.6Very high79 Ų7953.8 Ų53.830%0.29826%0.255SS..EExtended strand (participates in β ladder)trans-147.9178.3158.268.9175.5172.7154.69.1109.3L268 E269 S322 W324L268-R313 WeakPolarHBondContact CA-O 3.31Å; E269-R313 HydrophobicContact CG-CG 3.64Å; E269-R313 PolarHBondContact N-O 2.91Å; E269-R313 PolarHBondContact O-N 3.36Å; E269-R313 IonicContact OE1-CZ 2.68Å; E269-R313 IonicContact OE1-NE 2.66Å; E269-R313 PolarHBondContact OE1-NE 3.25Å; E269-R313 IonicContact OE1-NH2 3.84Å; E269-R313 PolarHBondContact OE1-NH2 2.89Å; E269-R313 IonicContact OE2-NE 2.76Å; E269-R313 IonicContact OE2-NH2 2.86Å; R313-S322 WeakPolarHBondContact CB-OG 3.1Å; R313-W324 HydrophobicContact CB-CD2 4.18Å; R313-W324 HydrophobicContact CB-CE3 3.91Å; R313-W324 HydrophobicContact CB-CZ3 4.25Å; R313-W324 HydrophobicContact CG-CD2 4.09Å; R313-W324 HydrophobicContact CG-CE3 3.89Å; R313-W324 HydrophobicContact CG-CH2 3.95Å; R313-W324 HydrophobicContact CG-CZ2 4.16Å; R313-W324 HydrophobicContact CG-CZ3 3.83Å; R313-W324 VanDerWaalsContact NE-CZ2 3.25Å
314L94.3Very high93.6Very high8 Ų855.7 Ų55.74%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-81.5136.3169.3-63-176.9000110.9V234 L263 C267 L268 V319 S322V234-L314 HydrophobicContact CB-CD1 3.82Å; V234-L314 HydrophobicContact CG1-CD1 3.84Å; V234-L314 HydrophobicContact CG1-CG 4.2Å; V234-L314 HydrophobicContact CG2-CD1 4.05Å; L263-L314 HydrophobicContact CD2-CD2 4.01Å; C267-L314 HydrophobicContact CB-CD2 3.92Å; C267-L314 CarbonylContact O-C 3.6Å; C267-L314 VanDerWaalsContact O-CA 3.24Å; C267-L314 WeakPolarHBondContact O-CA 3.46Å; L268-L314 HydrophobicContact CD2-CD2 4.17Å; L314-V319 HydrophobicContact CB-CG2 3.5Å; L314-V319 HydrophobicContact CD1-CG1 3.83Å; L314-V319 HydrophobicContact CD1-CG2 4.05Å; L314-V319 HydrophobicContact CG-CG2 4.44Å; L314-S322 PolarHBondContact N-OG 2.93Å; L314-S322 PolarHBondContact O-OG 2.85Å
315N94.4Very high94.3Very high11 Ų1150 Ų506%0.05924%0.235CC..  trans-78164.2179.369.534.3000112.8H266 C267 E269 Y317 C318 V319H266-N315 PolarHBondContact O-ND2 3.46Å; C267-N315 PolarHBondContact O-N 2.71Å; C267-N315 PolarHBondContact O-ND2 3.06Å; E269-N315 HydrophobicContact CB-CB 4.06Å; E269-N315 HydrophobicContact CG-CB 3.97Å; E269-N315 WeakPolarHBondContact OE2-CA 3.43Å; N315-Y317 PolarHBondContact O-N 3.07Å; N315-Y317 VanDerWaalsContact O-N 3.13Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.43Å; N315-C318 PolarHBondContact O-N 3.48Å; N315-C318 PolarHBondContact OD1-N 2.89Å; N315-V319 PolarHBondContact O-N 3.11Å
316S94.3Very high94.7Very high94 Ų9450.4 Ų50.466%0.65724%0.244SC*.THydrogen-bonded Turntrans-70.9-1.1-176.653.80000115.4V319S316-V319 WeakPolarHBondContact CA-O 3.4Å
317Y92.8Very high95Very high197 Ų19753.1 Ų53.177%0.77325%0.254SS*.THydrogen-bonded Turntrans-86.7-23.9173.2-61.2-67.9000112.7N315N315-Y317 PolarHBondContact O-N 3.07Å; N315-Y317 VanDerWaalsContact O-N 3.13Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.43Å
318C92.1Very high95.2Very high33 Ų3353.3 Ų53.322%0.22326%0.255CS..THydrogen-bonded Turntrans-104.9-29.1-179.4-62.50000113.9C267 N315C267-C318 WeakPolarHBondContact CA-SG 3.5Å; C267-C318 HydrophobicContact CB-CB 3.63Å; C267-C318 WeakPolarHBondContact CB-SG 3.42Å; C267-C318 WeakPolarHBondContact SG-CB 3.43Å; C267-C318 CovalentContact SG-SG 2.04Å; C267-C318 PolarHBondContact SG-SG 2.99Å; N315-C318 PolarHBondContact O-N 3.48Å; N315-C318 PolarHBondContact OD1-N 2.89Å
319V94.4Very high95.1Very high13 Ų1360 Ų608%0.07929%0.291CS..  trans-147.3152.7-179.8-600000110.8Q231 N232 L314 N315 S316 Q321Q231-V319 HydrophobicContact CB-CG1 3.95Å; Q231-V319 HydrophobicContact CG-CG1 3.86Å; Q231-V319 WeakPolarHBondContact O-CG1 3.44Å; N232-V319 WeakPolarHBondContact OD1-CB 3.3Å; L314-V319 HydrophobicContact CB-CG2 3.5Å; L314-V319 HydrophobicContact CD1-CG1 3.83Å; L314-V319 HydrophobicContact CD1-CG2 4.05Å; L314-V319 HydrophobicContact CG-CG2 4.44Å; N315-V319 PolarHBondContact O-N 3.11Å; S316-V319 WeakPolarHBondContact CA-O 3.4Å; V319-Q321 VanDerWaalsContact C-N 3.32Å; V319-Q321 WeakPolarHBondContact CG2-O 3.11Å; V319-Q321 PolarHBondContact O-N 2.84Å
320D94.5Very high95Very high124 Ų12461.8 Ų61.866%0.66330%0.3SS*.SBendtrans-68.2-35.1179.7-58.4-67.6000112.1N232N232-D320 PolarHBondContact ND2-OD2 2.82Å; N232-D320 PolarHBondContact OD1-N 2.83Å
321Q93.8Very high94.8Very high140 Ų14063.6 Ų63.665%0.65431%0.311SS*.  trans-149.6151.6-175.9-61-173.19.600110.4N232 V319N232-Q321 CarbonylContact C-O 3.48Å; N232-Q321 WeakPolarHBondContact CA-O 3.49Å; V319-Q321 VanDerWaalsContact C-N 3.32Å; V319-Q321 WeakPolarHBondContact CG2-O 3.11Å; V319-Q321 PolarHBondContact O-N 2.84Å
322S94.9Very high94.5Very high20 Ų2061.8 Ų61.814%0.1431%0.305CS..  trans-154.9158.1174.5670000111.3R313 L314R313-S322 WeakPolarHBondContact CB-OG 3.1Å; L314-S322 PolarHBondContact N-OG 2.93Å; L314-S322 PolarHBondContact O-OG 2.85Å
323F96.5Very high94.1Very high62 Ų6263.9 Ų63.927%0.27232%0.315SS..BIsolated β-bridgetrans-85136.1174.9-60.7-71.1000110.6I142 C143 V144 Q233 V234 K235 S325I142-F323 HydrophobicContact CD1-CE1 4.05Å; I142-F323 HydrophobicContact CD1-CZ 3.88Å; I142-F323 HydrophobicContact CG1-CZ 4.15Å; C143-F323 WeakPolarHBondContact O-CE2 3.49Å; V144-F323 HydrophobicContact CG1-CD2 4.22Å; V144-F323 HydrophobicContact CG1-CE2 4.43Å; V144-F323 HydrophobicContact CG2-CE2 4.11Å; V144-F323 HydrophobicContact CG2-CZ 4.49Å; Q233-F323 HydrophobicContact CB-CE2 4.3Å; Q233-F323 WeakPolarHBondContact O-CD2 3.43Å; Q233-F323 VanDerWaalsContact O-CE2 3.31Å; Q233-F323 WeakPolarHBondContact O-CE2 3.42Å; V234-F323 PolarHBondContact O-N 2.92Å; K235-F323 HydrophobicContact CB-CB 3.8Å; K235-F323 HydrophobicContact CB-CD2 4.22Å; K235-F323 HydrophobicContact CB-CG 4.41Å; K235-F323 HydrophobicContact CG-CB 3.89Å; F323-S325 PolarHBondContact O-N 2.82Å
324W96.9Very high93.5Very high58 Ų5863.2 Ų63.222%0.2232%0.321CS..PPolyproline II helixtrans-57135.6162.9-76.1109.1000110.9K235 E271 R311 R313K235-W324 WeakPolarHBondContact CE-O 3.01Å; E271-W324 HydrophobicContact CB-CH2 3.72Å; E271-W324 HydrophobicContact CB-CZ2 4.43Å; E271-W324 HydrophobicContact CB-CZ3 3.81Å; R311-W324 HydrophobicContact CB-CE3 4.41Å; R311-W324 HydrophobicContact CG-CD2 4.44Å; R311-W324 HydrophobicContact CG-CE3 3.67Å; R311-W324 HydrophobicContact CG-CZ3 4.03Å; R313-W324 HydrophobicContact CB-CD2 4.18Å; R313-W324 HydrophobicContact CB-CE3 3.91Å; R313-W324 HydrophobicContact CB-CZ3 4.25Å; R313-W324 HydrophobicContact CG-CD2 4.09Å; R313-W324 HydrophobicContact CG-CE3 3.89Å; R313-W324 HydrophobicContact CG-CH2 3.95Å; R313-W324 HydrophobicContact CG-CZ2 4.16Å; R313-W324 HydrophobicContact CG-CZ3 3.83Å; R313-W324 VanDerWaalsContact NE-CZ2 3.25Å
325S96.1Very high92.4Very high3 Ų369.5 Ų69.52%0.02136%0.355CS..PPolyproline II helixtrans-57.3162.6163.4800000110.2V236 R311 S312 F323V236-S325 WeakPolarHBondContact O-CA 3.47Å; V236-S325 WeakPolarHBondContact O-CB 3.44Å; R311-S325 WeakPolarHBondContact CA-OG 3.35Å; R311-S325 VanDerWaalsContact CB-OG 3.26Å; R311-S325 WeakPolarHBondContact CB-OG 3.41Å; S312-S325 PolarHBondContact N-OG 2.78Å; S312-S325 WeakPolarHBondContact O-CB 3.24Å; S312-S325 PolarHBondContact O-N 3.02Å; F323-S325 PolarHBondContact O-N 2.82Å
326D96.8Very high90.9Very high101 Ų10172.7 Ų72.754%0.5438%0.375SS..PPolyproline II helixtrans-63.3161.4161.9-54.8-55.9000109.3K235 A238K235-D326 IonicContact NZ-OD1 2.69Å; K235-D326 PolarHBondContact NZ-OD1 3.44Å; K235-D326 IonicContact NZ-OD2 2.73Å; K235-D326 PolarHBondContact NZ-OD2 3.46Å; A238-D326 WeakPolarHBondContact CB-O 3.34Å
327W96.7Very high88.7Confident63 Ų6373 Ų7324%0.23937%0.369CS..PPolyproline II helixtrans-71.8142.3175.4-71.294.4000110.2E271 R273 K309 R311E271-W327 HydrophobicContact CB-CH2 4.44Å; E271-W327 HydrophobicContact CG-CH2 3.89Å; E271-W327 WeakPolarHBondContact O-CZ3 3.24Å; E271-W327 VanDerWaalsContact OE1-CH2 3.31Å; E271-W327 WeakPolarHBondContact OE1-CH2 3.41Å; E271-W327 WeakPolarHBondContact OE1-CZ2 3.33Å; R273-W327 HydrophobicContact CB-CE3 4.41Å; R273-W327 HydrophobicContact CB-CH2 3.73Å; R273-W327 HydrophobicContact CB-CZ3 3.62Å; K309-W327 HydrophobicContact CB-CE3 3.72Å; K309-W327 HydrophobicContact CB-CZ3 4.33Å; K309-W327 HydrophobicContact CD-CB 4.42Å; K309-W327 WeakPolarHBondContact O-CZ3 3.41Å; R311-W327 HydrophobicContact CB-CD2 4.3Å; R311-W327 HydrophobicContact CB-CE3 4.09Å; R311-W327 HydrophobicContact CB-CZ3 4.43Å; R311-W327 HydrophobicContact CG-CD2 4.13Å; R311-W327 HydrophobicContact CG-CE3 3.93Å; R311-W327 HydrophobicContact CG-CH2 3.94Å; R311-W327 HydrophobicContact CG-CZ2 4.1Å; R311-W327 HydrophobicContact CG-CZ3 3.84Å
328S95.9Very high86.4Confident7 Ų768.5 Ų68.55%0.04937%0.366CS..PPolyproline II helixtrans-56.3169168.871.40000112.3P239 K309 V310P239-S328 WeakPolarHBondContact O-CB 3.35Å; K309-S328 WeakPolarHBondContact CA-OG 3.49Å; V310-S328 PolarHBondContact N-OG 2.98Å; V310-S328 WeakPolarHBondContact O-CB 3.08Å; V310-S328 PolarHBondContact O-N 2.84Å; V310-S328 PolarHBondContact O-OG 2.86Å
329L93.7Very high84Confident143 Ų14377 Ų7775%0.74939%0.394SS*.PPolyproline II helixtrans-57.7160.9159.8-63.4178.9000110.7L242L242-L329 WeakPolarHBondContact CD1-O 3.48Å
330E93.2Very high81.4Confident91 Ų9184 Ų8443%0.42543%0.426SS..PPolyproline II helixtrans-87.5129177.3-156.1161.2-84.100110.3C307 F308 K309C307-E330 HydrophobicContact CB-CG 3.9Å; F308-E330 WeakPolarHBondContact O-CA 3.44Å; K309-E330 WeakPolarHBondContact CE-OE1 3.44Å; K309-E330 HydrophobicContact CG-CB 4.2Å; K309-E330 HydrophobicContact CG-CG 4.17Å; K309-E330 IonicContact NZ-OE1 2.66Å; K309-E330 PolarHBondContact NZ-OE1 3.3Å
331T92.4Very high78.6Confident39 Ų3983.2 Ų83.224%0.23943%0.425CS..EExtended strand (participates in β ladder)trans-115.2133.3170.1-54.50000108.5L242 L244 C307 F308L242-T331 WeakPolarHBondContact CB-OG1 3.34Å; L242-T331 WeakPolarHBondContact CD1-OG1 3.39Å; L244-T331 HydrophobicContact CB-CG2 3.75Å; L244-T331 HydrophobicContact CD2-CG2 3.94Å; C307-T331 CarbonylContact C-O 3.59Å; C307-T331 WeakPolarHBondContact CA-O 3.22Å; F308-T331 PolarHBondContact N-O 3.3Å; F308-T331 PolarHBondContact O-N 2.95Å; F308-T331 VanDerWaalsContact O-N 3.11Å
332C91.3Very high76Confident11 Ų1181.5 Ų81.57%0.07443%0.425CS..EExtended strand (participates in β ladder)trans-127.6148.4-174.7-58.80000112.2L244 R305 N306 C307 P334 D335L244-C332 VanDerWaalsContact CD2-C 3.49Å; R305-C332 HydrophobicContact CG-CB 4.47Å; R305-C332 PolarHBondContact NH2-SG 3.49Å; R305-C332 VanDerWaalsContact NH2-SG 3.43Å; N306-C332 CarbonylContact O-C 3.58Å; N306-C332 VanDerWaalsContact O-CA 3.24Å; N306-C332 WeakPolarHBondContact O-CA 3.37Å; C307-C332 HydrophobicContact CB-CB 4.16Å; C307-C332 WeakPolarHBondContact CB-SG 3.45Å; C307-C332 WeakPolarHBondContact SG-CB 3.4Å; C307-C332 CovalentContact SG-SG 2.04Å; C307-C332 PolarHBondContact SG-SG 3.48Å; C332-P334 CarbonylContact O-C 3.58Å; C332-D335 WeakPolarHBondContact O-CA 3.3Å; C332-D335 PolarHBondContact O-N 2.99Å
333H87.2Confident73.5Confident45 Ų4587.3 Ų87.321%0.20845%0.453CS..EExtended strand (participates in β ladder)trans-122.1134.3169.3-172.294.9000110.5L244 T246 L252 F299 R305 N306L244-H333 HydrophobicContact CD2-CB 3.7Å; L244-H333 HydrophobicContact CG-CB 4.15Å; T246-H333 PolarHBondContact OG1-CE1 3.47Å; L252-H333 HydrophobicContact CD1-CB 4.03Å; L252-H333 HydrophobicContact CD2-CB 4.27Å; F299-H333 AromaticContact CE2-CD2 3.69Å; F299-H333 AromaticContact CZ-CD2 3.59Å; F299-H333 AromaticContact CZ-NE2 3.53Å; R305-H333 CarbonylContact C-O 3.58Å; N306-H333 PolarHBondContact N-O 3.31Å; N306-H333 PolarHBondContact O-N 2.92Å
334P80.5Confident70.6Confident65 Ų6586.8 Ų86.842%0.42247%0.465SS..SBendcis-59.5150.5-11.828.8-35.9000110.7C332 V336C332-P334 CarbonylContact O-C 3.58Å; P334-V336 PolarHBondContact O-N 3.31Å
335D71.3Confident67.9Low139 Ų13993.6 Ų93.674%0.74349%0.491SS*.  trans-68.9133.1176.5-170.118.3000109.4C332C332-D335 WeakPolarHBondContact O-CA 3.3Å; C332-D335 PolarHBondContact O-N 2.99Å
336V64.7Low65.4Low79 Ų79100.1 Ų100.148%0.47952%0.521SS..  trans-109.8103-178.2178.50000106.7P334 S338P334-V336 PolarHBondContact O-N 3.31Å; V336-S338 PolarHBondContact O-N 3.27Å
337D46.5Very low63Low100 Ų100102 Ų10254%0.53553%0.528SS..  trans-45.8116.3176.9-177.66.6000109.5R339D337-R339 PolarHBondContact O-N 3.48Å; D337-R339 WeakPolarHBondContact OD1-CG 3.34Å; D337-R339 WeakPolarHBondContact OD2-CD 3.49Å
338S45.6Very low61.1Low102 Ų102104 Ų10471%0.71354%0.544SS*.G310 helixtrans-65.91.3-164.457.50000114.6V336 E340V336-S338 PolarHBondContact O-N 3.27Å; S338-E340 PolarHBondContact O-N 2.99Å
339R40.7Very low59.3Low212 Ų212106 Ų10680%0.856%0.557SS**G310 helixtrans-67.3-25178.9-68.4180174.4-176.8-4.4114.9D337D337-R339 PolarHBondContact O-N 3.48Å; D337-R339 WeakPolarHBondContact OD1-CG 3.34Å; D337-R339 WeakPolarHBondContact OD2-CD 3.49Å
340E40.8Very low58Low161 Ų161103.3 Ų103.375%0.75255%0.546SS*.G310 helixtrans-113.639179.7-62.8-145.1152.600114.9S338 T342S338-E340 PolarHBondContact O-N 2.99Å; E340-T342 PolarHBondContact O-N 3.47Å
341T34.5Very low56.9Low107 Ų107102.5 Ų102.566%0.65655%0.551SS**  trans-75.183154.1-55.30000109.3L343T341-L343 HydrophobicContact CG2-CB 4.15Å; T341-L343 PolarHBondContact O-N 3.2Å
342T39.6Very low56.1Low104 Ų104105.2 Ų105.264%0.63856%0.563SS**G310 helixtrans-68.913.3-17745.50000115.1E340 G344E340-T342 PolarHBondContact O-N 3.47Å; T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3Å
343L41.9Very low55.6Low142 Ų142112.7 Ų112.774%0.74359%0.591SS**G310 helixtrans-76.5-7.7171.7-148.375.4000113.7T341T341-L343 HydrophobicContact CG2-CB 4.15Å; T341-L343 PolarHBondContact O-N 3.2Å
344G36.7Very low55.4Low50 Ų50115.5 Ų115.552%0.51561%0.607SS.*G310 helixtrans-86.6-11.8175.600000115.6T342T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3Å
345R38.8Very low55.5Low201 Ų201120.5 Ų120.576%0.75862%0.618SS**SBendtrans-91.2-30.3-171.3-152.7172.8-171.2108.81.3113.8S349R345-S349 PolarHBondContact O-N 3.39Å; R345-S349 PolarHBondContact O-OG 3.5Å
346E43.7Very low56.2Low140 Ų140117.6 Ų117.665%0.65460%0.602SS**Hα-helixtrans-64.4-49.9179.7-69.5-65.6101.700112.7N348 S349 V350E346-N348 VanDerWaalsContact C-N 3.3Å; E346-N348 PolarHBondContact O-N 3.1Å; E346-S349 WeakPolarHBondContact O-CB 3.29Å; E346-S349 PolarHBondContact O-N 3.32Å; E346-S349 VanDerWaalsContact O-N 3.16Å; E346-V350 PolarHBondContact O-N 3.38Å
347M46.3Very low57.3Low140 Ų140116 Ų11669%0.6960%0.597SS**Hα-helixtrans-66.9-28.4-174.8-74.2164.955.700113.7S351M347-S351 PolarHBondContact O-N 3.32Å; M347-S351 PolarHBondContact O-OG 3.37Å; M347-S351 VanDerWaalsContact O-OG 3.1Å
348N56.9Low59.4Low107 Ų107115.1 Ų115.157%0.57260%0.595SS**Hα-helixtrans-72.8-38.6173.9-77.8-11.7000111.9E346 V350 S351 I352E346-N348 VanDerWaalsContact C-N 3.3Å; E346-N348 PolarHBondContact O-N 3.1Å; N348-V350 PolarHBondContact O-N 3.47Å; N348-S351 PolarHBondContact O-N 3.16Å; N348-I352 WeakPolarHBondContact O-CD1 3.32Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.48Å; N348-I352 PolarHBondContact O-N 3.01Å
349S58.4Low61.5Low47 Ų47113.4 Ų113.433%0.32958%0.58SS.*Hα-helixtrans-57.8-48.4175.4-66.30000111.8R345 E346 S351 I352 Y353R345-S349 PolarHBondContact O-N 3.39Å; R345-S349 PolarHBondContact O-OG 3.5Å; E346-S349 WeakPolarHBondContact O-CB 3.29Å; E346-S349 PolarHBondContact O-N 3.32Å; E346-S349 VanDerWaalsContact O-N 3.16Å; S349-S351 VanDerWaalsContact C-N 3.33Å; S349-S351 PolarHBondContact O-N 3.45Å; S349-I352 PolarHBondContact O-N 3.24Å; S349-Y353 WeakPolarHBondContact O-CD2 3.05Å; S349-Y353 PolarHBondContact O-N 2.83Å
350V66.7Low63.9Low87 Ų87107.6 Ų107.653%0.52756%0.564SS.*Hα-helixtrans-59.9-43.3179.5179.70000111.6E346 N348 I352 Y353 I354E346-V350 PolarHBondContact O-N 3.38Å; N348-V350 PolarHBondContact O-N 3.47Å; V350-I352 PolarHBondContact O-N 2.93Å; V350-Y353 PolarHBondContact O-N 2.74Å; V350-I354 HydrophobicContact CG1-CD1 3.92Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.87Å
351S70Confident66.3Low74 Ų74104.9 Ų104.952%0.51755%0.553SS.*Hα-helixtrans-64.2-38.8177.8-590000112.4M347 N348 S349 I354 Y355M347-S351 PolarHBondContact O-N 3.32Å; M347-S351 PolarHBondContact O-OG 3.37Å; M347-S351 VanDerWaalsContact O-OG 3.1Å; N348-S351 PolarHBondContact O-N 3.16Å; S349-S351 VanDerWaalsContact C-N 3.33Å; S349-S351 PolarHBondContact O-N 3.45Å; S351-I354 PolarHBondContact O-N 3.31Å; S351-Y355 WeakPolarHBondContact O-CB 3.41Å; S351-Y355 PolarHBondContact O-N 3.3Å
352I76.4Confident69Low97 Ų97103.7 Ų103.750%0.49755%0.546SS..Hα-helixtrans-66-44.6176.2-70.2164.5000110.9N348 S349 V350 I354 Y355 I356N348-I352 WeakPolarHBondContact O-CD1 3.32Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.48Å; N348-I352 PolarHBondContact O-N 3.01Å; S349-I352 PolarHBondContact O-N 3.24Å; V350-I352 PolarHBondContact O-N 2.93Å; I352-I354 PolarHBondContact O-N 3.48Å; I352-Y355 PolarHBondContact O-N 2.97Å; I352-I356 HydrophobicContact CG2-CD1 3.7Å; I352-I356 HydrophobicContact CG2-CG1 4.43Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 2.87Å
353Y80Confident71.5Confident167 Ų167102.6 Ų102.666%0.65554%0.539SS*.Hα-helixtrans-63.8-39.7177-71.8-59.7000112.7S349 V350 I356 A357S349-Y353 WeakPolarHBondContact O-CD2 3.05Å; S349-Y353 PolarHBondContact O-N 2.83Å; V350-Y353 PolarHBondContact O-N 2.74Å; Y353-I356 PolarHBondContact O-N 3.36Å; Y353-A357 WeakPolarHBondContact O-CB 3.45Å; Y353-A357 PolarHBondContact O-N 3.24Å
354I82.9Confident73.9Confident105 Ų105100.8 Ų100.854%0.53853%0.53SS..Hα-helixtrans-62.7-45.1173.9-68.8167.8000110.7V350 S351 I352 A357 V358V350-I354 HydrophobicContact CG1-CD1 3.92Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.87Å; S351-I354 PolarHBondContact O-N 3.31Å; I352-I354 PolarHBondContact O-N 3.48Å; I354-A357 PolarHBondContact O-N 3.35Å; I354-V358 WeakPolarHBondContact O-CG2 3.24Å; I354-V358 PolarHBondContact O-N 2.92Å
355Y83.3Confident76.4Confident169 Ų169102.1 Ų102.166%0.66353%0.528SS*.Hα-helixtrans-61.8-45.5178.2-172.6-94.6000112.1S351 I352 A357 V358 V359S351-Y355 WeakPolarHBondContact O-CB 3.41Å; S351-Y355 PolarHBondContact O-N 3.3Å; I352-Y355 PolarHBondContact O-N 2.97Å; Y355-A357 PolarHBondContact O-N 2.83Å; Y355-V358 PolarHBondContact O-N 3.33Å; Y355-V359 HydrophobicContact CD1-CG2 4.16Å; Y355-V359 HydrophobicContact CE1-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.48Å
356I86.8Confident78.8Confident78 Ų7896.5 Ų96.540%0.452%0.515SS..Hα-helixtrans-60.4-44.5175.9-69.5167.1000110.9I352 Y353 V358 V359 I360I352-I356 HydrophobicContact CG2-CD1 3.7Å; I352-I356 HydrophobicContact CG2-CG1 4.43Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 2.87Å; Y353-I356 PolarHBondContact O-N 3.36Å; I356-V358 PolarHBondContact O-N 2.91Å; I356-V359 PolarHBondContact O-N 2.87Å; I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 HydrophobicContact CG2-CG1 4.44Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.35Å; I356-I360 PolarHBondContact O-N 3.49Å
357A87.1Confident80.9Confident46 Ų4693.3 Ų93.338%0.3851%0.507SS..Hα-helixtrans-61.2-43.5177.500000112.2Y353 I354 Y355 I360 I361Y353-A357 WeakPolarHBondContact O-CB 3.45Å; Y353-A357 PolarHBondContact O-N 3.24Å; I354-A357 PolarHBondContact O-N 3.35Å; Y355-A357 PolarHBondContact O-N 2.83Å; A357-I360 PolarHBondContact O-N 3.39Å; A357-I361 WeakPolarHBondContact O-CD1 3.32Å; A357-I361 VanDerWaalsContact O-CG1 3.27Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.28Å
358V89.3Confident82.8Confident81 Ų8191.9 Ų91.949%0.49150%0.502SS..Hα-helixtrans-62.4-44.1175.71710000111.4I354 Y355 I356 I360 I361 V362I354-V358 WeakPolarHBondContact O-CG2 3.24Å; I354-V358 PolarHBondContact O-N 2.92Å; Y355-V358 PolarHBondContact O-N 3.33Å; I356-V358 PolarHBondContact O-N 2.91Å; V358-I360 PolarHBondContact O-N 2.85Å; V358-I361 PolarHBondContact O-N 3.44Å; V358-V362 WeakPolarHBondContact O-CG2 3.46Å; V358-V362 PolarHBondContact O-N 3.49Å
359V90.9Very high84.1Confident66 Ų6690.7 Ų90.740%0.450%0.501SS..Hα-helixtrans-61.8-43.7176.7171.30000111.4Y355 I356 I361 V362 V363Y355-V359 HydrophobicContact CD1-CG2 4.16Å; Y355-V359 HydrophobicContact CE1-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.48Å; I356-V359 PolarHBondContact O-N 2.87Å; V359-I361 PolarHBondContact O-N 3.31Å; V359-V362 PolarHBondContact O-N 2.86Å; V359-V363 HydrophobicContact CG1-CG2 4.49Å; V359-V363 WeakPolarHBondContact O-CG2 3.36Å; V359-V363 PolarHBondContact O-N 3.3Å
360I91.2Very high85.3Confident91 Ų9192.5 Ų92.547%0.46751%0.51SS..Hα-helixtrans-61.5-44.6176.3-69.3167.3000111I356 A357 V358 V362 V363 L364I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 HydrophobicContact CG2-CG1 4.44Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.35Å; I356-I360 PolarHBondContact O-N 3.49Å; A357-I360 PolarHBondContact O-N 3.39Å; V358-I360 PolarHBondContact O-N 2.85Å; I360-V362 PolarHBondContact O-N 3.46Å; I360-V363 PolarHBondContact O-N 2.86Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.27Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.34Å; I360-L364 PolarHBondContact O-N 2.88Å
361I91.4Very high86Confident103 Ų10396.4 Ų96.453%0.52852%0.515SS..Hα-helixtrans-61.1-45.1177.3-69.6163.4000110.9A357 V358 V359 V363 L364 V365A357-I361 WeakPolarHBondContact O-CD1 3.32Å; A357-I361 VanDerWaalsContact O-CG1 3.27Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.28Å; V358-I361 PolarHBondContact O-N 3.44Å; V359-I361 PolarHBondContact O-N 3.31Å; I361-V363 PolarHBondContact O-N 3.27Å; I361-L364 PolarHBondContact O-N 2.9Å; I361-V365 HydrophobicContact CG2-CG2 4.5Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.35Å
362V90.8Very high86.4Confident82 Ų8295 Ų9550%0.49751%0.509SS..Hα-helixtrans-62.1-44177.11710000111.3V358 V359 I360 V365 V366V358-V362 WeakPolarHBondContact O-CG2 3.46Å; V358-V362 PolarHBondContact O-N 3.49Å; V359-V362 PolarHBondContact O-N 2.86Å; I360-V362 PolarHBondContact O-N 3.46Å; V362-V365 PolarHBondContact O-N 2.89Å; V362-V366 HydrophobicContact CG1-CG2 4.47Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 3.33Å
363V92.6Very high86.4Confident81 Ų8193 Ų9349%0.49151%0.507SS..Hα-helixtrans-62.9-43.5176.4170.50000111.3V359 I360 I361 V366 C367V359-V363 HydrophobicContact CG1-CG2 4.49Å; V359-V363 WeakPolarHBondContact O-CG2 3.36Å; V359-V363 PolarHBondContact O-N 3.3Å; I360-V363 PolarHBondContact O-N 2.86Å; I361-V363 PolarHBondContact O-N 3.27Å; V363-V366 PolarHBondContact O-N 2.94Å; V363-C367 WeakPolarHBondContact O-CB 3.27Å; V363-C367 PolarHBondContact O-N 3.35Å; V363-C367 PolarHBondContact O-SG 3.36Å
364L91Very high86.1Confident105 Ų10588.6 Ų88.655%0.5550%0.497SS..Hα-helixtrans-62.5-43176.2-72.1171.1000111.9I360 I361 C367 L368I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.27Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.34Å; I360-L364 PolarHBondContact O-N 2.88Å; I361-L364 PolarHBondContact O-N 2.9Å; L364-C367 PolarHBondContact O-N 2.91Å; L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.33Å
365V90.8Very high85.4Confident78 Ų7886.5 Ų86.547%0.47349%0.487SS..Hα-helixtrans-63-45.2175.5170.20000111.1I361 V362 C367 L368 C369I361-V365 HydrophobicContact CG2-CG2 4.5Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.35Å; V362-V365 PolarHBondContact O-N 2.89Å; V365-C367 PolarHBondContact O-N 2.94Å; V365-L368 PolarHBondContact O-N 3.49Å; V365-C369 WeakPolarHBondContact O-CB 3.48Å; V365-C369 PolarHBondContact O-N 3.49Å; V365-C369 PolarHBondContact O-SG 2.96Å
366V88.9Confident84.2Confident82 Ų8285 Ų8550%0.49749%0.488SS..Hα-helixtrans-61.7-44.8176.2170.20000111.2V362 V363 L368 C369 V370V362-V366 HydrophobicContact CG1-CG2 4.47Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 3.33Å; V363-V366 PolarHBondContact O-N 2.94Å; V366-L368 PolarHBondContact O-N 3.32Å; V366-C369 PolarHBondContact O-N 3.5Å; V366-V370 HydrophobicContact CG1-CG2 4.39Å; V366-V370 WeakPolarHBondContact O-CB 3.39Å; V366-V370 WeakPolarHBondContact O-CG2 3.44Å; V366-V370 PolarHBondContact O-N 3.47Å
367C86.7Confident82.7Confident73 Ų7391.9 Ų91.949%0.49351%0.508SS..Hα-helixtrans-60.9-41.3175.5-74.80000112.3V363 L364 V365 V370 W371V363-C367 WeakPolarHBondContact O-CB 3.27Å; V363-C367 PolarHBondContact O-N 3.35Å; V363-C367 PolarHBondContact O-SG 3.36Å; L364-C367 PolarHBondContact O-N 2.91Å; V365-C367 PolarHBondContact O-N 2.94Å; C367-V370 PolarHBondContact O-N 2.95Å; C367-W371 WeakPolarHBondContact O-CB 3Å; C367-W371 PolarHBondContact O-N 3.36Å
368L86.6Confident81.1Confident110 Ų11097.8 Ų97.858%0.57653%0.526SS*.Hα-helixtrans-65.9-42174.9-74.1167.5000112.1L364 V365 V366 W371 A372L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.33Å; V365-L368 PolarHBondContact O-N 3.49Å; V366-L368 PolarHBondContact O-N 3.32Å; L368-W371 PolarHBondContact O-N 2.96Å; L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.47Å; L368-A372 PolarHBondContact O-N 2.75Å
369C84.2Confident79.3Confident82 Ų8298 Ų9855%0.55453%0.53SS*.Hα-helixtrans-64.4-41175.3-71.10000112.3V365 V366 A373V365-C369 WeakPolarHBondContact O-CB 3.48Å; V365-C369 PolarHBondContact O-N 3.49Å; V365-C369 PolarHBondContact O-SG 2.96Å; V366-C369 PolarHBondContact O-N 3.5Å; C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 2.88Å
370V84.5Confident76.9Confident86 Ų8697.3 Ų97.352%0.52154%0.537SS..Hα-helixtrans-67.9-43.7175.3171.30000111V366 C367 A372 A373 V374V366-V370 HydrophobicContact CG1-CG2 4.39Å; V366-V370 WeakPolarHBondContact O-CB 3.39Å; V366-V370 WeakPolarHBondContact O-CG2 3.44Å; V366-V370 PolarHBondContact O-N 3.47Å; C367-V370 PolarHBondContact O-N 2.95Å; V370-A372 PolarHBondContact O-N 3.02Å; V370-A373 PolarHBondContact O-N 3.15Å; V370-V374 HydrophobicContact CG1-CG2 4.44Å; V370-V374 WeakPolarHBondContact O-CB 3.23Å; V370-V374 VanDerWaalsContact O-CG2 3.32Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.29Å
371W79.6Confident74.6Confident168 Ų16898.8 Ų98.864%0.63655%0.552SS**Hα-helixtrans-61.5-43.3175.8-178.784.7000111.9C367 L368 V374 N375C367-W371 WeakPolarHBondContact O-CB 3Å; C367-W371 PolarHBondContact O-N 3.36Å; L368-W371 PolarHBondContact O-N 2.96Å; W371-V374 PolarHBondContact O-N 3.4Å; W371-N375 WeakPolarHBondContact CZ2-ND2 3.5Å; W371-N375 WeakPolarHBondContact O-CB 3.44Å; W371-N375 PolarHBondContact O-N 3.49Å
372A79.5Confident71.8Confident45 Ų45103 Ų10337%0.37257%0.569SS.*Hα-helixtrans-61.1-46.9172.600000111.4L368 V370 V374 N375 M376L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.47Å; L368-A372 PolarHBondContact O-N 2.75Å; V370-A372 PolarHBondContact O-N 3.02Å; A372-V374 VanDerWaalsContact C-N 3.31Å; A372-V374 PolarHBondContact O-N 3.27Å; A372-N375 PolarHBondContact O-N 3.31Å; A372-M376 WeakPolarHBondContact O-CB 3.48Å; A372-M376 WeakPolarHBondContact O-CG 3.19Å; A372-M376 PolarHBondContact O-N 3.22Å
373A76.1Confident69.2Low55 Ų55107.6 Ų107.646%0.45558%0.583SS.*Hα-helixtrans-62.4-35177.100000113.1C369 V370 R377C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 2.88Å; V370-A373 PolarHBondContact O-N 3.15Å; A373-R377 WeakPolarHBondContact O-CB 3.21Å; A373-R377 WeakPolarHBondContact O-CG 3.25Å; A373-R377 PolarHBondContact O-N 2.89Å; A373-R377 VanDerWaalsContact O-N 3.1Å
374V74.8Confident66.2Low74 Ų74113.9 Ų113.945%0.44860%0.604SS.*Hα-helixtrans-72.5-40.2175.6169.50000111.8V370 W371 A372 R377 K378V370-V374 HydrophobicContact CG1-CG2 4.44Å; V370-V374 WeakPolarHBondContact O-CB 3.23Å; V370-V374 VanDerWaalsContact O-CG2 3.32Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.29Å; W371-V374 PolarHBondContact O-N 3.4Å; A372-V374 VanDerWaalsContact C-N 3.31Å; A372-V374 PolarHBondContact O-N 3.27Å; V374-R377 PolarHBondContact O-N 3.2Å; V374-K378 PolarHBondContact O-N 3.33Å
375N66.4Low63.6Low61 Ų61113.8 Ų113.833%0.32661%0.607SS.*Hα-helixtrans-70.3-39.6175.1-82.9-15.3000112.4W371 A372 R377 K378 S379W371-N375 WeakPolarHBondContact CZ2-ND2 3.5Å; W371-N375 WeakPolarHBondContact O-CB 3.44Å; W371-N375 PolarHBondContact O-N 3.49Å; A372-N375 PolarHBondContact O-N 3.31Å; N375-R377 PolarHBondContact O-N 3.31Å; N375-K378 WeakPolarHBondContact O-CA 3.31Å; N375-K378 WeakPolarHBondContact O-CB 3.47Å; N375-K378 PolarHBondContact O-N 3.1Å; N375-S379 PolarHBondContact O-N 3.18Å
376M58.4Low60.7Low139 Ų139117.2 Ų117.269%0.68562%0.623SS**Hα-helixtrans-63-28.6172.5-68.7-66.8-71.700112.1A372 K378 S379A372-M376 WeakPolarHBondContact O-CB 3.48Å; A372-M376 WeakPolarHBondContact O-CG 3.19Å; A372-M376 PolarHBondContact O-N 3.22Å; M376-K378 VanDerWaalsContact C-N 3.34Å; M376-S379 PolarHBondContact O-OG 2.9Å
377R55Low57.9Low222 Ų222118.3 Ų118.384%0.83863%0.634SS**THydrogen-bonded Turntrans-76.3-13.6168.9-82-177.6171.3-170.4-1.4114.6A373 V374 N375A373-R377 WeakPolarHBondContact O-CB 3.21Å; A373-R377 WeakPolarHBondContact O-CG 3.25Å; A373-R377 PolarHBondContact O-N 2.89Å; A373-R377 VanDerWaalsContact O-N 3.1Å; V374-R377 PolarHBondContact O-N 3.2Å; N375-R377 PolarHBondContact O-N 3.31Å
378K53.3Low55.2Low170 Ų170123 Ų12374%0.73965%0.653SS**THydrogen-bonded Turntrans-88.1-20.4171.4-77.1-177.8172.4-179.60112.8V374 N375 M376 G380V374-K378 PolarHBondContact O-N 3.33Å; N375-K378 WeakPolarHBondContact O-CA 3.31Å; N375-K378 WeakPolarHBondContact O-CB 3.47Å; N375-K378 PolarHBondContact O-N 3.1Å; M376-K378 VanDerWaalsContact C-N 3.34Å; K378-G380 PolarHBondContact O-N 3.28Å
379S51.5Low52.5Low84 Ų84125.3 Ų125.359%0.58767%0.666SS**SBendtrans-93.565.5179.559.30000113.5N375 M376N375-S379 PolarHBondContact O-N 3.18Å; M376-S379 PolarHBondContact O-OG 2.9Å
380G41.7Very low51.2Low52 Ų52126 Ų12654%0.53667%0.669SS.*  trans90.4168.1170.400000115.9K378K378-G380 PolarHBondContact O-N 3.28Å
381P41.7Very low48.5Very low122 Ų122130.5 Ų130.579%0.79268%0.681SS**  cis-114.213817.537.3-27.2000115.1K383P381-K383 PolarHBondContact O-N 2.82Å
382Q34.6Very low46.1Very low191 Ų191129.8 Ų129.889%0.89369%0.69SS**  trans-77.6119.1162.3-168.571.3-0.500108.8
383K35.3Very low43.8Very low179 Ų179134.6 Ų134.678%0.77871%0.708SS**  trans-68.2145177-63178.4-1791780111P381 V385P381-K383 PolarHBondContact O-N 2.82Å; K383-V385 HydrophobicContact CB-CG2 4.34Å
384K29.6Very low41.5Very low213 Ų213136.9 Ų136.993%0.92672%0.717SS**  trans-127.6149144.2-143.8176.3-175.2-176.50108.2
385V35.4Very low39.5Very low103 Ų103139.6 Ų139.662%0.62473%0.729SS**  trans-126.6156.7-160176.10000109.8K383K383-V385 HydrophobicContact CB-CG2 4.34Å
386D30.7Very low37.8Very low150 Ų150142.9 Ų142.980%0.80275%0.746SS**  trans65.9121.8179.7-55.5-37.7000116.4
387S30.2Very low36.4Very low106 Ų106143.6 Ų143.674%0.74175%0.752SS**  -167.2155.377.838.20000114.8
388L30.7Very low35.2Very low170 Ų170138 Ų13889%0.8975%0.747SS**  trans57.9102.3151.4-64.1166.6000120.4
389L30.4Very low34.1Very low160 Ų160136.1 Ų136.184%0.83874%0.741SS**  trans-94.3168.5144.5-87.1156.2000109.2
390P55.8Low33.2Very low95 Ų95142 Ų14262%0.61775%0.75SS**  cis-131.6167.4-20.231.3-13000113.9
391K28.8Very low32.7Very low181 Ų181145.7 Ų145.779%0.78776%0.762SS**  157.3137.3121-88.7170.6-178.2177.50116.2
392L28.7Very low32.1Very low154 Ų154144.6 Ų144.681%0.80676%0.757SS**  trans72161.6137.6-70.1169.7000122
393L30.4Very low31.9Very low145 Ų145142.1 Ų142.176%0.75974%0.743SS**  trans78.282.4161.2-70.4166.9000120.5
394T29Very low31.8Very low104 Ų104141 Ų14164%0.63874%0.744SS**  71.2134116.350.10000123.5
395N32.2Very low31.7Very low131 Ų131139.9 Ų139.970%0.70174%0.736SS**  trans89.6110.6135.3-70.61.8000122.1
396N30.4Very low31.5Very low129 Ų129140.4 Ų140.469%0.6974%0.743SS**  99.3136121.4-77.5-19.2000121.3
397L28.9Very low31.4Very low155 Ų155136.7 Ų136.781%0.81274%0.741SS**  trans52.9133.5145.4-59.8163.9000118.4
398S29.7Very low31.6Very low103 Ų103141.7 Ų141.772%0.7275%0.749SS**  cis-173.4-166.9-4.263.30000107.4
399Q31.2Very low31.8Very low132 Ų132143.3 Ų143.362%0.61775%0.749SS**  cis-162.2142.52.5167.2162.4-141.900109.8
400R31.2Very low31.7Very low207 Ų207142.5 Ų142.578%0.78175%0.751SS**  trans69.2135.1164.8-73.9165.1-154.8-154.95.5117
401V31.7Very low30.4Very low129 Ų129143.5 Ų143.578%0.78276%0.759SS**  79.7132.850.5170.60000110.9
402S28.9Very low30.5Very low99 Ų99140.7 Ų140.769%0.69276%0.757SS**  cis-131.514825.946.80000113.8
403K30Very low30.5Very low139 Ų139140.4 Ų140.460%0.60476%0.756SS**  52.112374.1-74.6178.4170-164.90112.4Y405K403-Y405 HydrophobicContact CD-CD2 4.42Å; K403-Y405 HydrophobicContact CD-CE2 3.69Å; K403-Y405 WeakPolarHBondContact CE-OH 3.19Å; K403-Y405 HydrophobicContact CG-CE2 4.38Å; K403-Y405 PolarHBondContact NZ-OH 2.84Å
404I34.2Very low30.4Very low156 Ų156139.6 Ų139.680%0.876%0.757SS**  cis58117.225-54.4178.6000114.6
405Y27.9Very low30.5Very low190 Ų190140.7 Ų140.775%0.74576%0.764SS**  trans-147.6146142.8-98.5-66.4000112.8K403K403-Y405 HydrophobicContact CD-CD2 4.42Å; K403-Y405 HydrophobicContact CD-CE2 3.69Å; K403-Y405 WeakPolarHBondContact CE-OH 3.19Å; K403-Y405 HydrophobicContact CG-CE2 4.38Å; K403-Y405 PolarHBondContact NZ-OH 2.84Å
406S31.3Very low30.6Very low113 Ų113145.6 Ų145.679%0.7979%0.788SS**  trans-111.7149.6160.5176.30000108
407G28.9Very low30.6Very low73 Ų73146.5 Ų146.575%0.75379%0.792SS**  trans-125.8127.1-179.500000111.7
408K32.3Very low30.7Very low211 Ų211146 Ų14692%0.91779%0.791SS**  trans-101160.9174.6-110.1-177.8178-179.40111
409K36.1Very low30.7Very low204 Ų204148.4 Ų148.489%0.88780%0.795SS**  trans-65.2148.1173.4-57.5177.3178.2-177.90112.3
410T27.7Very low30.7Very low142 Ų142149.4 Ų149.487%0.87181%0.806SS**  trans-150.7154.1139.720.10000109.3
411C28.2Very low30.7Very low117 Ų117145.8 Ų145.879%0.79181%0.807SS**  trans-104.6151.3168.7-60.90000109
412T30.7Very low30.6Very low122 Ų122146.9 Ų146.975%0.74881%0.809SS**  168120.112341.30000110.2
413D28.8Very low30.7Very low147 Ų147150.3 Ų150.379%0.78682%0.817SS**  48.5163.6128.5-46.9-39.3000124.2
414V29.1Very low30.8Very low129 Ų129151.2 Ų151.278%0.78283%0.834SS**  trans88.894.9162-1670000118.3
415V30.8Very low30.5Very low127 Ų127150.8 Ų150.877%0.7784%0.837SS**  38.1115.2124.1-174.50000117.9
416I34.5Very low30.8Very low234 Ų234147.2 Ų147.2100%1.285%0.845SS**  -134.5082.1-76.7176.2000108.3

Retrieved 416 of 416 residues in 71.8 ms (Link to these results)