A0A087XDR1_POEFO Loading...

Myelin associated glycoprotein

AlphaFold DB , UniProt , Accession A0A087XDR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 649 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
1M35.9Very low32.7Very low222 Ų222160.1 Ų160.1100%1.09482%0.817SS**  0113.50-62.9113.180.200106.1
2W29.8Very low33.1Very low244 Ų244160 Ų16092%0.92482%0.818SS**  53.998.282.1-71.567.7000109.4
3C26.1Very low33.6Very low107 Ų107160.7 Ų160.772%0.72382%0.822SS**  cis113.3145.324-74.40000110.6
4L29.8Very low33.7Very low145 Ų145160.6 Ų160.676%0.75982%0.822SS**  trans68.5147.3172.4-82.977.7000117.3
5E32.8Very low33.8Very low155 Ų155156.7 Ų156.772%0.72481%0.814SS**  cis-170-177.8-27.3-133.4172.6-136.900112
6L30.6Very low34Very low136 Ų136156.8 Ų156.871%0.71282%0.816SS**  trans99.1100.7159-54.6-175.9000120.6
7L29.7Very low34.5Very low161 Ų161151.6 Ų151.684%0.84380%0.802SS**  64.8101.3127-63.7171.8000121.8
8I37.2Very low35.4Very low153 Ų153148 Ų14879%0.78578%0.783SS**  trans-63.9156.2133.9-64.2167.7000108.9
9P43.7Very low36.4Very low100 Ų100144.9 Ų144.965%0.64977%0.774SS**  cis-124.6159.1-3.333.1-16.7000115.4
10L30.4Very low38.6Very low172 Ų172145.7 Ų145.790%0.90177%0.772SS**SBendtrans-155.644.7150.4-134.2164.6000113.5
11L33.3Very low40.9Very low166 Ų166141.8 Ų141.887%0.86975%0.747SS**  trans-144.357.2174.6-109.3172.1000112.1
12L38.5Very low43.6Very low159 Ų159135.3 Ų135.383%0.83272%0.717SS**  trans-117.5156.4156.2-77.9172.7000107.9
13I39.5Very low46.7Very low169 Ų169124.2 Ų124.287%0.86768%0.675SS**  trans80.354.4-166.2-40.9166.7000113.5
14I34.4Very low50Low160 Ų160124 Ų12482%0.82166%0.659SS**  -127.5119.3114.2-58.7-176.4000106.2
15S35.4Very low53Low102 Ų102118.1 Ų118.171%0.71363%0.629SS**  trans-82.2119.5171.252.60000109.1A17S15-A17 PolarHBondContact O-N 2.72Å
16D37.3Very low55.9Low157 Ų157110.9 Ų110.984%0.8460%0.595SS**  trans-76.271.3-178.2-127.1-26.3000111.4
17A41.4Very low58.8Low69 Ų69113.4 Ų113.457%0.5760%0.595SS**  trans-85.1116.3-178.700000111.3S15S15-A17 PolarHBondContact O-N 2.72Å
18N52.3Low61.8Low87 Ų87110.1 Ų110.147%0.46558%0.579SS.*SBendtrans74.569.8161.1-52.7-30.8000118M44 S47N18-M44 HydrophobicContact CB-CE 4.31Å; N18-M44 WeakPolarHBondContact OD1-CE 3.45Å; N18-S47 PolarHBondContact O-OG 2.71Å
19C53.8Low64.6Low90 Ų90103 Ų10361%0.60854%0.542SS*.  trans-128.619.7170.7-91.40000116
20Q79.7Confident67.1Low160 Ų16099.9 Ų99.975%0.74852%0.523SS*.SBendtrans-125.4158177.4-70.1-172.9-1100113.1
21W88.5Confident70.2Confident64 Ų6491.8 Ų91.824%0.24248%0.481CS..  trans-79120.7166.1-64.592000108.3M44 Y45 I49 A119 V121 Y127 Y129W21-M44 WeakPolarHBondContact CA-O 3.38Å; W21-Y45 VanDerWaalsContact CZ3-CB 3.45Å; W21-I49 HydrophobicContact CH2-CD1 4.44Å; W21-I49 HydrophobicContact CZ2-CD1 3.99Å; W21-A119 HydrophobicContact CZ3-CB 4.42Å; W21-V121 HydrophobicContact CH2-CG2 3.81Å; W21-Y127 HydrophobicContact CB-CD1 3.82Å; W21-Y127 HydrophobicContact CB-CD2 4.37Å; W21-Y127 HydrophobicContact CB-CE1 3.61Å; W21-Y127 HydrophobicContact CB-CE2 4.19Å; W21-Y127 HydrophobicContact CB-CG 4.19Å; W21-Y127 HydrophobicContact CD2-CD1 4.02Å; W21-Y127 HydrophobicContact CD2-CD2 4.02Å; W21-Y127 AromaticContact CD2-CG 3.66Å; W21-Y127 HydrophobicContact CD2-CG 3.66Å; W21-Y127 VanDerWaalsContact CE3-CB 3.41Å; W21-Y127 AromaticContact CE3-CD1 3.87Å; W21-Y127 HydrophobicContact CE3-CD1 3.87Å; W21-Y127 HydrophobicContact CE3-CD2 4.49Å; W21-Y127 AromaticContact CE3-CG 3.69Å; W21-Y127 HydrophobicContact CE3-CG 3.69Å; W21-Y127 HydrophobicContact CG-CD1 4.04Å; W21-Y127 AromaticContact CG-CD2 3.97Å; W21-Y127 HydrophobicContact CG-CD2 3.97Å; W21-Y127 HydrophobicContact CG-CE1 4.21Å; W21-Y127 HydrophobicContact CG-CE2 4.16Å; W21-Y127 AromaticContact CG-CG 3.92Å; W21-Y127 HydrophobicContact CG-CG 3.92Å; W21-Y127 VanDerWaalsContact CZ3-CB 3.44Å; W21-Y127 HydrophobicContact CZ3-CG 4.24Å; W21-Y129 HydrophobicContact CB-CE1 4.18Å; W21-Y129 HydrophobicContact CE3-CE1 4.29Å
22N92.4Very high73.2Confident85 Ų8583.9 Ų83.946%0.45544%0.439SS..EExtended strand (participates in β ladder)trans-144.3158.2178-168.724.4000110.2M44 Y129N22-M44 HydrophobicContact CB-CB 4.34Å; N22-M44 PolarHBondContact N-O 2.89Å; N22-M44 PolarHBondContact O-N 2.8Å; N22-Y129 WeakPolarHBondContact O-CE1 3.34Å
23I94.7Very high75.9Confident11 Ų1177.2 Ų77.26%0.05641%0.405CS..EExtended strand (participates in β ladder)trans-136.5149.7171.2-161.6168.5000110L25 S42 F43 F117 Y129 D131I23-L25 HydrophobicContact CD1-CD1 4.11Å; I23-L25 HydrophobicContact CD1-CD2 4.48Å; I23-L25 HydrophobicContact CD1-CG 4.15Å; I23-L25 HydrophobicContact CG1-CG 4.19Å; I23-L25 HydrophobicContact CG2-CD1 4.35Å; I23-S42 WeakPolarHBondContact CG1-O 3.41Å; I23-F43 HydrophobicContact CD1-CB 4.28Å; I23-F43 HydrophobicContact CG1-CB 3.98Å; I23-F117 HydrophobicContact CD1-CB 3.6Å; I23-F117 HydrophobicContact CD1-CD1 3.84Å; I23-F117 HydrophobicContact CD1-CG 4.13Å; I23-Y129 HydrophobicContact CB-CD1 3.74Å; I23-Y129 HydrophobicContact CB-CD2 4.33Å; I23-Y129 HydrophobicContact CB-CE1 4.26Å; I23-Y129 HydrophobicContact CB-CG 3.78Å; I23-Y129 HydrophobicContact CD1-CD2 3.86Å; I23-Y129 HydrophobicContact CD1-CE2 4.44Å; I23-Y129 HydrophobicContact CD1-CG 4.04Å; I23-Y129 HydrophobicContact CG1-CG 4.48Å; I23-Y129 HydrophobicContact CG2-CD1 4.09Å; I23-Y129 HydrophobicContact CG2-CG 3.95Å; I23-D131 HydrophobicContact CG2-CB 3.76Å
24W94.4Very high78.6Confident103 Ų10373.2 Ų73.239%0.3939%0.385SS..EExtended strand (participates in β ladder)trans-114.3128.9166.4-179.690.4000108.7P40 S42 S193 N194W24-P40 HydrophobicContact CH2-CB 4.46Å; W24-P40 HydrophobicContact CH2-CG 4.19Å; W24-P40 HydrophobicContact CZ3-CB 4.02Å; W24-P40 HydrophobicContact CZ3-CG 4.15Å; W24-S42 PolarHBondContact N-O 3.44Å; W24-S42 PolarHBondContact O-N 2.94Å; W24-S42 VanDerWaalsContact O-N 3.08Å; W24-S193 WeakPolarHBondContact CH2-O 3.34Å; W24-S193 WeakPolarHBondContact CZ2-O 3.05Å; W24-N194 HydrophobicContact CH2-CB 4.03Å; W24-N194 WeakPolarHBondContact CH2-ND2 3.35Å
25L93.8Very high81.4Confident22 Ų2265.8 Ų65.812%0.11535%0.348CS..  trans-143.6149.9179.2-72172.4000107.5I23 I39 C41 W59 A133I23-L25 HydrophobicContact CD1-CD1 4.11Å; I23-L25 HydrophobicContact CD1-CD2 4.48Å; I23-L25 HydrophobicContact CD1-CG 4.15Å; I23-L25 HydrophobicContact CG1-CG 4.19Å; I23-L25 HydrophobicContact CG2-CD1 4.35Å; L25-I39 HydrophobicContact CD2-CG2 4.32Å; L25-C41 HydrophobicContact CD2-CB 3.66Å; L25-C41 VanDerWaalsContact CD2-SG 3.52Å; L25-W59 HydrophobicContact CD2-CH2 3.63Å; L25-W59 HydrophobicContact CD2-CZ3 4.35Å; L25-A133 HydrophobicContact CB-CB 4.5Å
26P93.9Very high84.3Confident3 Ų361.3 Ų61.32%0.01932%0.316CS..  trans-66136.4161.930.9-33.6000108.5I29 I39 P40 A133 T195P26-I29 HydrophobicContact CG-CB 4.44Å; P26-I29 HydrophobicContact CG-CD1 4.34Å; P26-I39 HydrophobicContact CG-CG2 4.48Å; P26-P40 WeakPolarHBondContact CD-O 3.43Å; P26-P40 HydrophobicContact CG-CG 4.07Å; P26-A133 HydrophobicContact CG-CB 4.42Å; P26-A133 VanDerWaalsContact O-CA 3.27Å; P26-A133 WeakPolarHBondContact O-CA 3.49Å; P26-A133 VanDerWaalsContact O-CB 3.27Å; P26-A133 WeakPolarHBondContact O-CB 3.49Å; P26-T195 HydrophobicContact CB-CG2 3.48Å; P26-T195 VanDerWaalsContact CB-CG2 3.48Å; P26-T195 HydrophobicContact CG-CG2 4.05Å
27R90.5Very high87.1Confident189 Ų18953.9 Ų53.971%0.71328%0.276SS*.SBendtrans-66-48.5-178.3-178.5-169.9166.2165.1-0.7111.3E134R27-E134 PolarHBondContact O-N 3.29Å
28D93.2Very high89.7Confident92 Ų9251.8 Ų51.849%0.49226%0.256SS..EExtended strand (participates in β ladder)trans-126.2135.2-177.2-56.7-84.6000107.2
29I95.4Very high91.8Very high4 Ų447.6 Ų47.62%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-145145.7178.1-171.5169.3000109.7P26 V37 V38 I39 A133 E134 L135 K136 N164 T195P26-I29 HydrophobicContact CG-CB 4.44Å; P26-I29 HydrophobicContact CG-CD1 4.34Å; I29-V37 HydrophobicContact CD1-CG2 3.83Å; I29-V37 HydrophobicContact CG1-CG2 4.07Å; I29-V38 WeakPolarHBondContact CD1-O 3.26Å; I29-I39 HydrophobicContact CG2-CG1 4.48Å; I29-A133 HydrophobicContact CG2-CB 4.43Å; I29-E134 PolarHBondContact N-O 3.15Å; I29-L135 HydrophobicContact CG2-CB 4.35Å; I29-L135 HydrophobicContact CG2-CD1 4.07Å; I29-L135 CarbonylContact O-C 3.29Å; I29-L135 WeakPolarHBondContact O-CA 3.29Å; I29-K136 PolarHBondContact O-N 2.85Å; I29-N164 HydrophobicContact CD1-CB 4.22Å; I29-N164 HydrophobicContact CG1-CB 4.25Å; I29-T195 HydrophobicContact CB-CG2 4.1Å; I29-T195 HydrophobicContact CD1-CG2 3.98Å; I29-T195 HydrophobicContact CG1-CG2 3.85Å
30S95.4Very high93.8Very high34 Ų3444.2 Ų44.224%0.23821%0.211CC..EExtended strand (participates in β ladder)trans-128.9156.4-175.7-640000112.9K136 P162 N164S30-K136 VanDerWaalsContact CA-O 3.24Å; S30-K136 WeakPolarHBondContact CA-O 3.01Å; S30-P162 VanDerWaalsContact O-CB 3.26Å; S30-P162 WeakPolarHBondContact O-CB 3.27Å; S30-N164 PolarHBondContact O-ND2 3.3Å
31A95.8Very high94.5Very high2 Ų236.8 Ų36.82%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-154.5161.917300000110.7C36 V37 V107 K136 V137 L138A31-C36 WeakPolarHBondContact CB-O 3.38Å; A31-V37 HydrophobicContact CB-CB 3.79Å; A31-V37 HydrophobicContact CB-CG2 4.15Å; A31-V107 HydrophobicContact CB-CG2 4.08Å; A31-K136 PolarHBondContact N-O 3.17Å; A31-V137 CarbonylContact O-C 3.53Å; A31-V137 WeakPolarHBondContact O-CA 3.43Å; A31-L138 PolarHBondContact O-N 2.75Å
32M96.2Very high94.9Very high0 Ų036.5 Ų36.50%019%0.185CC..EExtended strand (participates in β ladder)trans-84.3150175.6-58.8-54.9-68.900111.2S35 L138 P162 F221 Y228M32-S35 PolarHBondContact N-OG 3.22Å; M32-S35 WeakPolarHBondContact O-CB 3.48Å; M32-S35 PolarHBondContact O-N 2.87Å; M32-S35 VanDerWaalsContact O-N 3.12Å; M32-S35 PolarHBondContact O-OG 3.4Å; M32-L138 CarbonylContact C-O 3.2Å; M32-L138 WeakPolarHBondContact CA-O 2.98Å; M32-L138 HydrophobicContact CE-CB 4.27Å; M32-L138 HydrophobicContact SD-CB 3.82Å; M32-L138 HydrophobicContact SD-CD1 4.32Å; M32-P162 HydrophobicContact CG-CG 4.24Å; M32-P162 HydrophobicContact SD-CG 4.01Å; M32-F221 HydrophobicContact CB-CE2 4.1Å; M32-F221 HydrophobicContact CB-CZ 4.19Å; M32-F221 HydrophobicContact CG-CE2 3.99Å; M32-F221 HydrophobicContact CG-CZ 3.9Å; M32-Y228 HydrophobicContact CB-CD2 4.43Å; M32-Y228 HydrophobicContact CB-CE2 4.08Å; M32-Y228 HydrophobicContact CE-CD1 3.82Å; M32-Y228 HydrophobicContact CE-CD2 3.68Å; M32-Y228 HydrophobicContact CE-CE1 4.49Å; M32-Y228 HydrophobicContact CE-CE2 4.41Å; M32-Y228 HydrophobicContact CE-CG 3.37Å; M32-Y228 HydrophobicContact CG-CD2 4.45Å; M32-Y228 HydrophobicContact CG-CE2 4.49Å
33T96.2Very high95Very high18 Ų1832.5 Ų32.511%0.1116%0.163CC..THydrogen-bonded Turntrans-56142.3174.150.70000111.6S35 V107 T109 V137 L138 D139 Y228T33-S35 PolarHBondContact O-N 3.33Å; T33-V107 CarbonylContact C-O 3.55Å; T33-V107 VanDerWaalsContact CA-O 3.22Å; T33-V107 WeakPolarHBondContact CA-O 3.48Å; T33-T109 HydrophobicContact CG2-CG2 3.54Å; T33-V137 HydrophobicContact CG2-CG1 3.73Å; T33-L138 PolarHBondContact N-O 3.28Å; T33-D139 HydrophobicContact CG2-CB 4.2Å; T33-Y228 PolarHBondContact O-OH 2.86Å; T33-Y228 WeakPolarHBondContact OG1-CE1 3.47Å
34N95.1Very high94.9Very high86 Ų8634.6 Ų34.646%0.4617%0.173SC..THydrogen-bonded Turntrans63.7-7.6-173.6-49-71.5000116.5N106 V107 L226N34-N106 PolarHBondContact OD1-OD1 3.15Å; N34-V107 PolarHBondContact N-O 2.87Å; N34-L226 HydrophobicContact CB-CD1 4.06Å; N34-L226 HydrophobicContact CB-CD2 4.02Å
35S94.7Very high94.7Very high4 Ų430.7 Ų30.73%0.02816%0.159CC..SBendtrans-78.4-168.6169.878.70000111.5M32 T33 N106 V107M32-S35 PolarHBondContact N-OG 3.22Å; M32-S35 WeakPolarHBondContact O-CB 3.48Å; M32-S35 PolarHBondContact O-N 2.87Å; M32-S35 VanDerWaalsContact O-N 3.12Å; M32-S35 PolarHBondContact O-OG 3.4Å; T33-S35 PolarHBondContact O-N 3.33Å; S35-N106 CarbonylContact O-C 3.58Å; S35-N106 WeakPolarHBondContact O-CA 3.41Å; S35-N106 PolarHBondContact O-N 3.17Å; S35-V107 PolarHBondContact O-N 2.76Å
36C95.1Very high94.5Very high8 Ų831 Ų315%0.05416%0.162CC..EExtended strand (participates in β ladder)trans-106.9170.8168.783.90000112.4A31 L103 I104 C165A31-C36 WeakPolarHBondContact CB-O 3.38Å; C36-L103 HydrophobicContact CB-CD1 3.94Å; C36-I104 CarbonylContact C-O 3.55Å; C36-I104 VanDerWaalsContact CA-O 3.29Å; C36-I104 WeakPolarHBondContact CA-O 3.34Å; C36-C165 VanDerWaalsContact CA-SG 3.57Å; C36-C165 HydrophobicContact CB-CB 4.22Å; C36-C165 WeakPolarHBondContact CB-SG 3.34Å; C36-C165 PolarHBondContact N-SG 2.02Å; C36-C165 VanDerWaalsContact N-SG 3.37Å; C36-C165 WeakPolarHBondContact O-CB 3.29Å; C36-C165 WeakPolarHBondContact SG-CA 3.02Å; C36-C165 WeakPolarHBondContact SG-CB 3.37Å; C36-C165 CovalentContact SG-SG 2.03Å; C36-C165 PolarHBondContact SG-SG 3.19Å
37V96.6Very high94Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-139.2138.7164.667.10000110.1I29 A31 L103 I104 V107 L135 N164I29-V37 HydrophobicContact CD1-CG2 3.83Å; I29-V37 HydrophobicContact CG1-CG2 4.07Å; A31-V37 HydrophobicContact CB-CB 3.79Å; A31-V37 HydrophobicContact CB-CG2 4.15Å; V37-L103 CarbonylContact O-C 3.58Å; V37-L103 WeakPolarHBondContact O-CA 3.22Å; V37-I104 HydrophobicContact CG1-CB 3.98Å; V37-I104 HydrophobicContact CG1-CD1 4.49Å; V37-I104 HydrophobicContact CG1-CG1 4.35Å; V37-I104 PolarHBondContact N-O 2.93Å; V37-I104 PolarHBondContact O-N 2.94Å; V37-V107 HydrophobicContact CG1-CG1 4.11Å; V37-L135 HydrophobicContact CB-CD1 4.27Å; V37-L135 HydrophobicContact CG1-CD1 4Å; V37-L135 HydrophobicContact CG1-CD2 4.01Å; V37-L135 HydrophobicContact CG2-CD1 3.93Å; V37-N164 CarbonylContact C-O 3.57Å; V37-N164 WeakPolarHBondContact CA-O 3.4Å; V37-N164 HydrophobicContact CG2-CB 4Å
38V96.3Very high93.6Very high25 Ų2528.9 Ų28.915%0.15219%0.187CC..EExtended strand (participates in β ladder)trans-103.3119.2165.31750000108.5I29 P40 L92 T101 L102 L103 N164 P166I29-V38 WeakPolarHBondContact CD1-O 3.26Å; V38-P40 WeakPolarHBondContact O-CD 3.34Å; V38-L92 HydrophobicContact CG1-CD1 4.19Å; V38-L92 HydrophobicContact CG2-CD1 3.93Å; V38-T101 HydrophobicContact CG1-CG2 3.43Å; V38-T101 VanDerWaalsContact CG1-CG2 3.43Å; V38-L102 CarbonylContact C-O 3.34Å; V38-L102 WeakPolarHBondContact CA-O 3.4Å; V38-L103 HydrophobicContact CG2-CB 4.44Å; V38-L103 HydrophobicContact CG2-CD1 3.62Å; V38-N164 PolarHBondContact N-O 2.89Å; V38-P166 VanDerWaalsContact CG2-CD 3.49Å; V38-P166 HydrophobicContact CG2-CG 3.83Å
39I96.5Very high93.2Very high0 Ų026 Ų260%017%0.172CC..EExtended strand (participates in β ladder)trans-93.6101171.5-54.3178.7000107.4L25 P26 I29 W59 T101 L102 I104 Y115 A133L25-I39 HydrophobicContact CD2-CG2 4.32Å; P26-I39 HydrophobicContact CG-CG2 4.48Å; I29-I39 HydrophobicContact CG2-CG1 4.48Å; I39-W59 HydrophobicContact CB-CH2 4.45Å; I39-W59 HydrophobicContact CG2-CH2 3.83Å; I39-W59 HydrophobicContact CG2-CZ3 4.49Å; I39-T101 WeakPolarHBondContact O-CA 3.31Å; I39-L102 PolarHBondContact N-O 3.37Å; I39-L102 PolarHBondContact O-N 2.85Å; I39-I104 HydrophobicContact CD1-CD1 4.18Å; I39-Y115 HydrophobicContact CD1-CD1 4.38Å; I39-Y115 HydrophobicContact CD1-CD2 4.18Å; I39-Y115 HydrophobicContact CD1-CG 3.97Å; I39-A133 HydrophobicContact CG2-CB 3.68Å
40P95.3Very high92.6Very high19 Ų1936.6 Ų36.612%0.12321%0.211CC..  trans-67.3137.5177.230-36.3000110.3W24 P26 V38 N194W24-P40 HydrophobicContact CH2-CB 4.46Å; W24-P40 HydrophobicContact CH2-CG 4.19Å; W24-P40 HydrophobicContact CZ3-CB 4.02Å; W24-P40 HydrophobicContact CZ3-CG 4.15Å; P26-P40 WeakPolarHBondContact CD-O 3.43Å; P26-P40 HydrophobicContact CG-CG 4.07Å; V38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-N194 HydrophobicContact CB-CB 4.21Å; P40-N194 HydrophobicContact CG-CB 3.85Å
41C95.4Very high92Very high4 Ų436.6 Ų36.63%0.02721%0.21CC..  trans-153.2129.9-167.91800000111.4L25 W59 N99 C100 T101L25-C41 HydrophobicContact CD2-CB 3.66Å; L25-C41 VanDerWaalsContact CD2-SG 3.52Å; C41-W59 HydrophobicContact CB-CH2 4.11Å; C41-W59 HydrophobicContact CB-CZ2 3.75Å; C41-W59 WeakPolarHBondContact SG-CZ2 3.2Å; C41-N99 PolarHBondContact O-OD1 2.9Å; C41-C100 HydrophobicContact CB-CB 3.88Å; C41-C100 WeakPolarHBondContact CB-SG 3.5Å; C41-C100 PolarHBondContact O-N 3.33Å; C41-C100 PolarHBondContact O-SG 2.85Å; C41-C100 VanDerWaalsContact O-SG 3.36Å; C41-C100 WeakPolarHBondContact SG-CB 3.48Å; C41-C100 CovalentContact SG-SG 2.02Å; C41-C100 PolarHBondContact SG-SG 2.66Å; C41-T101 PolarHBondContact N-OG1 2.69Å; C41-T101 VanDerWaalsContact N-OG1 3.08Å
42S95.1Very high91.2Very high58 Ų5841.4 Ų41.441%0.40625%0.25SC..EExtended strand (participates in β ladder)trans-136.5129.6177.4-176.10000110.5I23 W24 R98 C100I23-S42 WeakPolarHBondContact CG1-O 3.41Å; W24-S42 PolarHBondContact N-O 3.44Å; W24-S42 PolarHBondContact O-N 2.94Å; W24-S42 VanDerWaalsContact O-N 3.08Å; S42-R98 WeakPolarHBondContact CA-O 3.46Å; S42-C100 PolarHBondContact N-SG 2.79Å
43F94.6Very high90.6Very high0 Ų052.1 Ų52.10%029%0.29CS..EExtended strand (participates in β ladder)trans-128.3148-170.972.4-81.3000114.4I23 Y45 V55 L95 R98 C100 F117 A119 Y129I23-F43 HydrophobicContact CD1-CB 4.28Å; I23-F43 HydrophobicContact CG1-CB 3.98Å; F43-Y45 HydrophobicContact CD2-CD1 4.05Å; F43-Y45 AromaticContact CE2-CD1 3.78Å; F43-Y45 HydrophobicContact CE2-CD1 3.78Å; F43-Y45 AromaticContact CE2-CE1 3.9Å; F43-Y45 HydrophobicContact CE2-CE1 3.9Å; F43-V55 HydrophobicContact CE2-CG1 3.97Å; F43-V55 HydrophobicContact CZ-CG1 3.74Å; F43-L95 HydrophobicContact CE1-CB 4.4Å; F43-L95 HydrophobicContact CE1-CD2 3.88Å; F43-L95 HydrophobicContact CZ-CB 4.19Å; F43-L95 HydrophobicContact CZ-CD2 4.28Å; F43-L95 VanDerWaalsContact CZ-O 3.28Å; F43-L95 WeakPolarHBondContact CZ-O 3.45Å; F43-R98 WeakPolarHBondContact CD1-O 3.37Å; F43-R98 WeakPolarHBondContact CE1-O 3.45Å; F43-R98 PolarHBondContact N-O 2.9Å; F43-R98 VanDerWaalsContact O-CB 3.22Å; F43-R98 WeakPolarHBondContact O-CB 3.44Å; F43-R98 WeakPolarHBondContact O-CD 3.36Å; F43-R98 VanDerWaalsContact O-CG 3.3Å; F43-R98 WeakPolarHBondContact O-CG 3.35Å; F43-C100 HydrophobicContact CD1-CB 3.73Å; F43-C100 VanDerWaalsContact CD1-SG 3.51Å; F43-C100 HydrophobicContact CE1-CB 4.02Å; F43-F117 HydrophobicContact CB-CD1 4.36Å; F43-F117 HydrophobicContact CB-CE1 4.27Å; F43-F117 HydrophobicContact CD1-CD1 4.48Å; F43-F117 AromaticContact CD1-CE1 3.74Å; F43-F117 HydrophobicContact CD1-CE1 3.74Å; F43-F117 HydrophobicContact CD1-CZ 4.36Å; F43-F117 HydrophobicContact CD2-CE1 4.06Å; F43-F117 AromaticContact CE1-CE1 3.97Å; F43-F117 HydrophobicContact CE1-CE1 3.97Å; F43-F117 HydrophobicContact CE1-CZ 4.21Å; F43-F117 HydrophobicContact CE2-CE1 4.28Å; F43-F117 HydrophobicContact CG-CD1 4.34Å; F43-F117 AromaticContact CG-CE1 3.77Å; F43-F117 HydrophobicContact CG-CE1 3.77Å; F43-F117 HydrophobicContact CZ-CE1 4.24Å; F43-F117 HydrophobicContact CZ-CZ 4.47Å; F43-A119 HydrophobicContact CD2-CB 4.15Å; F43-A119 HydrophobicContact CE2-CB 4Å; F43-Y129 HydrophobicContact CB-CE2 4.12Å; F43-Y129 HydrophobicContact CD2-CE2 4.42Å; F43-Y129 WeakPolarHBondContact CD2-OH 3.17Å
44M92.8Very high90.2Very high55 Ų5552.4 Ų52.427%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-122.9139.9-177.1-57.6-17575.800110.7N18 W21 N22 Y129N18-M44 HydrophobicContact CB-CE 4.31Å; N18-M44 WeakPolarHBondContact OD1-CE 3.45Å; W21-M44 WeakPolarHBondContact CA-O 3.38Å; N22-M44 HydrophobicContact CB-CB 4.34Å; N22-M44 PolarHBondContact N-O 2.89Å; N22-M44 PolarHBondContact O-N 2.8Å; M44-Y129 PolarHBondContact O-OH 3.2Å
45Y90.9Very high90Very high22 Ų2248.6 Ų48.69%0.08628%0.277CS..  trans-137.6154.6173.758.2-94.9000109.3W21 F43 S47 I49 P51 V55 R98 V121W21-Y45 VanDerWaalsContact CZ3-CB 3.45Å; F43-Y45 HydrophobicContact CD2-CD1 4.05Å; F43-Y45 AromaticContact CE2-CD1 3.78Å; F43-Y45 HydrophobicContact CE2-CD1 3.78Å; F43-Y45 AromaticContact CE2-CE1 3.9Å; F43-Y45 HydrophobicContact CE2-CE1 3.9Å; Y45-S47 PolarHBondContact O-N 2.83Å; Y45-I49 HydrophobicContact CD2-CB 4.32Å; Y45-P51 HydrophobicContact CE2-CG 4.22Å; Y45-V55 HydrophobicContact CE1-CG2 4.15Å; Y45-R98 HydrophobicContact CE1-CG 4.21Å; Y45-V121 HydrophobicContact CD1-CG1 3.95Å; Y45-V121 HydrophobicContact CD2-CG1 4.28Å; Y45-V121 HydrophobicContact CE1-CG1 4.06Å; Y45-V121 HydrophobicContact CE2-CG1 4.38Å; Y45-V121 HydrophobicContact CG-CG1 4.06Å
46P89.3Confident90Very high28 Ų2850.9 Ų50.918%0.18229%0.287CS..  trans-53.2129.2-175.5-3036.1000113.8G48 I49P46-G48 PolarHBondContact O-N 2.98Å; P46-G48 VanDerWaalsContact O-N 3.12Å; P46-I49 HydrophobicContact CB-CD1 4.19Å; P46-I49 HydrophobicContact CB-CG1 4.39Å; P46-I49 HydrophobicContact CG-CD1 4.31Å; P46-I49 WeakPolarHBondContact O-CB 3.26Å; P46-I49 PolarHBondContact O-N 3.05Å
47S82.9Confident90Very high76 Ų7650.6 Ų50.653%0.53129%0.285SS..THydrogen-bonded Turntrans-61.5-21.6-172.254.60000115.2N18 Y45 I49N18-S47 PolarHBondContact O-OG 2.71Å; Y45-S47 PolarHBondContact O-N 2.83Å; S47-I49 VanDerWaalsContact C-N 3.28Å; S47-I49 PolarHBondContact O-N 2.96Å
48G82.6Confident90Very high71 Ų7151.8 Ų51.873%0.73229%0.291SS*.THydrogen-bonded Turntrans-71-16.2173.100000114.7P46P46-G48 PolarHBondContact O-N 2.98Å; P46-G48 VanDerWaalsContact O-N 3.12Å
49I84.2Confident90.1Very high33 Ų3350.6 Ų50.617%0.16928%0.284CS..  trans-82.7122.8178.8-54.7172.3000109.6W21 Y45 P46 S47 V121 N125W21-I49 HydrophobicContact CH2-CD1 4.44Å; W21-I49 HydrophobicContact CZ2-CD1 3.99Å; Y45-I49 HydrophobicContact CD2-CB 4.32Å; P46-I49 HydrophobicContact CB-CD1 4.19Å; P46-I49 HydrophobicContact CB-CG1 4.39Å; P46-I49 HydrophobicContact CG-CD1 4.31Å; P46-I49 WeakPolarHBondContact O-CB 3.26Å; P46-I49 PolarHBondContact O-N 3.05Å; S47-I49 VanDerWaalsContact C-N 3.28Å; S47-I49 PolarHBondContact O-N 2.96Å; I49-V121 HydrophobicContact CD1-CG2 4.26Å; I49-V121 HydrophobicContact CG2-CB 4.33Å; I49-V121 HydrophobicContact CG2-CG2 3.74Å; I49-N125 HydrophobicContact CD1-CB 4.29Å
50R82.9Confident90.1Very high226 Ų22651.4 Ų51.485%0.85329%0.288SS*.  trans-110.4106.2175-65.3-173.5179.4-168.2-0.7109.9A52R50-A52 PolarHBondContact O-N 2.94Å
51P83.8Confident90.2Very high33 Ų3352.6 Ų52.621%0.21429%0.291CS..  trans-70.499.5-173.7-17.531.2000112.2Y45 R53 G54 V55 V121Y45-P51 HydrophobicContact CE2-CG 4.22Å; P51-R53 PolarHBondContact O-N 2.99Å; P51-G54 VanDerWaalsContact CB-O 3.25Å; P51-G54 WeakPolarHBondContact CB-O 3.45Å; P51-G54 PolarHBondContact O-N 2.86Å; P51-G54 VanDerWaalsContact O-N 3.08Å; P51-V55 HydrophobicContact CB-CG2 4.12Å; P51-V55 HydrophobicContact CG-CG2 3.75Å; P51-V121 HydrophobicContact CB-CB 4.46Å; P51-V121 HydrophobicContact CG-CB 4.15Å
52A78.1Confident90.3Very high103 Ų10353.8 Ų53.885%0.85130%0.304SS*.THydrogen-bonded Turntrans-66.8-4-173.500000115.6R50R50-A52 PolarHBondContact O-N 2.94Å
53R83.3Confident90.2Very high225 Ų22555.5 Ų55.585%0.84931%0.305SS*.THydrogen-bonded Turntrans-132.621.5174.4-64.2-173.6178.2179.5-1112.4P51 H56P51-R53 PolarHBondContact O-N 2.99Å; R53-H56 PolarHBondContact O-CE1 2.93Å
54G87.9Confident90.1Very high25 Ų2556 Ų5626%0.25831%0.309SS..  trans75.4-177.2-166.900000112.4P51 N96P51-G54 VanDerWaalsContact CB-O 3.25Å; P51-G54 WeakPolarHBondContact CB-O 3.45Å; P51-G54 PolarHBondContact O-N 2.86Å; P51-G54 VanDerWaalsContact O-N 3.08Å; G54-N96 WeakPolarHBondContact CA-OD1 3.34Å
55V92.6Very high90.1Very high6 Ų658.3 Ų58.34%0.03632%0.315CS..  trans-96142.1175.8-175.70000110.7F43 Y45 P51 L95 N96 V121F43-V55 HydrophobicContact CE2-CG1 3.97Å; F43-V55 HydrophobicContact CZ-CG1 3.74Å; Y45-V55 HydrophobicContact CE1-CG2 4.15Å; P51-V55 HydrophobicContact CB-CG2 4.12Å; P51-V55 HydrophobicContact CG-CG2 3.75Å; V55-L95 HydrophobicContact CB-CB 3.96Å; V55-L95 HydrophobicContact CG1-CB 4.02Å; V55-N96 PolarHBondContact N-OD1 2.9Å; V55-V121 HydrophobicContact CG1-CG1 3.87Å; V55-V121 HydrophobicContact CG2-CG1 4.13Å
56H94.1Very high90.1Very high52 Ų5259.6 Ų59.624%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-121.1150.6172.2-57.7-22.3000110.2R53 D120R53-H56 PolarHBondContact O-CE1 2.93Å; H56-D120 HydrophobicContact CB-CB 4.29Å; H56-D120 PolarHBondContact N-O 2.97Å; H56-D120 PolarHBondContact O-N 3.41Å
57G94.8Very high90.3Very high1 Ų164.2 Ų64.21%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-133.3150.3-174.800000111.7K75 S76 L95 R118G57-K75 WeakPolarHBondContact O-CA 3.34Å; G57-S76 PolarHBondContact N-OG 2.88Å; G57-S76 PolarHBondContact O-N 2.83Å; G57-S76 PolarHBondContact O-OG 2.9Å; G57-L95 VanDerWaalsContact N-CD1 3.3Å; G57-R118 CarbonylContact C-O 3.58Å; G57-R118 WeakPolarHBondContact CA-O 3.37Å
58I96.5Very high90.7Very high25 Ų2565.1 Ų65.113%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-133.3131.8171.7-39.9-175.1000107.4Y60 V72 F74 K75 F117 R118I58-Y60 HydrophobicContact CG2-CD1 4.1Å; I58-Y60 HydrophobicContact CG2-CE1 3.64Å; I58-Y60 HydrophobicContact CG2-CE2 4.45Å; I58-V72 HydrophobicContact CG2-CG1 4.12Å; I58-F74 WeakPolarHBondContact CA-O 3.42Å; I58-F74 WeakPolarHBondContact CG2-O 3.09Å; I58-K75 HydrophobicContact CG1-CG 4.24Å; I58-K75 HydrophobicContact CG2-CB 4.36Å; I58-K75 HydrophobicContact CG2-CG 4.43Å; I58-F117 WeakPolarHBondContact O-CD2 3.44Å; I58-R118 HydrophobicContact CB-CB 4.34Å; I58-R118 PolarHBondContact N-O 3.1Å; I58-R118 PolarHBondContact O-N 2.91Å
59W97.9Very high91.2Very high0 Ų070.5 Ų70.50%035%0.347CS..EExtended strand (participates in β ladder)trans-101.6134.2167.3-80.196.9000109.3L25 I39 C41 V73 F74 C100 L102 Y116 F117L25-W59 HydrophobicContact CD2-CH2 3.63Å; L25-W59 HydrophobicContact CD2-CZ3 4.35Å; I39-W59 HydrophobicContact CB-CH2 4.45Å; I39-W59 HydrophobicContact CG2-CH2 3.83Å; I39-W59 HydrophobicContact CG2-CZ3 4.49Å; C41-W59 HydrophobicContact CB-CH2 4.11Å; C41-W59 HydrophobicContact CB-CZ2 3.75Å; C41-W59 WeakPolarHBondContact SG-CZ2 3.2Å; W59-V73 HydrophobicContact CB-CB 3.86Å; W59-V73 HydrophobicContact CB-CG1 4.25Å; W59-V73 PolarHBondContact O-N 2.87Å; W59-F74 HydrophobicContact CB-CB 4.25Å; W59-F74 PolarHBondContact N-O 2.83Å; W59-C100 WeakPolarHBondContact CZ2-O 3.38Å; W59-C100 PolarHBondContact NE1-O 2.8Å; W59-C100 VanDerWaalsContact NE1-O 3.09Å; W59-L102 HydrophobicContact CB-CD2 4.23Å; W59-L102 HydrophobicContact CD2-CD2 3.86Å; W59-L102 HydrophobicContact CE3-CD2 4.4Å; W59-L102 HydrophobicContact CG-CD2 3.81Å; W59-L102 HydrophobicContact CZ2-CB 3.93Å; W59-Y116 WeakPolarHBondContact CA-O 3.28Å; W59-F117 AromaticContact CD1-CD2 3.82Å; W59-F117 HydrophobicContact CD2-CB 4.36Å; W59-F117 HydrophobicContact CD2-CD2 4.03Å; W59-F117 AromaticContact CE2-CD2 3.86Å; W59-F117 HydrophobicContact CE3-CB 4.33Å; W59-F117 HydrophobicContact CG-CD2 4.06Å; W59-F117 HydrophobicContact CZ3-CB 4.46Å; W59-F117 AromaticContact NE1-CD2 3.65Å
60Y97.8Very high91.7Very high18 Ų1869.5 Ų69.57%0.07134%0.343CS..EExtended strand (participates in β ladder)trans-119.9144179.2-67.2-52.4000111.1I58 Q63 P64 P70 V72 Y115 Y116 R118I58-Y60 HydrophobicContact CG2-CD1 4.1Å; I58-Y60 HydrophobicContact CG2-CE1 3.64Å; I58-Y60 HydrophobicContact CG2-CE2 4.45Å; Y60-Q63 VanDerWaalsContact CB-O 3.32Å; Y60-Q63 WeakPolarHBondContact CB-O 3.02Å; Y60-P64 WeakPolarHBondContact CD2-O 3.32Å; Y60-P70 HydrophobicContact CD1-CB 4.01Å; Y60-P70 HydrophobicContact CD1-CG 3.51Å; Y60-P70 HydrophobicContact CD2-CG 4.15Å; Y60-P70 HydrophobicContact CE1-CG 3.86Å; Y60-P70 HydrophobicContact CE2-CG 4.45Å; Y60-P70 HydrophobicContact CG-CB 4.14Å; Y60-P70 HydrophobicContact CG-CG 3.67Å; Y60-V72 HydrophobicContact CD1-CG2 4.4Å; Y60-V72 HydrophobicContact CE1-CG2 4.08Å; Y60-Y115 WeakPolarHBondContact O-CA 3.46Å; Y60-Y116 PolarHBondContact N-O 2.86Å; Y60-Y116 PolarHBondContact O-N 3.47Å; Y60-R118 HydrophobicContact CD2-CB 4.34Å; Y60-R118 HydrophobicContact CE2-CB 3.96Å; Y60-R118 HydrophobicContact CE2-CG 4.43Å
61F97.6Very high92.4Very high44 Ų4460.8 Ų60.819%0.19332%0.316CS..EExtended strand (participates in β ladder)trans-98.3140.7171.9-178.2-108.8000110.9Q63 P71 V73 Y85 H111 S112 Y115F61-Q63 PolarHBondContact O-N 2.88Å; F61-P71 HydrophobicContact CB-CB 4.28Å; F61-P71 HydrophobicContact CD1-CG 4.45Å; F61-P71 PolarHBondContact N-O 2.81Å; F61-P71 VanDerWaalsContact N-O 3.08Å; F61-V73 HydrophobicContact CB-CG2 3.74Å; F61-Y85 HydrophobicContact CB-CE2 4.41Å; F61-Y85 VanDerWaalsContact CD2-OH 3.25Å; F61-Y85 WeakPolarHBondContact CD2-OH 3.3Å; F61-Y85 WeakPolarHBondContact CG-OH 3.49Å; F61-H111 WeakPolarHBondContact CE2-O 3.46Å; F61-S112 WeakPolarHBondContact CZ-O 3.41Å; F61-Y115 HydrophobicContact CD2-CD2 4.37Å; F61-Y115 AromaticContact CD2-CE1 4Å; F61-Y115 HydrophobicContact CD2-CE1 4Å; F61-Y115 AromaticContact CD2-CE2 3.84Å; F61-Y115 HydrophobicContact CD2-CE2 3.84Å; F61-Y115 AromaticContact CD2-CZ 3.65Å; F61-Y115 AromaticContact CE2-CE2 3.97Å; F61-Y115 HydrophobicContact CE2-CE2 3.97Å
62G95.9Very high93Very high29 Ų2960.9 Ų60.930%0.29932%0.315SS..SBendtrans74.9-38.7171.200000116.1R114 Y116G62-R114 PolarHBondContact N-O 3.11Å; G62-Y116 WeakPolarHBondContact O-CE2 2.97Å
63Q93.4Very high93.9Very high94 Ų9456 Ų5644%0.43928%0.275SS..  trans-139.6137.8-179.2-64.4-67-35.300112.1Y60 F61 Y65 L68 P70Y60-Q63 VanDerWaalsContact CB-O 3.32Å; Y60-Q63 WeakPolarHBondContact CB-O 3.02Å; F61-Q63 PolarHBondContact O-N 2.88Å; Q63-Y65 PolarHBondContact O-N 3.29Å; Q63-L68 HydrophobicContact CB-CB 4.44Å; Q63-L68 HydrophobicContact CB-CD1 4.16Å; Q63-L68 HydrophobicContact CG-CD1 4.12Å; Q63-P70 HydrophobicContact CB-CB 4.18Å; Q63-P70 WeakPolarHBondContact O-CB 3.08Å; Q63-P70 WeakPolarHBondContact O-CG 3.5Å
64P93.1Very high94.6Very high10 Ų1047 Ų477%0.06524%0.242CC..SBendtrans-76.8-16.7-178.924.7-29.2000114.8Y60 Y116 S128Y60-P64 WeakPolarHBondContact CD2-O 3.32Å; P64-Y116 HydrophobicContact CB-CD1 3.53Å; P64-Y116 HydrophobicContact CB-CD2 4.46Å; P64-Y116 HydrophobicContact CB-CE1 4.11Å; P64-Y116 HydrophobicContact CB-CG 3.72Å; P64-Y116 HydrophobicContact CG-CD1 3.87Å; P64-Y116 HydrophobicContact CG-CE1 3.91Å; P64-Y116 HydrophobicContact CG-CG 4.32Å; P64-S128 WeakPolarHBondContact O-CB 3.26Å; P64-S128 PolarHBondContact O-OG 3.06Å
65Y92.6Very high94.9Very high104 Ų10449.9 Ų49.941%0.40825%0.247SC..  trans-108.1128-161.6-65.1-56.9000114Q63 Q67 L68 P70Q63-Y65 PolarHBondContact O-N 3.29Å; Y65-Q67 VanDerWaalsContact C-N 3.3Å; Y65-Q67 PolarHBondContact O-N 3.47Å; Y65-L68 PolarHBondContact O-N 3.17Å; Y65-L68 VanDerWaalsContact O-N 3.11Å; Y65-P70 WeakPolarHBondContact O-CD 3.32Å
66P91.2Very high95Very high48 Ų4850.7 Ų50.731%0.31225%0.253SS..G310 helixtrans-64.2-28-173.425.3-34.8000114.4L68 F69P66-L68 PolarHBondContact O-N 2.02Å; P66-F69 PolarHBondContact O-N 3.4Å; P66-F69 VanDerWaalsContact O-N 3.09Å
67Q92.3Very high94.7Very high126 Ų12655.5 Ų55.559%0.58928%0.28SS*.G310 helixtrans-70.2-8.9177.970.5-82.69.100114.2Y65Y65-Q67 VanDerWaalsContact C-N 3.3Å; Y65-Q67 PolarHBondContact O-N 3.47Å
68L92.6Very high94.4Very high94 Ų9457.6 Ų57.649%0.49229%0.293SS..G310 helixtrans-95.64.8172.7-56.3179.8000112.4Q63 Y65 P66Q63-L68 HydrophobicContact CB-CB 4.44Å; Q63-L68 HydrophobicContact CB-CD1 4.16Å; Q63-L68 HydrophobicContact CG-CD1 4.12Å; Y65-L68 PolarHBondContact O-N 3.17Å; Y65-L68 VanDerWaalsContact O-N 3.11Å; P66-L68 PolarHBondContact O-N 2.02Å
69F92.8Very high93.9Very high184 Ų18463.9 Ų63.981%0.80733%0.326SS*.  trans48.446.3-177.5-54-85.2000115.1P66P66-F69 PolarHBondContact O-N 3.4Å; P66-F69 VanDerWaalsContact O-N 3.09Å
70P95.1Very high93.6Very high13 Ų1369.3 Ų69.38%0.08436%0.359CS..PPolyproline II helixtrans-58147.3178.422.7-33.4000112.8Y60 Q63 Y65 V72Y60-P70 HydrophobicContact CD1-CB 4.01Å; Y60-P70 HydrophobicContact CD1-CG 3.51Å; Y60-P70 HydrophobicContact CD2-CG 4.15Å; Y60-P70 HydrophobicContact CE1-CG 3.86Å; Y60-P70 HydrophobicContact CE2-CG 4.45Å; Y60-P70 HydrophobicContact CG-CB 4.14Å; Y60-P70 HydrophobicContact CG-CG 3.67Å; Q63-P70 HydrophobicContact CB-CB 4.18Å; Q63-P70 WeakPolarHBondContact O-CB 3.08Å; Q63-P70 WeakPolarHBondContact O-CG 3.5Å; Y65-P70 WeakPolarHBondContact O-CD 3.32Å; P70-V72 PolarHBondContact O-N 2.95Å
71P96.6Very high93.5Very high43 Ų4369.7 Ų69.728%0.27936%0.363SS..PPolyproline II helixtrans-53.5124.2169.4-25.534.7000111.2F61 V73 H82F61-P71 HydrophobicContact CB-CB 4.28Å; F61-P71 HydrophobicContact CD1-CG 4.45Å; F61-P71 PolarHBondContact N-O 2.81Å; F61-P71 VanDerWaalsContact N-O 3.08Å; P71-V73 PolarHBondContact O-N 2.04Å; P71-H82 HydrophobicContact CB-CB 3.94Å
72V96.9Very high93.4Very high35 Ų3571.6 Ų71.621%0.21237%0.373CS..EExtended strand (participates in β ladder)trans-76.9116.1175179.10000108.2I58 Y60 P70 K75 V81 H82I58-V72 HydrophobicContact CG2-CG1 4.12Å; Y60-V72 HydrophobicContact CD1-CG2 4.4Å; Y60-V72 HydrophobicContact CE1-CG2 4.08Å; P70-V72 PolarHBondContact O-N 2.95Å; V72-K75 HydrophobicContact CG1-CB 3.93Å; V72-V81 HydrophobicContact CG1-CG1 4.3Å; V72-H82 WeakPolarHBondContact O-CB 3.45Å; V72-H82 PolarHBondContact O-N 2.78Å
73V97.3Very high93.4Very high0 Ų077.9 Ų77.90%040%0.395CS..EExtended strand (participates in β ladder)trans-80.7-53.2177176.70000109.2W59 F61 P71 V81 Y85 T89 L102 I104 Y115W59-V73 HydrophobicContact CB-CB 3.86Å; W59-V73 HydrophobicContact CB-CG1 4.25Å; W59-V73 PolarHBondContact O-N 2.87Å; F61-V73 HydrophobicContact CB-CG2 3.74Å; P71-V73 PolarHBondContact O-N 2.04Å; V73-V81 WeakPolarHBondContact O-CG1 3.3Å; V73-Y85 HydrophobicContact CB-CD1 4.36Å; V73-Y85 HydrophobicContact CB-CE1 4.4Å; V73-Y85 HydrophobicContact CB-CG 4.44Å; V73-Y85 HydrophobicContact CG1-CD1 3.76Å; V73-Y85 HydrophobicContact CG1-CE1 3.85Å; V73-Y85 HydrophobicContact CG1-CG 4.27Å; V73-Y85 HydrophobicContact CG2-CD1 4.43Å; V73-Y85 HydrophobicContact CG2-CD2 4.29Å; V73-Y85 HydrophobicContact CG2-CE1 4.04Å; V73-Y85 HydrophobicContact CG2-CE2 3.93Å; V73-T89 HydrophobicContact CG1-CG2 3.76Å; V73-T89 WeakPolarHBondContact O-CG2 3.39Å; V73-T89 PolarHBondContact O-OG1 2.8Å; V73-T89 VanDerWaalsContact O-OG1 3.13Å; V73-L102 HydrophobicContact CG1-CD2 3.78Å; V73-I104 HydrophobicContact CG1-CD1 4.22Å; V73-Y115 HydrophobicContact CB-CE1 4.39Å; V73-Y115 HydrophobicContact CG1-CD1 4.15Å; V73-Y115 HydrophobicContact CG1-CE1 3.85Å; V73-Y115 HydrophobicContact CG2-CD1 3.87Å; V73-Y115 HydrophobicContact CG2-CE1 3.65Å
74F97.3Very high93.4Very high35 Ų3575.6 Ų75.615%0.15439%0.389CS..EExtended strand (participates in β ladder)trans-143.2152.1176.8170.4-91.6000109.9I58 W59 L91 L102I58-F74 WeakPolarHBondContact CA-O 3.42Å; I58-F74 WeakPolarHBondContact CG2-O 3.09Å; W59-F74 HydrophobicContact CB-CB 4.25Å; W59-F74 PolarHBondContact N-O 2.83Å; F74-L91 HydrophobicContact CD1-CB 4.38Å; F74-L91 HydrophobicContact CD1-CD1 4.35Å; F74-L91 HydrophobicContact CD2-CB 4.5Å; F74-L91 HydrophobicContact CE1-CB 3.83Å; F74-L91 HydrophobicContact CE1-CD1 4.17Å; F74-L91 HydrophobicContact CE1-CD2 4.01Å; F74-L91 HydrophobicContact CE1-CG 4.24Å; F74-L91 HydrophobicContact CE2-CB 3.95Å; F74-L91 HydrophobicContact CZ-CB 3.59Å; F74-L91 HydrophobicContact CZ-CD2 4.22Å; F74-L91 HydrophobicContact CZ-CG 4.41Å; F74-L102 HydrophobicContact CB-CD1 3.86Å; F74-L102 HydrophobicContact CG-CD1 4.21Å
75K95.2Very high93.5Very high87 Ų8775.3 Ų75.338%0.37839%0.386SS..EExtended strand (participates in β ladder)trans-149.4132.7175.5-175.3172.9171-169.90111.6G57 I58 V72 T78G57-K75 WeakPolarHBondContact O-CA 3.34Å; I58-K75 HydrophobicContact CG1-CG 4.24Å; I58-K75 HydrophobicContact CG2-CB 4.36Å; I58-K75 HydrophobicContact CG2-CG 4.43Å; V72-K75 HydrophobicContact CG1-CB 3.93Å; K75-T78 HydrophobicContact CB-CG2 4.08Å; K75-T78 HydrophobicContact CD-CG2 3.63Å; K75-T78 HydrophobicContact CG-CG2 3.8Å; K75-T78 VanDerWaalsContact O-O 3.1Å
76S93.3Very high93.6Very high23 Ų2377.5 Ų77.516%0.16140%0.398CS..THydrogen-bonded Turntrans-60.3144175.2-58.30000112.5G57 T78 L95G57-S76 PolarHBondContact N-OG 2.88Å; G57-S76 PolarHBondContact O-N 2.83Å; G57-S76 PolarHBondContact O-OG 2.9Å; S76-T78 PolarHBondContact O-N 2.86Å; S76-L95 VanDerWaalsContact OG-CD1 3.3Å; S76-L95 WeakPolarHBondContact OG-CD1 3.49Å
77L88.3Confident93.6Very high152 Ų15279.3 Ų79.380%0.79643%0.425SS*.THydrogen-bonded Turntrans63.613.5176.3-49.4-179.8000115.9
78T89Confident93.7Very high46 Ų4676.9 Ų76.928%0.28241%0.411SS..  trans-158.2134.8173.4-174.10000113.2K75 S76 V80K75-T78 HydrophobicContact CB-CG2 4.08Å; K75-T78 HydrophobicContact CD-CG2 3.63Å; K75-T78 HydrophobicContact CG-CG2 3.8Å; K75-T78 VanDerWaalsContact O-O 3.1Å; S76-T78 PolarHBondContact O-N 2.86Å; T78-V80 PolarHBondContact O-N 2.88Å; T78-V80 PolarHBondContact OG1-N 2.88Å
79D86.8Confident93.9Very high156 Ų15673.6 Ų73.683%0.83440%0.395SS*.  trans-82.15.7175.3-42.6-73.3000112.9V81D79-V81 PolarHBondContact O-N 2.93Å; D79-V81 VanDerWaalsContact O-N 3.08Å
80V90.6Very high94Very high114 Ų11470.9 Ų70.969%0.69138%0.382SS*.  trans-8286.3177.7-175.60000109.6T78T78-V80 PolarHBondContact O-N 2.88Å; T78-V80 PolarHBondContact OG1-N 2.88Å
81V95.5Very high94Very high26 Ų2672.1 Ų72.116%0.15839%0.388CS..  trans-108.5173.9174-610000110.9V72 V73 D79 K86V72-V81 HydrophobicContact CG1-CG1 4.3Å; V73-V81 WeakPolarHBondContact O-CG1 3.3Å; D79-V81 PolarHBondContact O-N 2.93Å; D79-V81 VanDerWaalsContact O-N 3.08Å; V81-K86 HydrophobicContact CG2-CB 4.24Å
82H96.4Very high93.9Very high85 Ų8573.9 Ų73.939%0.39440%0.395SS..  trans-64.9147.3173.4-177.9-93.4000111.1P71 V72 S84 Y85 K86P71-H82 HydrophobicContact CB-CB 3.94Å; V72-H82 WeakPolarHBondContact O-CB 3.45Å; V72-H82 PolarHBondContact O-N 2.78Å; H82-S84 VanDerWaalsContact C-N 3.34Å; H82-S84 PolarHBondContact CE1-OG 3.24Å; H82-S84 VanDerWaalsContact CE1-OG 3.31Å; H82-S84 PolarHBondContact ND1-OG 2.86Å; H82-S84 PolarHBondContact O-N 2.81Å; H82-Y85 HydrophobicContact CB-CD2 4.22Å; H82-Y85 PolarHBondContact O-N 3.35Å; H82-K86 PolarHBondContact O-N 2.86Å
83E94.6Very high93.6Very high161 Ų16172.6 Ų72.675%0.75239%0.389SS*.G310 helixtrans-56.6-41.9-166-173.6156.6-146.100113.8Y85 K86E83-Y85 PolarHBondContact O-N 2.88Å; E83-K86 VanDerWaalsContact O-CB 3.28Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.02Å; E83-K86 VanDerWaalsContact O-N 3.16Å
84S93.8Very high93.5Very high45 Ų4575.4 Ų75.432%0.31540%0.404SS..G310 helixtrans-52.6-39175.3-380000113.4H82 R88H82-S84 VanDerWaalsContact C-N 3.34Å; H82-S84 PolarHBondContact CE1-OG 3.24Å; H82-S84 VanDerWaalsContact CE1-OG 3.31Å; H82-S84 PolarHBondContact ND1-OG 2.86Å; H82-S84 PolarHBondContact O-N 2.81Å; S84-R88 VanDerWaalsContact O-CD 3.32Å; S84-R88 WeakPolarHBondContact O-CD 3.46Å; S84-R88 PolarHBondContact O-NE 3.24Å
85Y95.8Very high93.3Very high4 Ų474.1 Ų74.12%0.01640%0.398CS..G310 helixtrans-91-7.3-174.1-65.7-77.8000113.8F61 V73 H82 E83 G87 R88 T89 I104 H111 Y115F61-Y85 HydrophobicContact CB-CE2 4.41Å; F61-Y85 VanDerWaalsContact CD2-OH 3.25Å; F61-Y85 WeakPolarHBondContact CD2-OH 3.3Å; F61-Y85 WeakPolarHBondContact CG-OH 3.49Å; V73-Y85 HydrophobicContact CB-CD1 4.36Å; V73-Y85 HydrophobicContact CB-CE1 4.4Å; V73-Y85 HydrophobicContact CB-CG 4.44Å; V73-Y85 HydrophobicContact CG1-CD1 3.76Å; V73-Y85 HydrophobicContact CG1-CE1 3.85Å; V73-Y85 HydrophobicContact CG1-CG 4.27Å; V73-Y85 HydrophobicContact CG2-CD1 4.43Å; V73-Y85 HydrophobicContact CG2-CD2 4.29Å; V73-Y85 HydrophobicContact CG2-CE1 4.04Å; V73-Y85 HydrophobicContact CG2-CE2 3.93Å; H82-Y85 HydrophobicContact CB-CD2 4.22Å; H82-Y85 PolarHBondContact O-N 3.35Å; E83-Y85 PolarHBondContact O-N 2.88Å; Y85-G87 PolarHBondContact O-N 3.41Å; Y85-G87 VanDerWaalsContact O-N 3.11Å; Y85-R88 WeakPolarHBondContact O-CB 3.38Å; Y85-R88 PolarHBondContact O-N 2.99Å; Y85-T89 HydrophobicContact CD1-CG2 3.7Å; Y85-T89 HydrophobicContact CG-CG2 4.21Å; Y85-I104 HydrophobicContact CD1-CG2 4.39Å; Y85-I104 HydrophobicContact CE1-CD1 4.49Å; Y85-H111 AromaticContact CE1-CD2 3.51Å; Y85-H111 AromaticContact CZ-CD2 3.75Å; Y85-Y115 AromaticContact CE1-CE1 3.9Å; Y85-Y115 HydrophobicContact CE1-CE1 3.9Å; Y85-Y115 WeakPolarHBondContact CE1-OH 3.3Å; Y85-Y115 PolarHBondContact OH-OH 2.95Å
86K94.1Very high93.1Very high151 Ų15174.2 Ų74.266%0.65740%0.403SS*.THydrogen-bonded Turntrans-62.1113.8-173-173.8-179.2176.9-175.40111.4V81 H82 E83 R88V81-K86 HydrophobicContact CG2-CB 4.24Å; H82-K86 PolarHBondContact O-N 2.86Å; E83-K86 VanDerWaalsContact O-CB 3.28Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.02Å; E83-K86 VanDerWaalsContact O-N 3.16Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 2.94Å
87G92.1Very high93.1Very high85 Ų8580.3 Ų80.388%0.87643%0.429SS*.THydrogen-bonded Turntrans78.90-176.700000115.1Y85Y85-G87 PolarHBondContact O-N 3.41Å; Y85-G87 VanDerWaalsContact O-N 3.11Å
88R94.3Very high93.4Very high76 Ų7676.4 Ų76.429%0.28740%0.403SS..THydrogen-bonded Turntrans-92.8-31.2176.7-62.2-164.9-155.9-118.22.2113.2S84 Y85 K86 G105 N106S84-R88 VanDerWaalsContact O-CD 3.32Å; S84-R88 WeakPolarHBondContact O-CD 3.46Å; S84-R88 PolarHBondContact O-NE 3.24Å; Y85-R88 WeakPolarHBondContact O-CB 3.38Å; Y85-R88 PolarHBondContact O-N 2.99Å; K86-R88 VanDerWaalsContact C-N 3.26Å; K86-R88 PolarHBondContact O-N 2.94Å; R88-G105 VanDerWaalsContact CB-O 3.29Å; R88-G105 WeakPolarHBondContact CB-O 3.39Å; R88-G105 WeakPolarHBondContact CD-O 3.39Å; R88-G105 WeakPolarHBondContact CG-O 3.26Å; R88-G105 PolarHBondContact O-N 2.86Å; R88-N106 WeakPolarHBondContact CD-O 3.31Å; R88-N106 VanDerWaalsContact NH1-CG 3.33Å; R88-N106 PolarHBondContact NH1-O 2.99Å; R88-N106 PolarHBondContact NH1-OD1 2.96Å
89T96.1Very high93.7Very high25 Ų2577.2 Ų77.215%0.15341%0.406CS..EExtended strand (participates in β ladder)trans-100.5136.5-168.457.30000113.6V73 Y85 L103 I104V73-T89 HydrophobicContact CG1-CG2 3.76Å; V73-T89 WeakPolarHBondContact O-CG2 3.39Å; V73-T89 PolarHBondContact O-OG1 2.8Å; V73-T89 VanDerWaalsContact O-OG1 3.13Å; Y85-T89 HydrophobicContact CD1-CG2 3.7Å; Y85-T89 HydrophobicContact CG-CG2 4.21Å; T89-L103 CarbonylContact C-O 3.6Å; T89-L103 WeakPolarHBondContact CA-O 3.23Å; T89-I104 HydrophobicContact CG2-CG1 4.32Å; T89-I104 HydrophobicContact CG2-CG2 4.16Å
90K94.5Very high94.1Very high127 Ų12769.8 Ų69.855%0.55237%0.366SS*.EExtended strand (participates in β ladder)trans-141.4126.8176.2178.9-173.9174.9-169.20110.3L92 L103K90-L92 HydrophobicContact CD-CD2 4.03Å; K90-L92 HydrophobicContact CG-CD2 4.2Å; K90-L92 PolarHBondContact O-N 2.84Å; K90-L103 HydrophobicContact CB-CB 4.35Å; K90-L103 HydrophobicContact CB-CD2 4.39Å; K90-L103 HydrophobicContact CD-CD2 4.39Å; K90-L103 PolarHBondContact N-O 2.85Å; K90-L103 WeakPolarHBondContact O-CB 3.37Å; K90-L103 PolarHBondContact O-N 2.85Å
91L95.7Very high94.4Very high38 Ų3865.4 Ų65.420%0.19934%0.34CS..EExtended strand (participates in β ladder)trans-72.5128.7169.7-16677.9000109.4F74 G93 L95 C100 T101F74-L91 HydrophobicContact CD1-CB 4.38Å; F74-L91 HydrophobicContact CD1-CD1 4.35Å; F74-L91 HydrophobicContact CD2-CB 4.5Å; F74-L91 HydrophobicContact CE1-CB 3.83Å; F74-L91 HydrophobicContact CE1-CD1 4.17Å; F74-L91 HydrophobicContact CE1-CD2 4.01Å; F74-L91 HydrophobicContact CE1-CG 4.24Å; F74-L91 HydrophobicContact CE2-CB 3.95Å; F74-L91 HydrophobicContact CZ-CB 3.59Å; F74-L91 HydrophobicContact CZ-CD2 4.22Å; F74-L91 HydrophobicContact CZ-CG 4.41Å; L91-G93 VanDerWaalsContact CD2-O 3.23Å; L91-G93 WeakPolarHBondContact CD2-O 3.11Å; L91-G93 WeakPolarHBondContact CG-O 3.25Å; L91-L95 HydrophobicContact CD1-CD2 4.44Å; L91-L95 HydrophobicContact CD2-CD1 4.14Å; L91-L95 HydrophobicContact CD2-CD2 3.8Å; L91-L95 HydrophobicContact CD2-CG 3.73Å; L91-C100 VanDerWaalsContact CD1-O 3.29Å; L91-C100 WeakPolarHBondContact CD1-O 3.33Å; L91-T101 WeakPolarHBondContact CD1-O 3.37Å
92L94.9Very high94.5Very high81 Ų8164.2 Ų64.242%0.42433%0.332SS..  trans-98.4-30.6175.6-57.2-174.3000112V38 K90 T101 L103V38-L92 HydrophobicContact CG1-CD1 4.19Å; V38-L92 HydrophobicContact CG2-CD1 3.93Å; K90-L92 HydrophobicContact CD-CD2 4.03Å; K90-L92 HydrophobicContact CG-CD2 4.2Å; K90-L92 PolarHBondContact O-N 2.84Å; L92-T101 HydrophobicContact CB-CG2 4.31Å; L92-T101 HydrophobicContact CD1-CG2 4.49Å; L92-T101 PolarHBondContact N-O 2.96Å; L92-L103 HydrophobicContact CD1-CB 4.03Å; L92-L103 HydrophobicContact CD2-CB 4.09Å; L92-L103 HydrophobicContact CD2-CD2 4.43Å; L92-L103 HydrophobicContact CG-CB 3.95Å
93G90.1Very high94.5Very high8 Ų861.2 Ų61.28%0.08232%0.319CS..SBendtrans-81148.5179.700000114.7L91 N99 T101L91-G93 VanDerWaalsContact CD2-O 3.23Å; L91-G93 WeakPolarHBondContact CD2-O 3.11Å; L91-G93 WeakPolarHBondContact CG-O 3.25Å; G93-N99 CarbonylContact C-O 3.57Å; G93-N99 VanDerWaalsContact C-O 3.29Å; G93-N99 VanDerWaalsContact CA-CG 3.45Å; G93-N99 WeakPolarHBondContact CA-O 3.47Å; G93-N99 WeakPolarHBondContact CA-OD1 3.11Å; G93-T101 PolarHBondContact N-O 2.84Å
94D94.1Very high94.6Very high59 Ų5953.5 Ų53.532%0.31628%0.283SS..  trans-84.2114.7164.217710.5000110.5N96 Q97 R98 N99D94-N96 PolarHBondContact O-N 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.43Å; D94-N96 PolarHBondContact OD1-N 2.8Å; D94-N96 PolarHBondContact OD1-ND2 3.15Å; D94-Q97 HydrophobicContact CB-CB 4.15Å; D94-Q97 HydrophobicContact CB-CG 4.27Å; D94-Q97 CarbonylContact O-C 3.56Å; D94-Q97 WeakPolarHBondContact O-CA 3.27Å; D94-Q97 WeakPolarHBondContact O-CB 3.41Å; D94-Q97 PolarHBondContact O-N 2.9Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.45Å; D94-Q97 PolarHBondContact OD2-NE2 2.88Å; D94-R98 PolarHBondContact O-N 3.15Å; D94-N99 CarbonylContact C-O 3.54Å; D94-N99 VanDerWaalsContact C-O 3.26Å; D94-N99 PolarHBondContact O-N 2.87Å; D94-N99 VanDerWaalsContact O-N 3.1Å
95L94.4Very high94.7Very high8 Ų852.3 Ų52.34%0.04228%0.278CS..G310 helixtrans-61.1-27.3178.8-58.9-178.8000113.4F43 V55 G57 S76 L91 Q97 R98 N99 C100 F117F43-L95 HydrophobicContact CE1-CB 4.4Å; F43-L95 HydrophobicContact CE1-CD2 3.88Å; F43-L95 HydrophobicContact CZ-CB 4.19Å; F43-L95 HydrophobicContact CZ-CD2 4.28Å; F43-L95 VanDerWaalsContact CZ-O 3.28Å; F43-L95 WeakPolarHBondContact CZ-O 3.45Å; V55-L95 HydrophobicContact CB-CB 3.96Å; V55-L95 HydrophobicContact CG1-CB 4.02Å; G57-L95 VanDerWaalsContact N-CD1 3.3Å; S76-L95 VanDerWaalsContact OG-CD1 3.3Å; S76-L95 WeakPolarHBondContact OG-CD1 3.49Å; L91-L95 HydrophobicContact CD1-CD2 4.44Å; L91-L95 HydrophobicContact CD2-CD1 4.14Å; L91-L95 HydrophobicContact CD2-CD2 3.8Å; L91-L95 HydrophobicContact CD2-CG 3.73Å; L95-Q97 VanDerWaalsContact C-N 3.31Å; L95-R98 PolarHBondContact O-N 2.8Å; L95-R98 VanDerWaalsContact O-N 3.14Å; L95-N99 PolarHBondContact N-O 2.92Å; L95-C100 HydrophobicContact CD2-CB 4.12Å; L95-F117 HydrophobicContact CD2-CE2 4.37Å; L95-F117 HydrophobicContact CD2-CZ 3.89Å
96N91.4Very high94.7Very high88 Ų8855.9 Ų55.947%0.47130%0.298SS..G310 helixtrans-72.5-31.1176.9-52.9-77.2000110.8G54 V55 D94 R98G54-N96 WeakPolarHBondContact CA-OD1 3.34Å; V55-N96 PolarHBondContact N-OD1 2.9Å; D94-N96 PolarHBondContact O-N 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.43Å; D94-N96 PolarHBondContact OD1-N 2.8Å; D94-N96 PolarHBondContact OD1-ND2 3.15Å; N96-R98 PolarHBondContact O-N 2.9Å
97Q93Very high94.8Very high151 Ų15148.7 Ų48.771%0.70627%0.266SS*.G310 helixtrans-85.415.2169.5-65.5174.167.600112.8D94 L95 N99D94-Q97 HydrophobicContact CB-CB 4.15Å; D94-Q97 HydrophobicContact CB-CG 4.27Å; D94-Q97 CarbonylContact O-C 3.56Å; D94-Q97 WeakPolarHBondContact O-CA 3.27Å; D94-Q97 WeakPolarHBondContact O-CB 3.41Å; D94-Q97 PolarHBondContact O-N 2.9Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.45Å; D94-Q97 PolarHBondContact OD2-NE2 2.88Å; L95-Q97 VanDerWaalsContact C-N 3.31Å; Q97-N99 PolarHBondContact O-N 3.41Å; Q97-N99 VanDerWaalsContact O-N 3.15Å
98R93.4Very high94.9Very high70 Ų7045.2 Ų45.226%0.26423%0.23SC..THydrogen-bonded Turntrans6411178-67.7176.6-178.2-172.8-3.2115.6S42 F43 Y45 D94 L95 N96S42-R98 WeakPolarHBondContact CA-O 3.46Å; F43-R98 WeakPolarHBondContact CD1-O 3.37Å; F43-R98 WeakPolarHBondContact CE1-O 3.45Å; F43-R98 PolarHBondContact N-O 2.9Å; F43-R98 VanDerWaalsContact O-CB 3.22Å; F43-R98 WeakPolarHBondContact O-CB 3.44Å; F43-R98 WeakPolarHBondContact O-CD 3.36Å; F43-R98 VanDerWaalsContact O-CG 3.3Å; F43-R98 WeakPolarHBondContact O-CG 3.35Å; Y45-R98 HydrophobicContact CE1-CG 4.21Å; D94-R98 PolarHBondContact O-N 3.15Å; L95-R98 PolarHBondContact O-N 2.8Å; L95-R98 VanDerWaalsContact O-N 3.14Å; N96-R98 PolarHBondContact O-N 2.9Å
99N95.8Very high95Very high64 Ų6445.1 Ų45.134%0.34224%0.238SC..BIsolated β-bridgetrans-93.1118.9177.3-174.1-19.9000109.4C41 G93 D94 L95 Q97 T101C41-N99 PolarHBondContact O-OD1 2.9Å; G93-N99 CarbonylContact C-O 3.57Å; G93-N99 VanDerWaalsContact C-O 3.29Å; G93-N99 VanDerWaalsContact CA-CG 3.45Å; G93-N99 WeakPolarHBondContact CA-O 3.47Å; G93-N99 WeakPolarHBondContact CA-OD1 3.11Å; D94-N99 CarbonylContact C-O 3.54Å; D94-N99 VanDerWaalsContact C-O 3.26Å; D94-N99 PolarHBondContact O-N 2.87Å; D94-N99 VanDerWaalsContact O-N 3.1Å; L95-N99 PolarHBondContact N-O 2.92Å; Q97-N99 PolarHBondContact O-N 3.41Å; Q97-N99 VanDerWaalsContact O-N 3.15Å; N99-T101 WeakPolarHBondContact OD1-CB 3.34Å; N99-T101 PolarHBondContact OD1-N 2.84Å; N99-T101 PolarHBondContact OD1-OG1 2.79Å
100C96.4Very high94.9Very high0 Ų049.3 Ų49.30%026%0.256CS..  trans-10810-179.341.80000113.6C41 S42 F43 W59 L91 L95 L102 F117C41-C100 HydrophobicContact CB-CB 3.88Å; C41-C100 WeakPolarHBondContact CB-SG 3.5Å; C41-C100 PolarHBondContact O-N 3.33Å; C41-C100 PolarHBondContact O-SG 2.85Å; C41-C100 VanDerWaalsContact O-SG 3.36Å; C41-C100 WeakPolarHBondContact SG-CB 3.48Å; C41-C100 CovalentContact SG-SG 2.02Å; C41-C100 PolarHBondContact SG-SG 2.66Å; S42-C100 PolarHBondContact N-SG 2.79Å; F43-C100 HydrophobicContact CD1-CB 3.73Å; F43-C100 VanDerWaalsContact CD1-SG 3.51Å; F43-C100 HydrophobicContact CE1-CB 4.02Å; W59-C100 WeakPolarHBondContact CZ2-O 3.38Å; W59-C100 PolarHBondContact NE1-O 2.8Å; W59-C100 VanDerWaalsContact NE1-O 3.09Å; L91-C100 VanDerWaalsContact CD1-O 3.29Å; L91-C100 WeakPolarHBondContact CD1-O 3.33Å; L95-C100 HydrophobicContact CD2-CB 4.12Å; C100-L102 PolarHBondContact O-N 2.99Å; C100-F117 HydrophobicContact CB-CD1 4.13Å; C100-F117 HydrophobicContact CB-CD2 4.12Å; C100-F117 HydrophobicContact CB-CE1 3.85Å; C100-F117 HydrophobicContact CB-CE2 3.84Å; C100-F117 HydrophobicContact CB-CG 4.27Å; C100-F117 HydrophobicContact CB-CZ 3.71Å
101T96.6Very high95Very high22 Ų2243.3 Ų43.314%0.13523%0.23CC..  trans-52.6128.9-173-61.80000112.5V38 I39 C41 L91 L92 G93 N99V38-T101 HydrophobicContact CG1-CG2 3.43Å; V38-T101 VanDerWaalsContact CG1-CG2 3.43Å; I39-T101 WeakPolarHBondContact O-CA 3.31Å; C41-T101 PolarHBondContact N-OG1 2.69Å; C41-T101 VanDerWaalsContact N-OG1 3.08Å; L91-T101 WeakPolarHBondContact CD1-O 3.37Å; L92-T101 HydrophobicContact CB-CG2 4.31Å; L92-T101 HydrophobicContact CD1-CG2 4.49Å; L92-T101 PolarHBondContact N-O 2.96Å; G93-T101 PolarHBondContact N-O 2.84Å; N99-T101 WeakPolarHBondContact OD1-CB 3.34Å; N99-T101 PolarHBondContact OD1-N 2.84Å; N99-T101 PolarHBondContact OD1-OG1 2.79Å
102L96.8Very high95.1Very high0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-119.5125.7-170.517870.4000110.9V38 I39 W59 V73 F74 C100 I104V38-L102 CarbonylContact C-O 3.34Å; V38-L102 WeakPolarHBondContact CA-O 3.4Å; I39-L102 PolarHBondContact N-O 3.37Å; I39-L102 PolarHBondContact O-N 2.85Å; W59-L102 HydrophobicContact CB-CD2 4.23Å; W59-L102 HydrophobicContact CD2-CD2 3.86Å; W59-L102 HydrophobicContact CE3-CD2 4.4Å; W59-L102 HydrophobicContact CG-CD2 3.81Å; W59-L102 HydrophobicContact CZ2-CB 3.93Å; V73-L102 HydrophobicContact CG1-CD2 3.78Å; F74-L102 HydrophobicContact CB-CD1 3.86Å; F74-L102 HydrophobicContact CG-CD1 4.21Å; C100-L102 PolarHBondContact O-N 2.99Å; L102-I104 HydrophobicContact CD2-CD1 3.95Å; L102-I104 HydrophobicContact CD2-CG1 3.88Å; L102-I104 HydrophobicContact CG-CG1 4.02Å
103L96.8Very high95.2Very high22 Ų2240.7 Ų40.712%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-87.7133.7163.5178.670.2000109.5C36 V37 V38 T89 K90 L92C36-L103 HydrophobicContact CB-CD1 3.94Å; V37-L103 CarbonylContact O-C 3.58Å; V37-L103 WeakPolarHBondContact O-CA 3.22Å; V38-L103 HydrophobicContact CG2-CB 4.44Å; V38-L103 HydrophobicContact CG2-CD1 3.62Å; T89-L103 CarbonylContact C-O 3.6Å; T89-L103 WeakPolarHBondContact CA-O 3.23Å; K90-L103 HydrophobicContact CB-CB 4.35Å; K90-L103 HydrophobicContact CB-CD2 4.39Å; K90-L103 HydrophobicContact CD-CD2 4.39Å; K90-L103 PolarHBondContact N-O 2.85Å; K90-L103 WeakPolarHBondContact O-CB 3.37Å; K90-L103 PolarHBondContact O-N 2.85Å; L92-L103 HydrophobicContact CD1-CB 4.03Å; L92-L103 HydrophobicContact CD2-CB 4.09Å; L92-L103 HydrophobicContact CD2-CD2 4.43Å; L92-L103 HydrophobicContact CG-CB 3.95Å
104I97.3Very high95.6Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-122.9109.9165.7-44.4-179.1000107.2C36 V37 I39 V73 Y85 T89 L102 V107 Y115C36-I104 CarbonylContact C-O 3.55Å; C36-I104 VanDerWaalsContact CA-O 3.29Å; C36-I104 WeakPolarHBondContact CA-O 3.34Å; V37-I104 HydrophobicContact CG1-CB 3.98Å; V37-I104 HydrophobicContact CG1-CD1 4.49Å; V37-I104 HydrophobicContact CG1-CG1 4.35Å; V37-I104 PolarHBondContact N-O 2.93Å; V37-I104 PolarHBondContact O-N 2.94Å; I39-I104 HydrophobicContact CD1-CD1 4.18Å; V73-I104 HydrophobicContact CG1-CD1 4.22Å; Y85-I104 HydrophobicContact CD1-CG2 4.39Å; Y85-I104 HydrophobicContact CE1-CD1 4.49Å; T89-I104 HydrophobicContact CG2-CG1 4.32Å; T89-I104 HydrophobicContact CG2-CG2 4.16Å; L102-I104 HydrophobicContact CD2-CD1 3.95Å; L102-I104 HydrophobicContact CD2-CG1 3.88Å; L102-I104 HydrophobicContact CG-CG1 4.02Å; I104-V107 HydrophobicContact CB-CG1 4.02Å; I104-V107 HydrophobicContact CG2-CG1 3.67Å; I104-Y115 HydrophobicContact CD1-CD1 4.15Å; I104-Y115 HydrophobicContact CD1-CE1 3.54Å
105G95.6Very high95.7Very high20 Ų2042 Ų4221%0.20622%0.222CC..EExtended strand (participates in β ladder)trans-93150.2178.700000112.9R88R88-G105 VanDerWaalsContact CB-O 3.29Å; R88-G105 WeakPolarHBondContact CB-O 3.39Å; R88-G105 WeakPolarHBondContact CD-O 3.39Å; R88-G105 WeakPolarHBondContact CG-O 3.26Å; R88-G105 PolarHBondContact O-N 2.86Å
106N94.7Very high95.9Very high79 Ų7942.6 Ų42.642%0.42222%0.224SC..SBendtrans54.463.5-177.8-171.8-7.6000111.5N34 S35 R88N34-N106 PolarHBondContact OD1-OD1 3.15Å; S35-N106 CarbonylContact O-C 3.58Å; S35-N106 WeakPolarHBondContact O-CA 3.41Å; S35-N106 PolarHBondContact O-N 3.17Å; R88-N106 WeakPolarHBondContact CD-O 3.31Å; R88-N106 VanDerWaalsContact NH1-CG 3.33Å; R88-N106 PolarHBondContact NH1-O 2.99Å; R88-N106 PolarHBondContact NH1-OD1 2.96Å
107V96.1Very high96.2Very high0 Ų038.4 Ų38.40%020%0.202CC..  trans-81.3123.2179.5-710000111.5A31 T33 N34 S35 V37 I104 V137A31-V107 HydrophobicContact CB-CG2 4.08Å; T33-V107 CarbonylContact C-O 3.55Å; T33-V107 VanDerWaalsContact CA-O 3.22Å; T33-V107 WeakPolarHBondContact CA-O 3.48Å; N34-V107 PolarHBondContact N-O 2.87Å; S35-V107 PolarHBondContact O-N 2.76Å; V37-V107 HydrophobicContact CG1-CG1 4.11Å; I104-V107 HydrophobicContact CB-CG1 4.02Å; I104-V107 HydrophobicContact CG2-CG1 3.67Å; V107-V137 HydrophobicContact CB-CG1 4.23Å; V107-V137 HydrophobicContact CB-CG2 4.03Å; V107-V137 HydrophobicContact CG2-CG1 3.87Å; V107-V137 HydrophobicContact CG2-CG2 4.14Å
108G95.9Very high96.4Very high11 Ų1133.1 Ų33.111%0.11318%0.175CC..  trans-93166.8166.400000112.2E110 H111G108-E110 WeakPolarHBondContact CA-OE2 3.42Å; G108-E110 PolarHBondContact O-N 3.38Å; G108-E110 VanDerWaalsContact O-N 3.15Å; G108-H111 PolarHBondContact N-ND1 2.99Å; G108-H111 WeakPolarHBondContact O-CB 3.14Å; G108-H111 PolarHBondContact O-N 3.2Å; G108-H111 PolarHBondContact O-ND1 3.04Å; G108-H111 VanDerWaalsContact O-ND1 3.1Å
109T94.9Very high96.4Very high74 Ų7429.8 Ų29.845%0.45416%0.163SC..G310 helixtrans-58.9-27.5-178520000113.5T33 H111 S112 D139T33-T109 HydrophobicContact CG2-CG2 3.54Å; T109-H111 PolarHBondContact O-N 2.87Å; T109-H111 VanDerWaalsContact O-N 3.14Å; T109-S112 VanDerWaalsContact O-CB 3.3Å; T109-S112 WeakPolarHBondContact O-CB 3.32Å; T109-S112 PolarHBondContact O-N 2.92Å; T109-S112 PolarHBondContact O-OG 3.07Å; T109-D139 HydrophobicContact CG2-CB 4.42Å
110E93.6Very high96.3Very high113 Ų11328.2 Ų28.253%0.52815%0.154SC..G310 helixtrans-64-11.3174.876.2-78.2-170.500114.5G108G108-E110 WeakPolarHBondContact CA-OE2 3.42Å; G108-E110 PolarHBondContact O-N 3.38Å; G108-E110 VanDerWaalsContact O-N 3.15Å
111H96.8Very high96Very high1 Ų128.3 Ų28.31%0.00516%0.155CC..G310 helixtrans-90.9-3.5173.7-5787.6000112.6F61 Y85 G108 T109 G113 Y115 V137F61-H111 WeakPolarHBondContact CE2-O 3.46Å; Y85-H111 AromaticContact CE1-CD2 3.51Å; Y85-H111 AromaticContact CZ-CD2 3.75Å; G108-H111 PolarHBondContact N-ND1 2.99Å; G108-H111 WeakPolarHBondContact O-CB 3.14Å; G108-H111 PolarHBondContact O-N 3.2Å; G108-H111 PolarHBondContact O-ND1 3.04Å; G108-H111 VanDerWaalsContact O-ND1 3.1Å; T109-H111 PolarHBondContact O-N 2.87Å; T109-H111 VanDerWaalsContact O-N 3.14Å; H111-G113 PolarHBondContact O-N 3.45Å; H111-Y115 WeakPolarHBondContact O-CE2 3.43Å; H111-Y115 PolarHBondContact O-OH 3.03Å; H111-V137 HydrophobicContact CB-CG2 4.42Å
112S97.6Very high95.4Very high46 Ų4628.8 Ų28.832%0.32216%0.164SC..  trans-67.5132.1176.2-52.80000111F61 T109 L135 V137F61-S112 WeakPolarHBondContact CZ-O 3.41Å; T109-S112 VanDerWaalsContact O-CB 3.3Å; T109-S112 WeakPolarHBondContact O-CB 3.32Å; T109-S112 PolarHBondContact O-N 2.92Å; T109-S112 PolarHBondContact O-OG 3.07Å; S112-L135 CarbonylContact C-O 3.51Å; S112-L135 VanDerWaalsContact CA-O 3.22Å; S112-L135 WeakPolarHBondContact CA-O 3.44Å; S112-V137 PolarHBondContact OG-N 3.01Å
113G97.4Very high94.6Very high18 Ų1832 Ų3219%0.18620%0.198CC..EExtended strand (participates in β ladder)trans144-166.2-177.900000113.5H111 Y115 L135H111-G113 PolarHBondContact O-N 3.45Å; G113-Y115 WeakPolarHBondContact O-CD2 3.46Å; G113-L135 PolarHBondContact N-O 3.5Å; G113-L135 PolarHBondContact O-N 3.44Å
114R98.1Very high93.9Very high94 Ų9435.6 Ų35.636%0.35523%0.231SC..EExtended strand (participates in β ladder)trans-92.4129.3-168.9-63.1178.3-175.1-176.2-6.1112.9G62 Y116 Y132 A133 E134G62-R114 PolarHBondContact N-O 3.11Å; R114-Y116 HydrophobicContact CB-CD2 4.41Å; R114-Y116 HydrophobicContact CB-CE2 3.58Å; R114-Y132 HydrophobicContact CB-CD2 3.98Å; R114-Y132 HydrophobicContact CB-CG 4.15Å; R114-Y132 HydrophobicContact CG-CD2 3.61Å; R114-Y132 HydrophobicContact CG-CE2 3.75Å; R114-Y132 HydrophobicContact CG-CG 4.16Å; R114-Y132 PolarHBondContact NH1-OH 3.25Å; R114-Y132 PolarHBondContact NH2-OH 3.48Å; R114-A133 WeakPolarHBondContact CA-O 3.43Å; R114-E134 HydrophobicContact CG-CB 4.3Å; R114-E134 HydrophobicContact CG-CG 4.01Å; R114-E134 IonicContact CZ-OE1 2.89Å; R114-E134 IonicContact CZ-OE2 2.84Å; R114-E134 IonicContact NE-OE1 2.66Å; R114-E134 PolarHBondContact NE-OE1 2.88Å; R114-E134 IonicContact NE-OE2 3.25Å; R114-E134 PolarHBondContact NE-OE2 2.81Å; R114-E134 IonicContact NH2-OE1 3.5Å; R114-E134 PolarHBondContact NH2-OE1 2.91Å; R114-E134 IonicContact NH2-OE2 3.52Å; R114-E134 PolarHBondContact NH2-OE2 3.27Å
115Y97.9Very high93.5Very high0 Ų038.9 Ų38.90%025%0.248CC..EExtended strand (participates in β ladder)trans-109.9120.4177.8-72.2-95000110.3I39 Y60 F61 V73 Y85 I104 H111 G113 Y132 A133 L135I39-Y115 HydrophobicContact CD1-CD1 4.38Å; I39-Y115 HydrophobicContact CD1-CD2 4.18Å; I39-Y115 HydrophobicContact CD1-CG 3.97Å; Y60-Y115 WeakPolarHBondContact O-CA 3.46Å; F61-Y115 HydrophobicContact CD2-CD2 4.37Å; F61-Y115 AromaticContact CD2-CE1 4Å; F61-Y115 HydrophobicContact CD2-CE1 4Å; F61-Y115 AromaticContact CD2-CE2 3.84Å; F61-Y115 HydrophobicContact CD2-CE2 3.84Å; F61-Y115 AromaticContact CD2-CZ 3.65Å; F61-Y115 AromaticContact CE2-CE2 3.97Å; F61-Y115 HydrophobicContact CE2-CE2 3.97Å; V73-Y115 HydrophobicContact CB-CE1 4.39Å; V73-Y115 HydrophobicContact CG1-CD1 4.15Å; V73-Y115 HydrophobicContact CG1-CE1 3.85Å; V73-Y115 HydrophobicContact CG2-CD1 3.87Å; V73-Y115 HydrophobicContact CG2-CE1 3.65Å; Y85-Y115 AromaticContact CE1-CE1 3.9Å; Y85-Y115 HydrophobicContact CE1-CE1 3.9Å; Y85-Y115 WeakPolarHBondContact CE1-OH 3.3Å; Y85-Y115 PolarHBondContact OH-OH 2.95Å; I104-Y115 HydrophobicContact CD1-CD1 4.15Å; I104-Y115 HydrophobicContact CD1-CE1 3.54Å; H111-Y115 WeakPolarHBondContact O-CE2 3.43Å; H111-Y115 PolarHBondContact O-OH 3.03Å; G113-Y115 WeakPolarHBondContact O-CD2 3.46Å; Y115-Y132 VanDerWaalsContact O-CA 3.27Å; Y115-Y132 WeakPolarHBondContact O-CA 3.4Å; Y115-Y132 WeakPolarHBondContact O-CB 3.48Å; Y115-A133 PolarHBondContact N-O 2.99Å; Y115-A133 PolarHBondContact O-N 2.79Å; Y115-A133 VanDerWaalsContact O-N 3.08Å; Y115-L135 HydrophobicContact CD2-CB 3.88Å; Y115-L135 HydrophobicContact CE2-CB 3.61Å; Y115-L135 HydrophobicContact CE2-CD2 3.69Å; Y115-L135 HydrophobicContact CE2-CG 4.29Å
116Y97.8Very high93.3Very high21 Ų2142.4 Ų42.48%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-114142-178.4-56.2-97000110.4W59 Y60 G62 P64 R114 P130 Y132W59-Y116 WeakPolarHBondContact CA-O 3.28Å; Y60-Y116 PolarHBondContact N-O 2.86Å; Y60-Y116 PolarHBondContact O-N 3.47Å; G62-Y116 WeakPolarHBondContact O-CE2 2.97Å; P64-Y116 HydrophobicContact CB-CD1 3.53Å; P64-Y116 HydrophobicContact CB-CD2 4.46Å; P64-Y116 HydrophobicContact CB-CE1 4.11Å; P64-Y116 HydrophobicContact CB-CG 3.72Å; P64-Y116 HydrophobicContact CG-CD1 3.87Å; P64-Y116 HydrophobicContact CG-CE1 3.91Å; P64-Y116 HydrophobicContact CG-CG 4.32Å; R114-Y116 HydrophobicContact CB-CD2 4.41Å; R114-Y116 HydrophobicContact CB-CE2 3.58Å; Y116-P130 WeakPolarHBondContact CE1-O 3.42Å; Y116-Y132 HydrophobicContact CD1-CD1 4.44Å; Y116-Y132 AromaticContact CE1-CD1 3.65Å; Y116-Y132 HydrophobicContact CE1-CD1 3.65Å; Y116-Y132 AromaticContact CE1-CG 3.99Å; Y116-Y132 HydrophobicContact CE1-CG 3.99Å
117F97.8Very high93.2Very high1 Ų142.6 Ų42.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-101.7145.4175-174.2-114.9000112I23 F43 I58 W59 L95 C100 A119 Y129I23-F117 HydrophobicContact CD1-CB 3.6Å; I23-F117 HydrophobicContact CD1-CD1 3.84Å; I23-F117 HydrophobicContact CD1-CG 4.13Å; F43-F117 HydrophobicContact CB-CD1 4.36Å; F43-F117 HydrophobicContact CB-CE1 4.27Å; F43-F117 HydrophobicContact CD1-CD1 4.48Å; F43-F117 AromaticContact CD1-CE1 3.74Å; F43-F117 HydrophobicContact CD1-CE1 3.74Å; F43-F117 HydrophobicContact CD1-CZ 4.36Å; F43-F117 HydrophobicContact CD2-CE1 4.06Å; F43-F117 AromaticContact CE1-CE1 3.97Å; F43-F117 HydrophobicContact CE1-CE1 3.97Å; F43-F117 HydrophobicContact CE1-CZ 4.21Å; F43-F117 HydrophobicContact CE2-CE1 4.28Å; F43-F117 HydrophobicContact CG-CD1 4.34Å; F43-F117 AromaticContact CG-CE1 3.77Å; F43-F117 HydrophobicContact CG-CE1 3.77Å; F43-F117 HydrophobicContact CZ-CE1 4.24Å; F43-F117 HydrophobicContact CZ-CZ 4.47Å; I58-F117 WeakPolarHBondContact O-CD2 3.44Å; W59-F117 AromaticContact CD1-CD2 3.82Å; W59-F117 HydrophobicContact CD2-CB 4.36Å; W59-F117 HydrophobicContact CD2-CD2 4.03Å; W59-F117 AromaticContact CE2-CD2 3.86Å; W59-F117 HydrophobicContact CE3-CB 4.33Å; W59-F117 HydrophobicContact CG-CD2 4.06Å; W59-F117 HydrophobicContact CZ3-CB 4.46Å; W59-F117 AromaticContact NE1-CD2 3.65Å; L95-F117 HydrophobicContact CD2-CE2 4.37Å; L95-F117 HydrophobicContact CD2-CZ 3.89Å; C100-F117 HydrophobicContact CB-CD1 4.13Å; C100-F117 HydrophobicContact CB-CD2 4.12Å; C100-F117 HydrophobicContact CB-CE1 3.85Å; C100-F117 HydrophobicContact CB-CE2 3.84Å; C100-F117 HydrophobicContact CB-CG 4.27Å; C100-F117 HydrophobicContact CB-CZ 3.71Å; F117-A119 HydrophobicContact CE1-CB 4.07Å; F117-Y129 HydrophobicContact CB-CD2 4.48Å; F117-Y129 AromaticContact CD1-CD2 3.89Å; F117-Y129 HydrophobicContact CD1-CD2 3.89Å; F117-Y129 AromaticContact CD1-CE2 3.8Å; F117-Y129 HydrophobicContact CD1-CE2 3.8Å; F117-Y129 HydrophobicContact CE1-CE2 4.25Å; F117-Y129 WeakPolarHBondContact O-CD2 3.34Å; F117-Y129 PolarHBondContact O-N 3.44Å
118R96.1Very high93.2Very high39 Ų3943 Ų4315%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-130.3121.2172.9176.1173.7-175.174.34.2110.3G57 I58 Y60 K126 Y127 S128G57-R118 CarbonylContact C-O 3.58Å; G57-R118 WeakPolarHBondContact CA-O 3.37Å; I58-R118 HydrophobicContact CB-CB 4.34Å; I58-R118 PolarHBondContact N-O 3.1Å; I58-R118 PolarHBondContact O-N 2.91Å; Y60-R118 HydrophobicContact CD2-CB 4.34Å; Y60-R118 HydrophobicContact CE2-CB 3.96Å; Y60-R118 HydrophobicContact CE2-CG 4.43Å; R118-K126 PolarHBondContact NH1-O 2.96Å; R118-K126 PolarHBondContact NH2-O 2.87Å; R118-Y127 CarbonylContact C-O 3.59Å; R118-Y127 VanDerWaalsContact CA-O 3.3Å; R118-Y127 WeakPolarHBondContact CA-O 3.5Å; R118-Y127 WeakPolarHBondContact CG-O 3.03Å; R118-S128 WeakPolarHBondContact CD-OG 3.31Å; R118-S128 PolarHBondContact NH1-OG 3.01Å
119A95.1Very high93.2Very high0 Ų042.5 Ų42.50%025%0.25CS..EExtended strand (participates in β ladder)trans-92.5139.2174.100000111.7W21 F43 F117 K126 Y127 Y129W21-A119 HydrophobicContact CZ3-CB 4.42Å; F43-A119 HydrophobicContact CD2-CB 4.15Å; F43-A119 HydrophobicContact CE2-CB 4Å; F117-A119 HydrophobicContact CE1-CB 4.07Å; A119-K126 CarbonylContact O-C 3.26Å; A119-K126 WeakPolarHBondContact O-CA 3.32Å; A119-Y127 PolarHBondContact N-O 2.96Å; A119-Y127 PolarHBondContact O-N 2.86Å; A119-Y129 HydrophobicContact CB-CE2 3.94Å
120D92.7Very high93Very high31 Ų3142 Ų4217%0.16625%0.248CC..EExtended strand (participates in β ladder)trans-122.3102.8168.7-176-9.1000107.6H56 G122 K126H56-D120 HydrophobicContact CB-CB 4.29Å; H56-D120 PolarHBondContact N-O 2.97Å; H56-D120 PolarHBondContact O-N 3.41Å; D120-G122 PolarHBondContact OD1-N 2.9Å; D120-K126 HydrophobicContact CB-CD 4.38Å; D120-K126 HydrophobicContact CB-CG 4.3Å; D120-K126 VanDerWaalsContact CG-CE 3.47Å; D120-K126 WeakPolarHBondContact OD1-CE 3.48Å; D120-K126 WeakPolarHBondContact OD1-CG 3.18Å; D120-K126 IonicContact OD1-NZ 3.97Å; D120-K126 PolarHBondContact OD1-NZ 3.02Å; D120-K126 WeakPolarHBondContact OD2-CD 3.37Å; D120-K126 WeakPolarHBondContact OD2-CE 3.39Å; D120-K126 IonicContact OD2-NZ 3.25Å; D120-K126 PolarHBondContact OD2-NZ 2.86Å
121V89.9Confident93.1Very high3 Ų340.2 Ų40.22%0.01824%0.243CC..  trans-101.817.7-178.6-58.90000112W21 Y45 I49 P51 V55 N125W21-V121 HydrophobicContact CH2-CG2 3.81Å; Y45-V121 HydrophobicContact CD1-CG1 3.95Å; Y45-V121 HydrophobicContact CD2-CG1 4.28Å; Y45-V121 HydrophobicContact CE1-CG1 4.06Å; Y45-V121 HydrophobicContact CE2-CG1 4.38Å; Y45-V121 HydrophobicContact CG-CG1 4.06Å; I49-V121 HydrophobicContact CD1-CG2 4.26Å; I49-V121 HydrophobicContact CG2-CB 4.33Å; I49-V121 HydrophobicContact CG2-CG2 3.74Å; P51-V121 HydrophobicContact CB-CB 4.46Å; P51-V121 HydrophobicContact CG-CB 4.15Å; V55-V121 HydrophobicContact CG1-CG1 3.87Å; V55-V121 HydrophobicContact CG2-CG1 4.13Å; V121-N125 HydrophobicContact CG2-CB 3.48Å; V121-N125 VanDerWaalsContact CG2-CB 3.48Å; V121-N125 WeakPolarHBondContact CG2-O 3.21Å; V121-N125 PolarHBondContact N-O 3.1Å; V121-N125 VanDerWaalsContact N-O 3.08Å
122G84.5Confident93Very high31 Ų3143.2 Ų43.232%0.3225%0.254SS..SBendtrans101.9149.9172.300000115.3D120 A124 N125D120-G122 PolarHBondContact OD1-N 2.9Å; G122-A124 PolarHBondContact O-N 3.21Å; G122-N125 WeakPolarHBondContact O-CB 3.2Å; G122-N125 PolarHBondContact O-N 2.86Å; G122-N125 VanDerWaalsContact O-N 3.12Å
123G80.7Confident93Very high69 Ų6941 Ų4171%0.71124%0.239SC*.THydrogen-bonded Turntrans64-126-179.500000112K126G123-K126 WeakPolarHBondContact O-CE 3.34Å
124A80.9Confident93Very high97 Ų9742.9 Ų42.980%0.80224%0.243SC*.THydrogen-bonded Turntrans-87.9-6.817500000113.7G122 K126G122-A124 PolarHBondContact O-N 3.21Å; A124-K126 VanDerWaalsContact C-N 3.34Å; A124-K126 PolarHBondContact O-N 3.1Å
125N88.8Confident92.9Very high69 Ų6938.5 Ų38.537%0.36923%0.226SC..  trans-80.478.3-172.8-60.1-34.2000110.9I49 V121 G122I49-N125 HydrophobicContact CD1-CB 4.29Å; V121-N125 HydrophobicContact CG2-CB 3.48Å; V121-N125 VanDerWaalsContact CG2-CB 3.48Å; V121-N125 WeakPolarHBondContact CG2-O 3.21Å; V121-N125 PolarHBondContact N-O 3.1Å; V121-N125 VanDerWaalsContact N-O 3.08Å; G122-N125 WeakPolarHBondContact O-CB 3.2Å; G122-N125 PolarHBondContact O-N 2.86Å; G122-N125 VanDerWaalsContact O-N 3.12Å
126K91.4Very high92.9Very high93 Ų9344.6 Ų44.640%0.40425%0.253SS..EExtended strand (participates in β ladder)trans-131.8102.4-174.3-49.3-166.2-176.6-149.60111.4R118 A119 D120 G123 A124R118-K126 PolarHBondContact NH1-O 2.96Å; R118-K126 PolarHBondContact NH2-O 2.87Å; A119-K126 CarbonylContact O-C 3.26Å; A119-K126 WeakPolarHBondContact O-CA 3.32Å; D120-K126 HydrophobicContact CB-CD 4.38Å; D120-K126 HydrophobicContact CB-CG 4.3Å; D120-K126 VanDerWaalsContact CG-CE 3.47Å; D120-K126 WeakPolarHBondContact OD1-CE 3.48Å; D120-K126 WeakPolarHBondContact OD1-CG 3.18Å; D120-K126 IonicContact OD1-NZ 3.97Å; D120-K126 PolarHBondContact OD1-NZ 3.02Å; D120-K126 WeakPolarHBondContact OD2-CD 3.37Å; D120-K126 WeakPolarHBondContact OD2-CE 3.39Å; D120-K126 IonicContact OD2-NZ 3.25Å; D120-K126 PolarHBondContact OD2-NZ 2.86Å; G123-K126 WeakPolarHBondContact O-CE 3.34Å; A124-K126 VanDerWaalsContact C-N 3.34Å; A124-K126 PolarHBondContact O-N 3.1Å
127Y93.7Very high92.8Very high83 Ų8344 Ų4433%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-114.9127.5-169.3-166.5-99.4000111.2W21 R118 A119 Y129W21-Y127 HydrophobicContact CB-CD1 3.82Å; W21-Y127 HydrophobicContact CB-CD2 4.37Å; W21-Y127 HydrophobicContact CB-CE1 3.61Å; W21-Y127 HydrophobicContact CB-CE2 4.19Å; W21-Y127 HydrophobicContact CB-CG 4.19Å; W21-Y127 HydrophobicContact CD2-CD1 4.02Å; W21-Y127 HydrophobicContact CD2-CD2 4.02Å; W21-Y127 AromaticContact CD2-CG 3.66Å; W21-Y127 HydrophobicContact CD2-CG 3.66Å; W21-Y127 VanDerWaalsContact CE3-CB 3.41Å; W21-Y127 AromaticContact CE3-CD1 3.87Å; W21-Y127 HydrophobicContact CE3-CD1 3.87Å; W21-Y127 HydrophobicContact CE3-CD2 4.49Å; W21-Y127 AromaticContact CE3-CG 3.69Å; W21-Y127 HydrophobicContact CE3-CG 3.69Å; W21-Y127 HydrophobicContact CG-CD1 4.04Å; W21-Y127 AromaticContact CG-CD2 3.97Å; W21-Y127 HydrophobicContact CG-CD2 3.97Å; W21-Y127 HydrophobicContact CG-CE1 4.21Å; W21-Y127 HydrophobicContact CG-CE2 4.16Å; W21-Y127 AromaticContact CG-CG 3.92Å; W21-Y127 HydrophobicContact CG-CG 3.92Å; W21-Y127 VanDerWaalsContact CZ3-CB 3.44Å; W21-Y127 HydrophobicContact CZ3-CG 4.24Å; R118-Y127 CarbonylContact C-O 3.59Å; R118-Y127 VanDerWaalsContact CA-O 3.3Å; R118-Y127 WeakPolarHBondContact CA-O 3.5Å; R118-Y127 WeakPolarHBondContact CG-O 3.03Å; A119-Y127 PolarHBondContact N-O 2.96Å; A119-Y127 PolarHBondContact O-N 2.86Å; Y127-Y129 AromaticContact CD1-CD1 3.65Å; Y127-Y129 HydrophobicContact CD1-CD1 3.65Å; Y127-Y129 HydrophobicContact CD1-CD2 4.34Å; Y127-Y129 AromaticContact CD1-CE1 3.69Å; Y127-Y129 HydrophobicContact CD1-CE1 3.69Å; Y127-Y129 HydrophobicContact CD1-CE2 4.37Å; Y127-Y129 AromaticContact CD1-CG 3.99Å; Y127-Y129 HydrophobicContact CD1-CG 3.99Å; Y127-Y129 AromaticContact CE1-CD1 3.58Å; Y127-Y129 HydrophobicContact CE1-CD1 3.58Å; Y127-Y129 AromaticContact CE1-CE1 3.93Å; Y127-Y129 HydrophobicContact CE1-CE1 3.93Å; Y127-Y129 HydrophobicContact CE1-CG 4.12Å
128S95.1Very high92.8Very high8 Ų845.3 Ų45.36%0.05626%0.259CS..EExtended strand (participates in β ladder)trans-91.2127.2164.8-67.20000106.9P64 R118P64-S128 WeakPolarHBondContact O-CB 3.26Å; P64-S128 PolarHBondContact O-OG 3.06Å; R118-S128 WeakPolarHBondContact CD-OG 3.31Å; R118-S128 PolarHBondContact NH1-OG 3.01Å
129Y95.4Very high92.7Very high1 Ų148.1 Ų48.10%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-75.2141173-59.7-86.5000109W21 N22 I23 F43 M44 F117 A119 Y127 D131W21-Y129 HydrophobicContact CB-CE1 4.18Å; W21-Y129 HydrophobicContact CE3-CE1 4.29Å; N22-Y129 WeakPolarHBondContact O-CE1 3.34Å; I23-Y129 HydrophobicContact CB-CD1 3.74Å; I23-Y129 HydrophobicContact CB-CD2 4.33Å; I23-Y129 HydrophobicContact CB-CE1 4.26Å; I23-Y129 HydrophobicContact CB-CG 3.78Å; I23-Y129 HydrophobicContact CD1-CD2 3.86Å; I23-Y129 HydrophobicContact CD1-CE2 4.44Å; I23-Y129 HydrophobicContact CD1-CG 4.04Å; I23-Y129 HydrophobicContact CG1-CG 4.48Å; I23-Y129 HydrophobicContact CG2-CD1 4.09Å; I23-Y129 HydrophobicContact CG2-CG 3.95Å; F43-Y129 HydrophobicContact CB-CE2 4.12Å; F43-Y129 HydrophobicContact CD2-CE2 4.42Å; F43-Y129 WeakPolarHBondContact CD2-OH 3.17Å; M44-Y129 PolarHBondContact O-OH 3.2Å; F117-Y129 HydrophobicContact CB-CD2 4.48Å; F117-Y129 AromaticContact CD1-CD2 3.89Å; F117-Y129 HydrophobicContact CD1-CD2 3.89Å; F117-Y129 AromaticContact CD1-CE2 3.8Å; F117-Y129 HydrophobicContact CD1-CE2 3.8Å; F117-Y129 HydrophobicContact CE1-CE2 4.25Å; F117-Y129 WeakPolarHBondContact O-CD2 3.34Å; F117-Y129 PolarHBondContact O-N 3.44Å; A119-Y129 HydrophobicContact CB-CE2 3.94Å; Y127-Y129 AromaticContact CD1-CD1 3.65Å; Y127-Y129 HydrophobicContact CD1-CD1 3.65Å; Y127-Y129 HydrophobicContact CD1-CD2 4.34Å; Y127-Y129 AromaticContact CD1-CE1 3.69Å; Y127-Y129 HydrophobicContact CD1-CE1 3.69Å; Y127-Y129 HydrophobicContact CD1-CE2 4.37Å; Y127-Y129 AromaticContact CD1-CG 3.99Å; Y127-Y129 HydrophobicContact CD1-CG 3.99Å; Y127-Y129 AromaticContact CE1-CD1 3.58Å; Y127-Y129 HydrophobicContact CE1-CD1 3.58Å; Y127-Y129 AromaticContact CE1-CE1 3.93Å; Y127-Y129 HydrophobicContact CE1-CE1 3.93Å; Y127-Y129 HydrophobicContact CE1-CG 4.12Å; Y129-D131 VanDerWaalsContact C-N 3.35Å
130P91.9Very high92.7Very high63 Ų6352.4 Ų52.441%0.40930%0.296SS..EExtended strand (participates in β ladder)trans-76.8-27.3179.431.6-33.8000111.9Y116Y116-P130 WeakPolarHBondContact CE1-O 3.42Å
131D95.2Very high92.9Very high77 Ų7751 Ų5141%0.41229%0.289SS..EExtended strand (participates in β ladder)trans-74.2152.5179.8-38.2-77.1000111I23 Y129I23-D131 HydrophobicContact CG2-CB 3.76Å; Y129-D131 VanDerWaalsContact C-N 3.35Å
132Y95.9Very high93Very high63 Ų6354.4 Ų54.425%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-145.1161-170.658.2-95.1000111.6R114 Y115 Y116 E134R114-Y132 HydrophobicContact CB-CD2 3.98Å; R114-Y132 HydrophobicContact CB-CG 4.15Å; R114-Y132 HydrophobicContact CG-CD2 3.61Å; R114-Y132 HydrophobicContact CG-CE2 3.75Å; R114-Y132 HydrophobicContact CG-CG 4.16Å; R114-Y132 PolarHBondContact NH1-OH 3.25Å; R114-Y132 PolarHBondContact NH2-OH 3.48Å; Y115-Y132 VanDerWaalsContact O-CA 3.27Å; Y115-Y132 WeakPolarHBondContact O-CA 3.4Å; Y115-Y132 WeakPolarHBondContact O-CB 3.48Å; Y116-Y132 HydrophobicContact CD1-CD1 4.44Å; Y116-Y132 AromaticContact CE1-CD1 3.65Å; Y116-Y132 HydrophobicContact CE1-CD1 3.65Å; Y116-Y132 AromaticContact CE1-CG 3.99Å; Y116-Y132 HydrophobicContact CE1-CG 3.99Å; Y132-E134 HydrophobicContact CD2-CB 4.18Å; Y132-E134 HydrophobicContact CE2-CB 4.02Å; Y132-E134 WeakPolarHBondContact CE2-OE2 3.29Å
133A96.8Very high93.6Very high0 Ų053 Ų530%029%0.292CS..EExtended strand (participates in β ladder)trans-100.8130.2160.600000108.9L25 P26 I29 I39 R114 Y115L25-A133 HydrophobicContact CB-CB 4.5Å; P26-A133 HydrophobicContact CG-CB 4.42Å; P26-A133 VanDerWaalsContact O-CA 3.27Å; P26-A133 WeakPolarHBondContact O-CA 3.49Å; P26-A133 VanDerWaalsContact O-CB 3.27Å; P26-A133 WeakPolarHBondContact O-CB 3.49Å; I29-A133 HydrophobicContact CG2-CB 4.43Å; I39-A133 HydrophobicContact CG2-CB 3.68Å; R114-A133 WeakPolarHBondContact CA-O 3.43Å; Y115-A133 PolarHBondContact N-O 2.99Å; Y115-A133 PolarHBondContact O-N 2.79Å; Y115-A133 VanDerWaalsContact O-N 3.08Å
134E97Very high94.4Very high57 Ų5754.3 Ų54.327%0.26628%0.283SS..EExtended strand (participates in β ladder)trans-96.5105.4175.2-164.5141.6-153.600109R27 I29 R114 Y132R27-E134 PolarHBondContact O-N 3.29Å; I29-E134 PolarHBondContact N-O 3.15Å; R114-E134 HydrophobicContact CG-CB 4.3Å; R114-E134 HydrophobicContact CG-CG 4.01Å; R114-E134 IonicContact CZ-OE1 2.89Å; R114-E134 IonicContact CZ-OE2 2.84Å; R114-E134 IonicContact NE-OE1 2.66Å; R114-E134 PolarHBondContact NE-OE1 2.88Å; R114-E134 IonicContact NE-OE2 3.25Å; R114-E134 PolarHBondContact NE-OE2 2.81Å; R114-E134 IonicContact NH2-OE1 3.5Å; R114-E134 PolarHBondContact NH2-OE1 2.91Å; R114-E134 IonicContact NH2-OE2 3.52Å; R114-E134 PolarHBondContact NH2-OE2 3.27Å; Y132-E134 HydrophobicContact CD2-CB 4.18Å; Y132-E134 HydrophobicContact CE2-CB 4.02Å; Y132-E134 WeakPolarHBondContact CE2-OE2 3.29Å
135L97.4Very high95.1Very high2 Ų252.7 Ų52.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-83.2128.8179.2177.562.4000110I29 V37 S112 G113 Y115 V137I29-L135 HydrophobicContact CG2-CB 4.35Å; I29-L135 HydrophobicContact CG2-CD1 4.07Å; I29-L135 CarbonylContact O-C 3.29Å; I29-L135 WeakPolarHBondContact O-CA 3.29Å; V37-L135 HydrophobicContact CB-CD1 4.27Å; V37-L135 HydrophobicContact CG1-CD1 4Å; V37-L135 HydrophobicContact CG1-CD2 4.01Å; V37-L135 HydrophobicContact CG2-CD1 3.93Å; S112-L135 CarbonylContact C-O 3.51Å; S112-L135 VanDerWaalsContact CA-O 3.22Å; S112-L135 WeakPolarHBondContact CA-O 3.44Å; G113-L135 PolarHBondContact N-O 3.5Å; G113-L135 PolarHBondContact O-N 3.44Å; Y115-L135 HydrophobicContact CD2-CB 3.88Å; Y115-L135 HydrophobicContact CE2-CB 3.61Å; Y115-L135 HydrophobicContact CE2-CD2 3.69Å; Y115-L135 HydrophobicContact CE2-CG 4.29Å; L135-V137 HydrophobicContact CD1-CG2 4.45Å; L135-V137 HydrophobicContact CD2-CG2 3.97Å; L135-V137 HydrophobicContact CG-CG2 3.95Å
136K96.6Very high95.4Very high129 Ų12952.2 Ų52.256%0.56126%0.261SS*.EExtended strand (participates in β ladder)trans-114.4111.1170.8-172.1-176-178.3-172.30109.7I29 S30 A31 L138I29-K136 PolarHBondContact O-N 2.85Å; S30-K136 VanDerWaalsContact CA-O 3.24Å; S30-K136 WeakPolarHBondContact CA-O 3.01Å; A31-K136 PolarHBondContact N-O 3.17Å; K136-L138 HydrophobicContact CD-CD2 3.92Å; K136-L138 HydrophobicContact CG-CD2 3.92Å
137V96.9Very high95.5Very high9 Ų958 Ų586%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-92.8123.3177-172.20000109.2A31 T33 V107 H111 S112 L135A31-V137 CarbonylContact O-C 3.53Å; A31-V137 WeakPolarHBondContact O-CA 3.43Å; T33-V137 HydrophobicContact CG2-CG1 3.73Å; V107-V137 HydrophobicContact CB-CG1 4.23Å; V107-V137 HydrophobicContact CB-CG2 4.03Å; V107-V137 HydrophobicContact CG2-CG1 3.87Å; V107-V137 HydrophobicContact CG2-CG2 4.14Å; H111-V137 HydrophobicContact CB-CG2 4.42Å; S112-V137 PolarHBondContact OG-N 3.01Å; L135-V137 HydrophobicContact CD1-CG2 4.45Å; L135-V137 HydrophobicContact CD2-CG2 3.97Å; L135-V137 HydrophobicContact CG-CG2 3.95Å
138L96Very high95.6Very high28 Ų2859 Ų5915%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-101132.5-173.1-58.3178.6000111.6A31 M32 T33 K136 P162A31-L138 PolarHBondContact O-N 2.75Å; M32-L138 CarbonylContact C-O 3.2Å; M32-L138 WeakPolarHBondContact CA-O 2.98Å; M32-L138 HydrophobicContact CE-CB 4.27Å; M32-L138 HydrophobicContact SD-CB 3.82Å; M32-L138 HydrophobicContact SD-CD1 4.32Å; T33-L138 PolarHBondContact N-O 3.28Å; K136-L138 HydrophobicContact CD-CD2 3.92Å; K136-L138 HydrophobicContact CG-CD2 3.92Å; L138-P162 HydrophobicContact CD1-CG 4.25Å
139D95.3Very high95.7Very high98 Ų9859.2 Ų59.252%0.52430%0.297SS..SBendtrans-93.7-14.4173.156.6-5.1000113.2T33 T109 Y228T33-D139 HydrophobicContact CG2-CB 4.2Å; T109-D139 HydrophobicContact CG2-CB 4.42Å; D139-Y228 WeakPolarHBondContact O-CD1 3.44Å
140Q95.4Very high95.7Very high89 Ų8960.9 Ų60.942%0.41631%0.307SS..SBendtrans-144.6154.5176.867.6-171.2-67.200110.2R230Q140-R230 HydrophobicContact CB-CB 4.4Å
141P95.3Very high95.9Very high1 Ų158.3 Ų58.31%0.00629%0.291CS..  trans-62.9158.8174.121-28.7000113C217 V219 R230P141-C217 HydrophobicContact CG-CB 4.42Å; P141-V219 HydrophobicContact CB-CG2 3.66Å; P141-V219 HydrophobicContact CG-CG2 4.08Å; P141-R230 HydrophobicContact CG-CB 3.82Å; P141-R230 WeakPolarHBondContact O-CD 3.11Å
142N93.4Very high95.9Very high75 Ų7559 Ų5940%0.40130%0.295SS..EExtended strand (participates in β ladder)trans-89.4129.9165.3-167.355.7000110.3C159 Y160 R230N142-C159 CarbonylContact O-C 3.36Å; N142-C159 VanDerWaalsContact O-CA 3.31Å; N142-C159 WeakPolarHBondContact O-CA 3.36Å; N142-Y160 PolarHBondContact N-O 2.88Å; N142-Y160 PolarHBondContact O-N 3.06Å; N142-R230 PolarHBondContact OD1-NH1 2.86Å
143I96.9Very high95.9Very high3 Ų361.9 Ų61.92%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-108.9126.6161.9-56.7168000106.2I145 T158 C159 W174 C217 R230 I232I143-I145 HydrophobicContact CG2-CG1 3.96Å; I143-T158 WeakPolarHBondContact CA-O 3.39Å; I143-C159 HydrophobicContact CG1-CB 4.25Å; I143-W174 HydrophobicContact CD1-CZ3 4.25Å; I143-W174 HydrophobicContact CG1-CH2 4.43Å; I143-W174 HydrophobicContact CG2-CH2 3.85Å; I143-W174 HydrophobicContact CG2-CZ3 4.43Å; I143-C217 HydrophobicContact CD1-CB 3.62Å; I143-C217 HydrophobicContact CG1-CB 3.69Å; I143-R230 HydrophobicContact CD1-CB 4.27Å; I143-R230 HydrophobicContact CD1-CG 4.1Å; I143-R230 PolarHBondContact O-NH1 3.33Å; I143-R230 PolarHBondContact O-NH2 2.96Å; I143-I232 HydrophobicContact CD1-CD1 4.45Å; I143-I232 HydrophobicContact CD1-CG1 4.38Å; I143-I232 HydrophobicContact CD1-CG2 3.94Å; I143-I232 HydrophobicContact CG2-CD1 4.29Å
144D96.6Very high95.9Very high95 Ų9566.8 Ų66.851%0.50835%0.345SS..EExtended strand (participates in β ladder)trans-85.5139.4166.7-163.820.9000109.7T158 Y160D144-T158 PolarHBondContact N-O 2.9Å; D144-Y160 HydrophobicContact CB-CE2 3.86Å
145I95.6Very high95.9Very high64 Ų6464.5 Ų64.533%0.32833%0.334SS..  trans-142.2126.3-169.1-46.8174.2000106.9I143 I149 L157 I232I143-I145 HydrophobicContact CG2-CG1 3.96Å; I145-I149 HydrophobicContact CG2-CD1 4.02Å; I145-L157 HydrophobicContact CB-CD2 4.4Å; I145-L157 HydrophobicContact CG2-CD2 4.03Å; I145-I232 HydrophobicContact CD1-CB 4.39Å; I145-I232 HydrophobicContact CD1-CD1 4.18Å; I145-I232 HydrophobicContact CD1-CG2 3.82Å
146P96.1Very high95.8Very high59 Ų5969.8 Ų69.838%0.38336%0.359SS..  trans-54150.8171.9-28.737.6000112.9E148 L155P146-E148 WeakPolarHBondContact CB-O 3.4Å; P146-E148 PolarHBondContact O-N 2.82Å; P146-L155 HydrophobicContact CG-CD1 3.86Å
147E93.9Very high95.9Very high213 Ų21363.6 Ų63.6100%0.99533%0.332SS*.SBendtrans-61.1-27.6176.8-176.2169.2-16500112.3
148E94.6Very high95.9Very high106 Ų10663.7 Ų63.750%0.49533%0.332SS..  trans-139.2138.1-179.6-164.2176.9129.800109.7P146 V150 K237 Y311P146-E148 WeakPolarHBondContact CB-O 3.4Å; P146-E148 PolarHBondContact O-N 2.82Å; E148-V150 HydrophobicContact CG-CG2 4.22Å; E148-V150 WeakPolarHBondContact OE1-CG2 3.49Å; E148-K237 HydrophobicContact CG-CG 4.15Å; E148-Y311 VanDerWaalsContact OE1-CE1 3.32Å; E148-Y311 WeakPolarHBondContact OE1-CE1 3.28Å; E148-Y311 PolarHBondContact OE1-OH 3.45Å
149I96.8Very high96Very high11 Ų1162.3 Ų62.36%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-121100.6178.8-61177.8000107.8I145 L155 P206 L234 V236 K237I145-I149 HydrophobicContact CG2-CD1 4.02Å; I149-L155 HydrophobicContact CD1-CD1 4.32Å; I149-L155 HydrophobicContact CD1-CD2 4.19Å; I149-L155 HydrophobicContact CG1-CD1 3.96Å; I149-L155 HydrophobicContact CG1-CD2 4.5Å; I149-L155 HydrophobicContact CG2-CD1 4.13Å; I149-L155 HydrophobicContact CG2-CD2 3.77Å; I149-L155 HydrophobicContact CG2-CG 4.45Å; I149-P206 HydrophobicContact CG2-CG 4.03Å; I149-L234 HydrophobicContact CD1-CD2 4.1Å; I149-V236 HydrophobicContact CG2-CG2 4.16Å; I149-V236 CarbonylContact O-C 3.55Å; I149-V236 WeakPolarHBondContact O-CA 3.31Å; I149-K237 PolarHBondContact O-N 2.65Å
150V96.5Very high96Very high36 Ų3661.5 Ų61.522%0.21832%0.316CS..EExtended strand (participates in β ladder)trans-89136.2-178.6-169.30000110.4E148 E153 P206 Y311E148-V150 HydrophobicContact CG-CG2 4.22Å; E148-V150 WeakPolarHBondContact OE1-CG2 3.49Å; V150-E153 HydrophobicContact CB-CB 4.42Å; V150-E153 HydrophobicContact CB-CG 4.08Å; V150-E153 HydrophobicContact CG1-CG 4.13Å; V150-P206 WeakPolarHBondContact O-CG 3.3Å; V150-Y311 HydrophobicContact CG1-CD1 4.39Å; V150-Y311 HydrophobicContact CG2-CE1 4.32Å
151S96.4Very high96Very high10 Ų1057.3 Ų57.37%0.0730%0.296CS..THydrogen-bonded Turntrans-61.6145.2172.7-1730000111.2E153 R207 P208 K237S151-E153 PolarHBondContact O-N 2.84Å; S151-R207 WeakPolarHBondContact OG-CA 3.45Å; S151-P208 VanDerWaalsContact OG-CD 3.24Å; S151-P208 WeakPolarHBondContact OG-CD 3.39Å; S151-K237 VanDerWaalsContact CB-O 3.26Å; S151-K237 WeakPolarHBondContact CB-O 3.11Å; S151-K237 PolarHBondContact N-O 3.37Å
152D94.6Very high96Very high91 Ų9157.7 Ų57.749%0.48730%0.299SS..THydrogen-bonded Turntrans66.7-0.8175.2-49.6-83000115.4P206 R207D152-P206 PolarHBondContact N-O 2.93Å; D152-R207 WeakPolarHBondContact OD1-CD 3.09Å; D152-R207 IonicContact OD1-CZ 3.64Å; D152-R207 IonicContact OD1-NE 2.82Å; D152-R207 IonicContact OD1-NH1 3.21Å; D152-R207 PolarHBondContact OD1-NH1 2.83Å
153E95.8Very high96Very high124 Ų12455.4 Ų55.458%0.57929%0.286SS*.SBendtrans-90.7169.4164.4-58.7-160.6156.800111.6V150 S151 P206V150-E153 HydrophobicContact CB-CB 4.42Å; V150-E153 HydrophobicContact CB-CG 4.08Å; V150-E153 HydrophobicContact CG1-CG 4.13Å; S151-E153 PolarHBondContact O-N 2.84Å; E153-P206 WeakPolarHBondContact O-CD 3.39Å
154S96.1Very high95.9Very high102 Ų10256 Ų5671%0.71329%0.29SS*.PPolyproline II helixtrans-85.3119178.8-171.30000110.7
155L97.1Very high95.7Very high10 Ų1051.7 Ų51.75%0.05227%0.267CS..EExtended strand (participates in β ladder)trans-96.7133.6175.2-179.863.2000110.7P146 I149 L157 T203 F204 P206 L234P146-L155 HydrophobicContact CG-CD1 3.86Å; I149-L155 HydrophobicContact CD1-CD1 4.32Å; I149-L155 HydrophobicContact CD1-CD2 4.19Å; I149-L155 HydrophobicContact CG1-CD1 3.96Å; I149-L155 HydrophobicContact CG1-CD2 4.5Å; I149-L155 HydrophobicContact CG2-CD1 4.13Å; I149-L155 HydrophobicContact CG2-CD2 3.77Å; I149-L155 HydrophobicContact CG2-CG 4.45Å; L155-L157 HydrophobicContact CD1-CD2 4.12Å; L155-L157 HydrophobicContact CD1-CG 4.41Å; L155-L157 HydrophobicContact CD2-CD1 4.06Å; L155-L157 HydrophobicContact CD2-CD2 4.26Å; L155-L157 HydrophobicContact CD2-CG 4.01Å; L155-L157 HydrophobicContact CG-CD2 4.27Å; L155-L157 HydrophobicContact CG-CG 4.04Å; L155-T203 WeakPolarHBondContact O-CA 3.13Å; L155-F204 HydrophobicContact CD2-CE1 3.88Å; L155-F204 HydrophobicContact CD2-CE2 4.34Å; L155-F204 HydrophobicContact CD2-CZ 3.64Å; L155-F204 HydrophobicContact CG-CE1 4.5Å; L155-F204 PolarHBondContact N-O 2.78Å; L155-F204 PolarHBondContact O-N 3.43Å; L155-F204 VanDerWaalsContact O-N 3.13Å; L155-P206 HydrophobicContact CB-CG 4.14Å; L155-L234 HydrophobicContact CD2-CD2 4.32Å
156E97Very high95.4Very high112 Ų11253 Ų5352%0.52328%0.279SS..EExtended strand (participates in β ladder)trans-114.9128.2169.2-170.8177.4152.100109.3T201 T203E156-T201 HydrophobicContact CG-CG2 3.36Å; E156-T203 HydrophobicContact CB-CG2 4.03Å; E156-T203 HydrophobicContact CG-CG2 3.85Å
157L97.6Very high95Very high0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-127.3123.9174.1-63.5177000109I145 L155 W174 T201 L202 F204 L215 I232 L234I145-L157 HydrophobicContact CB-CD2 4.4Å; I145-L157 HydrophobicContact CG2-CD2 4.03Å; L155-L157 HydrophobicContact CD1-CD2 4.12Å; L155-L157 HydrophobicContact CD1-CG 4.41Å; L155-L157 HydrophobicContact CD2-CD1 4.06Å; L155-L157 HydrophobicContact CD2-CD2 4.26Å; L155-L157 HydrophobicContact CD2-CG 4.01Å; L155-L157 HydrophobicContact CG-CD2 4.27Å; L155-L157 HydrophobicContact CG-CG 4.04Å; L157-W174 HydrophobicContact CB-CH2 3.83Å; L157-W174 HydrophobicContact CB-CZ2 4.3Å; L157-W174 VanDerWaalsContact O-CZ2 3.32Å; L157-W174 WeakPolarHBondContact O-CZ2 3.23Å; L157-T201 CarbonylContact O-C 3.51Å; L157-T201 WeakPolarHBondContact O-CA 3.29Å; L157-L202 PolarHBondContact N-O 3.42Å; L157-L202 PolarHBondContact O-N 3.04Å; L157-F204 HydrophobicContact CD1-CE1 4.23Å; L157-L215 HydrophobicContact CD1-CD1 3.99Å; L157-I232 HydrophobicContact CD1-CD1 4.16Å; L157-L234 HydrophobicContact CD1-CD2 4.14Å
158T97.8Very high94.8Very high10 Ų1048 Ų486%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-115.2124.1-178.7-58.90000111.4I143 D144 Y160 T201I143-T158 WeakPolarHBondContact CA-O 3.39Å; D144-T158 PolarHBondContact N-O 2.9Å; T158-Y160 HydrophobicContact CG2-CD1 4.43Å; T158-Y160 HydrophobicContact CG2-CD2 4.15Å; T158-Y160 HydrophobicContact CG2-CE1 3.83Å; T158-Y160 HydrophobicContact CG2-CE2 3.51Å; T158-Y160 WeakPolarHBondContact CG2-OH 3.43Å; T158-Y160 WeakPolarHBondContact O-CD2 3.33Å; T158-Y160 WeakPolarHBondContact O-CE2 3.46Å; T158-T201 WeakPolarHBondContact CG2-OG1 3.5Å; T158-T201 WeakPolarHBondContact OG1-CG2 3.29Å; T158-T201 PolarHBondContact OG1-OG1 2.84Å
159C97.9Very high94.6Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-97.6140.8172.2-172.90000111N142 I143 I172 W174 S199 N200 C217N142-C159 CarbonylContact O-C 3.36Å; N142-C159 VanDerWaalsContact O-CA 3.31Å; N142-C159 WeakPolarHBondContact O-CA 3.36Å; I143-C159 HydrophobicContact CG1-CB 4.25Å; C159-I172 HydrophobicContact CB-CG2 4.23Å; C159-W174 HydrophobicContact CB-CH2 4.1Å; C159-W174 HydrophobicContact CB-CZ2 3.7Å; C159-S199 CarbonylContact O-C 3.59Å; C159-S199 WeakPolarHBondContact O-CA 3.42Å; C159-S199 WeakPolarHBondContact O-CB 3.23Å; C159-N200 PolarHBondContact N-O 2.88Å; C159-N200 PolarHBondContact O-N 2.8Å; C159-C217 HydrophobicContact CB-CB 3.69Å; C159-C217 WeakPolarHBondContact CB-SG 3.46Å; C159-C217 WeakPolarHBondContact SG-CB 3.44Å; C159-C217 CovalentContact SG-SG 2.01Å; C159-C217 PolarHBondContact SG-SG 2.89Å
160Y95Very high94.6Very high81 Ų8146.9 Ų46.932%0.31826%0.257SS..EExtended strand (participates in β ladder)trans-127.7138.6-174.2-59.2-94.7000111.9N142 D144 T158 V197N142-Y160 PolarHBondContact N-O 2.88Å; N142-Y160 PolarHBondContact O-N 3.06Å; D144-Y160 HydrophobicContact CB-CE2 3.86Å; T158-Y160 HydrophobicContact CG2-CD1 4.43Å; T158-Y160 HydrophobicContact CG2-CD2 4.15Å; T158-Y160 HydrophobicContact CG2-CE1 3.83Å; T158-Y160 HydrophobicContact CG2-CE2 3.51Å; T158-Y160 WeakPolarHBondContact CG2-OH 3.43Å; T158-Y160 WeakPolarHBondContact O-CD2 3.33Å; T158-Y160 WeakPolarHBondContact O-CE2 3.46Å; Y160-V197 HydrophobicContact CD1-CG1 3.97Å
161A95.2Very high94.5Very high1 Ų149.3 Ų49.31%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-133.3136.1172.600000111.3P170 I172 V197 I198 V219A161-P170 HydrophobicContact CB-CB 4.3Å; A161-P170 HydrophobicContact CB-CG 4.25Å; A161-I172 HydrophobicContact CB-CD1 3.93Å; A161-I172 HydrophobicContact CB-CG1 4.18Å; A161-V197 WeakPolarHBondContact O-CA 3.46Å; A161-I198 HydrophobicContact CB-CG2 3.94Å; A161-I198 PolarHBondContact N-O 2.92Å; A161-I198 WeakPolarHBondContact O-CG2 3.38Å; A161-I198 PolarHBondContact O-N 3.46Å; A161-V219 HydrophobicContact CB-CB 4.48Å; A161-V219 HydrophobicContact CB-CG1 3.81Å; A161-V219 HydrophobicContact CB-CG2 3.78Å
162P95Very high94.5Very high9 Ų950.1 Ų50.16%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-76.8129.1177.329.4-32.8000112.4S30 M32 L138S30-P162 VanDerWaalsContact O-CB 3.26Å; S30-P162 WeakPolarHBondContact O-CB 3.27Å; M32-P162 HydrophobicContact CG-CG 4.24Å; M32-P162 HydrophobicContact SD-CG 4.01Å; L138-P162 HydrophobicContact CD1-CG 4.25Å
163D94.6Very high94.6Very high26 Ų2649.9 Ų49.914%0.13927%0.265CS..  trans-104.434178.4-173.641.8000112.1C165 T169 P170 Y189 A196D163-C165 PolarHBondContact O-N 2.9Å; D163-T169 WeakPolarHBondContact OD1-CA 3.19Å; D163-P170 HydrophobicContact CB-CG 4.32Å; D163-P170 WeakPolarHBondContact OD1-CD 3.49Å; D163-Y189 HydrophobicContact CB-CE2 4.16Å; D163-Y189 VanDerWaalsContact OD2-CE2 3.24Å; D163-Y189 WeakPolarHBondContact OD2-CE2 3.43Å; D163-Y189 PolarHBondContact OD2-OH 2.86Å; D163-A196 HydrophobicContact CB-CB 3.96Å; D163-A196 PolarHBondContact N-O 3.48Å
164N94.6Very high94.7Very high16 Ų1644.7 Ų44.79%0.08624%0.24CC..  trans-81.924.6-176.9-60.4-70.2000113.4I29 S30 V37 V38 T195 A196I29-N164 HydrophobicContact CD1-CB 4.22Å; I29-N164 HydrophobicContact CG1-CB 4.25Å; S30-N164 PolarHBondContact O-ND2 3.3Å; V37-N164 CarbonylContact C-O 3.57Å; V37-N164 WeakPolarHBondContact CA-O 3.4Å; V37-N164 HydrophobicContact CG2-CB 4Å; V38-N164 PolarHBondContact N-O 2.89Å; N164-T195 VanDerWaalsContact OD1-CA 3.28Å; N164-T195 WeakPolarHBondContact OD1-CA 3.44Å; N164-A196 PolarHBondContact ND2-O 2.93Å; N164-A196 PolarHBondContact OD1-N 3.37Å
165C92.4Very high94.7Very high4 Ų441.3 Ų41.33%0.02721%0.213CC..  trans-130.6100.5-175.8-174.20000112.1C36 D163 D167 M168C36-C165 VanDerWaalsContact CA-SG 3.57Å; C36-C165 HydrophobicContact CB-CB 4.22Å; C36-C165 WeakPolarHBondContact CB-SG 3.34Å; C36-C165 PolarHBondContact N-SG 2.02Å; C36-C165 VanDerWaalsContact N-SG 3.37Å; C36-C165 WeakPolarHBondContact O-CB 3.29Å; C36-C165 WeakPolarHBondContact SG-CA 3.02Å; C36-C165 WeakPolarHBondContact SG-CB 3.37Å; C36-C165 CovalentContact SG-SG 2.03Å; C36-C165 PolarHBondContact SG-SG 3.19Å; D163-C165 PolarHBondContact O-N 2.9Å; C165-D167 PolarHBondContact O-N 3.46Å; C165-D167 VanDerWaalsContact O-N 3.11Å; C165-M168 HydrophobicContact CB-CB 4.35Å; C165-M168 CarbonylContact O-C 3.59Å; C165-M168 PolarHBondContact O-N 2.69Å
166P88.4Confident94.6Very high92 Ų9246.6 Ų46.660%0.59723%0.233SC*.THydrogen-bonded Turntrans-68.3-16.7-172.629.4-37.5000114.4V38V38-P166 VanDerWaalsContact CG2-CD 3.49Å; V38-P166 HydrophobicContact CG2-CG 3.83Å
167D86.8Confident94.6Very high130 Ų13042.4 Ų42.470%0.69522%0.215SC*.THydrogen-bonded Turntrans-87.6-10.2175.3-61.8-46.9000112.4C165C165-D167 PolarHBondContact O-N 3.46Å; C165-D167 VanDerWaalsContact O-N 3.11Å
168M90.1Very high94.2Very high37 Ų3749.2 Ų49.218%0.18225%0.252CS..  trans-150.294-170.7-58.3-175.658.100112.5C165 F221 T224 L226C165-M168 HydrophobicContact CB-CB 4.35Å; C165-M168 CarbonylContact O-C 3.59Å; C165-M168 PolarHBondContact O-N 2.69Å; M168-F221 HydrophobicContact CB-CD1 3.73Å; M168-F221 HydrophobicContact CB-CE1 4.07Å; M168-F221 HydrophobicContact CE-CB 3.8Å; M168-F221 HydrophobicContact CE-CD1 3.93Å; M168-F221 HydrophobicContact CE-CD2 4.19Å; M168-F221 HydrophobicContact CE-CG 3.72Å; M168-F221 WeakPolarHBondContact O-CD1 3.19Å; M168-F221 VanDerWaalsContact O-CE1 3.23Å; M168-F221 WeakPolarHBondContact O-CE1 3.34Å; M168-T224 HydrophobicContact CE-CG2 3.62Å; M168-L226 HydrophobicContact CE-CD1 3.55Å; M168-L226 HydrophobicContact CE-CG 4.3Å
169T91.8Very high93.8Very high88 Ų8857.2 Ų57.254%0.5428%0.282SS..  trans-80.7129171.953.10000111.5D163 F221D163-T169 WeakPolarHBondContact OD1-CA 3.19Å; T169-F221 WeakPolarHBondContact O-CD1 3.36Å
170P95Very high93.6Very high6 Ų657.9 Ų57.94%0.03929%0.286CS..  trans-82.7147.4175.826.7-23.1000112.8A161 D163 I198 V219 F221A161-P170 HydrophobicContact CB-CB 4.3Å; A161-P170 HydrophobicContact CB-CG 4.25Å; D163-P170 HydrophobicContact CB-CG 4.32Å; D163-P170 WeakPolarHBondContact OD1-CD 3.49Å; P170-I198 HydrophobicContact CG-CG2 3.86Å; P170-V219 HydrophobicContact CB-CG1 3.79Å; P170-F221 HydrophobicContact CB-CD1 4.04Å; P170-F221 HydrophobicContact CB-CE1 3.56Å; P170-F221 HydrophobicContact CB-CE2 4.44Å; P170-F221 HydrophobicContact CB-CZ 3.8Å; P170-F221 HydrophobicContact CG-CE1 3.94Å; P170-F221 HydrophobicContact CG-CZ 4.3Å
171E95.4Very high93.4Very high87 Ų8756 Ų5641%0.40728%0.283SS..EExtended strand (participates in β ladder)trans-110.2146.4164.9-71.1179-168.500109.8V219 Y220 P222E171-V219 WeakPolarHBondContact O-CA 3.38Å; E171-Y220 HydrophobicContact CB-CD2 4.33Å; E171-Y220 HydrophobicContact CB-CE1 4.26Å; E171-Y220 HydrophobicContact CB-CE2 3.75Å; E171-Y220 HydrophobicContact CG-CE2 4.35Å; E171-Y220 PolarHBondContact N-O 2.88Å; E171-Y220 PolarHBondContact O-N 3.45Å; E171-Y220 WeakPolarHBondContact OE2-CE2 3.39Å; E171-Y220 PolarHBondContact OE2-OH 2.83Å; E171-P222 VanDerWaalsContact CD-CG 3.41Å; E171-P222 HydrophobicContact CG-CG 3.94Å; E171-P222 VanDerWaalsContact OE1-CG 3.23Å; E171-P222 WeakPolarHBondContact OE1-CG 3.16Å
172I97.4Very high93.3Very high26 Ų2663.1 Ų63.113%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-112134.9178.9-54.5-171.3000110C159 A161 I198 N200 C217 R218 V219C159-I172 HydrophobicContact CB-CG2 4.23Å; A161-I172 HydrophobicContact CB-CD1 3.93Å; A161-I172 HydrophobicContact CB-CG1 4.18Å; I172-I198 HydrophobicContact CD1-CG2 4.13Å; I172-I198 HydrophobicContact CG1-CG2 4.31Å; I172-N200 HydrophobicContact CB-CB 3.96Å; I172-N200 HydrophobicContact CD1-CB 4.46Å; I172-N200 HydrophobicContact CG2-CB 3.69Å; I172-C217 VanDerWaalsContact CG2-SG 3.57Å; I172-R218 WeakPolarHBondContact CA-O 3.38Å; I172-V219 HydrophobicContact CG1-CG2 4.28Å
173Q96.4Very high93.3Very high86 Ų8664.6 Ų64.640%0.40233%0.331SS..EExtended strand (participates in β ladder)trans-134.5129.2176.7173.7177.333.600110.3R218 Y220Q173-R218 HydrophobicContact CB-CB 4.38Å; Q173-R218 PolarHBondContact N-O 2.92Å; Q173-R218 WeakPolarHBondContact O-CB 3.46Å; Q173-R218 PolarHBondContact O-N 3.28Å; Q173-Y220 HydrophobicContact CB-CE1 4.07Å
174W97.6Very high93.4Very high15 Ų1570.1 Ų70.16%0.05736%0.356CS..EExtended strand (participates in β ladder)trans-79.6151.6166.9-71.396.8000111.7I143 L157 C159 T177 F185 N200 L202 G216 C217I143-W174 HydrophobicContact CD1-CZ3 4.25Å; I143-W174 HydrophobicContact CG1-CH2 4.43Å; I143-W174 HydrophobicContact CG2-CH2 3.85Å; I143-W174 HydrophobicContact CG2-CZ3 4.43Å; L157-W174 HydrophobicContact CB-CH2 3.83Å; L157-W174 HydrophobicContact CB-CZ2 4.3Å; L157-W174 VanDerWaalsContact O-CZ2 3.32Å; L157-W174 WeakPolarHBondContact O-CZ2 3.23Å; C159-W174 HydrophobicContact CB-CH2 4.1Å; C159-W174 HydrophobicContact CB-CZ2 3.7Å; W174-T177 HydrophobicContact CB-CG2 3.82Å; W174-F185 HydrophobicContact CB-CE1 3.88Å; W174-F185 AromaticContact CD1-CD1 3.72Å; W174-F185 AromaticContact CD1-CE1 3.75Å; W174-F185 HydrophobicContact CG-CD1 4.41Å; W174-F185 AromaticContact CG-CE1 4Å; W174-F185 HydrophobicContact CG-CE1 4Å; W174-N200 PolarHBondContact NE1-O 2.9Å; W174-N200 PolarHBondContact NE1-OD1 2.95Å; W174-L202 HydrophobicContact CD2-CB 3.98Å; W174-L202 HydrophobicContact CD2-CD2 3.92Å; W174-L202 HydrophobicContact CE3-CD2 3.92Å; W174-L202 HydrophobicContact CG-CB 4.27Å; W174-L202 HydrophobicContact CG-CD2 4.29Å; W174-L202 HydrophobicContact CZ2-CB 3.9Å; W174-L202 HydrophobicContact CZ3-CD2 4.33Å; W174-G216 CarbonylContact C-O 3.24Å; W174-G216 WeakPolarHBondContact CA-O 3.41Å; W174-C217 HydrophobicContact CE3-CB 4.33Å; W174-C217 HydrophobicContact CZ3-CB 4.29Å
175M96.3Very high93.5Very high31 Ų3174.2 Ų74.215%0.15337%0.373CS..EExtended strand (participates in β ladder)trans-131.7151.1-176.3-55.7-167.6-66.700110.9T177 G216 R218 E229 L231M175-T177 PolarHBondContact O-N 2.86Å; M175-G216 PolarHBondContact N-O 2.88Å; M175-G216 PolarHBondContact O-N 3.41Å; M175-R218 HydrophobicContact CE-CB 4.09Å; M175-R218 HydrophobicContact CG-CB 4.08Å; M175-R218 HydrophobicContact SD-CB 3.84Å; M175-R218 HydrophobicContact SD-CG 4.34Å; M175-E229 HydrophobicContact CE-CB 4.05Å; M175-E229 HydrophobicContact CE-CG 3.76Å; M175-E229 HydrophobicContact SD-CG 4.44Å; M175-L231 HydrophobicContact CE-CD2 3.87Å
176Y95.3Very high93.7Very high121 Ų12177.5 Ų77.548%0.47540%0.396SS..SBendtrans63.923.7-179.6-48.2-68.3000114.7D178 Q213 L214 L215 L231Y176-D178 VanDerWaalsContact C-N 3.28Å; Y176-D178 PolarHBondContact O-N 2.81Å; Y176-Q213 PolarHBondContact O-NE2 3.16Å; Y176-L214 VanDerWaalsContact CB-O 3.3Å; Y176-L214 WeakPolarHBondContact CB-O 3.42Å; Y176-L215 WeakPolarHBondContact O-CD2 3.39Å; Y176-L231 HydrophobicContact CD2-CD2 4.38Å; Y176-L231 HydrophobicContact CE2-CD2 3.84Å
177T95.1Very high94Very high24 Ų2476.6 Ų76.615%0.14740%0.396CS..G310 helixtrans-77-8.6178.852.50000114W174 M175 Y179 L180 F185 L202 L215W174-T177 HydrophobicContact CB-CG2 3.82Å; M175-T177 PolarHBondContact O-N 2.86Å; T177-Y179 PolarHBondContact O-N 2.81Å; T177-Y179 VanDerWaalsContact O-N 3.09Å; T177-L180 HydrophobicContact CG2-CD1 4.08Å; T177-L180 WeakPolarHBondContact O-CB 3.5Å; T177-L180 PolarHBondContact O-N 2.84Å; T177-F185 HydrophobicContact CG2-CE1 4.25Å; T177-F185 HydrophobicContact CG2-CZ 4.08Å; T177-L202 HydrophobicContact CG2-CD2 4.1Å; T177-L215 HydrophobicContact CG2-CD2 4.42Å
178D90.9Very high94.4Very high144 Ų14474.9 Ų74.977%0.7739%0.387SS*.G310 helixtrans-62-18.7-173.4-57.1-71.2000114.9Y176Y176-D178 VanDerWaalsContact C-N 3.28Å; Y176-D178 PolarHBondContact O-N 2.81Å
179Y89.4Confident94.5Very high178 Ų17878.6 Ų78.670%0.69840%0.4SS*.G310 helixtrans-99.6-0.8177.8-56.5-80.7000113.3T177T177-Y179 PolarHBondContact O-N 2.81Å; T177-Y179 VanDerWaalsContact O-N 3.09Å
180L93.3Very high94.4Very high14 Ų1477.4 Ų77.47%0.07339%0.393CS..SBendtrans-82.5144.1178.9-58.2-176.7000111.2T177 D182 P183 L202 F204 L215T177-L180 HydrophobicContact CG2-CD1 4.08Å; T177-L180 WeakPolarHBondContact O-CB 3.5Å; T177-L180 PolarHBondContact O-N 2.84Å; L180-D182 PolarHBondContact O-N 3.23Å; L180-P183 HydrophobicContact CB-CB 4.19Å; L180-P183 HydrophobicContact CB-CG 4.25Å; L180-P183 HydrophobicContact CD1-CB 4.41Å; L180-L202 HydrophobicContact CD1-CD1 4.19Å; L180-L202 HydrophobicContact CD1-CD2 3.9Å; L180-F204 HydrophobicContact CB-CD2 4.41Å; L180-F204 HydrophobicContact CB-CG 4.5Å; L180-F204 HydrophobicContact CD1-CD1 3.86Å; L180-F204 HydrophobicContact CD1-CD2 4.39Å; L180-F204 HydrophobicContact CD1-CE1 3.83Å; L180-F204 HydrophobicContact CD1-CE2 4.37Å; L180-F204 HydrophobicContact CD1-CG 4.14Å; L180-F204 HydrophobicContact CD1-CZ 4.08Å; L180-F204 HydrophobicContact CD2-CD2 4Å; L180-F204 HydrophobicContact CD2-CE1 4.41Å; L180-F204 HydrophobicContact CD2-CE2 3.6Å; L180-F204 HydrophobicContact CD2-CZ 3.81Å; L180-F204 HydrophobicContact CG-CE2 4.47Å; L180-L215 HydrophobicContact CD1-CD1 4.12Å; L180-L215 HydrophobicContact CD1-CD2 3.9Å; L180-L215 HydrophobicContact CD2-CD2 4.27Å; L180-L215 HydrophobicContact CG-CD2 4.23Å
181P91.4Very high94Very high41 Ų4183 Ų8327%0.26642%0.419SS..SBendtrans-78.8121.5175.431.3-32.1000109.8T205 H210P181-T205 WeakPolarHBondContact CG-O 3.35Å; P181-H210 VanDerWaalsContact CD-CE1 3.47Å; P181-H210 WeakPolarHBondContact CD-CE1 3.18Å
182D92.3Very high93.3Very high151 Ų15186.1 Ų86.181%0.80743%0.433SS*.SBendtrans41.955.9174.4-57.7-48.7000114.7L180 E184L180-D182 PolarHBondContact O-N 3.23Å; D182-E184 PolarHBondContact O-N 2.9Å
183P95.3Very high92.3Very high40 Ų4088.7 Ų88.726%0.2645%0.453SS..  trans-69.6121.8-175.528.6-34.9000112L180 F185 L202L180-P183 HydrophobicContact CB-CB 4.19Å; L180-P183 HydrophobicContact CB-CG 4.25Å; L180-P183 HydrophobicContact CD1-CB 4.41Å; P183-F185 HydrophobicContact CB-CE2 4.14Å; P183-F185 HydrophobicContact CB-CZ 4.1Å; P183-F185 HydrophobicContact CG-CE2 4.32Å; P183-F185 HydrophobicContact CG-CZ 4.44Å; P183-F185 WeakPolarHBondContact O-CE2 3.38Å; P183-L202 HydrophobicContact CB-CD1 3.68Å
184E96.7Very high91.5Very high141 Ų14189 Ų8966%0.65946%0.457SS*.EExtended strand (participates in β ladder)trans-96.8148.2172.9-65.9-169166.100110.9D182 T203D182-E184 PolarHBondContact O-N 2.9Å; E184-T203 PolarHBondContact N-O 3.39Å; E184-T203 PolarHBondContact O-N 2.82Å; E184-T203 PolarHBondContact O-OG1 2.83Å
185F96.7Very high91Very high102 Ų10289.5 Ų89.545%0.44746%0.462SS..EExtended strand (participates in β ladder)trans-130.1129.8-176.2-58.7-85.5000111.2W174 T177 P183 T201 L202W174-F185 HydrophobicContact CB-CE1 3.88Å; W174-F185 AromaticContact CD1-CD1 3.72Å; W174-F185 AromaticContact CD1-CE1 3.75Å; W174-F185 HydrophobicContact CG-CD1 4.41Å; W174-F185 AromaticContact CG-CE1 4Å; W174-F185 HydrophobicContact CG-CE1 4Å; T177-F185 HydrophobicContact CG2-CE1 4.25Å; T177-F185 HydrophobicContact CG2-CZ 4.08Å; P183-F185 HydrophobicContact CB-CE2 4.14Å; P183-F185 HydrophobicContact CB-CZ 4.1Å; P183-F185 HydrophobicContact CG-CE2 4.32Å; P183-F185 HydrophobicContact CG-CZ 4.44Å; P183-F185 WeakPolarHBondContact O-CE2 3.38Å; F185-T201 WeakPolarHBondContact CA-O 3.44Å; F185-L202 HydrophobicContact CD1-CB 4.33Å; F185-L202 HydrophobicContact CD1-CD1 4.22Å; F185-L202 HydrophobicContact CE1-CB 4.31Å; F185-L202 HydrophobicContact CE1-CD1 3.72Å; F185-L202 HydrophobicContact CE1-CG 4.42Å; F185-L202 HydrophobicContact CZ-CD1 4.08Å
186S96.6Very high90.8Very high73 Ų7388.4 Ų88.451%0.5146%0.458SS..EExtended strand (participates in β ladder)trans-121.5139.8172.9-171.20000110.1N200 T201S186-N200 CarbonylContact O-C 3.41Å; S186-N200 VanDerWaalsContact O-CA 3.31Å; S186-N200 WeakPolarHBondContact O-CA 3.42Å; S186-N200 PolarHBondContact O-ND2 3.3Å; S186-T201 PolarHBondContact N-O 2.87Å; S186-T201 PolarHBondContact O-N 2.91Å
187A95.1Very high90.7Very high73 Ų7384.6 Ų84.660%0.60345%0.447SS*.EExtended strand (participates in β ladder)trans-118.2132.4176.100000109.4S199A187-S199 WeakPolarHBondContact CA-O 3.34Å
188D94.4Very high90.7Very high94 Ų9485.3 Ų85.350%0.50345%0.45SS..EExtended strand (participates in β ladder)trans-132.9157-179.5-170.229.2000111.7S199D188-S199 PolarHBondContact N-O 2.88Å; D188-S199 VanDerWaalsContact N-O 3.1Å; D188-S199 PolarHBondContact O-N 3.29Å
189Y92.8Very high91Very high116 Ų11678.8 Ų78.846%0.45542%0.416SS..EExtended strand (participates in β ladder)trans-133.7113.4-177.4-172.7-93.9000110.4D163 E191 A196 I198D163-Y189 HydrophobicContact CB-CE2 4.16Å; D163-Y189 VanDerWaalsContact OD2-CE2 3.24Å; D163-Y189 WeakPolarHBondContact OD2-CE2 3.43Å; D163-Y189 PolarHBondContact OD2-OH 2.86Å; Y189-E191 HydrophobicContact CE1-CB 4.29Å; Y189-A196 HydrophobicContact CE2-CB 4.45Å; Y189-A196 WeakPolarHBondContact OH-CB 3.07Å; Y189-I198 HydrophobicContact CD2-CB 4.18Å
190T89.3Confident91.4Very high62 Ų6271.3 Ų71.338%0.3839%0.388SS..EExtended strand (participates in β ladder)trans-108.9125.2-17856.90000110.3A196 V197T190-A196 WeakPolarHBondContact O-CA 3.39Å; T190-V197 PolarHBondContact N-O 3.27Å; T190-V197 PolarHBondContact O-N 3.08Å; T190-V197 PolarHBondContact OG1-O 2.9Å; T190-V197 VanDerWaalsContact OG1-O 3.04Å
191E86.8Confident91.6Very high125 Ų12571.6 Ų71.658%0.58439%0.39SS*.EExtended strand (participates in β ladder)trans-121.597.5171.3-169.4-173.5178.900109.4Y189 T195Y189-E191 HydrophobicContact CE1-CB 4.29Å; E191-T195 WeakPolarHBondContact CA-O 3.33Å
192E80.4Confident91.9Very high151 Ų15169.6 Ų69.671%0.70638%0.377SS*.EExtended strand (participates in β ladder)trans-113.1135.6175.6-70.9-157.2169.800110.7N194 T195E192-N194 PolarHBondContact O-N 3.48Å; E192-N194 VanDerWaalsContact O-N 3.13Å; E192-T195 PolarHBondContact N-O 2.9Å; E192-T195 PolarHBondContact O-N 3.3Å; E192-T195 PolarHBondContact O-OG1 3.03Å
193S77.4Confident92.1Very high80 Ų8064.1 Ų64.156%0.55935%0.349SS*.THydrogen-bonded Turntrans51.835.4178.1-58.40000114.2W24 T195W24-S193 WeakPolarHBondContact CH2-O 3.34Å; W24-S193 WeakPolarHBondContact CZ2-O 3.05Å; S193-T195 PolarHBondContact O-N 2.87Å
194N78.4Confident92.3Very high92 Ų9262.6 Ų62.649%0.49234%0.339SS..THydrogen-bonded Turntrans57.230.6-172.1-45.1-36.8000113.8W24 P40 E192W24-N194 HydrophobicContact CH2-CB 4.03Å; W24-N194 WeakPolarHBondContact CH2-ND2 3.35Å; P40-N194 HydrophobicContact CB-CB 4.21Å; P40-N194 HydrophobicContact CG-CB 3.85Å; E192-N194 PolarHBondContact O-N 3.48Å; E192-N194 VanDerWaalsContact O-N 3.13Å
195T87.9Confident92.3Very high26 Ų2658.3 Ų58.316%0.1632%0.322CS..EExtended strand (participates in β ladder)trans-116.4131.5165.559.30000109.2P26 I29 N164 E191 E192 S193P26-T195 HydrophobicContact CB-CG2 3.48Å; P26-T195 VanDerWaalsContact CB-CG2 3.48Å; P26-T195 HydrophobicContact CG-CG2 4.05Å; I29-T195 HydrophobicContact CB-CG2 4.1Å; I29-T195 HydrophobicContact CD1-CG2 3.98Å; I29-T195 HydrophobicContact CG1-CG2 3.85Å; N164-T195 VanDerWaalsContact OD1-CA 3.28Å; N164-T195 WeakPolarHBondContact OD1-CA 3.44Å; E191-T195 WeakPolarHBondContact CA-O 3.33Å; E192-T195 PolarHBondContact N-O 2.9Å; E192-T195 PolarHBondContact O-N 3.3Å; E192-T195 PolarHBondContact O-OG1 3.03Å; S193-T195 PolarHBondContact O-N 2.87Å
196A90.9Very high92.3Very high8 Ų853.5 Ų53.57%0.06630%0.301CS..EExtended strand (participates in β ladder)trans-109.1136.9-173.900000111.7D163 N164 Y189 T190D163-A196 HydrophobicContact CB-CB 3.96Å; D163-A196 PolarHBondContact N-O 3.48Å; N164-A196 PolarHBondContact ND2-O 2.93Å; N164-A196 PolarHBondContact OD1-N 3.37Å; Y189-A196 HydrophobicContact CE2-CB 4.45Å; Y189-A196 WeakPolarHBondContact OH-CB 3.07Å; T190-A196 WeakPolarHBondContact O-CA 3.39Å
197V93.5Very high92.2Very high41 Ų4155.3 Ų55.325%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-138.9122174.6-178.80000108.6Y160 A161 T190Y160-V197 HydrophobicContact CD1-CG1 3.97Å; A161-V197 WeakPolarHBondContact O-CA 3.46Å; T190-V197 PolarHBondContact N-O 3.27Å; T190-V197 PolarHBondContact O-N 3.08Å; T190-V197 PolarHBondContact OG1-O 2.9Å; T190-V197 VanDerWaalsContact OG1-O 3.04Å
198I94.8Very high92.2Very high39 Ų3953.1 Ų53.120%0.228%0.276CS..EExtended strand (participates in β ladder)trans-88.7142.8166.6-173.9172.4000108.9A161 P170 I172 Y189A161-I198 HydrophobicContact CB-CG2 3.94Å; A161-I198 PolarHBondContact N-O 2.92Å; A161-I198 WeakPolarHBondContact O-CG2 3.38Å; A161-I198 PolarHBondContact O-N 3.46Å; P170-I198 HydrophobicContact CG-CG2 3.86Å; I172-I198 HydrophobicContact CD1-CG2 4.13Å; I172-I198 HydrophobicContact CG1-CG2 4.31Å; Y189-I198 HydrophobicContact CD2-CB 4.18Å
199S96.8Very high92.2Very high7 Ų754.7 Ų54.75%0.04928%0.282CS..EExtended strand (participates in β ladder)trans-131.2157.5174.764.80000112.2C159 A187 D188C159-S199 CarbonylContact O-C 3.59Å; C159-S199 WeakPolarHBondContact O-CA 3.42Å; C159-S199 WeakPolarHBondContact O-CB 3.23Å; A187-S199 WeakPolarHBondContact CA-O 3.34Å; D188-S199 PolarHBondContact N-O 2.88Å; D188-S199 VanDerWaalsContact N-O 3.1Å; D188-S199 PolarHBondContact O-N 3.29Å
200N97.9Very high92.3Very high22 Ų2249.8 Ų49.812%0.11826%0.263CS..EExtended strand (participates in β ladder)trans-136.6119.6167.4-166.6-91.1000110C159 I172 W174 S186C159-N200 PolarHBondContact N-O 2.88Å; C159-N200 PolarHBondContact O-N 2.8Å; I172-N200 HydrophobicContact CB-CB 3.96Å; I172-N200 HydrophobicContact CD1-CB 4.46Å; I172-N200 HydrophobicContact CG2-CB 3.69Å; W174-N200 PolarHBondContact NE1-O 2.9Å; W174-N200 PolarHBondContact NE1-OD1 2.95Å; S186-N200 CarbonylContact O-C 3.41Å; S186-N200 VanDerWaalsContact O-CA 3.31Å; S186-N200 WeakPolarHBondContact O-CA 3.42Å; S186-N200 PolarHBondContact O-ND2 3.3Å
201T98.1Very high92.6Very high19 Ų1949.5 Ų49.512%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-95.5129179.4-58.10000109.6E156 L157 T158 F185 S186 T203E156-T201 HydrophobicContact CG-CG2 3.36Å; L157-T201 CarbonylContact O-C 3.51Å; L157-T201 WeakPolarHBondContact O-CA 3.29Å; T158-T201 WeakPolarHBondContact CG2-OG1 3.5Å; T158-T201 WeakPolarHBondContact OG1-CG2 3.29Å; T158-T201 PolarHBondContact OG1-OG1 2.84Å; F185-T201 WeakPolarHBondContact CA-O 3.44Å; S186-T201 PolarHBondContact N-O 2.87Å; S186-T201 PolarHBondContact O-N 2.91Å; T201-T203 HydrophobicContact CG2-CG2 4.21Å
202L97.8Very high93Very high0 Ų045.7 Ų45.70%025%0.253CS..EExtended strand (participates in β ladder)trans-106126.1170.3160.761.5000108.3L157 W174 T177 L180 P183 F185 F204 L215L157-L202 PolarHBondContact N-O 3.42Å; L157-L202 PolarHBondContact O-N 3.04Å; W174-L202 HydrophobicContact CD2-CB 3.98Å; W174-L202 HydrophobicContact CD2-CD2 3.92Å; W174-L202 HydrophobicContact CE3-CD2 3.92Å; W174-L202 HydrophobicContact CG-CB 4.27Å; W174-L202 HydrophobicContact CG-CD2 4.29Å; W174-L202 HydrophobicContact CZ2-CB 3.9Å; W174-L202 HydrophobicContact CZ3-CD2 4.33Å; T177-L202 HydrophobicContact CG2-CD2 4.1Å; L180-L202 HydrophobicContact CD1-CD1 4.19Å; L180-L202 HydrophobicContact CD1-CD2 3.9Å; P183-L202 HydrophobicContact CB-CD1 3.68Å; F185-L202 HydrophobicContact CD1-CB 4.33Å; F185-L202 HydrophobicContact CD1-CD1 4.22Å; F185-L202 HydrophobicContact CE1-CB 4.31Å; F185-L202 HydrophobicContact CE1-CD1 3.72Å; F185-L202 HydrophobicContact CE1-CG 4.42Å; F185-L202 HydrophobicContact CZ-CD1 4.08Å; L202-F204 HydrophobicContact CD1-CD1 3.98Å; L202-F204 HydrophobicContact CD2-CD1 4.32Å; L202-F204 HydrophobicContact CD2-CE1 4.16Å; L202-F204 HydrophobicContact CG-CD1 3.9Å; L202-F204 HydrophobicContact CG-CE1 4.16Å; L202-L215 HydrophobicContact CD2-CD1 4.09Å
203T97.8Very high93.6Very high36 Ų3639.9 Ų39.922%0.22123%0.226CC..EExtended strand (participates in β ladder)trans-122.5129.5177.836.70000111.1L155 E156 E184 T201L155-T203 WeakPolarHBondContact O-CA 3.13Å; E156-T203 HydrophobicContact CB-CG2 4.03Å; E156-T203 HydrophobicContact CG-CG2 3.85Å; E184-T203 PolarHBondContact N-O 3.39Å; E184-T203 PolarHBondContact O-N 2.82Å; E184-T203 PolarHBondContact O-OG1 2.83Å; T201-T203 HydrophobicContact CG2-CG2 4.21Å
204F97.4Very high94.5Very high8 Ų840.4 Ų40.44%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-159.2174.3176.967.6-80.6000111.2L155 L157 L180 L202 P206 L215 L234L155-F204 HydrophobicContact CD2-CE1 3.88Å; L155-F204 HydrophobicContact CD2-CE2 4.34Å; L155-F204 HydrophobicContact CD2-CZ 3.64Å; L155-F204 HydrophobicContact CG-CE1 4.5Å; L155-F204 PolarHBondContact N-O 2.78Å; L155-F204 PolarHBondContact O-N 3.43Å; L155-F204 VanDerWaalsContact O-N 3.13Å; L157-F204 HydrophobicContact CD1-CE1 4.23Å; L180-F204 HydrophobicContact CB-CD2 4.41Å; L180-F204 HydrophobicContact CB-CG 4.5Å; L180-F204 HydrophobicContact CD1-CD1 3.86Å; L180-F204 HydrophobicContact CD1-CD2 4.39Å; L180-F204 HydrophobicContact CD1-CE1 3.83Å; L180-F204 HydrophobicContact CD1-CE2 4.37Å; L180-F204 HydrophobicContact CD1-CG 4.14Å; L180-F204 HydrophobicContact CD1-CZ 4.08Å; L180-F204 HydrophobicContact CD2-CD2 4Å; L180-F204 HydrophobicContact CD2-CE1 4.41Å; L180-F204 HydrophobicContact CD2-CE2 3.6Å; L180-F204 HydrophobicContact CD2-CZ 3.81Å; L180-F204 HydrophobicContact CG-CE2 4.47Å; L202-F204 HydrophobicContact CD1-CD1 3.98Å; L202-F204 HydrophobicContact CD2-CD1 4.32Å; L202-F204 HydrophobicContact CD2-CE1 4.16Å; L202-F204 HydrophobicContact CG-CD1 3.9Å; L202-F204 HydrophobicContact CG-CE1 4.16Å; F204-P206 HydrophobicContact CE2-CB 3.94Å; F204-L215 HydrophobicContact CE1-CD1 4.16Å; F204-L215 HydrophobicContact CZ-CD1 4.16Å; F204-L234 HydrophobicContact CE2-CD1 4.43Å; F204-L234 HydrophobicContact CZ-CD1 3.93Å
205T97.6Very high95.3Very high50 Ų5036 Ų3631%0.30720%0.199SC..  trans-107.4104.3174.5-59.70000109.9P181P181-T205 WeakPolarHBondContact CG-O 3.35Å
206P96.8Very high95.7Very high1 Ų134.8 Ų34.81%0.00619%0.191CC..  trans-62.7159.2177.226.4-36.2000112.5I149 V150 D152 E153 L155 F204 V236I149-P206 HydrophobicContact CG2-CG 4.03Å; V150-P206 WeakPolarHBondContact O-CG 3.3Å; D152-P206 PolarHBondContact N-O 2.93Å; E153-P206 WeakPolarHBondContact O-CD 3.39Å; L155-P206 HydrophobicContact CB-CG 4.14Å; F204-P206 HydrophobicContact CE2-CB 3.94Å; P206-V236 HydrophobicContact CB-CG1 4.01Å; P206-V236 HydrophobicContact CB-CG2 4.07Å
207R95.4Very high96.1Very high112 Ų11234.4 Ų34.442%0.42319%0.188SC..  trans-132.2164.7177.1-58.2-63.8-173.6156.75107.8S151 D152 M209 H210S151-R207 WeakPolarHBondContact OG-CA 3.45Å; D152-R207 WeakPolarHBondContact OD1-CD 3.09Å; D152-R207 IonicContact OD1-CZ 3.64Å; D152-R207 IonicContact OD1-NE 2.82Å; D152-R207 IonicContact OD1-NH1 3.21Å; D152-R207 PolarHBondContact OD1-NH1 2.83Å; R207-M209 HydrophobicContact CB-CE 4.42Å; R207-M209 HydrophobicContact CB-CG 4.36Å; R207-M209 PolarHBondContact O-N 3.41Å; R207-H210 PolarHBondContact N-ND1 3.48Å; R207-H210 VanDerWaalsContact N-ND1 3.15Å; R207-H210 PolarHBondContact O-N 2.97Å
208P94.9Very high96.3Very high27 Ų2735.7 Ų35.718%0.17519%0.189CC..G310 helixtrans-56.7-32.8-177.2-28.338.6000113.8S151 H210 N211 Y238S151-P208 VanDerWaalsContact OG-CD 3.24Å; S151-P208 WeakPolarHBondContact OG-CD 3.39Å; P208-H210 PolarHBondContact O-N 3.47Å; P208-N211 VanDerWaalsContact O-CB 3.28Å; P208-N211 WeakPolarHBondContact O-CB 3.26Å; P208-N211 PolarHBondContact O-N 2.95Å; P208-N211 VanDerWaalsContact O-N 3.15Å; P208-Y238 HydrophobicContact CB-CD1 3.8Å; P208-Y238 HydrophobicContact CB-CD2 3.71Å; P208-Y238 HydrophobicContact CB-CE1 4.04Å; P208-Y238 HydrophobicContact CB-CE2 3.94Å; P208-Y238 HydrophobicContact CB-CG 3.64Å; P208-Y238 HydrophobicContact CG-CD1 4.39Å; P208-Y238 HydrophobicContact CG-CD2 4.08Å; P208-Y238 HydrophobicContact CG-CG 3.88Å
209M93.1Very high96.4Very high127 Ų12733.9 Ų33.963%0.62618%0.179SC*.G310 helixtrans-70.6-11179.673.2-171.383.400114.9R207 N211R207-M209 HydrophobicContact CB-CE 4.42Å; R207-M209 HydrophobicContact CB-CG 4.36Å; R207-M209 PolarHBondContact O-N 3.41Å; M209-N211 VanDerWaalsContact C-N 3.33Å
210H94.9Very high96.3Very high13 Ų1336.2 Ų36.26%0.0619%0.187CC..G310 helixtrans-89.8-1.2173.7-47.9145.4000111.9P181 R207 P208 G212 Q213 L234 V236P181-H210 VanDerWaalsContact CD-CE1 3.47Å; P181-H210 WeakPolarHBondContact CD-CE1 3.18Å; R207-H210 PolarHBondContact N-ND1 3.48Å; R207-H210 VanDerWaalsContact N-ND1 3.15Å; R207-H210 PolarHBondContact O-N 2.97Å; P208-H210 PolarHBondContact O-N 3.47Å; H210-G212 PolarHBondContact O-N 3.36Å; H210-Q213 HydrophobicContact CB-CB 4.36Å; H210-Q213 PolarHBondContact CD2-OE1 3.45Å; H210-Q213 WeakPolarHBondContact O-CB 3.45Å; H210-Q213 PolarHBondContact O-N 3.47Å; H210-L234 HydrophobicContact CB-CD1 4.32Å; H210-V236 HydrophobicContact CB-CG2 4.37Å
211N95.7Very high96.2Very high56 Ų5635.4 Ų35.430%0.29918%0.183SC..THydrogen-bonded Turntrans-63.8129.3172.7-168.239.6000110.7P208 M209 Q213 L234 V236 Y238 N266P208-N211 VanDerWaalsContact O-CB 3.28Å; P208-N211 WeakPolarHBondContact O-CB 3.26Å; P208-N211 PolarHBondContact O-N 2.95Å; P208-N211 VanDerWaalsContact O-N 3.15Å; M209-N211 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact O-N 3.11Å; N211-L234 PolarHBondContact OD1-O 3.18Å; N211-V236 HydrophobicContact CB-CB 4.15Å; N211-V236 PolarHBondContact OD1-N 3.15Å; N211-V236 PolarHBondContact OD1-O 2.86Å; N211-Y238 HydrophobicContact CB-CE1 3.89Å; N211-N266 PolarHBondContact ND2-ND2 2.83Å; N211-N266 PolarHBondContact OD1-ND2 2.88Å
212G94.6Very high95.9Very high44 Ų4437.4 Ų37.445%0.45420%0.196SC..THydrogen-bonded Turntrans78.3-6.8-171.100000114.9H210 L214 S233 L234H210-G212 PolarHBondContact O-N 3.36Å; G212-L214 PolarHBondContact O-N 3.39Å; G212-S233 VanDerWaalsContact C-OG 3.26Å; G212-S233 WeakPolarHBondContact CA-OG 3.46Å; G212-S233 PolarHBondContact O-OG 2.92Å; G212-L234 PolarHBondContact N-O 3.15Å
213Q94.8Very high95.5Very high29 Ų2945.2 Ų45.214%0.13624%0.238CC..  trans-62.8135179.9-178.8179.5-25.500110.8Y176 H210 N211 S233 L234Y176-Q213 PolarHBondContact O-NE2 3.16Å; H210-Q213 HydrophobicContact CB-CB 4.36Å; H210-Q213 PolarHBondContact CD2-OE1 3.45Å; H210-Q213 WeakPolarHBondContact O-CB 3.45Å; H210-Q213 PolarHBondContact O-N 3.47Å; N211-Q213 PolarHBondContact O-N 3.11Å; Q213-S233 WeakPolarHBondContact O-CA 3.17Å; Q213-L234 HydrophobicContact CB-CD1 4.46Å; Q213-L234 PolarHBondContact O-N 2.95Å
214L95.3Very high95.2Very high92 Ų9246.4 Ų46.448%0.48225%0.245SC..EExtended strand (participates in β ladder)trans-79.2131.8172.6-65178.7000110.8Y176 G212 I232Y176-L214 VanDerWaalsContact CB-O 3.3Å; Y176-L214 WeakPolarHBondContact CB-O 3.42Å; G212-L214 PolarHBondContact O-N 3.39Å; L214-I232 VanDerWaalsContact CA-O 3.32Å; L214-I232 WeakPolarHBondContact CA-O 3.26Å
215L95.9Very high95Very high0 Ų052.7 Ų52.70%028%0.284CS..EExtended strand (participates in β ladder)trans-119.8151.5161.6-69.2-178000109.3L157 Y176 T177 L180 L202 F204 L231 I232 L234L157-L215 HydrophobicContact CD1-CD1 3.99Å; Y176-L215 WeakPolarHBondContact O-CD2 3.39Å; T177-L215 HydrophobicContact CG2-CD2 4.42Å; L180-L215 HydrophobicContact CD1-CD1 4.12Å; L180-L215 HydrophobicContact CD1-CD2 3.9Å; L180-L215 HydrophobicContact CD2-CD2 4.27Å; L180-L215 HydrophobicContact CG-CD2 4.23Å; L202-L215 HydrophobicContact CD2-CD1 4.09Å; F204-L215 HydrophobicContact CE1-CD1 4.16Å; F204-L215 HydrophobicContact CZ-CD1 4.16Å; L215-L231 CarbonylContact O-C 3.53Å; L215-L231 WeakPolarHBondContact O-CA 3.41Å; L215-I232 HydrophobicContact CB-CD1 4.41Å; L215-I232 HydrophobicContact CB-CG1 4.03Å; L215-I232 PolarHBondContact N-O 3.36Å; L215-I232 PolarHBondContact O-N 2.79Å; L215-L234 HydrophobicContact CD1-CD1 3.96Å; L215-L234 HydrophobicContact CD1-CD2 4.14Å; L215-L234 HydrophobicContact CD1-CG 4.25Å; L215-L234 HydrophobicContact CG-CD1 4.27Å; L215-L234 HydrophobicContact CG-CG 4.47Å
216G96.4Very high94.8Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-128.6142.7176.300000112.3W174 M175 R230W174-G216 CarbonylContact C-O 3.24Å; W174-G216 WeakPolarHBondContact CA-O 3.41Å; M175-G216 PolarHBondContact N-O 2.88Å; M175-G216 PolarHBondContact O-N 3.41Å; G216-R230 WeakPolarHBondContact CA-O 3.33Å
217C98Very high94.8Very high0 Ų054.5 Ų54.50%029%0.294CS..EExtended strand (participates in β ladder)trans-106.5135.2158.9178.80000109.6P141 I143 C159 I172 W174 E229 R230P141-C217 HydrophobicContact CG-CB 4.42Å; I143-C217 HydrophobicContact CD1-CB 3.62Å; I143-C217 HydrophobicContact CG1-CB 3.69Å; C159-C217 HydrophobicContact CB-CB 3.69Å; C159-C217 WeakPolarHBondContact CB-SG 3.46Å; C159-C217 WeakPolarHBondContact SG-CB 3.44Å; C159-C217 CovalentContact SG-SG 2.01Å; C159-C217 PolarHBondContact SG-SG 2.89Å; I172-C217 VanDerWaalsContact CG2-SG 3.57Å; W174-C217 HydrophobicContact CE3-CB 4.33Å; W174-C217 HydrophobicContact CZ3-CB 4.29Å; C217-E229 WeakPolarHBondContact O-CA 3.32Å; C217-R230 PolarHBondContact N-O 3Å; C217-R230 PolarHBondContact O-N 2.6Å
218R97.4Very high94.9Very high68 Ų6850 Ų5026%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-120.5130.7179.1-177.8173.9-169.9-117.1-4.9109.6I172 Q173 M175 Y220 V227 Y228 E229I172-R218 WeakPolarHBondContact CA-O 3.38Å; Q173-R218 HydrophobicContact CB-CB 4.38Å; Q173-R218 PolarHBondContact N-O 2.92Å; Q173-R218 WeakPolarHBondContact O-CB 3.46Å; Q173-R218 PolarHBondContact O-N 3.28Å; M175-R218 HydrophobicContact CE-CB 4.09Å; M175-R218 HydrophobicContact CG-CB 4.08Å; M175-R218 HydrophobicContact SD-CB 3.84Å; M175-R218 HydrophobicContact SD-CG 4.34Å; R218-Y220 HydrophobicContact CG-CD1 4.35Å; R218-V227 HydrophobicContact CG-CG1 4.02Å; R218-Y228 CarbonylContact C-O 3.59Å; R218-Y228 WeakPolarHBondContact CA-O 3.37Å; R218-E229 HydrophobicContact CB-CG 3.93Å; R218-E229 VanDerWaalsContact CD-OE1 3.29Å; R218-E229 WeakPolarHBondContact CD-OE1 3.47Å; R218-E229 HydrophobicContact CG-CG 3.67Å; R218-E229 IonicContact CZ-OE1 2.89Å; R218-E229 IonicContact NE-OE1 2.65Å; R218-E229 PolarHBondContact NE-OE1 2.77Å
219V97.4Very high95Very high0 Ų053.4 Ų53.40%029%0.291CS..EExtended strand (participates in β ladder)trans-116.1129.2172.2177.30000108.1P141 A161 P170 E171 I172 V227 Y228P141-V219 HydrophobicContact CB-CG2 3.66Å; P141-V219 HydrophobicContact CG-CG2 4.08Å; A161-V219 HydrophobicContact CB-CB 4.48Å; A161-V219 HydrophobicContact CB-CG1 3.81Å; A161-V219 HydrophobicContact CB-CG2 3.78Å; P170-V219 HydrophobicContact CB-CG1 3.79Å; E171-V219 WeakPolarHBondContact O-CA 3.38Å; I172-V219 HydrophobicContact CG1-CG2 4.28Å; V219-V227 CarbonylContact O-C 3.49Å; V219-V227 WeakPolarHBondContact O-CA 3.22Å; V219-Y228 PolarHBondContact N-O 2.78Å; V219-Y228 PolarHBondContact O-N 2.99Å
220Y96Very high95.2Very high56 Ų5649.7 Ų49.722%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-139.8159.9175.963.6-93.6000111.6E171 Q173 R218 P222 L226E171-Y220 HydrophobicContact CB-CD2 4.33Å; E171-Y220 HydrophobicContact CB-CE1 4.26Å; E171-Y220 HydrophobicContact CB-CE2 3.75Å; E171-Y220 HydrophobicContact CG-CE2 4.35Å; E171-Y220 PolarHBondContact N-O 2.88Å; E171-Y220 PolarHBondContact O-N 3.45Å; E171-Y220 WeakPolarHBondContact OE2-CE2 3.39Å; E171-Y220 PolarHBondContact OE2-OH 2.83Å; Q173-Y220 HydrophobicContact CB-CE1 4.07Å; R218-Y220 HydrophobicContact CG-CD1 4.35Å; Y220-P222 HydrophobicContact CD2-CG 4.3Å; Y220-P222 HydrophobicContact CE2-CG 4.06Å; Y220-L226 WeakPolarHBondContact CA-O 3.37Å
221F94.6Very high95.3Very high5 Ų553.3 Ų53.32%0.02229%0.289CS..  trans-115.6104179.8-66.1-91.3000108.8M32 M168 T169 P170 N223 T224 L226 Y228M32-F221 HydrophobicContact CB-CE2 4.1Å; M32-F221 HydrophobicContact CB-CZ 4.19Å; M32-F221 HydrophobicContact CG-CE2 3.99Å; M32-F221 HydrophobicContact CG-CZ 3.9Å; M168-F221 HydrophobicContact CB-CD1 3.73Å; M168-F221 HydrophobicContact CB-CE1 4.07Å; M168-F221 HydrophobicContact CE-CB 3.8Å; M168-F221 HydrophobicContact CE-CD1 3.93Å; M168-F221 HydrophobicContact CE-CD2 4.19Å; M168-F221 HydrophobicContact CE-CG 3.72Å; M168-F221 WeakPolarHBondContact O-CD1 3.19Å; M168-F221 VanDerWaalsContact O-CE1 3.23Å; M168-F221 WeakPolarHBondContact O-CE1 3.34Å; T169-F221 WeakPolarHBondContact O-CD1 3.36Å; P170-F221 HydrophobicContact CB-CD1 4.04Å; P170-F221 HydrophobicContact CB-CE1 3.56Å; P170-F221 HydrophobicContact CB-CE2 4.44Å; P170-F221 HydrophobicContact CB-CZ 3.8Å; P170-F221 HydrophobicContact CG-CE1 3.94Å; P170-F221 HydrophobicContact CG-CZ 4.3Å; F221-N223 PolarHBondContact O-N 2.76Å; F221-T224 HydrophobicContact CB-CG2 4.47Å; F221-T224 WeakPolarHBondContact CB-OG1 3.15Å; F221-T224 PolarHBondContact O-N 2.78Å; F221-T224 PolarHBondContact O-OG1 3.31Å; F221-L226 HydrophobicContact CD2-CB 3.89Å; F221-L226 PolarHBondContact N-O 2.85Å; F221-Y228 HydrophobicContact CD2-CE2 4.04Å; F221-Y228 HydrophobicContact CE2-CD2 4.27Å; F221-Y228 AromaticContact CE2-CE2 3.71Å; F221-Y228 HydrophobicContact CE2-CE2 3.71Å
222P91.3Very high95.3Very high61 Ų6151.5 Ų51.540%0.39628%0.279SS..THydrogen-bonded Turntrans-51.6-32.2-162.2-30.331.9000117.1E171 Y220 T224E171-P222 VanDerWaalsContact CD-CG 3.41Å; E171-P222 HydrophobicContact CG-CG 3.94Å; E171-P222 VanDerWaalsContact OE1-CG 3.23Å; E171-P222 WeakPolarHBondContact OE1-CG 3.16Å; Y220-P222 HydrophobicContact CD2-CG 4.3Å; Y220-P222 HydrophobicContact CE2-CG 4.06Å; P222-T224 VanDerWaalsContact C-N 3.32Å; P222-T224 PolarHBondContact O-N 3.16Å
223N89.4Confident95.4Very high165 Ų16552.9 Ų52.988%0.88228%0.282SS*.THydrogen-bonded Turntrans-90.112.6-178.1-65.9-52.8000113.8F221F221-N223 PolarHBondContact O-N 2.76Å
224T92Very high95.5Very high61 Ų6151.6 Ų51.637%0.37428%0.276SS..SBendtrans-141.9177.8-174.276.40000112.4M168 F221 P222 L226M168-T224 HydrophobicContact CE-CG2 3.62Å; F221-T224 HydrophobicContact CB-CG2 4.47Å; F221-T224 WeakPolarHBondContact CB-OG1 3.15Å; F221-T224 PolarHBondContact O-N 2.78Å; F221-T224 PolarHBondContact O-OG1 3.31Å; P222-T224 VanDerWaalsContact C-N 3.32Å; P222-T224 PolarHBondContact O-N 3.16Å; T224-L226 WeakPolarHBondContact OG1-CB 3.5Å; T224-L226 PolarHBondContact OG1-N 2.87Å; T224-L226 VanDerWaalsContact OG1-N 3.11Å
225T92.6Very high95.5Very high139 Ų13951.2 Ų51.285%0.85327%0.274SS*.SBendtrans-93.613.1170.961.80000113.2
226L94.7Very high95.6Very high31 Ų3151.2 Ų51.216%0.16227%0.274CS..  trans-84.4119.7-177.4-61.9-165.8000110.8N34 M168 Y220 F221 T224 Y228N34-L226 HydrophobicContact CB-CD1 4.06Å; N34-L226 HydrophobicContact CB-CD2 4.02Å; M168-L226 HydrophobicContact CE-CD1 3.55Å; M168-L226 HydrophobicContact CE-CG 4.3Å; Y220-L226 WeakPolarHBondContact CA-O 3.37Å; F221-L226 HydrophobicContact CD2-CB 3.89Å; F221-L226 PolarHBondContact N-O 2.85Å; T224-L226 WeakPolarHBondContact OG1-CB 3.5Å; T224-L226 PolarHBondContact OG1-N 2.87Å; T224-L226 VanDerWaalsContact OG1-N 3.11Å; L226-Y228 HydrophobicContact CB-CE2 3.88Å; L226-Y228 WeakPolarHBondContact CB-OH 3.39Å; L226-Y228 WeakPolarHBondContact CD1-OH 3.26Å
227V96.3Very high95.6Very high59 Ų5952.7 Ų52.736%0.35828%0.281SS..EExtended strand (participates in β ladder)trans-141.4136.6-178.9-175.90000108.4R218 V219 E229R218-V227 HydrophobicContact CG-CG1 4.02Å; V219-V227 CarbonylContact O-C 3.49Å; V219-V227 WeakPolarHBondContact O-CA 3.22Å; V227-E229 HydrophobicContact CG1-CG 4.25Å; V227-E229 WeakPolarHBondContact CG1-OE1 3.47Å
228Y97.2Very high95.6Very high18 Ų1853.9 Ų53.97%0.07129%0.285CS..EExtended strand (participates in β ladder)trans-136.5131.5-178.7-48.6-88000108.9M32 T33 D139 R218 V219 F221 L226M32-Y228 HydrophobicContact CB-CD2 4.43Å; M32-Y228 HydrophobicContact CB-CE2 4.08Å; M32-Y228 HydrophobicContact CE-CD1 3.82Å; M32-Y228 HydrophobicContact CE-CD2 3.68Å; M32-Y228 HydrophobicContact CE-CE1 4.49Å; M32-Y228 HydrophobicContact CE-CE2 4.41Å; M32-Y228 HydrophobicContact CE-CG 3.37Å; M32-Y228 HydrophobicContact CG-CD2 4.45Å; M32-Y228 HydrophobicContact CG-CE2 4.49Å; T33-Y228 PolarHBondContact O-OH 2.86Å; T33-Y228 WeakPolarHBondContact OG1-CE1 3.47Å; D139-Y228 WeakPolarHBondContact O-CD1 3.44Å; R218-Y228 CarbonylContact C-O 3.59Å; R218-Y228 WeakPolarHBondContact CA-O 3.37Å; V219-Y228 PolarHBondContact N-O 2.78Å; V219-Y228 PolarHBondContact O-N 2.99Å; F221-Y228 HydrophobicContact CD2-CE2 4.04Å; F221-Y228 HydrophobicContact CE2-CD2 4.27Å; F221-Y228 AromaticContact CE2-CE2 3.71Å; F221-Y228 HydrophobicContact CE2-CE2 3.71Å; L226-Y228 HydrophobicContact CB-CE2 3.88Å; L226-Y228 WeakPolarHBondContact CB-OH 3.39Å; L226-Y228 WeakPolarHBondContact CD1-OH 3.26Å
229E97.4Very high95.4Very high98 Ų9853.4 Ų53.446%0.45829%0.292SS..EExtended strand (participates in β ladder)trans-131.8131-172.1-72.4167.6-166.500109.1M175 C217 R218 V227M175-E229 HydrophobicContact CE-CB 4.05Å; M175-E229 HydrophobicContact CE-CG 3.76Å; M175-E229 HydrophobicContact SD-CG 4.44Å; C217-E229 WeakPolarHBondContact O-CA 3.32Å; R218-E229 HydrophobicContact CB-CG 3.93Å; R218-E229 VanDerWaalsContact CD-OE1 3.29Å; R218-E229 WeakPolarHBondContact CD-OE1 3.47Å; R218-E229 HydrophobicContact CG-CG 3.67Å; R218-E229 IonicContact CZ-OE1 2.89Å; R218-E229 IonicContact NE-OE1 2.65Å; R218-E229 PolarHBondContact NE-OE1 2.77Å; V227-E229 HydrophobicContact CG1-CG 4.25Å; V227-E229 WeakPolarHBondContact CG1-OE1 3.47Å
230R97.3Very high95.3Very high49 Ų4953.8 Ų53.819%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-119.1124.7169.5178.2172.4160.2-170.8-15.6108.1Q140 P141 N142 I143 G216 C217Q140-R230 HydrophobicContact CB-CB 4.4Å; P141-R230 HydrophobicContact CG-CB 3.82Å; P141-R230 WeakPolarHBondContact O-CD 3.11Å; N142-R230 PolarHBondContact OD1-NH1 2.86Å; I143-R230 HydrophobicContact CD1-CB 4.27Å; I143-R230 HydrophobicContact CD1-CG 4.1Å; I143-R230 PolarHBondContact O-NH1 3.33Å; I143-R230 PolarHBondContact O-NH2 2.96Å; G216-R230 WeakPolarHBondContact CA-O 3.33Å; C217-R230 PolarHBondContact N-O 3Å; C217-R230 PolarHBondContact O-N 2.6Å
231L96.8Very high94.8Very high88 Ų8857.9 Ų57.946%0.46131%0.31SS..EExtended strand (participates in β ladder)trans-99.6145.8172.5-54.4-174.5000109.9M175 Y176 L215M175-L231 HydrophobicContact CE-CD2 3.87Å; Y176-L231 HydrophobicContact CD2-CD2 4.38Å; Y176-L231 HydrophobicContact CE2-CD2 3.84Å; L215-L231 CarbonylContact O-C 3.53Å; L215-L231 WeakPolarHBondContact O-CA 3.41Å
232I96.3Very high94Very high19 Ų1959 Ų5910%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-130.6155.1172.659.6167000108.6I143 I145 L157 L214 L215I143-I232 HydrophobicContact CD1-CD1 4.45Å; I143-I232 HydrophobicContact CD1-CG1 4.38Å; I143-I232 HydrophobicContact CD1-CG2 3.94Å; I143-I232 HydrophobicContact CG2-CD1 4.29Å; I145-I232 HydrophobicContact CD1-CB 4.39Å; I145-I232 HydrophobicContact CD1-CD1 4.18Å; I145-I232 HydrophobicContact CD1-CG2 3.82Å; L157-I232 HydrophobicContact CD1-CD1 4.16Å; L214-I232 VanDerWaalsContact CA-O 3.32Å; L214-I232 WeakPolarHBondContact CA-O 3.26Å; L215-I232 HydrophobicContact CB-CD1 4.41Å; L215-I232 HydrophobicContact CB-CG1 4.03Å; L215-I232 PolarHBondContact N-O 3.36Å; L215-I232 PolarHBondContact O-N 2.79Å
233S96.3Very high93.1Very high72 Ų7256.5 Ų56.550%0.50330%0.302SS..EExtended strand (participates in β ladder)trans-111.9132.9168.4-173.60000107.9G212 Q213G212-S233 VanDerWaalsContact C-OG 3.26Å; G212-S233 WeakPolarHBondContact CA-OG 3.46Å; G212-S233 PolarHBondContact O-OG 2.92Å; Q213-S233 WeakPolarHBondContact O-CA 3.17Å
234L96.2Very high92.2Very high2 Ų256.4 Ų56.41%0.0129%0.29CS..  trans-77.4120.3-179.1-65.4175.5000110.7I149 L155 L157 F204 H210 N211 G212 Q213 L215 V236I149-L234 HydrophobicContact CD1-CD2 4.1Å; L155-L234 HydrophobicContact CD2-CD2 4.32Å; L157-L234 HydrophobicContact CD1-CD2 4.14Å; F204-L234 HydrophobicContact CE2-CD1 4.43Å; F204-L234 HydrophobicContact CZ-CD1 3.93Å; H210-L234 HydrophobicContact CB-CD1 4.32Å; N211-L234 PolarHBondContact OD1-O 3.18Å; G212-L234 PolarHBondContact N-O 3.15Å; Q213-L234 HydrophobicContact CB-CD1 4.46Å; Q213-L234 PolarHBondContact O-N 2.95Å; L215-L234 HydrophobicContact CD1-CD1 3.96Å; L215-L234 HydrophobicContact CD1-CD2 4.14Å; L215-L234 HydrophobicContact CD1-CG 4.25Å; L215-L234 HydrophobicContact CG-CD1 4.27Å; L215-L234 HydrophobicContact CG-CG 4.47Å; L234-V236 HydrophobicContact CB-CG2 3.88Å; L234-V236 PolarHBondContact O-N 3.24Å
235D96.9Very high91.4Very high84 Ų8455.5 Ų55.545%0.44928%0.284SS..  trans-95.671173.3-174.712000110K237 N266D235-K237 PolarHBondContact O-N 3.12Å; D235-K237 IonicContact OD1-NZ 3.87Å; D235-K237 PolarHBondContact OD1-NZ 3.44Å; D235-K237 IonicContact OD2-NZ 2.79Å; D235-K237 PolarHBondContact OD2-NZ 2.59Å; D235-N266 PolarHBondContact OD1-ND2 2.81Å
236V97.1Very high90.1Very high0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-76.1122.4-174.4-174.70000110.1I149 P206 H210 N211 L234 Y238 N266I149-V236 HydrophobicContact CG2-CG2 4.16Å; I149-V236 CarbonylContact O-C 3.55Å; I149-V236 WeakPolarHBondContact O-CA 3.31Å; P206-V236 HydrophobicContact CB-CG1 4.01Å; P206-V236 HydrophobicContact CB-CG2 4.07Å; H210-V236 HydrophobicContact CB-CG2 4.37Å; N211-V236 HydrophobicContact CB-CB 4.15Å; N211-V236 PolarHBondContact OD1-N 3.15Å; N211-V236 PolarHBondContact OD1-O 2.86Å; L234-V236 HydrophobicContact CB-CG2 3.88Å; L234-V236 PolarHBondContact O-N 3.24Å; V236-Y238 VanDerWaalsContact O-CD1 3.26Å; V236-Y238 WeakPolarHBondContact O-CD1 3.46Å; V236-N266 WeakPolarHBondContact O-CB 3.34Å; V236-N266 PolarHBondContact O-ND2 2.87Å
237K97.3Very high89Confident31 Ų3155.7 Ų55.714%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-86.8133.4176.2-49.2-53.7177.1-172.60110.7E148 I149 S151 D235 N266 Y311E148-K237 HydrophobicContact CG-CG 4.15Å; I149-K237 PolarHBondContact O-N 2.65Å; S151-K237 VanDerWaalsContact CB-O 3.26Å; S151-K237 WeakPolarHBondContact CB-O 3.11Å; S151-K237 PolarHBondContact N-O 3.37Å; D235-K237 PolarHBondContact O-N 3.12Å; D235-K237 IonicContact OD1-NZ 3.87Å; D235-K237 PolarHBondContact OD1-NZ 3.44Å; D235-K237 IonicContact OD2-NZ 2.79Å; D235-K237 PolarHBondContact OD2-NZ 2.59Å; K237-N266 CarbonylContact C-O 3.55Å; K237-N266 VanDerWaalsContact CA-O 3.26Å; K237-N266 WeakPolarHBondContact CA-O 3.43Å; K237-N266 PolarHBondContact NZ-OD1 2.76Å; K237-Y311 HydrophobicContact CB-CD1 4.06Å; K237-Y311 HydrophobicContact CB-CE1 3.49Å; K237-Y311 VanDerWaalsContact CB-CE1 3.49Å; K237-Y311 HydrophobicContact CB-CE2 4.36Å; K237-Y311 HydrophobicContact CG-CE1 4.14Å
238Y96.1Very high87.7Confident25 Ų2556.4 Ų56.410%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-150147.418053.8-86.1000111.1P208 N211 V236 D264 S265 N266 N309P208-Y238 HydrophobicContact CB-CD1 3.8Å; P208-Y238 HydrophobicContact CB-CD2 3.71Å; P208-Y238 HydrophobicContact CB-CE1 4.04Å; P208-Y238 HydrophobicContact CB-CE2 3.94Å; P208-Y238 HydrophobicContact CB-CG 3.64Å; P208-Y238 HydrophobicContact CG-CD1 4.39Å; P208-Y238 HydrophobicContact CG-CD2 4.08Å; P208-Y238 HydrophobicContact CG-CG 3.88Å; N211-Y238 HydrophobicContact CB-CE1 3.89Å; V236-Y238 VanDerWaalsContact O-CD1 3.26Å; V236-Y238 WeakPolarHBondContact O-CD1 3.46Å; Y238-D264 PolarHBondContact OH-OD1 2.92Å; Y238-S265 VanDerWaalsContact CE2-CA 3.42Å; Y238-N266 HydrophobicContact CD1-CB 3.88Å; Y238-N266 HydrophobicContact CE1-CB 3.47Å; Y238-N266 VanDerWaalsContact CE1-CB 3.47Å; Y238-N266 PolarHBondContact N-O 3.36Å; Y238-N266 PolarHBondContact O-N 2.89Å; Y238-N309 PolarHBondContact O-ND2 2.89Å
239S95.3Very high86.8Confident58 Ų5858.6 Ų58.641%0.40631%0.307SS..EExtended strand (participates in β ladder)trans-65.1159.4172.5530000111.8R241S239-R241 PolarHBondContact O-N 2.72Å; S239-R241 VanDerWaalsContact O-N 3.11Å
240P94.3Very high86.3Confident9 Ų958.6 Ų58.66%0.05831%0.307CS..EExtended strand (participates in β ladder)trans-50.8116.5177.4-31.539.9000113.3V263 D264 G312 M314P240-V263 HydrophobicContact CB-CG1 3.76Å; P240-V263 HydrophobicContact CG-CG1 4.2Å; P240-D264 CarbonylContact C-O 3.51Å; P240-D264 WeakPolarHBondContact CA-O 3.5Å; P240-G312 WeakPolarHBondContact CD-O 3.12Å; P240-M314 HydrophobicContact CB-CB 3.74Å
241R86.3Confident86.1Confident142 Ų14256.8 Ų56.854%0.53630%0.301SS..EExtended strand (participates in β ladder)trans-89.6-33.2-174.2176178.4178.9-178.41.3113.3S239 D264 M314S239-R241 PolarHBondContact O-N 2.72Å; S239-R241 VanDerWaalsContact O-N 3.11Å; R241-D264 HydrophobicContact CB-CB 4.44Å; R241-D264 WeakPolarHBondContact CD-OD2 3.14Å; R241-D264 PolarHBondContact N-O 2.82Å; R241-M314 VanDerWaalsContact O-SD 3.38Å
242S76.6Confident85.9Confident27 Ų2756.1 Ų56.119%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-148.8144.9179.1-1700000109.8W244 V263 D264S242-W244 VanDerWaalsContact OG-CE2 3.22Å; S242-W244 PolarHBondContact OG-NE1 2.83Å; S242-W244 VanDerWaalsContact OG-NE1 3.13Å; S242-V263 WeakPolarHBondContact O-CA 3.46Å; S242-D264 PolarHBondContact O-N 2.9Å; S242-D264 VanDerWaalsContact O-N 3.16Å
243V72.4Confident85.9Confident10 Ų1058.8 Ų58.86%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-124.9108.9170.7-174.30000106.5C261 E262 V263 C305 M314 T316V243-C261 WeakPolarHBondContact CG1-SG 3.21Å; V243-E262 WeakPolarHBondContact CA-O 3.49Å; V243-V263 HydrophobicContact CG1-CG2 4.22Å; V243-V263 HydrophobicContact CG2-CG1 4.47Å; V243-V263 HydrophobicContact CG2-CG2 4.26Å; V243-C305 HydrophobicContact CG1-CB 3.89Å; V243-M314 HydrophobicContact CG2-CB 3.97Å; V243-M314 HydrophobicContact CG2-CG 3.94Å; V243-M314 HydrophobicContact CG2-SD 4.15Å; V243-T316 HydrophobicContact CB-CG2 3.96Å; V243-T316 HydrophobicContact CG1-CG2 3.56Å; V243-T316 WeakPolarHBondContact O-CG2 3.44Å
244W71.8Confident85.7Confident163 Ų16357.7 Ų57.762%0.61731%0.308SS*.EExtended strand (participates in β ladder)trans-96.4133.4-176.6-5994.3000110.3S242 C261 E262S242-W244 VanDerWaalsContact OG-CE2 3.22Å; S242-W244 PolarHBondContact OG-NE1 2.83Å; S242-W244 VanDerWaalsContact OG-NE1 3.13Å; W244-C261 VanDerWaalsContact O-CA 3.29Å; W244-C261 WeakPolarHBondContact O-CA 3.41Å; W244-E262 PolarHBondContact N-O 2.7Å; W244-E262 PolarHBondContact O-N 2.82Å; W244-E262 VanDerWaalsContact O-N 3.16Å
245V74.2Confident85.6Confident42 Ų4259.5 Ų59.526%0.25532%0.321SS..EExtended strand (participates in β ladder)trans-122.2120.8169.3172.30000109.7V247 H260 W273 C305 T316 L318V245-V247 HydrophobicContact CG1-CG1 4.35Å; V245-H260 WeakPolarHBondContact CA-O 3.03Å; V245-W273 HydrophobicContact CB-CH2 4.41Å; V245-W273 HydrophobicContact CG1-CH2 3.91Å; V245-W273 HydrophobicContact CG2-CH2 3.53Å; V245-W273 HydrophobicContact CG2-CZ2 4.17Å; V245-W273 HydrophobicContact CG2-CZ3 4.33Å; V245-C305 HydrophobicContact CG2-CB 4.34Å; V245-T316 HydrophobicContact CB-CG2 4.29Å; V245-T316 HydrophobicContact CG2-CG2 3.48Å; V245-T316 VanDerWaalsContact CG2-CG2 3.48Å; V245-L318 HydrophobicContact CG1-CB 4.31Å; V245-L318 HydrophobicContact CG1-CD2 3.98Å
246N66.6Low85.3Confident131 Ų13159 Ų5970%0.70133%0.325SS*.EExtended strand (participates in β ladder)trans-118.997-174-178.916.7000111.1H260N246-H260 PolarHBondContact N-O 2.9Å
247V69.6Low85Confident42 Ų4259.6 Ų59.626%0.25533%0.328SS..SBendtrans-164.5166176.975.90000110.5V245 V257 T258 L259 L318V245-V247 HydrophobicContact CG1-CG1 4.35Å; V247-V257 HydrophobicContact CG2-CG2 3.34Å; V247-T258 WeakPolarHBondContact CG2-O 3.2Å; V247-L259 HydrophobicContact CB-CD2 4.44Å; V247-L259 HydrophobicContact CG1-CD2 3.87Å; V247-L259 HydrophobicContact CG2-CD2 4.24Å; V247-L318 HydrophobicContact CG1-CD2 3.28Å
248S69.8Low84.7Confident74 Ų7461 Ų6152%0.51734%0.339SS..  trans-71.5131.2165.553.90000110.5E250S248-E250 WeakPolarHBondContact CB-O 3.05Å; S248-E250 PolarHBondContact O-N 2.9Å; S248-E250 VanDerWaalsContact O-N 3.08Å; S248-E250 PolarHBondContact OG-O 2.86Å
249S77.8Confident84.4Confident64 Ų6459.8 Ų59.845%0.44834%0.335SS..SBendtrans-67.6-2.7174.455.60000114A321S249-A321 PolarHBondContact O-N 2.78Å
250E87.1Confident84.2Confident99 Ų9959.8 Ų59.846%0.46333%0.328SS..EExtended strand (participates in β ladder)trans-131.8140.6-179.1-49.5-161.1142.500109.4S248 A321 K323S248-E250 WeakPolarHBondContact CB-O 3.05Å; S248-E250 PolarHBondContact O-N 2.9Å; S248-E250 VanDerWaalsContact O-N 3.08Å; S248-E250 PolarHBondContact OG-O 2.86Å; E250-A321 WeakPolarHBondContact CA-O 3.39Å; E250-A321 HydrophobicContact CG-CB 4.43Å; E250-K323 HydrophobicContact CB-CG 4.28Å; E250-K323 WeakPolarHBondContact OE1-CE 3.43Å; E250-K323 IonicContact OE1-NZ 3.99Å; E250-K323 PolarHBondContact OE1-NZ 3.44Å; E250-K323 WeakPolarHBondContact OE2-CE 3.16Å; E250-K323 IonicContact OE2-NZ 2.84Å; E250-K323 PolarHBondContact OE2-NZ 2.84Å
251V92.7Very high84Confident11 Ų1159.3 Ų59.37%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-145.4147.4-175.4590000109.8S255 V257 V295 L320 A321 V322 K323V251-S255 VanDerWaalsContact CG2-OG 3.26Å; V251-S255 WeakPolarHBondContact CG2-OG 3.39Å; V251-V257 HydrophobicContact CG2-CB 3.95Å; V251-V257 HydrophobicContact CG2-CG1 4.23Å; V251-V295 HydrophobicContact CG1-CG1 3.9Å; V251-V295 HydrophobicContact CG2-CB 4.41Å; V251-V295 HydrophobicContact CG2-CG1 4.35Å; V251-V295 HydrophobicContact CG2-CG2 4.32Å; V251-L320 HydrophobicContact CB-CD1 4.25Å; V251-L320 HydrophobicContact CG1-CD1 3.69Å; V251-L320 HydrophobicContact CG1-CD2 4.26Å; V251-L320 HydrophobicContact CG1-CG 3.89Å; V251-A321 PolarHBondContact N-O 2.95Å; V251-V322 HydrophobicContact CG1-CG2 3.97Å; V251-V322 CarbonylContact O-C 3.54Å; V251-V322 WeakPolarHBondContact O-CA 3.22Å; V251-K323 WeakPolarHBondContact O-CB 3.18Å; V251-K323 PolarHBondContact O-N 3.39Å
252M93.9Very high84.3Confident74 Ų7457 Ų5737%0.36532%0.32SS..EExtended strand (participates in β ladder)trans-85.4144.4178-65.6-60.9-53.200111.9G254 S255 K323 H398M252-G254 PolarHBondContact O-N 2.91Å; M252-S255 PolarHBondContact N-OG 2.85Å; M252-S255 WeakPolarHBondContact O-CB 3.22Å; M252-S255 PolarHBondContact O-N 2.9Å; M252-S255 VanDerWaalsContact O-N 3.12Å; M252-S255 PolarHBondContact O-OG 2.81Å; M252-K323 CarbonylContact C-O 3.58Å; M252-K323 WeakPolarHBondContact CA-O 3.45Å; M252-K323 HydrophobicContact CE-CB 4.34Å; M252-K323 WeakPolarHBondContact CE-O 3.18Å; M252-K323 HydrophobicContact SD-CB 3.65Å; M252-H398 HydrophobicContact CE-CB 4.09Å
253E95.2Very high85.1Confident75 Ų7556 Ų5635%0.3531%0.313SS..THydrogen-bonded Turntrans-54.3133.7168.2-173.6179.7-130.600110.6S255 V295 P297 V322 K323 Y324 R327E253-S255 VanDerWaalsContact C-N 3.3Å; E253-S255 PolarHBondContact O-N 2.92Å; E253-V295 CarbonylContact C-O 3.27Å; E253-V295 VanDerWaalsContact CA-O 3.27Å; E253-V295 WeakPolarHBondContact CA-O 3.28Å; E253-P297 VanDerWaalsContact OE1-CD 3.29Å; E253-P297 WeakPolarHBondContact OE1-CD 3.13Å; E253-V322 HydrophobicContact CB-CG1 4.32Å; E253-K323 PolarHBondContact N-O 2.96Å; E253-Y324 WeakPolarHBondContact OE2-CB 3.47Å; E253-R327 IonicContact OE1-CZ 2.69Å; E253-R327 IonicContact OE1-NH2 3.67Å; E253-R327 PolarHBondContact OE1-NH2 3.13Å
254G93.5Very high86.1Confident48 Ų4858.4 Ų58.450%0.49533%0.325SS..THydrogen-bonded Turntrans74.78.7-17600000115.8M252 D294 V295M252-G254 PolarHBondContact O-N 2.91Å; G254-D294 WeakPolarHBondContact CA-OD1 3.44Å; G254-V295 PolarHBondContact N-O 3.11Å
255S92.6Very high87.2Confident41 Ų4151.4 Ų51.429%0.28730%0.301SS..  trans-102.1168.9172.773.30000112.1V251 M252 E253 D294 V295V251-S255 VanDerWaalsContact CG2-OG 3.26Å; V251-S255 WeakPolarHBondContact CG2-OG 3.39Å; M252-S255 PolarHBondContact N-OG 2.85Å; M252-S255 WeakPolarHBondContact O-CB 3.22Å; M252-S255 PolarHBondContact O-N 2.9Å; M252-S255 VanDerWaalsContact O-N 3.12Å; M252-S255 PolarHBondContact O-OG 2.81Å; E253-S255 VanDerWaalsContact C-N 3.3Å; E253-S255 PolarHBondContact O-N 2.92Å; S255-D294 PolarHBondContact O-N 3.42Å; S255-V295 WeakPolarHBondContact O-CB 3.47Å; S255-V295 VanDerWaalsContact O-CG2 3.23Å; S255-V295 WeakPolarHBondContact O-CG2 3.39Å; S255-V295 PolarHBondContact O-N 2.86Å
256S91.6Very high88.2Confident74 Ų7450.4 Ų50.452%0.51730%0.295SS..  trans-106141.9176.4-56.60000111.4L292 D293S256-L292 CarbonylContact C-O 3.52Å; S256-L292 VanDerWaalsContact CA-O 3.26Å; S256-L292 WeakPolarHBondContact CA-O 3.26Å; S256-D293 WeakPolarHBondContact CB-OD1 3.48Å; S256-D293 PolarHBondContact OG-OD1 2.82Å
257V90Very high89.5Confident12 Ų1246.3 Ų46.37%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-132.7154.8176.466.70000110.1V247 V251 L259 L292 V295 L320V247-V257 HydrophobicContact CG2-CG2 3.34Å; V251-V257 HydrophobicContact CG2-CB 3.95Å; V251-V257 HydrophobicContact CG2-CG1 4.23Å; V257-L259 HydrophobicContact CG2-CD2 4.24Å; V257-L292 HydrophobicContact CG1-CB 3.93Å; V257-L292 HydrophobicContact CG1-CD1 4.1Å; V257-L292 HydrophobicContact CG1-CG 4.41Å; V257-L292 PolarHBondContact N-O 3.16Å; V257-L292 PolarHBondContact O-N 2.9Å; V257-V295 HydrophobicContact CG1-CG2 3.94Å; V257-L320 HydrophobicContact CG1-CD2 4.24Å
258T90.9Very high90.7Very high60 Ų6048.4 Ų48.437%0.36829%0.292SS..EExtended strand (participates in β ladder)trans-135115.4174.7-66.30000109.8V247 H260 L290 S291V247-T258 WeakPolarHBondContact CG2-O 3.2Å; T258-H260 PolarHBondContact O-N 3.43Å; T258-L290 CarbonylContact C-O 3.56Å; T258-L290 WeakPolarHBondContact CA-O 3.24Å; T258-S291 WeakPolarHBondContact CG2-OG 3.47Å; T258-S291 WeakPolarHBondContact OG1-CB 3.26Å; T258-S291 PolarHBondContact OG1-OG 2.84Å
259L90.6Very high91.9Very high0 Ų044.9 Ų44.90%027%0.267CS..EExtended strand (participates in β ladder)trans-83.2104.8176.1-38-177.5000107.4V247 V257 W273 S289 L290 Y303 L318 L320V247-L259 HydrophobicContact CB-CD2 4.44Å; V247-L259 HydrophobicContact CG1-CD2 3.87Å; V247-L259 HydrophobicContact CG2-CD2 4.24Å; V257-L259 HydrophobicContact CG2-CD2 4.24Å; L259-W273 HydrophobicContact CB-CH2 3.54Å; L259-W273 HydrophobicContact CB-CZ2 3.44Å; L259-W273 VanDerWaalsContact CB-CZ2 3.44Å; L259-W273 HydrophobicContact CB-CZ3 4.3Å; L259-W273 HydrophobicContact CD1-CE3 4.46Å; L259-W273 HydrophobicContact CD1-CH2 4.12Å; L259-W273 HydrophobicContact CD1-CZ3 4.06Å; L259-W273 HydrophobicContact CG-CH2 4.49Å; L259-W273 WeakPolarHBondContact O-CZ2 3.32Å; L259-S289 WeakPolarHBondContact O-CA 3.45Å; L259-L290 HydrophobicContact CB-CB 4.43Å; L259-L290 HydrophobicContact CD1-CD2 4.24Å; L259-L290 PolarHBondContact N-O 2.8Å; L259-L290 PolarHBondContact O-N 3.09Å; L259-Y303 HydrophobicContact CD1-CD1 3.49Å; L259-Y303 VanDerWaalsContact CD1-CD1 3.49Å; L259-Y303 HydrophobicContact CD1-CD2 4.06Å; L259-Y303 HydrophobicContact CD1-CE1 4.12Å; L259-Y303 HydrophobicContact CD1-CG 3.45Å; L259-Y303 VanDerWaalsContact CD1-CG 3.45Å; L259-L318 HydrophobicContact CD2-CD2 4.12Å; L259-L320 HydrophobicContact CD2-CD1 4.49Å
260H90.4Very high92.7Very high57 Ų5746.4 Ų46.426%0.26426%0.263SS..EExtended strand (participates in β ladder)trans-84.3132.1172.3-170.357.4000110V245 N246 T258 S289V245-H260 WeakPolarHBondContact CA-O 3.03Å; N246-H260 PolarHBondContact N-O 2.9Å; T258-H260 PolarHBondContact O-N 3.43Å; H260-S289 PolarHBondContact ND1-OG 3.03Å
261C90.7Very high93.1Very high0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-118.5135.8169.4-177.10000110.9V243 W244 W273 N287 I288 C305V243-C261 WeakPolarHBondContact CG1-SG 3.21Å; W244-C261 VanDerWaalsContact O-CA 3.29Å; W244-C261 WeakPolarHBondContact O-CA 3.41Å; C261-W273 HydrophobicContact CB-CH2 4.41Å; C261-W273 HydrophobicContact CB-CZ2 3.55Å; C261-N287 CarbonylContact O-C 3.58Å; C261-N287 WeakPolarHBondContact O-CA 3.34Å; C261-I288 HydrophobicContact CB-CG2 4.11Å; C261-I288 PolarHBondContact N-O 2.84Å; C261-I288 PolarHBondContact O-N 3.38Å; C261-C305 HydrophobicContact CB-CB 3.78Å; C261-C305 WeakPolarHBondContact CB-SG 3.43Å; C261-C305 WeakPolarHBondContact SG-CB 3.33Å; C261-C305 CovalentContact SG-SG 2.03Å; C261-C305 PolarHBondContact SG-SG 3.22Å
262E92.1Very high93.2Very high92 Ų9241.3 Ų41.343%0.4324%0.239SC..EExtended strand (participates in β ladder)trans-133.8134.3174.4-180168.8-139.600110.5V243 W244 N287V243-E262 WeakPolarHBondContact CA-O 3.49Å; W244-E262 PolarHBondContact N-O 2.7Å; W244-E262 PolarHBondContact O-N 2.82Å; W244-E262 VanDerWaalsContact O-N 3.16Å; E262-N287 HydrophobicContact CB-CB 4.22Å; E262-N287 HydrophobicContact CG-CB 4.29Å
263V93.9Very high93.2Very high6 Ų637.8 Ų37.84%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-124.4122.5-173.1-174.70000111.1P240 S242 V243 P269 V271 S286P240-V263 HydrophobicContact CB-CG1 3.76Å; P240-V263 HydrophobicContact CG-CG1 4.2Å; S242-V263 WeakPolarHBondContact O-CA 3.46Å; V243-V263 HydrophobicContact CG1-CG2 4.22Å; V243-V263 HydrophobicContact CG2-CG1 4.47Å; V243-V263 HydrophobicContact CG2-CG2 4.26Å; V263-P269 HydrophobicContact CB-CG 3.81Å; V263-P269 HydrophobicContact CG1-CB 4.27Å; V263-P269 HydrophobicContact CG1-CG 3.71Å; V263-V271 HydrophobicContact CB-CG2 4.17Å; V263-V271 HydrophobicContact CG2-CB 4.47Å; V263-V271 HydrophobicContact CG2-CG1 3.83Å; V263-V271 HydrophobicContact CG2-CG2 3.72Å; V263-S286 PolarHBondContact N-O 3.26Å
264D93.6Very high93.3Very high61 Ų6135.9 Ų35.933%0.32621%0.214SC..EExtended strand (participates in β ladder)trans-88.5102.5176.8177.429.1000110.8Y238 P240 R241 S242Y238-D264 PolarHBondContact OH-OD1 2.92Å; P240-D264 CarbonylContact C-O 3.51Å; P240-D264 WeakPolarHBondContact CA-O 3.5Å; R241-D264 HydrophobicContact CB-CB 4.44Å; R241-D264 WeakPolarHBondContact CD-OD2 3.14Å; R241-D264 PolarHBondContact N-O 2.82Å; S242-D264 PolarHBondContact O-N 2.9Å; S242-D264 VanDerWaalsContact O-N 3.16Å
265S94.6Very high93.3Very high16 Ų1636.7 Ų36.711%0.11220%0.204CC..EExtended strand (participates in β ladder)trans-155.3154.8177.378.50000113.7Y238 P267 P269 N309Y238-S265 VanDerWaalsContact CE2-CA 3.42Å; S265-P267 CarbonylContact C-O 3.41Å; S265-P267 PolarHBondContact OG-O 2.95Å; S265-P269 WeakPolarHBondContact OG-CD 3.39Å; S265-P269 WeakPolarHBondContact OG-CG 3.49Å; S265-N309 WeakPolarHBondContact CB-ND2 3.37Å
266N95.4Very high93.2Very high22 Ų2236.8 Ų36.812%0.11821%0.211CC..EExtended strand (participates in β ladder)trans-130.7120.4166.1-176.414.1000109.5N211 D235 V236 K237 Y238 N309N211-N266 PolarHBondContact ND2-ND2 2.83Å; N211-N266 PolarHBondContact OD1-ND2 2.88Å; D235-N266 PolarHBondContact OD1-ND2 2.81Å; V236-N266 WeakPolarHBondContact O-CB 3.34Å; V236-N266 PolarHBondContact O-ND2 2.87Å; K237-N266 CarbonylContact C-O 3.55Å; K237-N266 VanDerWaalsContact CA-O 3.26Å; K237-N266 WeakPolarHBondContact CA-O 3.43Å; K237-N266 PolarHBondContact NZ-OD1 2.76Å; Y238-N266 HydrophobicContact CD1-CB 3.88Å; Y238-N266 HydrophobicContact CE1-CB 3.47Å; Y238-N266 VanDerWaalsContact CE1-CB 3.47Å; Y238-N266 PolarHBondContact N-O 3.36Å; Y238-N266 PolarHBondContact O-N 2.89Å; N266-N309 PolarHBondContact O-ND2 2.64Å
267P94.6Very high93.1Very high45 Ų4541.4 Ų41.429%0.29223%0.23SC..SBendcis-68.1175132.3-37.3000112.9S265 N309 Y311S265-P267 CarbonylContact C-O 3.41Å; S265-P267 PolarHBondContact OG-O 2.95Å; P267-N309 HydrophobicContact CG-CB 4.35Å; P267-N309 WeakPolarHBondContact O-CB 3.49Å; P267-N309 PolarHBondContact O-ND2 2.96Å; P267-N309 VanDerWaalsContact O-ND2 3.09Å; P267-Y311 HydrophobicContact CG-CD2 4.27Å; P267-Y311 HydrophobicContact CG-CE2 3.81Å
268S93Very high93.4Very high85 Ų8547.6 Ų47.659%0.59426%0.258SS*.PPolyproline II helixtrans-53.2135.9172.5-540000111.2
269P95.1Very high93.6Very high1 Ų148.4 Ų48.41%0.00626%0.258CS..PPolyproline II helixtrans-86.9156.6-17630.8-25.6000112.2V263 S265 V271 T284 D308 N309V263-P269 HydrophobicContact CB-CG 3.81Å; V263-P269 HydrophobicContact CG1-CB 4.27Å; V263-P269 HydrophobicContact CG1-CG 3.71Å; S265-P269 WeakPolarHBondContact OG-CD 3.39Å; S265-P269 WeakPolarHBondContact OG-CG 3.49Å; P269-V271 HydrophobicContact CB-CG2 4.19Å; P269-V271 HydrophobicContact CG-CG2 3.67Å; P269-T284 CarbonylContact O-C 3.53Å; P269-T284 WeakPolarHBondContact O-CA 3.38Å; P269-D308 CarbonylContact C-O 3.52Å; P269-D308 VanDerWaalsContact CA-O 3.31Å; P269-D308 WeakPolarHBondContact CA-O 3.18Å; P269-N309 HydrophobicContact CB-CB 4.11Å
270R95Very high93.8Very high95 Ų9551.6 Ų51.636%0.35828%0.277SS..EExtended strand (participates in β ladder)trans-69.6122.1148.9-176.9-176.3-171.7-99-1.2107.4E279 D283 G307 D308R270-E279 IonicContact CZ-OE1 2.68Å; R270-E279 IonicContact CZ-OE2 2.88Å; R270-E279 VanDerWaalsContact CZ-OE2 3.25Å; R270-E279 IonicContact NH1-OE2 2.64Å; R270-E279 PolarHBondContact NH1-OE2 3.38Å; R270-E279 IonicContact NH2-OE1 3.46Å; R270-E279 PolarHBondContact NH2-OE1 2.9Å; R270-E279 IonicContact NH2-OE2 3.96Å; R270-E279 PolarHBondContact NH2-OE2 2.86Å; R270-D283 CarbonylContact C-O 3.5Å; R270-D283 WeakPolarHBondContact CA-O 3.26Å; R270-G307 WeakPolarHBondContact O-CA 3.36Å; R270-D308 PolarHBondContact N-O 3.03Å; R270-D308 PolarHBondContact O-N 3.27Å
271V95.2Very high94Very high0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-111.4131175.2-167.50000109V263 P269 W282 D283 A285 I288 C305 V306V263-V271 HydrophobicContact CB-CG2 4.17Å; V263-V271 HydrophobicContact CG2-CB 4.47Å; V263-V271 HydrophobicContact CG2-CG1 3.83Å; V263-V271 HydrophobicContact CG2-CG2 3.72Å; P269-V271 HydrophobicContact CB-CG2 4.19Å; P269-V271 HydrophobicContact CG-CG2 3.67Å; V271-W282 CarbonylContact O-C 3.57Å; V271-W282 WeakPolarHBondContact O-CA 3.41Å; V271-D283 PolarHBondContact N-O 3.31Å; V271-D283 PolarHBondContact O-N 3.09Å; V271-A285 WeakPolarHBondContact CG2-O 3.37Å; V271-I288 HydrophobicContact CB-CG2 3.92Å; V271-I288 HydrophobicContact CG1-CG2 3.46Å; V271-I288 VanDerWaalsContact CG1-CG2 3.46Å; V271-C305 WeakPolarHBondContact CG1-SG 3.22Å; V271-V306 CarbonylContact C-O 3.52Å; V271-V306 WeakPolarHBondContact CA-O 3.49Å
272A94.9Very high94.2Very high3 Ų358.6 Ų58.63%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-133.5136.7-177.600000111.5E279 L281 W282 C305 V306A272-E279 HydrophobicContact CB-CG 4.27Å; A272-E279 WeakPolarHBondContact CB-OE2 3.5Å; A272-L281 CarbonylContact C-O 3.52Å; A272-L281 WeakPolarHBondContact CA-O 3.42Å; A272-W282 HydrophobicContact CB-CB 3.98Å; A272-C305 CarbonylContact O-C 3.53Å; A272-C305 WeakPolarHBondContact O-CA 3.41Å; A272-V306 PolarHBondContact N-O 3.26Å; A272-V306 PolarHBondContact O-N 2.87Å
273W95.4Very high94.3Very high0 Ų057.7 Ų57.70%030%0.303CS..EExtended strand (participates in β ladder)trans-96.1129.5167.6-82.9109000109.8V245 L259 C261 V280 L281 I288 L290 C305V245-W273 HydrophobicContact CB-CH2 4.41Å; V245-W273 HydrophobicContact CG1-CH2 3.91Å; V245-W273 HydrophobicContact CG2-CH2 3.53Å; V245-W273 HydrophobicContact CG2-CZ2 4.17Å; V245-W273 HydrophobicContact CG2-CZ3 4.33Å; L259-W273 HydrophobicContact CB-CH2 3.54Å; L259-W273 HydrophobicContact CB-CZ2 3.44Å; L259-W273 VanDerWaalsContact CB-CZ2 3.44Å; L259-W273 HydrophobicContact CB-CZ3 4.3Å; L259-W273 HydrophobicContact CD1-CE3 4.46Å; L259-W273 HydrophobicContact CD1-CH2 4.12Å; L259-W273 HydrophobicContact CD1-CZ3 4.06Å; L259-W273 HydrophobicContact CG-CH2 4.49Å; L259-W273 WeakPolarHBondContact O-CZ2 3.32Å; C261-W273 HydrophobicContact CB-CH2 4.41Å; C261-W273 HydrophobicContact CB-CZ2 3.55Å; W273-V280 HydrophobicContact CB-CG2 4Å; W273-V280 WeakPolarHBondContact O-CG2 3.32Å; W273-V280 PolarHBondContact O-N 3.39Å; W273-L281 HydrophobicContact CB-CB 4.35Å; W273-L281 PolarHBondContact N-O 3.39Å; W273-L281 PolarHBondContact O-N 3.08Å; W273-I288 PolarHBondContact NE1-O 2.96Å; W273-L290 HydrophobicContact CB-CD2 4.17Å; W273-L290 HydrophobicContact CD2-CB 4.32Å; W273-L290 HydrophobicContact CG-CB 4.01Å; W273-L290 HydrophobicContact CG-CD2 4.24Å; W273-C305 HydrophobicContact CD2-CB 4.16Å; W273-C305 HydrophobicContact CE3-CB 3.96Å; W273-C305 HydrophobicContact CH2-CB 4.11Å; W273-C305 HydrophobicContact CZ2-CB 4.28Å; W273-C305 HydrophobicContact CZ3-CB 3.93Å
274L95.8Very high94.2Very high36 Ų3661.8 Ų61.819%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-112.9148167.8-56.699.6000110.8Q278 E279 Y303 T304 V306L274-Q278 CarbonylContact C-O 3.59Å; L274-Q278 WeakPolarHBondContact CA-O 3.29Å; L274-E279 HydrophobicContact CD2-CB 4.4Å; L274-E279 HydrophobicContact CG-CB 4.37Å; L274-Y303 CarbonylContact O-C 3.57Å; L274-Y303 WeakPolarHBondContact O-CA 3.4Å; L274-T304 PolarHBondContact N-O 2.78Å; L274-T304 PolarHBondContact O-N 2.98Å; L274-V306 HydrophobicContact CD1-CB 4.33Å; L274-V306 HydrophobicContact CD1-CG2 3.4Å
275F94.8Very high94Very high65 Ų6560.6 Ų60.629%0.28533%0.327SS..EExtended strand (participates in β ladder)trans-115.9112.4166.2179.3-120.8000107.7D277 Q278 V280 Y303F275-D277 PolarHBondContact O-N 2.03Å; F275-Q278 PolarHBondContact N-O 2.85Å; F275-Q278 PolarHBondContact O-N 3.17Å; F275-Q278 VanDerWaalsContact O-N 3.16Å; F275-V280 HydrophobicContact CB-CG1 4.01Å; F275-Y303 HydrophobicContact CB-CD1 4.19Å; F275-Y303 HydrophobicContact CB-CE1 4.03Å; F275-Y303 AromaticContact CD2-CD1 3.87Å; F275-Y303 HydrophobicContact CD2-CD1 3.87Å; F275-Y303 AromaticContact CD2-CD2 3.91Å; F275-Y303 HydrophobicContact CD2-CD2 3.91Å; F275-Y303 AromaticContact CD2-CE1 3.49Å; F275-Y303 HydrophobicContact CD2-CE1 3.49Å; F275-Y303 VanDerWaalsContact CD2-CE1 3.49Å; F275-Y303 AromaticContact CD2-CE2 3.51Å; F275-Y303 HydrophobicContact CD2-CE2 3.51Å; F275-Y303 HydrophobicContact CD2-CG 4.07Å; F275-Y303 AromaticContact CD2-CZ 3.29Å; F275-Y303 HydrophobicContact CE2-CD2 4.2Å; F275-Y303 HydrophobicContact CE2-CE1 4.19Å; F275-Y303 AromaticContact CE2-CE2 3.5Å; F275-Y303 HydrophobicContact CE2-CE2 3.5Å; F275-Y303 AromaticContact CE2-CZ 3.5Å; F275-Y303 VanDerWaalsContact CE2-CZ 3.5Å; F275-Y303 HydrophobicContact CG-CD1 4.43Å; F275-Y303 AromaticContact CG-CE1 3.97Å; F275-Y303 HydrophobicContact CG-CE1 3.97Å
276G90.6Very high93.6Very high43 Ų4362 Ų6244%0.44334%0.337SS..THydrogen-bonded Turntrans55.2-128.9-15900000110.9I302G276-I302 PolarHBondContact N-O 2.91Å
277D89.6Confident93.3Very high171 Ų17164.6 Ų64.691%0.91435%0.351SS*.THydrogen-bonded Turntrans-86.5-3.6178.2-60-51.3000114.1F275F275-D277 PolarHBondContact O-N 2.03Å
278Q94.4Very high93.2Very high142 Ų14263.2 Ų63.266%0.66434%0.341SS*.EExtended strand (participates in β ladder)trans-97.5123.2-174.7179.8174.7-26.800112L274 F275 V280L274-Q278 CarbonylContact C-O 3.59Å; L274-Q278 WeakPolarHBondContact CA-O 3.29Å; F275-Q278 PolarHBondContact N-O 2.85Å; F275-Q278 PolarHBondContact O-N 3.17Å; F275-Q278 VanDerWaalsContact O-N 3.16Å; Q278-V280 PolarHBondContact O-N 2.87Å
279E95.4Very high93.1Very high76 Ų7661.9 Ų61.936%0.35533%0.332SS..EExtended strand (participates in β ladder)trans-66.1124.6168-170.317791.700110.7R270 A272 L274R270-E279 IonicContact CZ-OE1 2.68Å; R270-E279 IonicContact CZ-OE2 2.88Å; R270-E279 VanDerWaalsContact CZ-OE2 3.25Å; R270-E279 IonicContact NH1-OE2 2.64Å; R270-E279 PolarHBondContact NH1-OE2 3.38Å; R270-E279 IonicContact NH2-OE1 3.46Å; R270-E279 PolarHBondContact NH2-OE1 2.9Å; R270-E279 IonicContact NH2-OE2 3.96Å; R270-E279 PolarHBondContact NH2-OE2 2.86Å; A272-E279 HydrophobicContact CB-CG 4.27Å; A272-E279 WeakPolarHBondContact CB-OE2 3.5Å; L274-E279 HydrophobicContact CD2-CB 4.4Å; L274-E279 HydrophobicContact CG-CB 4.37Å
280V94.9Very high93Very high67 Ų6762.8 Ų62.841%0.40634%0.336SS..EExtended strand (participates in β ladder)trans-111.3-25.3-177.1-67.20000113.3W273 F275 Q278 L290W273-V280 HydrophobicContact CB-CG2 4Å; W273-V280 WeakPolarHBondContact O-CG2 3.32Å; W273-V280 PolarHBondContact O-N 3.39Å; F275-V280 HydrophobicContact CB-CG1 4.01Å; Q278-V280 PolarHBondContact O-N 2.87Å; V280-L290 HydrophobicContact CG2-CD2 3.77Å
281L95.3Very high92.9Very high59 Ų5961.5 Ų61.531%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-156.8143.9179.3179.764.5000109.8A272 W273 I288 S289 L290A272-L281 CarbonylContact C-O 3.52Å; A272-L281 WeakPolarHBondContact CA-O 3.42Å; W273-L281 HydrophobicContact CB-CB 4.35Å; W273-L281 PolarHBondContact N-O 3.39Å; W273-L281 PolarHBondContact O-N 3.08Å; L281-I288 HydrophobicContact CD2-CD1 3.99Å; L281-I288 HydrophobicContact CD2-CG1 4.03Å; L281-I288 HydrophobicContact CG-CD1 3.75Å; L281-I288 HydrophobicContact CG-CG1 4.36Å; L281-S289 WeakPolarHBondContact CD2-O 3.43Å; L281-L290 HydrophobicContact CB-CD1 4.29Å; L281-L290 HydrophobicContact CD2-CB 4.23Å; L281-L290 HydrophobicContact CD2-CD1 4.09Å
282W95.1Very high92.8Very high145 Ų14562.8 Ų62.855%0.54935%0.349SS..EExtended strand (participates in β ladder)trans-150.8155.5172.864.2-91.8000112V271 A272V271-W282 CarbonylContact O-C 3.57Å; V271-W282 WeakPolarHBondContact O-CA 3.41Å; A272-W282 HydrophobicContact CB-CB 3.98Å
283D93.4Very high92.7Very high73 Ų7368.4 Ų68.439%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-151.7180172.6-155.5-18.8000110R270 V271 I288R270-D283 CarbonylContact C-O 3.5Å; R270-D283 WeakPolarHBondContact CA-O 3.26Å; V271-D283 PolarHBondContact N-O 3.31Å; V271-D283 PolarHBondContact O-N 3.09Å; D283-I288 HydrophobicContact CB-CD1 3.61Å; D283-I288 HydrophobicContact CB-CG1 4.34Å
284T91.7Very high92.6Very high93 Ų9374.1 Ų74.157%0.57141%0.409SS*.SBendtrans-109.84.4172.553.50000112.8P269P269-T284 CarbonylContact O-C 3.53Å; P269-T284 WeakPolarHBondContact O-CA 3.38Å
285A89.1Confident92.5Very high35 Ų3572.4 Ų72.429%0.28940%0.4SS..SBendtrans-74.3141.9166.200000110.2V271 N287V271-A285 WeakPolarHBondContact CG2-O 3.37Å; A285-N287 WeakPolarHBondContact CB-O 3.44Å; A285-N287 PolarHBondContact O-N 2.97Å
286S87.1Confident92.5Very high47 Ų4771.8 Ų71.833%0.32940%0.402SS..SBendtrans-67.5-10.7176.454.40000113.8V263V263-S286 PolarHBondContact N-O 3.26Å
287N89.5Confident92.6Very high76 Ų7671.6 Ų71.641%0.40639%0.393SS..EExtended strand (participates in β ladder)trans-133.2141171.460.15.2000111.8C261 E262 A285C261-N287 CarbonylContact O-C 3.58Å; C261-N287 WeakPolarHBondContact O-CA 3.34Å; E262-N287 HydrophobicContact CB-CB 4.22Å; E262-N287 HydrophobicContact CG-CB 4.29Å; A285-N287 WeakPolarHBondContact CB-O 3.44Å; A285-N287 PolarHBondContact O-N 2.97Å
288I92Very high92.8Very high15 Ų1571.7 Ų71.78%0.07739%0.388CS..EExtended strand (participates in β ladder)trans-149.6135.4-174.6-165.2175.7000110.9C261 V271 W273 L281 D283C261-I288 HydrophobicContact CB-CG2 4.11Å; C261-I288 PolarHBondContact N-O 2.84Å; C261-I288 PolarHBondContact O-N 3.38Å; V271-I288 HydrophobicContact CB-CG2 3.92Å; V271-I288 HydrophobicContact CG1-CG2 3.46Å; V271-I288 VanDerWaalsContact CG1-CG2 3.46Å; W273-I288 PolarHBondContact NE1-O 2.96Å; L281-I288 HydrophobicContact CD2-CD1 3.99Å; L281-I288 HydrophobicContact CD2-CG1 4.03Å; L281-I288 HydrophobicContact CG-CD1 3.75Å; L281-I288 HydrophobicContact CG-CG1 4.36Å; D283-I288 HydrophobicContact CB-CD1 3.61Å; D283-I288 HydrophobicContact CB-CG1 4.34Å
289S91.8Very high92.8Very high57 Ų5767 Ų6740%0.39937%0.367SS..EExtended strand (participates in β ladder)trans-113.8124.3-178.3-660000111L259 H260 L281L259-S289 WeakPolarHBondContact O-CA 3.45Å; H260-S289 PolarHBondContact ND1-OG 3.03Å; L281-S289 WeakPolarHBondContact CD2-O 3.43Å
290L92.1Very high92.7Very high20 Ų2066.2 Ų66.211%0.10536%0.363CS..EExtended strand (participates in β ladder)trans-96.4107.2169.3177.461.7000109.2T258 L259 W273 V280 L281 L292 Y303T258-L290 CarbonylContact C-O 3.56Å; T258-L290 WeakPolarHBondContact CA-O 3.24Å; L259-L290 HydrophobicContact CB-CB 4.43Å; L259-L290 HydrophobicContact CD1-CD2 4.24Å; L259-L290 PolarHBondContact N-O 2.8Å; L259-L290 PolarHBondContact O-N 3.09Å; W273-L290 HydrophobicContact CB-CD2 4.17Å; W273-L290 HydrophobicContact CD2-CB 4.32Å; W273-L290 HydrophobicContact CG-CB 4.01Å; W273-L290 HydrophobicContact CG-CD2 4.24Å; V280-L290 HydrophobicContact CG2-CD2 3.77Å; L281-L290 HydrophobicContact CB-CD1 4.29Å; L281-L290 HydrophobicContact CD2-CB 4.23Å; L281-L290 HydrophobicContact CD2-CD1 4.09Å; L290-L292 HydrophobicContact CD1-CD2 4.38Å; L290-L292 HydrophobicContact CD2-CD2 4.42Å; L290-L292 HydrophobicContact CG-CD2 4.19Å; L290-Y303 HydrophobicContact CD2-CD1 3.96Å; L290-Y303 HydrophobicContact CD2-CE1 4.03Å
291S92.3Very high92.7Very high69 Ų6963.6 Ų63.648%0.48335%0.35SS..EExtended strand (participates in β ladder)trans-88.5134.2172.4-620000110.7T258T258-S291 WeakPolarHBondContact CG2-OG 3.47Å; T258-S291 WeakPolarHBondContact OG1-CB 3.26Å; T258-S291 PolarHBondContact OG1-OG 2.84Å
292L92.8Very high92.6Very high27 Ų2765 Ų6514%0.14136%0.357CS..EExtended strand (participates in β ladder)trans-121.5119.7173.7-55173000107.3S256 V257 L290 V295 Y303 L320S256-L292 CarbonylContact C-O 3.52Å; S256-L292 VanDerWaalsContact CA-O 3.26Å; S256-L292 WeakPolarHBondContact CA-O 3.26Å; V257-L292 HydrophobicContact CG1-CB 3.93Å; V257-L292 HydrophobicContact CG1-CD1 4.1Å; V257-L292 HydrophobicContact CG1-CG 4.41Å; V257-L292 PolarHBondContact N-O 3.16Å; V257-L292 PolarHBondContact O-N 2.9Å; L290-L292 HydrophobicContact CD1-CD2 4.38Å; L290-L292 HydrophobicContact CD2-CD2 4.42Å; L290-L292 HydrophobicContact CG-CD2 4.19Å; L292-V295 HydrophobicContact CB-CG2 4Å; L292-Y303 HydrophobicContact CD1-CE1 3.99Å; L292-Y303 WeakPolarHBondContact CD1-OH 3.08Å; L292-L320 HydrophobicContact CD1-CD2 3.9Å
293D92.8Very high92.6Very high121 Ų12158.4 Ų58.465%0.64733%0.332SS*.  trans-106.1152177.2-71.1-56.2000110.5S256 V295S256-D293 WeakPolarHBondContact CB-OD1 3.48Å; S256-D293 PolarHBondContact OG-OD1 2.82Å; D293-V295 VanDerWaalsContact C-N 3.35Å; D293-V295 PolarHBondContact O-N 3.2Å
294D93.7Very high92.6Very high119 Ų11956 Ų5664%0.63632%0.32SS*.SBendtrans52.748.3178.4-157.320.9000112.8G254 S255 T296G254-D294 WeakPolarHBondContact CA-OD1 3.44Å; S255-D294 PolarHBondContact O-N 3.42Å; D294-T296 WeakPolarHBondContact O-CG2 3.37Å; D294-T296 PolarHBondContact O-N 3.41Å
295V94.6Very high92.8Very high1 Ų151.5 Ų51.51%0.00629%0.293CS..  trans-57.3131.4-169.6170.30000112.1V251 E253 G254 S255 V257 L292 D293 N299 V322V251-V295 HydrophobicContact CG1-CG1 3.9Å; V251-V295 HydrophobicContact CG2-CB 4.41Å; V251-V295 HydrophobicContact CG2-CG1 4.35Å; V251-V295 HydrophobicContact CG2-CG2 4.32Å; E253-V295 CarbonylContact C-O 3.27Å; E253-V295 VanDerWaalsContact CA-O 3.27Å; E253-V295 WeakPolarHBondContact CA-O 3.28Å; G254-V295 PolarHBondContact N-O 3.11Å; S255-V295 WeakPolarHBondContact O-CB 3.47Å; S255-V295 VanDerWaalsContact O-CG2 3.23Å; S255-V295 WeakPolarHBondContact O-CG2 3.39Å; S255-V295 PolarHBondContact O-N 2.86Å; V257-V295 HydrophobicContact CG1-CG2 3.94Å; L292-V295 HydrophobicContact CB-CG2 4Å; D293-V295 VanDerWaalsContact C-N 3.35Å; D293-V295 PolarHBondContact O-N 3.2Å; V295-N299 HydrophobicContact CG1-CB 4.23Å; V295-V322 HydrophobicContact CG1-CB 4.49Å; V295-V322 HydrophobicContact CG1-CG1 4Å; V295-V322 HydrophobicContact CG1-CG2 3.63Å
296T94.9Very high93Very high52 Ų5251.2 Ų51.232%0.31929%0.287SS..  trans-117.7166.5178.972.10000111.3D294 E298 N299D294-T296 WeakPolarHBondContact O-CG2 3.37Å; D294-T296 PolarHBondContact O-N 3.41Å; T296-E298 PolarHBondContact O-N 3.29Å; T296-E298 VanDerWaalsContact O-N 3.08Å; T296-E298 PolarHBondContact OG1-N 3.16Å; T296-N299 PolarHBondContact N-OD1 3.25Å; T296-N299 WeakPolarHBondContact O-CB 3.21Å; T296-N299 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-OD1 2.71Å; T296-N299 PolarHBondContact OG1-OD1 3.48Å
297P92.9Very high93.5Very high39 Ų3949 Ų4925%0.25327%0.272SS..G310 helixtrans-59.9-14.1172-26.236.7000115.1E253 N299 E300 Y324E253-P297 VanDerWaalsContact OE1-CD 3.29Å; E253-P297 WeakPolarHBondContact OE1-CD 3.13Å; P297-N299 PolarHBondContact O-N 2.8Å; P297-E300 PolarHBondContact O-N 2.68Å; P297-Y324 HydrophobicContact CB-CE1 4.24Å; P297-Y324 HydrophobicContact CG-CD1 4.01Å; P297-Y324 HydrophobicContact CG-CE1 3.7Å
298E93.3Very high93.7Very high172 Ų17248.3 Ų48.380%0.80427%0.268SS*.G310 helixtrans-75.4-13.5171.8-59.3-173.4-18000112.6T296T296-E298 PolarHBondContact O-N 3.29Å; T296-E298 VanDerWaalsContact O-N 3.08Å; T296-E298 PolarHBondContact OG1-N 3.16Å
299N93.4Very high93.9Very high45 Ų4548.6 Ų48.624%0.24127%0.27CS..G310 helixtrans-93.5-2.4175.2-52.3109000113V295 T296 P297 Y303V295-N299 HydrophobicContact CG1-CB 4.23Å; T296-N299 PolarHBondContact N-OD1 3.25Å; T296-N299 WeakPolarHBondContact O-CB 3.21Å; T296-N299 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-OD1 2.71Å; T296-N299 PolarHBondContact OG1-OD1 3.48Å; P297-N299 PolarHBondContact O-N 2.8Å; N299-Y303 WeakPolarHBondContact O-CE2 3.35Å; N299-Y303 PolarHBondContact O-OH 3.37Å
300E94.4Very high94.1Very high58 Ų5849.1 Ų49.127%0.27129%0.285SS..  trans-71.3134.3173.7174.4150.8166.100110.8P297 Y319 L320 V322P297-E300 PolarHBondContact O-N 2.68Å; E300-Y319 HydrophobicContact CG-CE1 3.99Å; E300-Y319 WeakPolarHBondContact CG-OH 3.36Å; E300-Y319 WeakPolarHBondContact OE1-CE1 3.43Å; E300-Y319 PolarHBondContact OE1-OH 3.3Å; E300-L320 WeakPolarHBondContact CA-O 3.47Å; E300-L320 WeakPolarHBondContact CG-O 3.35Å; E300-V322 HydrophobicContact CB-CB 4.24Å; E300-V322 HydrophobicContact CB-CG2 3.85Å; E300-V322 PolarHBondContact OE2-N 3Å
301G94.3Very high94.2Very high13 Ų1352.2 Ų52.213%0.13430%0.295CS..EExtended strand (participates in β ladder)trans153.3-162.3175.900000114Y319 L320G301-Y319 WeakPolarHBondContact O-CA 3.47Å; G301-L320 PolarHBondContact N-O 2.77Å; G301-L320 PolarHBondContact O-N 2.81Å
302I94.5Very high94.3Very high89 Ų8950 Ų5046%0.45628%0.283SS..EExtended strand (participates in β ladder)trans-92.8119.8-178.4-58.5174.5000109.8G276 L318 Y319G276-I302 PolarHBondContact N-O 2.91Å; I302-L318 CarbonylContact C-O 3.59Å; I302-L318 WeakPolarHBondContact CA-O 3.49Å; I302-Y319 HydrophobicContact CG1-CD2 3.9Å
303Y94.3Very high94.4Very high5 Ų554.2 Ų54.22%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-103123.8168.9-68.1-96.5000109.2L259 L274 F275 L290 L292 N299 S317 L318 L320L259-Y303 HydrophobicContact CD1-CD1 3.49Å; L259-Y303 VanDerWaalsContact CD1-CD1 3.49Å; L259-Y303 HydrophobicContact CD1-CD2 4.06Å; L259-Y303 HydrophobicContact CD1-CE1 4.12Å; L259-Y303 HydrophobicContact CD1-CG 3.45Å; L259-Y303 VanDerWaalsContact CD1-CG 3.45Å; L274-Y303 CarbonylContact O-C 3.57Å; L274-Y303 WeakPolarHBondContact O-CA 3.4Å; F275-Y303 HydrophobicContact CB-CD1 4.19Å; F275-Y303 HydrophobicContact CB-CE1 4.03Å; F275-Y303 AromaticContact CD2-CD1 3.87Å; F275-Y303 HydrophobicContact CD2-CD1 3.87Å; F275-Y303 AromaticContact CD2-CD2 3.91Å; F275-Y303 HydrophobicContact CD2-CD2 3.91Å; F275-Y303 AromaticContact CD2-CE1 3.49Å; F275-Y303 HydrophobicContact CD2-CE1 3.49Å; F275-Y303 VanDerWaalsContact CD2-CE1 3.49Å; F275-Y303 AromaticContact CD2-CE2 3.51Å; F275-Y303 HydrophobicContact CD2-CE2 3.51Å; F275-Y303 HydrophobicContact CD2-CG 4.07Å; F275-Y303 AromaticContact CD2-CZ 3.29Å; F275-Y303 HydrophobicContact CE2-CD2 4.2Å; F275-Y303 HydrophobicContact CE2-CE1 4.19Å; F275-Y303 AromaticContact CE2-CE2 3.5Å; F275-Y303 HydrophobicContact CE2-CE2 3.5Å; F275-Y303 AromaticContact CE2-CZ 3.5Å; F275-Y303 VanDerWaalsContact CE2-CZ 3.5Å; F275-Y303 HydrophobicContact CG-CD1 4.43Å; F275-Y303 AromaticContact CG-CE1 3.97Å; F275-Y303 HydrophobicContact CG-CE1 3.97Å; L290-Y303 HydrophobicContact CD2-CD1 3.96Å; L290-Y303 HydrophobicContact CD2-CE1 4.03Å; L292-Y303 HydrophobicContact CD1-CE1 3.99Å; L292-Y303 WeakPolarHBondContact CD1-OH 3.08Å; N299-Y303 WeakPolarHBondContact O-CE2 3.35Å; N299-Y303 PolarHBondContact O-OH 3.37Å; Y303-S317 WeakPolarHBondContact O-CA 3.32Å; Y303-L318 PolarHBondContact N-O 3.39Å; Y303-L318 PolarHBondContact O-N 3.42Å; Y303-L320 HydrophobicContact CD2-CB 3.83Å; Y303-L320 HydrophobicContact CD2-CD2 4.31Å; Y303-L320 HydrophobicContact CE2-CB 3.77Å; Y303-L320 HydrophobicContact CE2-CD2 3.66Å; Y303-L320 HydrophobicContact CE2-CG 4.37Å
304T94.3Very high94.4Very high22 Ų2251.9 Ų51.914%0.13529%0.291CS..EExtended strand (participates in β ladder)trans-114.9123.7-179.2-60.70000109.4L274 V306 N315 T316 S317L274-T304 PolarHBondContact N-O 2.78Å; L274-T304 PolarHBondContact O-N 2.98Å; T304-V306 HydrophobicContact CG2-CG2 4.02Å; T304-N315 HydrophobicContact CG2-CB 4.06Å; T304-T316 CarbonylContact C-O 3.48Å; T304-T316 WeakPolarHBondContact CA-O 3.47Å; T304-S317 WeakPolarHBondContact CG2-OG 3.32Å; T304-S317 PolarHBondContact OG1-OG 2.89Å
305C94.6Very high94.4Very high0 Ų050.8 Ų50.80%029%0.285CS..EExtended strand (participates in β ladder)trans-93.6133.5166.9-172.70000109.5V243 V245 C261 V271 A272 W273 N315 T316V243-C305 HydrophobicContact CG1-CB 3.89Å; V245-C305 HydrophobicContact CG2-CB 4.34Å; C261-C305 HydrophobicContact CB-CB 3.78Å; C261-C305 WeakPolarHBondContact CB-SG 3.43Å; C261-C305 WeakPolarHBondContact SG-CB 3.33Å; C261-C305 CovalentContact SG-SG 2.03Å; C261-C305 PolarHBondContact SG-SG 3.22Å; V271-C305 WeakPolarHBondContact CG1-SG 3.22Å; A272-C305 CarbonylContact O-C 3.53Å; A272-C305 WeakPolarHBondContact O-CA 3.41Å; W273-C305 HydrophobicContact CD2-CB 4.16Å; W273-C305 HydrophobicContact CE3-CB 3.96Å; W273-C305 HydrophobicContact CH2-CB 4.11Å; W273-C305 HydrophobicContact CZ2-CB 4.28Å; W273-C305 HydrophobicContact CZ3-CB 3.93Å; C305-N315 CarbonylContact O-C 3.56Å; C305-N315 WeakPolarHBondContact O-CA 3.3Å; C305-N315 VanDerWaalsContact O-CB 3.26Å; C305-N315 WeakPolarHBondContact O-CB 3.39Å; C305-T316 PolarHBondContact N-O 3.25Å; C305-T316 PolarHBondContact O-N 3.06Å
306V94.6Very high94.3Very high29 Ų2953 Ų5318%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-122.3129.8178.3-175.80000108.9V271 A272 L274 T304 I313 N315V271-V306 CarbonylContact C-O 3.52Å; V271-V306 WeakPolarHBondContact CA-O 3.49Å; A272-V306 PolarHBondContact N-O 3.26Å; A272-V306 PolarHBondContact O-N 2.87Å; L274-V306 HydrophobicContact CD1-CB 4.33Å; L274-V306 HydrophobicContact CD1-CG2 3.4Å; T304-V306 HydrophobicContact CG2-CG2 4.02Å; V306-I313 HydrophobicContact CG1-CG2 3.62Å; V306-N315 HydrophobicContact CB-CB 4.34Å; V306-N315 HydrophobicContact CG1-CB 4.48Å; V306-N315 HydrophobicContact CG2-CB 3.84Å
307G95.9Very high94.2Very high0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-110.5132.316700000110.6R270 I313 M314R270-G307 WeakPolarHBondContact O-CA 3.36Å; G307-I313 WeakPolarHBondContact O-CA 3.39Å; G307-M314 PolarHBondContact N-O 3.15Å; G307-M314 PolarHBondContact O-N 2.84Å
308D95.4Very high94.1Very high62 Ų6253.5 Ų53.533%0.33230%0.303SS..EExtended strand (participates in β ladder)trans-134.6126.1174.6176.86000109P269 R270 G310 I313P269-D308 CarbonylContact C-O 3.52Å; P269-D308 VanDerWaalsContact CA-O 3.31Å; P269-D308 WeakPolarHBondContact CA-O 3.18Å; R270-D308 PolarHBondContact N-O 3.03Å; R270-D308 PolarHBondContact O-N 3.27Å; D308-G310 PolarHBondContact OD1-N 2.87Å; D308-I313 HydrophobicContact CB-CD1 4.5Å; D308-I313 HydrophobicContact CB-CG1 3.95Å
309N95.7Very high94Very high20 Ų2051.1 Ų51.111%0.10729%0.287CS..  trans-121.613.1174.680.1-14.7000114.1Y238 S265 N266 P267 P269 Y311 G312Y238-N309 PolarHBondContact O-ND2 2.89Å; S265-N309 WeakPolarHBondContact CB-ND2 3.37Å; N266-N309 PolarHBondContact O-ND2 2.64Å; P267-N309 HydrophobicContact CG-CB 4.35Å; P267-N309 WeakPolarHBondContact O-CB 3.49Å; P267-N309 PolarHBondContact O-ND2 2.96Å; P267-N309 VanDerWaalsContact O-ND2 3.09Å; P269-N309 HydrophobicContact CB-CB 4.11Å; N309-Y311 VanDerWaalsContact C-N 3.25Å; N309-Y311 WeakPolarHBondContact O-CD2 3.49Å; N309-Y311 PolarHBondContact O-N 3.07Å; N309-Y311 WeakPolarHBondContact OD1-CB 3.27Å; N309-Y311 PolarHBondContact OD1-N 3.15Å; N309-Y311 VanDerWaalsContact OD1-N 3.09Å; N309-G312 PolarHBondContact N-O 2.82Å
310G95.3Very high94Very high69 Ų6949 Ų4971%0.71128%0.276SS*.SBendtrans83.6-22.7-176.900000115.4D308D308-G310 PolarHBondContact OD1-N 2.87Å
311Y94.1Very high94Very high84 Ų8446.8 Ų46.833%0.32927%0.267SS..SBendtrans-86.8-20.7172.4-61.6-103.2000111.4E148 V150 K237 P267 N309E148-Y311 VanDerWaalsContact OE1-CE1 3.32Å; E148-Y311 WeakPolarHBondContact OE1-CE1 3.28Å; E148-Y311 PolarHBondContact OE1-OH 3.45Å; V150-Y311 HydrophobicContact CG1-CD1 4.39Å; V150-Y311 HydrophobicContact CG2-CE1 4.32Å; K237-Y311 HydrophobicContact CB-CD1 4.06Å; K237-Y311 HydrophobicContact CB-CE1 3.49Å; K237-Y311 VanDerWaalsContact CB-CE1 3.49Å; K237-Y311 HydrophobicContact CB-CE2 4.36Å; K237-Y311 HydrophobicContact CG-CE1 4.14Å; P267-Y311 HydrophobicContact CG-CD2 4.27Å; P267-Y311 HydrophobicContact CG-CE2 3.81Å; N309-Y311 VanDerWaalsContact C-N 3.25Å; N309-Y311 WeakPolarHBondContact O-CD2 3.49Å; N309-Y311 PolarHBondContact O-N 3.07Å; N309-Y311 WeakPolarHBondContact OD1-CB 3.27Å; N309-Y311 PolarHBondContact OD1-N 3.15Å; N309-Y311 VanDerWaalsContact OD1-N 3.09Å
312G94.1Very high94Very high22 Ų2246.1 Ų46.123%0.22726%0.261CS..  trans175.8175.6172.400000112P240 N309P240-G312 WeakPolarHBondContact CD-O 3.12Å; N309-G312 PolarHBondContact N-O 2.82Å
313I94.6Very high94Very high117 Ų11743 Ų4360%0.624%0.244SC*.EExtended strand (participates in β ladder)trans-126.3132.5-178.2-53.5179.7000108.2V306 G307 D308V306-I313 HydrophobicContact CG1-CG2 3.62Å; G307-I313 WeakPolarHBondContact O-CA 3.39Å; D308-I313 HydrophobicContact CB-CD1 4.5Å; D308-I313 HydrophobicContact CB-CG1 3.95Å
314M93.8Very high94.1Very high72 Ų7243.5 Ų43.536%0.35525%0.246SC..EExtended strand (participates in β ladder)trans-130150.9169.8-167.2-177.9-17500109.7P240 R241 V243 G307P240-M314 HydrophobicContact CB-CB 3.74Å; R241-M314 VanDerWaalsContact O-SD 3.38Å; V243-M314 HydrophobicContact CG2-CB 3.97Å; V243-M314 HydrophobicContact CG2-CG 3.94Å; V243-M314 HydrophobicContact CG2-SD 4.15Å; G307-M314 PolarHBondContact N-O 3.15Å; G307-M314 PolarHBondContact O-N 2.84Å
315N93.8Very high94.2Very high96 Ų9645 Ų4551%0.51326%0.256SS..EExtended strand (participates in β ladder)trans-139.1163.5174.563.221.6000112.1T304 C305 V306T304-N315 HydrophobicContact CG2-CB 4.06Å; C305-N315 CarbonylContact O-C 3.56Å; C305-N315 WeakPolarHBondContact O-CA 3.3Å; C305-N315 VanDerWaalsContact O-CB 3.26Å; C305-N315 WeakPolarHBondContact O-CB 3.39Å; V306-N315 HydrophobicContact CB-CB 4.34Å; V306-N315 HydrophobicContact CG1-CB 4.48Å; V306-N315 HydrophobicContact CG2-CB 3.84Å
316T92.8Very high94.3Very high48 Ų4845.4 Ų45.429%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-142.2152.3168.6-160.40000109.1V243 V245 T304 C305V243-T316 HydrophobicContact CB-CG2 3.96Å; V243-T316 HydrophobicContact CG1-CG2 3.56Å; V243-T316 WeakPolarHBondContact O-CG2 3.44Å; V245-T316 HydrophobicContact CB-CG2 4.29Å; V245-T316 HydrophobicContact CG2-CG2 3.48Å; V245-T316 VanDerWaalsContact CG2-CG2 3.48Å; T304-T316 CarbonylContact C-O 3.48Å; T304-T316 WeakPolarHBondContact CA-O 3.47Å; C305-T316 PolarHBondContact N-O 3.25Å; C305-T316 PolarHBondContact O-N 3.06Å
317S92.1Very high94.3Very high71 Ų7149 Ų4950%0.49727%0.269SS..EExtended strand (participates in β ladder)trans-131.2138.8-175.3-58.60000111.9Y303 T304Y303-S317 WeakPolarHBondContact O-CA 3.32Å; T304-S317 WeakPolarHBondContact CG2-OG 3.32Å; T304-S317 PolarHBondContact OG1-OG 2.89Å
318L90.8Very high94.3Very high29 Ų2956.4 Ų56.415%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-119.5136.7176.9173.972000108.9V245 V247 L259 I302 Y303V245-L318 HydrophobicContact CG1-CB 4.31Å; V245-L318 HydrophobicContact CG1-CD2 3.98Å; V247-L318 HydrophobicContact CG1-CD2 3.28Å; L259-L318 HydrophobicContact CD2-CD2 4.12Å; I302-L318 CarbonylContact C-O 3.59Å; I302-L318 WeakPolarHBondContact CA-O 3.49Å; Y303-L318 PolarHBondContact N-O 3.39Å; Y303-L318 PolarHBondContact O-N 3.42Å
319Y92.2Very high94.3Very high122 Ų12253.7 Ų53.748%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-89.5124.1161.1-167.8-84.8000109.1E300 G301 I302 A321E300-Y319 HydrophobicContact CG-CE1 3.99Å; E300-Y319 WeakPolarHBondContact CG-OH 3.36Å; E300-Y319 WeakPolarHBondContact OE1-CE1 3.43Å; E300-Y319 PolarHBondContact OE1-OH 3.3Å; G301-Y319 WeakPolarHBondContact O-CA 3.47Å; I302-Y319 HydrophobicContact CG1-CD2 3.9Å; Y319-A321 HydrophobicContact CD1-CB 4.11Å; Y319-A321 HydrophobicContact CE1-CB 3.93Å
320L93.2Very high94.2Very high0 Ų057.7 Ų57.70%031%0.314CS..EExtended strand (participates in β ladder)trans-100.7105.8174-177.570000108.7V251 V257 L259 L292 E300 G301 Y303V251-L320 HydrophobicContact CB-CD1 4.25Å; V251-L320 HydrophobicContact CG1-CD1 3.69Å; V251-L320 HydrophobicContact CG1-CD2 4.26Å; V251-L320 HydrophobicContact CG1-CG 3.89Å; V257-L320 HydrophobicContact CG1-CD2 4.24Å; L259-L320 HydrophobicContact CD2-CD1 4.49Å; L292-L320 HydrophobicContact CD1-CD2 3.9Å; E300-L320 WeakPolarHBondContact CA-O 3.47Å; E300-L320 WeakPolarHBondContact CG-O 3.35Å; G301-L320 PolarHBondContact N-O 2.77Å; G301-L320 PolarHBondContact O-N 2.81Å; Y303-L320 HydrophobicContact CD2-CB 3.83Å; Y303-L320 HydrophobicContact CD2-CD2 4.31Å; Y303-L320 HydrophobicContact CE2-CB 3.77Å; Y303-L320 HydrophobicContact CE2-CD2 3.66Å; Y303-L320 HydrophobicContact CE2-CG 4.37Å
321A93.1Very high94.1Very high12 Ų1255.9 Ų55.910%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-88.9127.1176.800000111.1S249 E250 V251 Y319S249-A321 PolarHBondContact O-N 2.78Å; E250-A321 WeakPolarHBondContact CA-O 3.39Å; E250-A321 HydrophobicContact CG-CB 4.43Å; V251-A321 PolarHBondContact N-O 2.95Å; Y319-A321 HydrophobicContact CD1-CB 4.11Å; Y319-A321 HydrophobicContact CE1-CB 3.93Å
322V95.3Very high93.8Very high0 Ų054.4 Ų54.40%029%0.287CS..EExtended strand (participates in β ladder)trans-97.9122.6-179.7-178.70000109.4V251 E253 V295 E300 S352V251-V322 HydrophobicContact CG1-CG2 3.97Å; V251-V322 CarbonylContact O-C 3.54Å; V251-V322 WeakPolarHBondContact O-CA 3.22Å; E253-V322 HydrophobicContact CB-CG1 4.32Å; V295-V322 HydrophobicContact CG1-CB 4.49Å; V295-V322 HydrophobicContact CG1-CG1 4Å; V295-V322 HydrophobicContact CG1-CG2 3.63Å; E300-V322 HydrophobicContact CB-CB 4.24Å; E300-V322 HydrophobicContact CB-CG2 3.85Å; E300-V322 PolarHBondContact OE2-N 3Å; V322-S352 WeakPolarHBondContact O-CB 3.3Å; V322-S352 PolarHBondContact O-OG 3.41Å
323K95Very high93.3Very high22 Ų2260.3 Ų60.310%0.09631%0.314CS..EExtended strand (participates in β ladder)trans-104.5134.1-171.9-57.9-65.2-178.5157.80110.9E250 V251 M252 E253 S352E250-K323 HydrophobicContact CB-CG 4.28Å; E250-K323 WeakPolarHBondContact OE1-CE 3.43Å; E250-K323 IonicContact OE1-NZ 3.99Å; E250-K323 PolarHBondContact OE1-NZ 3.44Å; E250-K323 WeakPolarHBondContact OE2-CE 3.16Å; E250-K323 IonicContact OE2-NZ 2.84Å; E250-K323 PolarHBondContact OE2-NZ 2.84Å; V251-K323 WeakPolarHBondContact O-CB 3.18Å; V251-K323 PolarHBondContact O-N 3.39Å; M252-K323 CarbonylContact C-O 3.58Å; M252-K323 WeakPolarHBondContact CA-O 3.45Å; M252-K323 HydrophobicContact CE-CB 4.34Å; M252-K323 WeakPolarHBondContact CE-O 3.18Å; M252-K323 HydrophobicContact SD-CB 3.65Å; E253-K323 PolarHBondContact N-O 2.96Å; K323-S352 CarbonylContact C-O 3.53Å; K323-S352 WeakPolarHBondContact CA-O 3.32Å
324Y95.6Very high93Very high16 Ų1659.1 Ų59.16%0.06332%0.316CS..BIsolated β-bridgetrans-154.2148.1-179.254.6-83.7000112E253 P297 M350 G351 S352 N396E253-Y324 WeakPolarHBondContact OE2-CB 3.47Å; P297-Y324 HydrophobicContact CB-CE1 4.24Å; P297-Y324 HydrophobicContact CG-CD1 4.01Å; P297-Y324 HydrophobicContact CG-CE1 3.7Å; Y324-M350 HydrophobicContact CE2-CB 4.25Å; Y324-G351 VanDerWaalsContact CE2-CA 3.45Å; Y324-S352 PolarHBondContact N-O 3.31Å; Y324-S352 PolarHBondContact O-N 2.83Å; Y324-S352 VanDerWaalsContact O-N 3.16Å; Y324-N396 PolarHBondContact O-ND2 2.83Å
325P95.8Very high92.8Very high54 Ų5458 Ų5835%0.35131%0.31SS..PPolyproline II helixtrans-62.6162.1174.229.2-36.7000111.3R327 H398P325-R327 PolarHBondContact O-N 2.92Å; P325-H398 HydrophobicContact CB-CB 4.46Å
326P96.3Very high92.7Very high8 Ų857.7 Ų57.75%0.05231%0.312CS..PPolyproline II helixtrans-63.7133.6-179.7-1732.4000110.3M350 P355 A394 N396 G399 A401P326-M350 WeakPolarHBondContact CA-O 3.24Å; P326-P355 HydrophobicContact CB-CB 4.14Å; P326-P355 HydrophobicContact CB-CG 4.45Å; P326-P355 HydrophobicContact CG-CB 3.96Å; P326-A394 HydrophobicContact CB-CB 3.76Å; P326-A394 HydrophobicContact CG-CB 4.36Å; P326-N396 WeakPolarHBondContact CD-OD1 3.35Å; P326-N396 HydrophobicContact CG-CB 4.22Å; P326-G399 VanDerWaalsContact CD-C 3.44Å; P326-G399 WeakPolarHBondContact CD-O 3.2Å; P326-A401 VanDerWaalsContact O-CB 3.28Å; P326-A401 WeakPolarHBondContact O-CB 3.28Å
327R95.4Very high92.7Very high106 Ų10656.1 Ų56.140%0.430%0.302SS..PPolyproline II helixtrans-69.8162.5174.7-64.9-176.1174.3175.1-5.2110.1E253 P325 P329 T349 M350 A401E253-R327 IonicContact OE1-CZ 2.69Å; E253-R327 IonicContact OE1-NH2 3.67Å; E253-R327 PolarHBondContact OE1-NH2 3.13Å; P325-R327 PolarHBondContact O-N 2.92Å; R327-P329 VanDerWaalsContact O-CD 3.3Å; R327-P329 WeakPolarHBondContact O-CD 3.38Å; R327-T349 PolarHBondContact N-OG1 3.11Å; R327-T349 PolarHBondContact O-OG1 3.22Å; R327-M350 PolarHBondContact N-O 3Å; R327-A401 WeakPolarHBondContact O-CB 3.09Å
328E95.9Very high92.8Very high154 Ų15455.4 Ų55.472%0.7230%0.295SS*.PPolyproline II helixtrans-58.7120.8179.8-171.8167.3-165.800110.4V330E328-V330 PolarHBondContact O-N 2.85Å
329P95.3Very high92.9Very high5 Ų558.7 Ų58.73%0.03231%0.309CS..PPolyproline II helixtrans-68.9132.7-172.5-21.433.4000113R327 V331 T349 A394 A403R327-P329 VanDerWaalsContact O-CD 3.3Å; R327-P329 WeakPolarHBondContact O-CD 3.38Å; P329-V331 PolarHBondContact O-N 3.34Å; P329-T349 HydrophobicContact CB-CG2 4.48Å; P329-T349 HydrophobicContact CG-CG2 4.35Å; P329-A394 HydrophobicContact CG-CB 3.92Å; P329-A403 WeakPolarHBondContact O-CB 3.4Å
330V94.3Very high92.9Very high104 Ų10454.9 Ų54.963%0.6331%0.307SS*.EExtended strand (participates in β ladder)trans-78.5114.8170.3-176.60000108.1E328 C347 N348E328-V330 PolarHBondContact O-N 2.85Å; V330-C347 WeakPolarHBondContact O-CA 3.34Å; V330-N348 PolarHBondContact N-O 2.86Å; V330-N348 PolarHBondContact O-N 3.09Å
331V93.6Very high92.9Very high31 Ų3156.9 Ų56.919%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-114164.5172.3-63.20000110.3P329 H346 C347 W359 C392 A403 L405P329-V331 PolarHBondContact O-N 3.34Å; V331-H346 WeakPolarHBondContact CA-O 3.48Å; V331-C347 HydrophobicContact CG1-CB 4.06Å; V331-W359 HydrophobicContact CG1-CH2 4.16Å; V331-C392 HydrophobicContact CG1-CB 3.87Å; V331-A403 HydrophobicContact CG1-CB 4.22Å; V331-A403 HydrophobicContact CG2-CB 3.83Å; V331-L405 HydrophobicContact CB-CD2 4.07Å; V331-L405 HydrophobicContact CG2-CD2 4.21Å
332N86.5Confident92.8Very high53 Ų5359.4 Ų59.428%0.28334%0.338SS..PPolyproline II helixtrans-60.9151.1171.8-60.892000112.1M335 H346 L405N332-M335 HydrophobicContact CB-CE 3.48Å; N332-M335 VanDerWaalsContact CB-CE 3.48Å; N332-H346 PolarHBondContact OD1-N 3.42Å; N332-H346 PolarHBondContact OD1-O 3.46Å; N332-L405 VanDerWaalsContact O-CB 3.3Å; N332-L405 WeakPolarHBondContact O-CB 3.47Å
333D83.7Confident92.6Very high147 Ų14760.5 Ų60.579%0.78634%0.344SS*.PPolyproline II helixtrans-57.4163.7166.5-68.2-58.9000112.6M335D333-M335 WeakPolarHBondContact O-CG 3.45Å; D333-M335 PolarHBondContact O-N 3.31Å
334S88.1Confident92.3Very high91 Ų9161.5 Ų61.564%0.63635%0.353SS*.PPolyproline II helixtrans-56.2131.7175.856.30000112.4N406S334-N406 CarbonylContact C-O 3.59Å; S334-N406 VanDerWaalsContact CA-O 3.28Å; S334-N406 WeakPolarHBondContact CA-O 3.36Å
335M89.5Confident92.1Very high49 Ų4960.7 Ų60.724%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-112.4131.3-174.8-59.8-167.8-177.100112.6N332 D333 V337 L345 N406 I407 T408N332-M335 HydrophobicContact CB-CE 3.48Å; N332-M335 VanDerWaalsContact CB-CE 3.48Å; D333-M335 WeakPolarHBondContact O-CG 3.45Å; D333-M335 PolarHBondContact O-N 3.31Å; M335-V337 HydrophobicContact CB-CG1 3.88Å; M335-L345 HydrophobicContact CE-CD2 4.26Å; M335-L345 HydrophobicContact SD-CD2 4.23Å; M335-N406 PolarHBondContact N-O 3.22Å; M335-I407 WeakPolarHBondContact O-CA 3.45Å; M335-T408 PolarHBondContact O-N 3Å
336T91.6Very high91.9Very high90 Ų9062.1 Ų62.155%0.55235%0.352SS*.EExtended strand (participates in β ladder)trans-102127.3163.7-53.70000108.9T408 E410T336-T408 WeakPolarHBondContact CA-O 3.44Å; T336-T408 HydrophobicContact CG2-CG2 4.42Å; T336-E410 HydrophobicContact CG2-CG 3.68Å; T336-E410 WeakPolarHBondContact CG2-OE2 3.36Å
337V93.3Very high91.7Very high15 Ų1561.8 Ų61.89%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-142.6143.7-164.4-58.70000111.2M335 L343 I382 I407 T408 V409 E410M335-V337 HydrophobicContact CB-CG1 3.88Å; V337-L343 HydrophobicContact CB-CD2 4.12Å; V337-L343 HydrophobicContact CG1-CD1 4.12Å; V337-L343 HydrophobicContact CG1-CD2 3.63Å; V337-L343 HydrophobicContact CG2-CD1 4.2Å; V337-I382 HydrophobicContact CG2-CD1 4.22Å; V337-I382 HydrophobicContact CG2-CG2 4.17Å; V337-I407 HydrophobicContact CG2-CG2 3.93Å; V337-T408 PolarHBondContact N-O 3.1Å; V337-V409 HydrophobicContact CG2-CB 4.46Å; V337-V409 HydrophobicContact CG2-CG2 3.98Å; V337-V409 CarbonylContact O-C 3.49Å; V337-V409 WeakPolarHBondContact O-CA 3.2Å; V337-E410 PolarHBondContact O-N 2.83Å
338V93.9Very high91.7Very high56 Ų5660.4 Ų60.434%0.33935%0.35SS..EExtended strand (participates in β ladder)trans-84.7141.3179.9-173.80000110.5G340 S341 E410 Y501V338-G340 PolarHBondContact O-N 2.65Å; V338-S341 WeakPolarHBondContact O-CB 3.27Å; V338-S341 PolarHBondContact O-N 2.86Å; V338-S341 PolarHBondContact O-OG 3.48Å; V338-E410 CarbonylContact C-O 3.6Å; V338-E410 WeakPolarHBondContact CA-O 3.27Å; V338-Y501 HydrophobicContact CG1-CD1 4.08Å; V338-Y501 HydrophobicContact CG1-CE1 4.02Å; V338-Y501 HydrophobicContact CG2-CD1 4.48Å; V338-Y501 HydrophobicContact CG2-CE1 3.62Å
339Q93.5Very high91.6Very high98 Ų9853.3 Ų53.346%0.45832%0.317SS..THydrogen-bonded Turntrans-48.4136.9173.4178.4-177.9-3.600112.2S341 I382 V409 E410 Y411Q339-S341 VanDerWaalsContact C-N 3.28Å; Q339-I382 CarbonylContact C-O 3.56Å; Q339-I382 WeakPolarHBondContact CA-O 3.3Å; Q339-I382 WeakPolarHBondContact CG-O 3.4Å; Q339-V409 HydrophobicContact CB-CG1 4.23Å; Q339-E410 PolarHBondContact N-O 2.83Å; Q339-Y411 VanDerWaalsContact OE1-CB 3.24Å
340G91.2Very high91.6Very high41 Ų4156.9 Ų56.942%0.42334%0.335SS..THydrogen-bonded Turntrans81.8-0.6-175.300000114.4V338 I382V338-G340 PolarHBondContact O-N 2.65Å; G340-I382 PolarHBondContact N-O 3.27Å
341S93Very high91.6Very high42 Ų4252.2 Ų52.229%0.29431%0.308SS..  trans-69.7154.1169.8-58.70000111.6V338 Q339 D381 I382V338-S341 WeakPolarHBondContact O-CB 3.27Å; V338-S341 PolarHBondContact O-N 2.86Å; V338-S341 PolarHBondContact O-OG 3.48Å; Q339-S341 VanDerWaalsContact C-N 3.28Å; S341-D381 PolarHBondContact O-N 2.96Å; S341-I382 WeakPolarHBondContact O-CG2 3.41Å; S341-I382 PolarHBondContact O-N 2.84Å
342S92.2Very high91.6Very high66 Ų6651.7 Ų51.746%0.46231%0.305SS..  trans-104.4134.8169.2-58.20000110.2I379 M380S342-I379 CarbonylContact C-O 3.48Å; S342-I379 VanDerWaalsContact CA-O 3.32Å; S342-I379 WeakPolarHBondContact CA-O 3.31Å; S342-M380 WeakPolarHBondContact OG-CE 3.39Å
343L90.3Very high92Very high23 Ų2351 Ų5112%0.1230%0.304CS..EExtended strand (participates in β ladder)trans-122.3156.1-176.6-49-177.4000111.6V337 E378 I379 I382 I407V337-L343 HydrophobicContact CB-CD2 4.12Å; V337-L343 HydrophobicContact CG1-CD1 4.12Å; V337-L343 HydrophobicContact CG1-CD2 3.63Å; V337-L343 HydrophobicContact CG2-CD1 4.2Å; L343-E378 WeakPolarHBondContact O-CA 3Å; L343-I379 HydrophobicContact CB-CB 4.37Å; L343-I379 PolarHBondContact N-O 2.89Å; L343-I379 PolarHBondContact O-N 2.86Å; L343-I382 HydrophobicContact CD1-CD1 3.58Å; L343-I382 HydrophobicContact CG-CD1 4.43Å; L343-I407 HydrophobicContact CD1-CD1 4.2Å; L343-I407 HydrophobicContact CD1-CG2 4.23Å
344S90.3Very high92.5Very high42 Ų4247.1 Ų47.129%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-138.8100.3173.7-174.50000109.2H346 V376S344-H346 PolarHBondContact O-CE1 2.89Å; S344-H346 PolarHBondContact O-ND1 2.83Å; S344-H346 PolarHBondContact OG-CE1 2.86Å; S344-H346 VanDerWaalsContact OG-CE1 3.25Å; S344-V376 WeakPolarHBondContact OG-CG1 3.4Å
345L91Very high92.8Very high0 Ų042.8 Ų42.80%026%0.261CS..EExtended strand (participates in β ladder)trans-85.7129.1-180-45.9-177.1000109.1M335 W359 V376 L377 I379 Y390 L405 I407M335-L345 HydrophobicContact CE-CD2 4.26Å; M335-L345 HydrophobicContact SD-CD2 4.23Å; L345-W359 HydrophobicContact CB-CH2 3.61Å; L345-W359 HydrophobicContact CB-CZ2 3.85Å; L345-W359 HydrophobicContact CB-CZ3 4.19Å; L345-W359 HydrophobicContact CD1-CH2 4.39Å; L345-W359 HydrophobicContact CD1-CZ3 4.14Å; L345-V376 CarbonylContact O-C 3.51Å; L345-V376 VanDerWaalsContact O-CA 3.29Å; L345-V376 WeakPolarHBondContact O-CA 3.48Å; L345-L377 HydrophobicContact CB-CB 4.33Å; L345-L377 HydrophobicContact CD1-CD2 4.13Å; L345-L377 PolarHBondContact N-O 2.96Å; L345-L377 PolarHBondContact O-N 3.48Å; L345-I379 HydrophobicContact CD1-CD1 4.31Å; L345-Y390 HydrophobicContact CD1-CD1 3.9Å; L345-Y390 HydrophobicContact CD1-CE1 4.48Å; L345-Y390 HydrophobicContact CD1-CG 4.07Å; L345-L405 HydrophobicContact CD2-CD1 4.18Å; L345-I407 HydrophobicContact CD1-CD1 3.66Å; L345-I407 HydrophobicContact CD2-CD1 3.76Å; L345-I407 HydrophobicContact CG-CD1 4.29Å
346H92Very high93.1Very high84 Ų8443.6 Ų43.639%0.38927%0.269SS..EExtended strand (participates in β ladder)trans-107.3138.6-179.2-65.361.1000109.3V331 N332 S344V331-H346 WeakPolarHBondContact CA-O 3.48Å; N332-H346 PolarHBondContact OD1-N 3.42Å; N332-H346 PolarHBondContact OD1-O 3.46Å; S344-H346 PolarHBondContact O-CE1 2.89Å; S344-H346 PolarHBondContact O-ND1 2.83Å; S344-H346 PolarHBondContact OG-CE1 2.86Å; S344-H346 VanDerWaalsContact OG-CE1 3.25Å
347C92.3Very high93.2Very high0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-132.5118173172.30000108.6V330 V331 W359 L374 S375 C392V330-C347 WeakPolarHBondContact O-CA 3.34Å; V331-C347 HydrophobicContact CG1-CB 4.06Å; C347-W359 HydrophobicContact CB-CH2 3.96Å; C347-W359 HydrophobicContact CB-CZ2 3.37Å; C347-L374 WeakPolarHBondContact O-CA 3.3Å; C347-S375 PolarHBondContact N-O 3.47Å; C347-S375 PolarHBondContact O-N 2.88Å; C347-C392 HydrophobicContact CB-CB 3.59Å; C347-C392 WeakPolarHBondContact CB-SG 3.43Å; C347-C392 WeakPolarHBondContact SG-CB 3.45Å; C347-C392 CovalentContact SG-SG 2.02Å; C347-C392 PolarHBondContact SG-SG 3.06Å
348N94.1Very high93.3Very high78 Ų7839.9 Ų39.942%0.41725%0.246SC..EExtended strand (participates in β ladder)trans-124.1130.7-177.4-173.583.3000111.2V330 E373 L374V330-N348 PolarHBondContact N-O 2.86Å; V330-N348 PolarHBondContact O-N 3.09Å; N348-E373 CarbonylContact C-O 3.51Å; N348-E373 VanDerWaalsContact CA-O 3.29Å; N348-E373 WeakPolarHBondContact CA-O 3.32Å; N348-L374 HydrophobicContact CB-CD1 4.36Å
349T95Very high93.3Very high5 Ų537.2 Ų37.23%0.03123%0.23CC..  trans-154.1159.6175.2-175.50000111.8R327 P329 P355 L357 E373 A394R327-T349 PolarHBondContact N-OG1 3.11Å; R327-T349 PolarHBondContact O-OG1 3.22Å; P329-T349 HydrophobicContact CB-CG2 4.48Å; P329-T349 HydrophobicContact CG-CG2 4.35Å; T349-P355 HydrophobicContact CG2-CG 3.88Å; T349-L357 HydrophobicContact CG2-CD2 3.52Å; T349-E373 PolarHBondContact N-O 3.23Å; T349-E373 VanDerWaalsContact O-CA 3.23Å; T349-E373 WeakPolarHBondContact O-CA 3.25Å; T349-E373 WeakPolarHBondContact O-CB 3.43Å; T349-E373 WeakPolarHBondContact O-CG 3.34Å; T349-A394 HydrophobicContact CG2-CB 3.77Å
350M94.3Very high93.3Very high80 Ų8033.6 Ų33.639%0.39421%0.214SC..  trans-106.8147.4173-58.9171.769.200110.1Y324 P326 R327Y324-M350 HydrophobicContact CE2-CB 4.25Å; P326-M350 WeakPolarHBondContact CA-O 3.24Å; R327-M350 PolarHBondContact N-O 3Å
351G93.8Very high93.3Very high6 Ų633.6 Ų33.66%0.06220%0.202CC..  trans-168.8149.2173.400000110.6Y324 P353 A354Y324-G351 VanDerWaalsContact CE2-CA 3.45Å; G351-P353 CarbonylContact C-O 3.56Å; G351-P353 CarbonylContact O-C 3.53Å; G351-P353 VanDerWaalsContact O-C 3.24Å; G351-A354 WeakPolarHBondContact O-CA 3.01Å; G351-A354 PolarHBondContact O-N 3.14Å
352S94.6Very high92.9Very high19 Ų1936.6 Ų36.613%0.13322%0.215CC..BIsolated β-bridgetrans-129.7110.4177.3-178.10000110.3V322 K323 Y324 H398V322-S352 WeakPolarHBondContact O-CB 3.3Å; V322-S352 PolarHBondContact O-OG 3.41Å; K323-S352 CarbonylContact C-O 3.53Å; K323-S352 WeakPolarHBondContact CA-O 3.32Å; Y324-S352 PolarHBondContact N-O 3.31Å; Y324-S352 PolarHBondContact O-N 2.83Å; Y324-S352 VanDerWaalsContact O-N 3.16Å; S352-H398 PolarHBondContact O-CD2 3.34Å
353P94.3Very high92.2Very high40 Ų4036.4 Ų36.426%0.2622%0.223SC..SBendcis-64.6160.80.8-19.432.6000114G351 N396 E397G351-P353 CarbonylContact C-O 3.56Å; G351-P353 CarbonylContact O-C 3.53Å; G351-P353 VanDerWaalsContact O-C 3.24Å; P353-N396 PolarHBondContact O-ND2 3.32Å; P353-E397 HydrophobicContact CG-CG 4.47Å; P353-E397 WeakPolarHBondContact CG-OE1 3.38Å
354A93.8Very high92Very high64 Ų6443 Ų4353%0.52925%0.254SS..PPolyproline II helixtrans-53.8129.1179.100000111.3G351G351-A354 WeakPolarHBondContact O-CA 3.01Å; G351-A354 PolarHBondContact O-N 3.14Å
355P95.1Very high91.8Very high0 Ų046 Ų460%027%0.266CS..PPolyproline II helixtrans-73.6160.5-171.127.3-33.3000113.5P326 T349 L357 G372 A394 E395P326-P355 HydrophobicContact CB-CB 4.14Å; P326-P355 HydrophobicContact CB-CG 4.45Å; P326-P355 HydrophobicContact CG-CB 3.96Å; T349-P355 HydrophobicContact CG2-CG 3.88Å; P355-L357 HydrophobicContact CB-CD2 4.26Å; P355-L357 HydrophobicContact CG-CD2 4.04Å; P355-G372 PolarHBondContact O-N 2.94Å; P355-A394 HydrophobicContact CB-CB 4.24Å; P355-E395 WeakPolarHBondContact CA-O 3.42Å
356T95.2Very high91.3Very high66 Ų6647.7 Ų47.741%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-89.4123.9159.3-59.30000108.9I369 A394 E395T356-I369 HydrophobicContact CG2-CG2 3.81Å; T356-A394 WeakPolarHBondContact O-CA 3.31Å; T356-E395 PolarHBondContact N-O 3.38Å; T356-E395 PolarHBondContact O-N 3.21Å
357L95.3Very high90.5Very high0 Ų045.8 Ų45.80%028%0.283CS..EExtended strand (participates in β ladder)trans-101128.2178.9-54.7-177.1000109.7T349 P355 I369 T370 G372 L393 A394T349-L357 HydrophobicContact CG2-CD2 3.52Å; P355-L357 HydrophobicContact CB-CD2 4.26Å; P355-L357 HydrophobicContact CG-CD2 4.04Å; L357-I369 CarbonylContact O-C 3.5Å; L357-I369 VanDerWaalsContact O-CA 3.29Å; L357-I369 WeakPolarHBondContact O-CA 3.38Å; L357-T370 WeakPolarHBondContact CB-O 3.47Å; L357-T370 PolarHBondContact N-O 3.04Å; L357-T370 PolarHBondContact O-N 2.85Å; L357-G372 VanDerWaalsContact CD1-O 3.29Å; L357-G372 WeakPolarHBondContact CD1-O 3.43Å; L357-G372 WeakPolarHBondContact CG-O 3.36Å; L357-L393 CarbonylContact C-O 3.49Å; L357-L393 WeakPolarHBondContact CA-O 3.34Å; L357-A394 HydrophobicContact CD2-CB 3.43Å; L357-A394 VanDerWaalsContact CD2-CB 3.43Å
358T94.4Very high89.6Confident27 Ų2747.2 Ų47.217%0.16629%0.293CS..EExtended strand (participates in β ladder)trans-129.6123.4-178-62.60000110.4L360 L365 I369 L393T358-L360 HydrophobicContact CG2-CD2 3.83Å; T358-L360 HydrophobicContact CG2-CG 4.21Å; T358-L365 HydrophobicContact CG2-CD1 3.68Å; T358-I369 HydrophobicContact CG2-CG1 4.2Å; T358-L393 PolarHBondContact N-O 3.18Å; T358-L393 PolarHBondContact O-N 2.86Å
359W94.7Very high88.9Confident0 Ų048.4 Ų48.40%030%0.298CS..EExtended strand (participates in β ladder)trans-87.1129.3174.2-7797.5000112.3V331 L345 C347 A366 S368 S375 L377 C392 L405V331-W359 HydrophobicContact CG1-CH2 4.16Å; L345-W359 HydrophobicContact CB-CH2 3.61Å; L345-W359 HydrophobicContact CB-CZ2 3.85Å; L345-W359 HydrophobicContact CB-CZ3 4.19Å; L345-W359 HydrophobicContact CD1-CH2 4.39Å; L345-W359 HydrophobicContact CD1-CZ3 4.14Å; C347-W359 HydrophobicContact CB-CH2 3.96Å; C347-W359 HydrophobicContact CB-CZ2 3.37Å; W359-A366 HydrophobicContact CB-CB 4.27Å; W359-A366 PolarHBondContact O-N 2.77Å; W359-S368 PolarHBondContact N-O 3.02Å; W359-S375 PolarHBondContact NE1-OG 3.08Å; W359-L377 HydrophobicContact CB-CD1 4.38Å; W359-L377 HydrophobicContact CB-CD2 4.1Å; W359-L377 HydrophobicContact CD2-CB 3.98Å; W359-L377 HydrophobicContact CD2-CD2 4.29Å; W359-L377 HydrophobicContact CE3-CD2 4.47Å; W359-L377 HydrophobicContact CG-CB 3.9Å; W359-L377 HydrophobicContact CG-CD2 4.18Å; W359-L377 HydrophobicContact CG-CG 4.44Å; W359-C392 HydrophobicContact CD2-CB 4.31Å; W359-C392 HydrophobicContact CE3-CB 4.14Å; W359-C392 HydrophobicContact CH2-CB 4.24Å; W359-C392 HydrophobicContact CZ2-CB 4.42Å; W359-C392 HydrophobicContact CZ3-CB 4.09Å; W359-L405 HydrophobicContact CH2-CD2 4.11Å; W359-L405 HydrophobicContact CZ3-CD2 3.85Å
360L92.9Very high88.3Confident22 Ų2250.2 Ų50.212%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-124.8145.4-179.1-56.3171.8000110.5T358 E364 L365 Y390 R391 L393T358-L360 HydrophobicContact CG2-CD2 3.83Å; T358-L360 HydrophobicContact CG2-CG 4.21Å; L360-E364 CarbonylContact C-O 3.52Å; L360-E364 WeakPolarHBondContact CA-O 3.48Å; L360-E364 WeakPolarHBondContact CB-O 3.49Å; L360-L365 HydrophobicContact CD2-CD1 4.31Å; L360-Y390 CarbonylContact O-C 3.51Å; L360-Y390 VanDerWaalsContact O-CA 3.31Å; L360-Y390 WeakPolarHBondContact O-CA 3.38Å; L360-R391 PolarHBondContact N-O 2.91Å; L360-R391 PolarHBondContact O-N 2.87Å; L360-L393 HydrophobicContact CD1-CB 4.37Å; L360-L393 HydrophobicContact CD1-CD2 4.47Å
361K91.2Very high87.7Confident42 Ų4250.6 Ų50.618%0.18333%0.325CS..EExtended strand (participates in β ladder)trans-121.9122.4172.3-176.9-170.8-170.5-76.40108.8G363 E364 A366 Q385 Q386 T387 Q389 Y390K361-G363 PolarHBondContact O-N 3.37Å; K361-E364 PolarHBondContact N-O 2.79Å; K361-E364 PolarHBondContact O-N 2.78Å; K361-A366 HydrophobicContact CB-CB 3.95Å; K361-Q385 PolarHBondContact NZ-O 3.09Å; K361-Q386 WeakPolarHBondContact CE-O 3.28Å; K361-T387 WeakPolarHBondContact CE-O 3.44Å; K361-T387 PolarHBondContact NZ-O 2.92Å; K361-Q389 WeakPolarHBondContact CA-O 3.43Å; K361-Y390 HydrophobicContact CB-CD1 4.27Å; K361-Y390 HydrophobicContact CB-CE1 4.08Å; K361-Y390 HydrophobicContact CD-CE1 4.22Å; K361-Y390 HydrophobicContact CD-CE2 4.06Å; K361-Y390 WeakPolarHBondContact CD-OH 3.13Å; K361-Y390 HydrophobicContact CG-CD2 4.39Å; K361-Y390 HydrophobicContact CG-CE1 4.17Å; K361-Y390 HydrophobicContact CG-CE2 4.01Å
362D83.8Confident87.3Confident104 Ų10451.2 Ų51.256%0.55633%0.332SS*.THydrogen-bonded Turntrans52.116.3179-51.5-45.1000115.1Q389D362-Q389 PolarHBondContact N-O 2.88Å; D362-Q389 PolarHBondContact OD1-N 3.31Å
363G79.1Confident87.1Confident62 Ų6254.7 Ų54.764%0.63935%0.346SS*.THydrogen-bonded Turntrans113.6-20.9-177.400000115.3K361K361-G363 PolarHBondContact O-N 3.37Å
364E85.7Confident87Confident161 Ų16157.1 Ų57.175%0.75236%0.356SS*.EExtended strand (participates in β ladder)trans-96.1165.2-179.5-60.7-166.215800112.5L360 K361 A366L360-E364 CarbonylContact C-O 3.52Å; L360-E364 WeakPolarHBondContact CA-O 3.48Å; L360-E364 WeakPolarHBondContact CB-O 3.49Å; K361-E364 PolarHBondContact N-O 2.79Å; K361-E364 PolarHBondContact O-N 2.78Å; E364-A366 PolarHBondContact O-N 2.83Å
365L86.3Confident86.9Confident106 Ų10654 Ų5456%0.55533%0.331SS*.EExtended strand (participates in β ladder)trans-70.7116-178.1-17767.5000111.5T358 L360 I369T358-L365 HydrophobicContact CG2-CD1 3.68Å; L360-L365 HydrophobicContact CD2-CD1 4.31Å; L365-I369 HydrophobicContact CD1-CD1 4.08Å; L365-I369 HydrophobicContact CD1-CG1 4.04Å; L365-I369 HydrophobicContact CD2-CD1 4.32Å
366A79.9Confident86.7Confident35 Ų3556.3 Ų56.329%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-83.4-13.3-17900000113.9W359 K361 E364 L377 Y390W359-A366 HydrophobicContact CB-CB 4.27Å; W359-A366 PolarHBondContact O-N 2.77Å; K361-A366 HydrophobicContact CB-CB 3.95Å; E364-A366 PolarHBondContact O-N 2.83Å; A366-L377 HydrophobicContact CB-CD2 4.08Å; A366-Y390 HydrophobicContact CB-CD1 4.36Å; A366-Y390 HydrophobicContact CB-CE1 4.27Å
367G75.3Confident86.5Confident44 Ų4453.7 Ų53.745%0.45433%0.328SS..EExtended strand (participates in β ladder)trans142-82.8172.700000113I369G367-I369 PolarHBondContact O-N 3.13Å
368S72.8Confident86.3Confident31 Ų3160.6 Ų60.622%0.21736%0.36CS..EExtended strand (participates in β ladder)trans-64.7123.3-167.2-173.10000113.3W359 T370 S375 V376W359-S368 PolarHBondContact N-O 3.02Å; S368-T370 PolarHBondContact OG-OG1 2.79Å; S368-S375 PolarHBondContact OG-OG 2.9Å; S368-V376 WeakPolarHBondContact CB-O 3.22Å; S368-V376 PolarHBondContact OG-O 3.32Å; S368-V376 VanDerWaalsContact OG-O 3.06Å
369I79.9Confident86.1Confident103 Ų10359.9 Ų59.953%0.52836%0.355SS..EExtended strand (participates in β ladder)trans-119121.9167.4-58.1176.4000106.6T356 L357 T358 L365 G367T356-I369 HydrophobicContact CG2-CG2 3.81Å; L357-I369 CarbonylContact O-C 3.5Å; L357-I369 VanDerWaalsContact O-CA 3.29Å; L357-I369 WeakPolarHBondContact O-CA 3.38Å; T358-I369 HydrophobicContact CG2-CG1 4.2Å; L365-I369 HydrophobicContact CD1-CD1 4.08Å; L365-I369 HydrophobicContact CD1-CG1 4.04Å; L365-I369 HydrophobicContact CD2-CD1 4.32Å; G367-I369 PolarHBondContact O-N 3.13Å
370T82.6Confident86Confident43 Ų4365.6 Ų65.626%0.26438%0.383SS..EExtended strand (participates in β ladder)trans-135130.2-172.9-45.30000109.5L357 S368 S375L357-T370 WeakPolarHBondContact CB-O 3.47Å; L357-T370 PolarHBondContact N-O 3.04Å; L357-T370 PolarHBondContact O-N 2.85Å; S368-T370 PolarHBondContact OG-OG1 2.79Å; T370-S375 PolarHBondContact OG1-OG 2.94Å
371A80.6Confident85.9Confident87 Ų8770 Ų7072%0.71941%0.407SS*.EExtended strand (participates in β ladder)trans-88.4130169.200000109.6
372G86.9Confident86Confident20 Ų2068 Ų6821%0.20640%0.399CS..SBendtrans126.4-174-176.300000113.2P355 L357P355-G372 PolarHBondContact O-N 2.94Å; L357-G372 VanDerWaalsContact CD1-O 3.29Å; L357-G372 WeakPolarHBondContact CD1-O 3.43Å; L357-G372 WeakPolarHBondContact CG-O 3.36Å
373E89.1Confident86.4Confident92 Ų9265.4 Ų65.443%0.4339%0.387SS..SBendtrans-82-23.3-172.2-64.4-167.5130.600114.3N348 T349N348-E373 CarbonylContact C-O 3.51Å; N348-E373 VanDerWaalsContact CA-O 3.29Å; N348-E373 WeakPolarHBondContact CA-O 3.32Å; T349-E373 PolarHBondContact N-O 3.23Å; T349-E373 VanDerWaalsContact O-CA 3.23Å; T349-E373 WeakPolarHBondContact O-CA 3.25Å; T349-E373 WeakPolarHBondContact O-CB 3.43Å; T349-E373 WeakPolarHBondContact O-CG 3.34Å
374L91.9Very high86.9Confident90 Ų9063.6 Ų63.647%0.47136%0.363SS..EExtended strand (participates in β ladder)trans-121.5129.6-178.3177.464.3000111.1C347 N348 V376C347-L374 WeakPolarHBondContact O-CA 3.3Å; N348-L374 HydrophobicContact CB-CD1 4.36Å; L374-V376 HydrophobicContact CD1-CG2 4.46Å; L374-V376 HydrophobicContact CG-CG2 4.44Å
375S92.5Very high87Confident0 Ų063 Ų630%036%0.361CS..EExtended strand (participates in β ladder)trans-126.9137.1168.6-174.40000110.4C347 W359 S368 T370C347-S375 PolarHBondContact N-O 3.47Å; C347-S375 PolarHBondContact O-N 2.88Å; W359-S375 PolarHBondContact NE1-OG 3.08Å; S368-S375 PolarHBondContact OG-OG 2.9Å; T370-S375 PolarHBondContact OG1-OG 2.94Å
376V91.1Very high87.2Confident48 Ų4860.6 Ų60.629%0.29135%0.347SS..EExtended strand (participates in β ladder)trans-116.9136.9176.6-178.30000109.2S344 L345 S368 L374 E378S344-V376 WeakPolarHBondContact OG-CG1 3.4Å; L345-V376 CarbonylContact O-C 3.51Å; L345-V376 VanDerWaalsContact O-CA 3.29Å; L345-V376 WeakPolarHBondContact O-CA 3.48Å; S368-V376 WeakPolarHBondContact CB-O 3.22Å; S368-V376 PolarHBondContact OG-O 3.32Å; S368-V376 VanDerWaalsContact OG-O 3.06Å; L374-V376 HydrophobicContact CD1-CG2 4.46Å; L374-V376 HydrophobicContact CG-CG2 4.44Å; V376-E378 HydrophobicContact CG1-CG 4.13Å
377L91Very high87.8Confident11 Ų1161.1 Ų61.16%0.05835%0.346CS..EExtended strand (participates in β ladder)trans-117109.4170-175.673.9000109.1L345 W359 A366 I379 Y390L345-L377 HydrophobicContact CB-CB 4.33Å; L345-L377 HydrophobicContact CD1-CD2 4.13Å; L345-L377 PolarHBondContact N-O 2.96Å; L345-L377 PolarHBondContact O-N 3.48Å; W359-L377 HydrophobicContact CB-CD1 4.38Å; W359-L377 HydrophobicContact CB-CD2 4.1Å; W359-L377 HydrophobicContact CD2-CB 3.98Å; W359-L377 HydrophobicContact CD2-CD2 4.29Å; W359-L377 HydrophobicContact CE3-CD2 4.47Å; W359-L377 HydrophobicContact CG-CB 3.9Å; W359-L377 HydrophobicContact CG-CD2 4.18Å; W359-L377 HydrophobicContact CG-CG 4.44Å; A366-L377 HydrophobicContact CB-CD2 4.08Å; L377-I379 HydrophobicContact CD2-CD1 4.19Å; L377-I379 HydrophobicContact CD2-CG1 4.37Å; L377-I379 HydrophobicContact CG-CG1 4.31Å; L377-Y390 HydrophobicContact CD2-CD1 3.98Å; L377-Y390 HydrophobicContact CD2-CE1 4.03Å
378E90.7Very high88.5Confident144 Ų14459.9 Ų59.967%0.67333%0.333SS*.EExtended strand (participates in β ladder)trans-88.4134.7173.8-60.5-170.6149.700110.6L343 V376L343-E378 WeakPolarHBondContact O-CA 3Å; V376-E378 HydrophobicContact CG1-CG 4.13Å
379I90.6Very high89.5Confident12 Ų1262.6 Ų62.66%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-129.1106.1178.1-55.4177.2000107.7S342 L343 L345 L377 I382 Y390S342-I379 CarbonylContact C-O 3.48Å; S342-I379 VanDerWaalsContact CA-O 3.32Å; S342-I379 WeakPolarHBondContact CA-O 3.31Å; L343-I379 HydrophobicContact CB-CB 4.37Å; L343-I379 PolarHBondContact N-O 2.89Å; L343-I379 PolarHBondContact O-N 2.86Å; L345-I379 HydrophobicContact CD1-CD1 4.31Å; L377-I379 HydrophobicContact CD2-CD1 4.19Å; L377-I379 HydrophobicContact CD2-CG1 4.37Å; L377-I379 HydrophobicContact CG-CG1 4.31Å; I379-I382 HydrophobicContact CG2-CB 4.23Å; I379-I382 HydrophobicContact CG2-CD1 4.17Å; I379-I382 HydrophobicContact CG2-CG1 4.06Å; I379-Y390 HydrophobicContact CD1-CE1 3.73Å
380M91.4Very high90.1Very high120 Ų12058 Ų5859%0.59132%0.318SS*.  trans-88.1153.2176.9-56-59.5-70.100111S342 I382S342-M380 WeakPolarHBondContact OG-CE 3.39Å; M380-I382 PolarHBondContact O-N 2.81Å
381D91.4Very high90.7Very high115 Ų11559.5 Ų59.562%0.61532%0.319SS*.SBendtrans46.849173.1-59.9-35.3000114.8S341 T383S341-D381 PolarHBondContact O-N 2.96Å; D381-T383 PolarHBondContact O-N 2.9Å
382I92.8Very high91.3Very high0 Ų055.3 Ų55.30%029%0.285CS..  trans-58.1135.6-165.6-163.5169.5000113.9V337 Q339 G340 S341 L343 I379 M380 Q386 I407 V409V337-I382 HydrophobicContact CG2-CD1 4.22Å; V337-I382 HydrophobicContact CG2-CG2 4.17Å; Q339-I382 CarbonylContact C-O 3.56Å; Q339-I382 WeakPolarHBondContact CA-O 3.3Å; Q339-I382 WeakPolarHBondContact CG-O 3.4Å; G340-I382 PolarHBondContact N-O 3.27Å; S341-I382 WeakPolarHBondContact O-CG2 3.41Å; S341-I382 PolarHBondContact O-N 2.84Å; L343-I382 HydrophobicContact CD1-CD1 3.58Å; L343-I382 HydrophobicContact CG-CD1 4.43Å; I379-I382 HydrophobicContact CG2-CB 4.23Å; I379-I382 HydrophobicContact CG2-CD1 4.17Å; I379-I382 HydrophobicContact CG2-CG1 4.06Å; M380-I382 PolarHBondContact O-N 2.81Å; I382-Q386 HydrophobicContact CD1-CB 3.98Å; I382-Q386 HydrophobicContact CG1-CB 3.66Å; I382-Q386 HydrophobicContact CG1-CG 4.46Å; I382-I407 HydrophobicContact CD1-CG2 4.1Å; I382-V409 HydrophobicContact CD1-CG2 3.73Å; I382-V409 HydrophobicContact CG1-CG2 3.92Å; I382-V409 HydrophobicContact CG2-CG1 4.41Å
383T92.7Very high91.7Very high50 Ų5055.9 Ų55.931%0.30728%0.283SS..  trans-106.9156.5-176.263.70000112.2D381 Q385 Q386D381-T383 PolarHBondContact O-N 2.9Å; T383-Q385 PolarHBondContact O-N 2.92Å; T383-Q385 VanDerWaalsContact O-N 3.1Å; T383-Q386 WeakPolarHBondContact O-CB 3.18Å; T383-Q386 PolarHBondContact O-N 2.98Å; T383-Q386 PolarHBondContact OG1-OE1 2.91Å
384P89.6Confident92.1Very high23 Ų2351.5 Ų51.515%0.14926%0.262CS..G310 helixtrans-52.4-34.1177.8-30.438000114.5Q386 T387 Y411P384-Q386 PolarHBondContact O-N 3.12Å; P384-T387 WeakPolarHBondContact O-CB 3.39Å; P384-T387 PolarHBondContact O-N 2.99Å; P384-T387 VanDerWaalsContact O-N 3.1Å; P384-T387 PolarHBondContact O-OG1 2.93Å; P384-Y411 HydrophobicContact CB-CD1 3.95Å; P384-Y411 HydrophobicContact CB-CE1 3.73Å; P384-Y411 HydrophobicContact CB-CE2 4.36Å; P384-Y411 HydrophobicContact CB-CG 4.4Å; P384-Y411 HydrophobicContact CG-CD1 3.72Å; P384-Y411 HydrophobicContact CG-CD2 3.96Å; P384-Y411 HydrophobicContact CG-CE1 3.99Å; P384-Y411 HydrophobicContact CG-CE2 4.19Å; P384-Y411 HydrophobicContact CG-CG 3.73Å
385Q89.1Confident92.2Very high149 Ų14951.7 Ų51.770%0.69626%0.261SS*.G310 helixtrans-67.7-16.5178.3-63.376.411.600113.5K361 T383 T387K361-Q385 PolarHBondContact NZ-O 3.09Å; T383-Q385 PolarHBondContact O-N 2.92Å; T383-Q385 VanDerWaalsContact O-N 3.1Å; Q385-T387 VanDerWaalsContact C-N 3.3Å
386Q90Very high92.4Very high56 Ų5652.7 Ų52.726%0.26227%0.267SS..G310 helixtrans-84.2-2.6173.6-72.5160.2-64.400113K361 I382 T383 P384 Y390K361-Q386 WeakPolarHBondContact CE-O 3.28Å; I382-Q386 HydrophobicContact CD1-CB 3.98Å; I382-Q386 HydrophobicContact CG1-CB 3.66Å; I382-Q386 HydrophobicContact CG1-CG 4.46Å; T383-Q386 WeakPolarHBondContact O-CB 3.18Å; T383-Q386 PolarHBondContact O-N 2.98Å; T383-Q386 PolarHBondContact OG1-OE1 2.91Å; P384-Q386 PolarHBondContact O-N 3.12Å; Q386-Y390 WeakPolarHBondContact O-CE2 3.46Å; Q386-Y390 PolarHBondContact O-OH 2.8Å
387T91.4Very high92.6Very high46 Ų4657.7 Ų57.728%0.28229%0.287SS..  trans-55.2136.9162.1-59.80000110.4K361 P384 Q385 I407 V409K361-T387 WeakPolarHBondContact CE-O 3.44Å; K361-T387 PolarHBondContact NZ-O 2.92Å; P384-T387 WeakPolarHBondContact O-CB 3.39Å; P384-T387 PolarHBondContact O-N 2.99Å; P384-T387 VanDerWaalsContact O-N 3.1Å; P384-T387 PolarHBondContact O-OG1 2.93Å; Q385-T387 VanDerWaalsContact C-N 3.3Å; T387-I407 WeakPolarHBondContact CA-O 3.04Å; T387-I407 WeakPolarHBondContact CG2-O 3.21Å; T387-V409 WeakPolarHBondContact OG1-CB 3.47Å; T387-V409 PolarHBondContact OG1-N 3.31Å
388G91.1Very high92.7Very high17 Ų1760.3 Ų60.318%0.17530%0.299CS..EExtended strand (participates in β ladder)trans159.1-174.2179.400000113.5I407G388-I407 PolarHBondContact N-O 3.15Å; G388-I407 VanDerWaalsContact N-O 3.1Å; G388-I407 PolarHBondContact O-N 3Å
389Q92.6Very high92.9Very high88 Ų8854.7 Ų54.741%0.41128%0.279SS..EExtended strand (participates in β ladder)trans-93.4123170.8-179.1163.5111.800110.5K361 D362 S404 N406K361-Q389 WeakPolarHBondContact CA-O 3.43Å; D362-Q389 PolarHBondContact N-O 2.88Å; D362-Q389 PolarHBondContact OD1-N 3.31Å; Q389-S404 PolarHBondContact OE1-OG 2.95Å; Q389-S404 VanDerWaalsContact OE1-OG 3.04Å; Q389-N406 PolarHBondContact NE2-OD1 3.4Å
390Y93.6Very high93.1Very high6 Ų663.1 Ų63.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-100130.6172.2-73.2-104.1000109.1L345 L360 K361 A366 L377 I379 Q386 S404 L405 I407L345-Y390 HydrophobicContact CD1-CD1 3.9Å; L345-Y390 HydrophobicContact CD1-CE1 4.48Å; L345-Y390 HydrophobicContact CD1-CG 4.07Å; L360-Y390 CarbonylContact O-C 3.51Å; L360-Y390 VanDerWaalsContact O-CA 3.31Å; L360-Y390 WeakPolarHBondContact O-CA 3.38Å; K361-Y390 HydrophobicContact CB-CD1 4.27Å; K361-Y390 HydrophobicContact CB-CE1 4.08Å; K361-Y390 HydrophobicContact CD-CE1 4.22Å; K361-Y390 HydrophobicContact CD-CE2 4.06Å; K361-Y390 WeakPolarHBondContact CD-OH 3.13Å; K361-Y390 HydrophobicContact CG-CD2 4.39Å; K361-Y390 HydrophobicContact CG-CE1 4.17Å; K361-Y390 HydrophobicContact CG-CE2 4.01Å; A366-Y390 HydrophobicContact CB-CD1 4.36Å; A366-Y390 HydrophobicContact CB-CE1 4.27Å; L377-Y390 HydrophobicContact CD2-CD1 3.98Å; L377-Y390 HydrophobicContact CD2-CE1 4.03Å; I379-Y390 HydrophobicContact CD1-CE1 3.73Å; Q386-Y390 WeakPolarHBondContact O-CE2 3.46Å; Q386-Y390 PolarHBondContact O-OH 2.8Å; Y390-S404 CarbonylContact O-C 3.57Å; Y390-S404 VanDerWaalsContact O-CA 3.26Å; Y390-S404 WeakPolarHBondContact O-CA 3.39Å; Y390-L405 PolarHBondContact N-O 2.8Å; Y390-L405 PolarHBondContact O-N 2.82Å; Y390-L405 VanDerWaalsContact O-O 3.11Å; Y390-I407 HydrophobicContact CD2-CB 4.17Å; Y390-I407 HydrophobicContact CD2-CD1 3.63Å; Y390-I407 HydrophobicContact CD2-CG1 3.82Å; Y390-I407 HydrophobicContact CE2-CB 4.11Å; Y390-I407 HydrophobicContact CE2-CD1 3.74Å; Y390-I407 HydrophobicContact CE2-CG1 4.12Å; Y390-I407 HydrophobicContact CG-CD1 4.12Å
391R93.9Very high93.4Very high75 Ų7558.4 Ų58.428%0.28329%0.29SS..EExtended strand (participates in β ladder)trans-125.6127-179.6-173.2173.570.697.70.5110.1L360 S402 A403 S404L360-R391 PolarHBondContact N-O 2.91Å; L360-R391 PolarHBondContact O-N 2.87Å; R391-S402 PolarHBondContact NH1-OG 3.08Å; R391-A403 WeakPolarHBondContact CA-O 3.16Å; R391-A403 WeakPolarHBondContact CG-O 3.37Å; R391-S404 WeakPolarHBondContact CB-OG 3.19Å; R391-S404 WeakPolarHBondContact CG-OG 3.49Å
392C94.8Very high93.6Very high0 Ų055 Ų550%028%0.275CS..EExtended strand (participates in β ladder)trans-90.6121.2166.8-175.70000109V331 C347 W359 S402 A403V331-C392 HydrophobicContact CG1-CB 3.87Å; C347-C392 HydrophobicContact CB-CB 3.59Å; C347-C392 WeakPolarHBondContact CB-SG 3.43Å; C347-C392 WeakPolarHBondContact SG-CB 3.45Å; C347-C392 CovalentContact SG-SG 2.02Å; C347-C392 PolarHBondContact SG-SG 3.06Å; W359-C392 HydrophobicContact CD2-CB 4.31Å; W359-C392 HydrophobicContact CE3-CB 4.14Å; W359-C392 HydrophobicContact CH2-CB 4.24Å; W359-C392 HydrophobicContact CZ2-CB 4.42Å; W359-C392 HydrophobicContact CZ3-CB 4.09Å; C392-S402 WeakPolarHBondContact O-CA 3.09Å; C392-S402 WeakPolarHBondContact O-CB 3.49Å; C392-A403 PolarHBondContact N-O 3.08Å; C392-A403 PolarHBondContact O-N 2.74Å
393L94.9Very high93.7Very high31 Ų3155.7 Ų55.716%0.16228%0.281CS..EExtended strand (participates in β ladder)trans-102124.7172.8170.561.8000109.4L357 T358 L360 R400L357-L393 CarbonylContact C-O 3.49Å; L357-L393 WeakPolarHBondContact CA-O 3.34Å; T358-L393 PolarHBondContact N-O 3.18Å; T358-L393 PolarHBondContact O-N 2.86Å; L360-L393 HydrophobicContact CD1-CB 4.37Å; L360-L393 HydrophobicContact CD1-CD2 4.47Å; L393-R400 HydrophobicContact CD1-CB 4.25Å
394A96.9Very high93.8Very high0 Ų055.7 Ų55.70%028%0.283CS..EExtended strand (participates in β ladder)trans-107.1131.1170.800000110P326 P329 T349 P355 T356 L357 R400 A401P326-A394 HydrophobicContact CB-CB 3.76Å; P326-A394 HydrophobicContact CG-CB 4.36Å; P329-A394 HydrophobicContact CG-CB 3.92Å; T349-A394 HydrophobicContact CG2-CB 3.77Å; P355-A394 HydrophobicContact CB-CB 4.24Å; T356-A394 WeakPolarHBondContact O-CA 3.31Å; L357-A394 HydrophobicContact CD2-CB 3.43Å; L357-A394 VanDerWaalsContact CD2-CB 3.43Å; A394-R400 CarbonylContact O-C 3.44Å; A394-R400 WeakPolarHBondContact O-CA 3.38Å; A394-R400 WeakPolarHBondContact O-CB 3.46Å; A394-A401 PolarHBondContact N-O 3.43Å; A394-A401 PolarHBondContact O-N 3.4Å
395E95.1Very high93.9Very high94 Ų9454.9 Ų54.944%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-140.6134.5-177.9-167.6158.4100.100111.1P355 T356 R400P355-E395 WeakPolarHBondContact CA-O 3.42Å; T356-E395 PolarHBondContact N-O 3.38Å; T356-E395 PolarHBondContact O-N 3.21Å; E395-R400 HydrophobicContact CB-CB 4.22Å; E395-R400 HydrophobicContact CG-CB 4.05Å; E395-R400 WeakPolarHBondContact OE2-CD 3.38Å
396N95.8Very high94.1Very high22 Ų2251.7 Ų51.712%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-136179.3166.979.27.6000109.6Y324 P326 P353 H398 G399Y324-N396 PolarHBondContact O-ND2 2.83Å; P326-N396 WeakPolarHBondContact CD-OD1 3.35Å; P326-N396 HydrophobicContact CG-CB 4.22Å; P353-N396 PolarHBondContact O-ND2 3.32Å; N396-H398 PolarHBondContact O-N 2.01Å; N396-H398 VanDerWaalsContact O-N 3.15Å; N396-H398 PolarHBondContact OD1-N 2.92Å; N396-G399 PolarHBondContact N-O 3.06Å; N396-G399 PolarHBondContact O-N 2.92Å; N396-G399 PolarHBondContact OD1-N 2.77Å; N396-G399 VanDerWaalsContact OD1-N 3.15Å
397E94.6Very high94.3Very high153 Ų15349.1 Ų49.172%0.71525%0.253SS*.THydrogen-bonded Turntrans-65.8-15.9-175.768.8-174.4128.100115P353P353-E397 HydrophobicContact CG-CG 4.47Å; P353-E397 WeakPolarHBondContact CG-OE1 3.38Å
398H94Very high94.4Very high66 Ų6649.2 Ų49.231%0.30625%0.254SS..THydrogen-bonded Turntrans-98.1-14.2178.8-54.8-55.3000113.5M252 P325 S352 N396M252-H398 HydrophobicContact CE-CB 4.09Å; P325-H398 HydrophobicContact CB-CB 4.46Å; S352-H398 PolarHBondContact O-CD2 3.34Å; N396-H398 PolarHBondContact O-N 2.01Å; N396-H398 VanDerWaalsContact O-N 3.15Å; N396-H398 PolarHBondContact OD1-N 2.92Å
399G94.5Very high94.6Very high26 Ų2648.4 Ų48.427%0.26825%0.246SC..EExtended strand (participates in β ladder)trans165.6-167.7176.200000115.1P326 N396P326-G399 VanDerWaalsContact CD-C 3.44Å; P326-G399 WeakPolarHBondContact CD-O 3.2Å; N396-G399 PolarHBondContact N-O 3.06Å; N396-G399 PolarHBondContact O-N 2.92Å; N396-G399 PolarHBondContact OD1-N 2.77Å; N396-G399 VanDerWaalsContact OD1-N 3.15Å
400R95.9Very high94.7Very high189 Ų18946 Ų4671%0.71324%0.235SC*.EExtended strand (participates in β ladder)trans-146.5148.7-177.869.9-172.4-176.4-168.6-1.2111.9L393 A394 E395L393-R400 HydrophobicContact CD1-CB 4.25Å; A394-R400 CarbonylContact O-C 3.44Å; A394-R400 WeakPolarHBondContact O-CA 3.38Å; A394-R400 WeakPolarHBondContact O-CB 3.46Å; E395-R400 HydrophobicContact CB-CB 4.22Å; E395-R400 HydrophobicContact CG-CB 4.05Å; E395-R400 WeakPolarHBondContact OE2-CD 3.38Å
401A96.6Very high94.7Very high21 Ų2146.8 Ų46.817%0.17424%0.238CC..EExtended strand (participates in β ladder)trans-141.1158.5172.400000110.2P326 R327 A394P326-A401 VanDerWaalsContact O-CB 3.28Å; P326-A401 WeakPolarHBondContact O-CB 3.28Å; R327-A401 WeakPolarHBondContact O-CB 3.09Å; A394-A401 PolarHBondContact N-O 3.43Å; A394-A401 PolarHBondContact O-N 3.4Å
402S95.3Very high94.7Very high43 Ų4345 Ų4530%0.30124%0.239SC..EExtended strand (participates in β ladder)trans-159138.417866.10000113.1R391 C392R391-S402 PolarHBondContact NH1-OG 3.08Å; C392-S402 WeakPolarHBondContact O-CA 3.09Å; C392-S402 WeakPolarHBondContact O-CB 3.49Å
403A95.2Very high94.6Very high15 Ų1545.4 Ų45.412%0.12424%0.241CC..EExtended strand (participates in β ladder)trans-117.2152.6172.500000111.1P329 V331 R391 C392P329-A403 WeakPolarHBondContact O-CB 3.4Å; V331-A403 HydrophobicContact CG1-CB 4.22Å; V331-A403 HydrophobicContact CG2-CB 3.83Å; R391-A403 WeakPolarHBondContact CA-O 3.16Å; R391-A403 WeakPolarHBondContact CG-O 3.37Å; C392-A403 PolarHBondContact N-O 3.08Å; C392-A403 PolarHBondContact O-N 2.74Å
404S94.1Very high94.5Very high50 Ų5047.6 Ų47.635%0.3526%0.256SS..EExtended strand (participates in β ladder)trans-122.5142.7-177.3-68.70000111.7Q389 Y390 R391Q389-S404 PolarHBondContact OE1-OG 2.95Å; Q389-S404 VanDerWaalsContact OE1-OG 3.04Å; Y390-S404 CarbonylContact O-C 3.57Å; Y390-S404 VanDerWaalsContact O-CA 3.26Å; Y390-S404 WeakPolarHBondContact O-CA 3.39Å; R391-S404 WeakPolarHBondContact CB-OG 3.19Å; R391-S404 WeakPolarHBondContact CG-OG 3.49Å
405L93.6Very high94.3Very high6 Ų649.5 Ų49.53%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-122.5155.7163.371.3140.2000110.7V331 N332 L345 W359 Y390 I407V331-L405 HydrophobicContact CB-CD2 4.07Å; V331-L405 HydrophobicContact CG2-CD2 4.21Å; N332-L405 VanDerWaalsContact O-CB 3.3Å; N332-L405 WeakPolarHBondContact O-CB 3.47Å; L345-L405 HydrophobicContact CD2-CD1 4.18Å; W359-L405 HydrophobicContact CH2-CD2 4.11Å; W359-L405 HydrophobicContact CZ3-CD2 3.85Å; Y390-L405 PolarHBondContact N-O 2.8Å; Y390-L405 PolarHBondContact O-N 2.82Å; Y390-L405 VanDerWaalsContact O-O 3.11Å; L405-I407 HydrophobicContact CD1-CD1 4.27Å; L405-I407 HydrophobicContact CD1-CG1 3.93Å
406N93.1Very high94.1Very high81 Ų8147.7 Ų47.743%0.43326%0.257SS..EExtended strand (participates in β ladder)trans-102.2138.3172.2-64.9-13.6000109.4S334 M335 Q389S334-N406 CarbonylContact C-O 3.59Å; S334-N406 VanDerWaalsContact CA-O 3.28Å; S334-N406 WeakPolarHBondContact CA-O 3.36Å; M335-N406 PolarHBondContact N-O 3.22Å; Q389-N406 PolarHBondContact NE2-OD1 3.4Å
407I93.1Very high93.7Very high2 Ų255.3 Ų55.31%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-115.3127.4171.9-58.6-176.3000108.6M335 V337 L343 L345 I382 T387 G388 Y390 L405 V409M335-I407 WeakPolarHBondContact O-CA 3.45Å; V337-I407 HydrophobicContact CG2-CG2 3.93Å; L343-I407 HydrophobicContact CD1-CD1 4.2Å; L343-I407 HydrophobicContact CD1-CG2 4.23Å; L345-I407 HydrophobicContact CD1-CD1 3.66Å; L345-I407 HydrophobicContact CD2-CD1 3.76Å; L345-I407 HydrophobicContact CG-CD1 4.29Å; I382-I407 HydrophobicContact CD1-CG2 4.1Å; T387-I407 WeakPolarHBondContact CA-O 3.04Å; T387-I407 WeakPolarHBondContact CG2-O 3.21Å; G388-I407 PolarHBondContact N-O 3.15Å; G388-I407 VanDerWaalsContact N-O 3.1Å; G388-I407 PolarHBondContact O-N 3Å; Y390-I407 HydrophobicContact CD2-CB 4.17Å; Y390-I407 HydrophobicContact CD2-CD1 3.63Å; Y390-I407 HydrophobicContact CD2-CG1 3.82Å; Y390-I407 HydrophobicContact CE2-CB 4.11Å; Y390-I407 HydrophobicContact CE2-CD1 3.74Å; Y390-I407 HydrophobicContact CE2-CG1 4.12Å; Y390-I407 HydrophobicContact CG-CD1 4.12Å; L405-I407 HydrophobicContact CD1-CD1 4.27Å; L405-I407 HydrophobicContact CD1-CG1 3.93Å; I407-V409 HydrophobicContact CG2-CG2 4.43Å
408T93.3Very high93.4Very high49 Ų4953 Ų5330%0.30128%0.281SS..EExtended strand (participates in β ladder)trans-116.9114.3179.3-63.40000109.2M335 T336 V337 N437M335-T408 PolarHBondContact O-N 3Å; T336-T408 WeakPolarHBondContact CA-O 3.44Å; T336-T408 HydrophobicContact CG2-CG2 4.42Å; V337-T408 PolarHBondContact N-O 3.1Å; T408-N437 WeakPolarHBondContact CG2-ND2 3.4Å
409V94.9Very high93.2Very high0 Ų050.9 Ų50.90%027%0.274CS..EExtended strand (participates in β ladder)trans-92.6124.8179.7-173.40000110V337 Q339 I382 T387 I407 Y411 N437V337-V409 HydrophobicContact CG2-CB 4.46Å; V337-V409 HydrophobicContact CG2-CG2 3.98Å; V337-V409 CarbonylContact O-C 3.49Å; V337-V409 WeakPolarHBondContact O-CA 3.2Å; Q339-V409 HydrophobicContact CB-CG1 4.23Å; I382-V409 HydrophobicContact CD1-CG2 3.73Å; I382-V409 HydrophobicContact CG1-CG2 3.92Å; I382-V409 HydrophobicContact CG2-CG1 4.41Å; T387-V409 WeakPolarHBondContact OG1-CB 3.47Å; T387-V409 PolarHBondContact OG1-N 3.31Å; I407-V409 HydrophobicContact CG2-CG2 4.43Å; V409-Y411 WeakPolarHBondContact O-CD1 3.43Å; V409-Y411 WeakPolarHBondContact O-CE1 3.29Å; V409-N437 PolarHBondContact O-ND2 3.2Å
410E94.6Very high92.9Very high38 Ų3852.9 Ų52.918%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-99.6141.9175.3-69.1-176137.400111T336 V337 V338 Q339 N437 Y501T336-E410 HydrophobicContact CG2-CG 3.68Å; T336-E410 WeakPolarHBondContact CG2-OE2 3.36Å; V337-E410 PolarHBondContact O-N 2.83Å; V338-E410 CarbonylContact C-O 3.6Å; V338-E410 WeakPolarHBondContact CA-O 3.27Å; Q339-E410 PolarHBondContact N-O 2.83Å; E410-N437 CarbonylContact C-O 3.59Å; E410-N437 VanDerWaalsContact CA-O 3.26Å; E410-N437 WeakPolarHBondContact CA-O 3.42Å; E410-N437 WeakPolarHBondContact CB-O 3.39Å; E410-Y501 HydrophobicContact CB-CD2 4.19Å; E410-Y501 HydrophobicContact CB-CE2 3.58Å; E410-Y501 HydrophobicContact CG-CE2 4.3Å; E410-Y501 PolarHBondContact OE2-OH 2.86Å
411Y94.4Very high92.5Very high22 Ų2244 Ų449%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-156.7154.4-169.852.9-77.1000112.6Q339 P384 V409 V435 N437 N499Q339-Y411 VanDerWaalsContact OE1-CB 3.24Å; P384-Y411 HydrophobicContact CB-CD1 3.95Å; P384-Y411 HydrophobicContact CB-CE1 3.73Å; P384-Y411 HydrophobicContact CB-CE2 4.36Å; P384-Y411 HydrophobicContact CB-CG 4.4Å; P384-Y411 HydrophobicContact CG-CD1 3.72Å; P384-Y411 HydrophobicContact CG-CD2 3.96Å; P384-Y411 HydrophobicContact CG-CE1 3.99Å; P384-Y411 HydrophobicContact CG-CE2 4.19Å; P384-Y411 HydrophobicContact CG-CG 3.73Å; V409-Y411 WeakPolarHBondContact O-CD1 3.43Å; V409-Y411 WeakPolarHBondContact O-CE1 3.29Å; Y411-V435 HydrophobicContact CE2-CG1 4.46Å; Y411-N437 HydrophobicContact CD1-CB 3.89Å; Y411-N437 HydrophobicContact CE1-CB 3.5Å; Y411-N437 PolarHBondContact N-O 3.2Å; Y411-N499 PolarHBondContact O-ND2 2.03Å
412A93.4Very high91.9Very high37 Ų3745 Ų4531%0.30625%0.246SC..EExtended strand (participates in β ladder)trans-62.9147.8169.400000110.4
413P93.3Very high91.2Very high8 Ų845.9 Ų45.95%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-73153.6-17332.1-36.9000112.5V435 P440 M497 N499P413-V435 CarbonylContact C-O 3.57Å; P413-V435 VanDerWaalsContact CA-O 3.25Å; P413-V435 WeakPolarHBondContact CA-O 3.26Å; P413-P440 HydrophobicContact CB-CB 3.59Å; P413-P440 HydrophobicContact CB-CG 3.8Å; P413-P440 HydrophobicContact CG-CB 4.08Å; P413-M497 VanDerWaalsContact C-CE 3.46Å; P413-M497 HydrophobicContact CB-CE 4.23Å; P413-M497 HydrophobicContact CB-CG 4.28Å; P413-M497 HydrophobicContact CB-SD 3.81Å; P413-M497 HydrophobicContact CG-CB 4.47Å; P413-M497 HydrophobicContact CG-CE 4.27Å; P413-M497 HydrophobicContact CG-CG 3.99Å; P413-M497 HydrophobicContact CG-SD 4.11Å; P413-M497 WeakPolarHBondContact O-CE 3.4Å; P413-N499 WeakPolarHBondContact CD-OD1 3.32Å
414V92.3Very high90.3Very high77 Ų7747.3 Ų47.347%0.46726%0.257SS..EExtended strand (participates in β ladder)trans-129.5132.6-178.1-176.10000109.5A434 V435V414-A434 WeakPolarHBondContact O-CA 3.29Å; V414-V435 HydrophobicContact CB-CG1 4.37Å; V414-V435 PolarHBondContact N-O 3.12Å; V414-V435 PolarHBondContact O-N 3.39Å
415F92.4Very high89Confident40 Ų4057 Ų5718%0.17529%0.286CS..EExtended strand (participates in β ladder)trans-69138175.7-69.2-65.7000111.4C495 M497 E504 V506F415-C495 HydrophobicContact CE1-CB 4.18Å; F415-M497 HydrophobicContact CB-CE 4.48Å; F415-M497 HydrophobicContact CD1-CE 4.02Å; F415-M497 HydrophobicContact CD1-CG 4.36Å; F415-M497 HydrophobicContact CD1-SD 3.59Å; F415-M497 VanDerWaalsContact CD1-SD 3.59Å; F415-M497 HydrophobicContact CD2-CE 3.51Å; F415-M497 HydrophobicContact CD2-SD 4.21Å; F415-M497 HydrophobicContact CE1-CB 4.27Å; F415-M497 HydrophobicContact CE1-CE 4.06Å; F415-M497 HydrophobicContact CE1-CG 3.71Å; F415-M497 HydrophobicContact CE1-SD 3.56Å; F415-M497 VanDerWaalsContact CE1-SD 3.56Å; F415-M497 HydrophobicContact CE2-CE 3.58Å; F415-M497 HydrophobicContact CE2-CG 4.33Å; F415-M497 HydrophobicContact CE2-SD 4.2Å; F415-M497 HydrophobicContact CG-CE 3.74Å; F415-M497 HydrophobicContact CG-SD 3.91Å; F415-M497 HydrophobicContact CZ-CE 3.85Å; F415-M497 HydrophobicContact CZ-CG 3.69Å; F415-M497 HydrophobicContact CZ-SD 3.88Å; F415-E504 WeakPolarHBondContact CD2-OE2 3.33Å; F415-E504 HydrophobicContact CE2-CB 4.02Å; F415-E504 HydrophobicContact CE2-CG 3.93Å; F415-V506 HydrophobicContact CD1-CG1 4Å; F415-V506 HydrophobicContact CD2-CB 3.99Å; F415-V506 HydrophobicContact CD2-CG1 3.85Å; F415-V506 HydrophobicContact CE1-CG1 3.77Å; F415-V506 HydrophobicContact CE2-CB 3.59Å; F415-V506 HydrophobicContact CE2-CG1 3.59Å; F415-V506 HydrophobicContact CG-CG1 4.06Å; F415-V506 HydrophobicContact CZ-CB 3.97Å; F415-V506 HydrophobicContact CZ-CG1 3.55Å
416L90.9Very high87.9Confident56 Ų5663.6 Ų63.629%0.29332%0.316SS..  trans-97.5153.5170.2-50-173.4000111.2E418 S419 V433 V435 T470L416-E418 WeakPolarHBondContact CB-OE2 3.5Å; L416-E418 PolarHBondContact O-N 3.45Å; L416-S419 VanDerWaalsContact O-CB 3.23Å; L416-S419 WeakPolarHBondContact O-CB 3.19Å; L416-S419 PolarHBondContact O-N 3.34Å; L416-S419 PolarHBondContact O-OG 3.48Å; L416-V433 HydrophobicContact CB-CB 4.28Å; L416-V433 HydrophobicContact CB-CG1 4.35Å; L416-V433 HydrophobicContact CD1-CG1 3.83Å; L416-V433 HydrophobicContact CG-CG1 4.3Å; L416-V433 PolarHBondContact N-O 3.21Å; L416-V435 HydrophobicContact CD2-CB 4.26Å; L416-V435 HydrophobicContact CD2-CG1 3.81Å; L416-T470 HydrophobicContact CD1-CG2 4.22Å
417E87.3Confident87.1Confident183 Ų18360.3 Ų60.386%0.85530%0.302SS*.THydrogen-bonded Turntrans-65-9.9-174.8-60.8-169.9173.200114.5S419 K420E417-S419 PolarHBondContact O-N 2.99Å; E417-K420 PolarHBondContact O-NZ 2.96Å
418E88.3Confident86.7Confident104 Ų10460.9 Ų60.949%0.48631%0.305SS..THydrogen-bonded Turntrans-65.6-20.4168.6-69.372.2-157.800112.8L416 K420 V433L416-E418 WeakPolarHBondContact CB-OE2 3.5Å; L416-E418 PolarHBondContact O-N 3.45Å; E418-K420 VanDerWaalsContact O-CE 3.31Å; E418-K420 WeakPolarHBondContact O-CE 3.38Å; E418-K420 WeakPolarHBondContact O-CG 3.37Å; E418-K420 PolarHBondContact O-N 2.88Å; E418-K420 VanDerWaalsContact O-N 3.15Å; E418-V433 HydrophobicContact CB-CB 4.17Å; E418-V433 HydrophobicContact CB-CG2 3.61Å
419S90Very high86.3Confident21 Ų2160.4 Ų60.415%0.14730%0.299CS..  trans-67.9102.1-178.5-58.30000112.7L416 E417 V431 V433L416-S419 VanDerWaalsContact O-CB 3.23Å; L416-S419 WeakPolarHBondContact O-CB 3.19Å; L416-S419 PolarHBondContact O-N 3.34Å; L416-S419 PolarHBondContact O-OG 3.48Å; E417-S419 PolarHBondContact O-N 2.99Å; S419-V431 CarbonylContact C-O 3.6Å; S419-V431 WeakPolarHBondContact CA-O 3.39Å; S419-V433 PolarHBondContact OG-N 2.9Å; S419-V433 PolarHBondContact OG-O 2.93Å; S419-V433 VanDerWaalsContact OG-O 3.04Å
420K89.3Confident86Confident68 Ų6860.4 Ų60.430%0.29630%0.299SS..EExtended strand (participates in β ladder)trans-162.9161.2-179.259.3-143.7157.8-153.60113.7E417 E418 T422 C430 V431E417-K420 PolarHBondContact O-NZ 2.96Å; E418-K420 VanDerWaalsContact O-CE 3.31Å; E418-K420 WeakPolarHBondContact O-CE 3.38Å; E418-K420 WeakPolarHBondContact O-CG 3.37Å; E418-K420 PolarHBondContact O-N 2.88Å; E418-K420 VanDerWaalsContact O-N 3.15Å; K420-T422 HydrophobicContact CG-CG2 4.43Å; K420-C430 WeakPolarHBondContact O-CA 3.37Å; K420-V431 PolarHBondContact N-O 2.92Å; K420-V431 PolarHBondContact O-N 3.07Å
421C86.4Confident85.9Confident2 Ų260.1 Ų60.11%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-94.4142.2167.5-670000111.2V428 C430 L508 E509 L510 Q511C421-V428 HydrophobicContact CB-CG1 4.01Å; C421-C430 HydrophobicContact CB-CB 4.1Å; C421-C430 WeakPolarHBondContact CB-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CB 3.5Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 3.1Å; C421-L508 VanDerWaalsContact SG-CB 3.6Å; C421-E509 PolarHBondContact N-O 2.99Å; C421-L510 HydrophobicContact CB-CB 4.4Å; C421-L510 HydrophobicContact CB-CD1 3.76Å; C421-Q511 PolarHBondContact O-N 2.87Å
422T85.1Confident85.8Confident43 Ų4359.1 Ų59.126%0.26430%0.296SS..EExtended strand (participates in β ladder)trans-132.7140.7178.755.60000110.7K420 V428 Q429K420-T422 HydrophobicContact CG-CG2 4.43Å; T422-V428 WeakPolarHBondContact O-CA 3.38Å; T422-Q429 PolarHBondContact N-O 2.88Å; T422-Q429 PolarHBondContact O-N 3.31Å; T422-Q429 PolarHBondContact OG1-O 3.08Å
423V79.4Confident85.8Confident61 Ų6158 Ų5837%0.3729%0.286SS..EExtended strand (participates in β ladder)trans-79.9120.4173.6-1760000109.1L510V423-L510 HydrophobicContact CG2-CD1 3.89Å; V423-L510 HydrophobicContact CG2-CD2 4.28Å; V423-L510 HydrophobicContact CG2-CG 4.21Å
424V76.1Confident85.8Confident46 Ų4657.6 Ų57.628%0.27928%0.283SS..EExtended strand (participates in β ladder)trans-113.2168.9177.4-660000110.5E426 G427 Q429V424-E426 PolarHBondContact O-N 2.91Å; V424-G427 VanDerWaalsContact CG2-O 3.3Å; V424-G427 WeakPolarHBondContact CG2-O 3.47Å; V424-G427 PolarHBondContact N-O 2.02Å; V424-G427 PolarHBondContact O-N 3.2Å; V424-Q429 HydrophobicContact CG1-CB 3.8Å; V424-Q429 HydrophobicContact CG2-CB 4.01Å
425R68.4Low85.8Confident254 Ų25455.5 Ų55.596%0.95827%0.271SS*.THydrogen-bonded Turntrans-60.3-17.1-176.9-65-172.7-176.7-172.52.4115.3
426E69.7Low85.8Confident143 Ų14353.6 Ų53.667%0.66826%0.262SS*.THydrogen-bonded Turntrans-12429.1-177.9-61-172.7174.600112.7V424V424-E426 PolarHBondContact O-N 2.91Å
427G77.5Confident86Confident13 Ų1351.5 Ų51.513%0.13425%0.252CS..EExtended strand (participates in β ladder)trans124.8-139.8174.900000113.4V424 L477V424-G427 VanDerWaalsContact CG2-O 3.3Å; V424-G427 WeakPolarHBondContact CG2-O 3.47Å; V424-G427 PolarHBondContact N-O 2.02Å; V424-G427 PolarHBondContact O-N 3.2Å; G427-L477 WeakPolarHBondContact CA-O 3.35Å
428V83.3Confident86.3Confident14 Ų1444.6 Ų44.69%0.08522%0.222CC..EExtended strand (participates in β ladder)trans-112.1131.5178.9179.50000109.9C421 T422 L477 L510C421-V428 HydrophobicContact CB-CG1 4.01Å; T422-V428 WeakPolarHBondContact O-CA 3.38Å; V428-L477 HydrophobicContact CB-CB 4.39Å; V428-L477 PolarHBondContact N-O 3.02Å; V428-L477 PolarHBondContact O-N 3.36Å; V428-L510 HydrophobicContact CG1-CD1 3.71Å; V428-L510 HydrophobicContact CG2-CD1 4.22Å
429Q86.4Confident86.4Confident38 Ų3843.5 Ų43.518%0.17822%0.217CC..EExtended strand (participates in β ladder)trans-111.7116.1172.9178.7178.1-63.300108.8T422 V424 M474 I475 K476T422-Q429 PolarHBondContact N-O 2.88Å; T422-Q429 PolarHBondContact O-N 3.31Å; T422-Q429 PolarHBondContact OG1-O 3.08Å; V424-Q429 HydrophobicContact CG1-CB 3.8Å; V424-Q429 HydrophobicContact CG2-CB 4.01Å; Q429-M474 HydrophobicContact CG-CE 4.46Å; Q429-M474 HydrophobicContact CG-CG 3.92Å; Q429-M474 HydrophobicContact CG-SD 3.66Å; Q429-M474 PolarHBondContact NE2-SD 3.15Å; Q429-I475 WeakPolarHBondContact CA-O 3.09Å; Q429-K476 HydrophobicContact CB-CG 4.49Å; Q429-K476 HydrophobicContact CG-CG 4.22Å
430C88.6Confident86.5Confident0 Ų042.8 Ų42.80%021%0.212CC..EExtended strand (participates in β ladder)trans-105.8129.8174.6-54.80000110K420 C421 F444 M474 I475 V493 L508K420-C430 WeakPolarHBondContact O-CA 3.37Å; C421-C430 HydrophobicContact CB-CB 4.1Å; C421-C430 WeakPolarHBondContact CB-SG 3.38Å; C421-C430 WeakPolarHBondContact SG-CB 3.5Å; C421-C430 CovalentContact SG-SG 2.04Å; C421-C430 PolarHBondContact SG-SG 3.1Å; C430-F444 HydrophobicContact CB-CE1 4.41Å; C430-M474 CarbonylContact O-C 3.52Å; C430-M474 VanDerWaalsContact O-CA 3.3Å; C430-M474 WeakPolarHBondContact O-CA 3.07Å; C430-M474 WeakPolarHBondContact O-CG 3.43Å; C430-I475 HydrophobicContact CB-CG2 3.83Å; C430-I475 PolarHBondContact N-O 3.25Å; C430-I475 PolarHBondContact O-N 2.82Å; C430-V493 HydrophobicContact CB-CG1 4.24Å; C430-L508 HydrophobicContact CB-CD1 3.92Å
431V91.3Very high86.7Confident33 Ų3343 Ų4320%0.222%0.219CC..EExtended strand (participates in β ladder)trans-110.1139.7172.1-175.90000107S419 K420 V433 T472 A473 M474S419-V431 CarbonylContact C-O 3.6Å; S419-V431 WeakPolarHBondContact CA-O 3.39Å; K420-V431 PolarHBondContact N-O 2.92Å; K420-V431 PolarHBondContact O-N 3.07Å; V431-V433 HydrophobicContact CG1-CG2 3.81Å; V431-T472 HydrophobicContact CG1-CG2 4.06Å; V431-A473 WeakPolarHBondContact CA-O 3.4Å; V431-M474 HydrophobicContact CG2-CB 4.38Å; V431-M474 HydrophobicContact CG2-CG 3.83Å; V431-M474 HydrophobicContact CG2-SD 3.98Å
432C92.7Very high87Confident0 Ų043.2 Ų43.20%022%0.22CC..EExtended strand (participates in β ladder)trans-129.6130.3170.5-174.40000108.1I442 F444 T472 A473 C495 L508C432-I442 HydrophobicContact CB-CG2 4.28Å; C432-F444 HydrophobicContact CB-CE1 3.75Å; C432-F444 HydrophobicContact CB-CZ 3.85Å; C432-T472 WeakPolarHBondContact O-CA 3.5Å; C432-A473 PolarHBondContact N-O 3.29Å; C432-A473 PolarHBondContact O-N 3.44Å; C432-C495 HydrophobicContact CB-CB 3.7Å; C432-C495 WeakPolarHBondContact CB-SG 3.29Å; C432-C495 WeakPolarHBondContact SG-CB 3.35Å; C432-C495 CovalentContact SG-SG 2.02Å; C432-C495 PolarHBondContact SG-SG 3.5Å; C432-L508 HydrophobicContact CB-CD1 4.44Å
433V93.4Very high87.3Confident13 Ų1342.4 Ų42.48%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-128.9126.4-177.2-167.10000108L416 E418 S419 V431 T470 S471 T472L416-V433 HydrophobicContact CB-CB 4.28Å; L416-V433 HydrophobicContact CB-CG1 4.35Å; L416-V433 HydrophobicContact CD1-CG1 3.83Å; L416-V433 HydrophobicContact CG-CG1 4.3Å; L416-V433 PolarHBondContact N-O 3.21Å; E418-V433 HydrophobicContact CB-CB 4.17Å; E418-V433 HydrophobicContact CB-CG2 3.61Å; S419-V433 PolarHBondContact OG-N 2.9Å; S419-V433 PolarHBondContact OG-O 2.93Å; S419-V433 VanDerWaalsContact OG-O 3.04Å; V431-V433 HydrophobicContact CG1-CG2 3.81Å; V433-T470 HydrophobicContact CG1-CG2 3.74Å; V433-S471 WeakPolarHBondContact CA-O 3.3Å; V433-T472 HydrophobicContact CG2-CG2 4.24Å
434A93.4Very high87.8Confident0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-132.3142.7-178.300000109.9V414 P440 I442 S471 M497V414-A434 WeakPolarHBondContact O-CA 3.29Å; A434-P440 HydrophobicContact CB-CB 4.41Å; A434-P440 HydrophobicContact CB-CG 3.8Å; A434-I442 HydrophobicContact CB-CD1 4.03Å; A434-I442 HydrophobicContact CB-CG1 4.49Å; A434-S471 PolarHBondContact N-O 2.85Å; A434-S471 PolarHBondContact O-N 2.99Å; A434-M497 HydrophobicContact CB-CB 4.24Å; A434-M497 HydrophobicContact CB-CG 4.46Å; A434-M497 HydrophobicContact CB-SD 3.37Å; A434-M497 WeakPolarHBondContact CB-SD 3.42Å
435V93.1Very high88.3Confident34 Ų3440.9 Ų40.921%0.20620%0.196CC..EExtended strand (participates in β ladder)trans-111.5136169.9730000109.3Y411 P413 V414 L416 H469Y411-V435 HydrophobicContact CE2-CG1 4.46Å; P413-V435 CarbonylContact C-O 3.57Å; P413-V435 VanDerWaalsContact CA-O 3.25Å; P413-V435 WeakPolarHBondContact CA-O 3.26Å; V414-V435 HydrophobicContact CB-CG1 4.37Å; V414-V435 PolarHBondContact N-O 3.12Å; V414-V435 PolarHBondContact O-N 3.39Å; L416-V435 HydrophobicContact CD2-CB 4.26Å; L416-V435 HydrophobicContact CD2-CG1 3.81Å; V435-H469 WeakPolarHBondContact CA-O 3.35Å; V435-H469 HydrophobicContact CG2-CB 4.25Å
436G92.4Very high89.2Confident0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-173150.3-178.700000111.5P438 E439 H469G436-P438 CarbonylContact C-O 3.55Å; G436-P438 VanDerWaalsContact C-O 3.27Å; G436-P438 CarbonylContact O-C 3.49Å; G436-E439 WeakPolarHBondContact O-CA 3.44Å; G436-H469 PolarHBondContact N-O 3.08Å; G436-H469 WeakPolarHBondContact O-CB 3.38Å
437N93.6Very high89.6Confident12 Ų1224.1 Ų24.16%0.06413%0.133CC..EExtended strand (participates in β ladder)trans-131.9117.3178.2-177.327.9000109.8T408 V409 E410 Y411 H469T408-N437 WeakPolarHBondContact CG2-ND2 3.4Å; V409-N437 PolarHBondContact O-ND2 3.2Å; E410-N437 CarbonylContact C-O 3.59Å; E410-N437 VanDerWaalsContact CA-O 3.26Å; E410-N437 WeakPolarHBondContact CA-O 3.42Å; E410-N437 WeakPolarHBondContact CB-O 3.39Å; Y411-N437 HydrophobicContact CD1-CB 3.89Å; Y411-N437 HydrophobicContact CE1-CB 3.5Å; Y411-N437 PolarHBondContact N-O 3.2Å; N437-H469 VanDerWaalsContact CG-CE1 3.44Å; N437-H469 PolarHBondContact OD1-CE1 3.5Å; N437-H469 VanDerWaalsContact OD1-CE1 3.27Å
438P93.2Very high89.7Confident37 Ų3727.7 Ų27.724%0.2415%0.149CC..SBendcis-58.9162.7-5.9-26.135.7000114.4G436 N499 I500G436-P438 CarbonylContact C-O 3.55Å; G436-P438 VanDerWaalsContact C-O 3.27Å; G436-P438 CarbonylContact O-C 3.49Å; P438-N499 WeakPolarHBondContact O-CB 3.47Å; P438-N499 PolarHBondContact O-ND2 3.37Å; P438-I500 HydrophobicContact CG-CD1 4.22Å; P438-I500 HydrophobicContact CG-CG1 4.48Å
439E91.4Very high89.3Confident82 Ų8231.6 Ų31.638%0.38317%0.169SC..PPolyproline II helixtrans-56.9129.5-171.6-68.864.8-142.200112.4G436 T441 G468 H469G436-E439 WeakPolarHBondContact O-CA 3.44Å; E439-T441 PolarHBondContact O-N 2.94Å; E439-G468 WeakPolarHBondContact CG-O 3.4Å; E439-H469 IonicContact OE1-CE1 2.7Å; E439-H469 IonicContact OE1-CG 2.71Å; E439-H469 IonicContact OE1-ND1 3.26Å; E439-H469 PolarHBondContact OE1-ND1 2.83Å
440P92.9Very high89Confident5 Ų535.8 Ų35.83%0.03219%0.192CC..PPolyproline II helixtrans-72.3130.3-177.219.5-25.7000114P413 A434 S471 M497 Y498P413-P440 HydrophobicContact CB-CB 3.59Å; P413-P440 HydrophobicContact CB-CG 3.8Å; P413-P440 HydrophobicContact CG-CB 4.08Å; A434-P440 HydrophobicContact CB-CB 4.41Å; A434-P440 HydrophobicContact CB-CG 3.8Å; P440-S471 WeakPolarHBondContact O-CB 3.15Å; P440-S471 PolarHBondContact O-OG 2.87Å; P440-M497 HydrophobicContact CB-CB 4.43Å; P440-Y498 WeakPolarHBondContact CA-O 3.39Å
441T92.4Very high88.7Confident72 Ų7237.9 Ų37.944%0.44220%0.203SC..EExtended strand (participates in β ladder)trans-72130.9163-58.50000109.1E439 M497 Y498E439-T441 PolarHBondContact O-N 2.94Å; T441-M497 CarbonylContact O-C 3.57Å; T441-M497 WeakPolarHBondContact O-CA 3.47Å; T441-Y498 HydrophobicContact CG2-CE1 3.78Å; T441-Y498 HydrophobicContact CG2-CE2 4.32Å; T441-Y498 WeakPolarHBondContact CG2-OH 3.29Å; T441-Y498 PolarHBondContact N-O 2.84Å; T441-Y498 WeakPolarHBondContact O-CD1 3.48Å; T441-Y498 PolarHBondContact O-N 2.85Å
442I92.5Very high88.4Confident8 Ų840.4 Ų40.44%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-116132.5-178.8-58.3174000110.2C432 A434 S471 A473 C495 S496 M497C432-I442 HydrophobicContact CB-CG2 4.28Å; A434-I442 HydrophobicContact CB-CD1 4.03Å; A434-I442 HydrophobicContact CB-CG1 4.49Å; I442-S471 VanDerWaalsContact CD1-O 3.27Å; I442-S471 WeakPolarHBondContact CD1-O 3.22Å; I442-A473 HydrophobicContact CB-CB 3.8Å; I442-A473 HydrophobicContact CD1-CB 4.21Å; I442-A473 HydrophobicContact CG2-CB 3.53Å; I442-C495 WeakPolarHBondContact CG2-SG 3.17Å; I442-S496 WeakPolarHBondContact CA-O 3.36Å; I442-M497 HydrophobicContact CG1-CB 4.22Å
443E91.9Very high88Confident25 Ų2540.8 Ų40.812%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-132.1138.1175.664.7-168.415900110.7N454 S496 Y498 R503E443-N454 HydrophobicContact CB-CB 4.13Å; E443-S496 PolarHBondContact N-O 2.87Å; E443-S496 PolarHBondContact O-N 2.84Å; E443-Y498 HydrophobicContact CG-CE1 4.39Å; E443-Y498 WeakPolarHBondContact OE1-CE1 3.49Å; E443-R503 IonicContact OE1-CZ 2.71Å; E443-R503 VanDerWaalsContact OE1-CZ 3.22Å; E443-R503 IonicContact OE1-NH1 2.85Å; E443-R503 PolarHBondContact OE1-NH1 3.26Å; E443-R503 IonicContact OE1-NH2 3.22Å; E443-R503 PolarHBondContact OE1-NH2 2.89Å
444F89.6Confident87.3Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-93.8133.8173.5-66.2-78.3000110.3C430 C432 L446 T452 I453 F462 A473 I475 V493 H494 C495 L508C430-F444 HydrophobicContact CB-CE1 4.41Å; C432-F444 HydrophobicContact CB-CE1 3.75Å; C432-F444 HydrophobicContact CB-CZ 3.85Å; F444-L446 HydrophobicContact CB-CD1 4.38Å; F444-T452 CarbonylContact O-C 3.56Å; F444-T452 WeakPolarHBondContact O-CA 3.06Å; F444-I453 HydrophobicContact CB-CB 4.47Å; F444-I453 PolarHBondContact N-O 3.12Å; F444-I453 PolarHBondContact O-N 3.22Å; F444-F462 AromaticContact CD2-CD2 3.9Å; F444-F462 HydrophobicContact CD2-CD2 3.9Å; F444-F462 AromaticContact CD2-CE2 3.71Å; F444-F462 HydrophobicContact CD2-CE2 3.71Å; F444-F462 HydrophobicContact CE2-CD2 4.06Å; F444-F462 AromaticContact CE2-CE2 3.84Å; F444-F462 HydrophobicContact CE2-CE2 3.84Å; F444-A473 HydrophobicContact CE2-CB 3.72Å; F444-A473 HydrophobicContact CZ-CB 4.04Å; F444-I475 HydrophobicContact CB-CG2 4.5Å; F444-I475 HydrophobicContact CD1-CG2 3.91Å; F444-I475 HydrophobicContact CD2-CB 3.81Å; F444-I475 HydrophobicContact CD2-CG2 3.72Å; F444-I475 HydrophobicContact CE1-CG2 3.94Å; F444-I475 HydrophobicContact CE2-CB 3.86Å; F444-I475 HydrophobicContact CE2-CG2 3.77Å; F444-I475 HydrophobicContact CG-CB 4.33Å; F444-I475 HydrophobicContact CG-CG2 3.79Å; F444-I475 HydrophobicContact CZ-CB 4.42Å; F444-I475 HydrophobicContact CZ-CG2 3.88Å; F444-V493 HydrophobicContact CB-CG1 4.43Å; F444-V493 HydrophobicContact CD1-CG1 3.67Å; F444-V493 HydrophobicContact CE1-CG1 4.39Å; F444-V493 HydrophobicContact CG-CG1 4.42Å; F444-H494 CarbonylContact C-O 3.47Å; F444-H494 WeakPolarHBondContact CA-O 3.14Å; F444-C495 HydrophobicContact CD1-CB 4.34Å; F444-C495 HydrophobicContact CE1-CB 4.33Å; F444-L508 HydrophobicContact CD1-CD1 4.38Å; F444-L508 HydrophobicContact CE1-CD1 3.86Å
445Y87.4Confident86.6Confident75 Ų7550.6 Ų50.629%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-116.3124.5173.2172.8-116.2000110.5P447 N450 T452 H494Y445-P447 HydrophobicContact CE1-CB 3.73Å; Y445-P447 HydrophobicContact CE1-CG 4.37Å; Y445-P447 WeakPolarHBondContact O-CD 3.33Å; Y445-N450 PolarHBondContact OH-OD1 2.88Å; Y445-T452 HydrophobicContact CD2-CG2 3.81Å; Y445-T452 HydrophobicContact CG-CG2 4.43Å; Y445-H494 HydrophobicContact CD1-CB 4.3Å; Y445-H494 PolarHBondContact N-O 3.47Å; Y445-H494 PolarHBondContact O-N 3.09Å
446L85.7Confident85.6Confident1 Ų154 Ų541%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-106.296.7176.6-7873.2000108.5F444 D448 L449 N450 I451 I453 I475 L477 V491 V493F444-L446 HydrophobicContact CB-CD1 4.38Å; L446-D448 VanDerWaalsContact C-N 3.26Å; L446-D448 PolarHBondContact O-N 3.41Å; L446-L449 HydrophobicContact CB-CB 4.36Å; L446-L449 HydrophobicContact CD2-CD1 3.91Å; L446-L449 PolarHBondContact O-N 2.82Å; L446-L449 VanDerWaalsContact O-N 3.17Å; L446-N450 WeakPolarHBondContact O-CA 3.48Å; L446-N450 PolarHBondContact O-N 3.33Å; L446-I451 PolarHBondContact N-O 2.64Å; L446-I451 PolarHBondContact O-N 2.87Å; L446-I453 HydrophobicContact CD1-CD1 4.01Å; L446-I475 HydrophobicContact CD1-CD1 4.44Å; L446-L477 HydrophobicContact CD2-CD1 4.18Å; L446-L477 HydrophobicContact CD2-CD2 3.76Å; L446-V491 HydrophobicContact CD2-CG1 3.79Å; L446-V491 HydrophobicContact CG-CG1 4.16Å; L446-V493 HydrophobicContact CD1-CG1 4.49Å; L446-V493 HydrophobicContact CG-CG2 4.38Å
447P79.4Confident84.2Confident45 Ų4557.7 Ų57.729%0.29231%0.309SS..THydrogen-bonded Turntrans-62.3-33-178.724.6-35000112.5Y445 L449 N450 N492Y445-P447 HydrophobicContact CE1-CB 3.73Å; Y445-P447 HydrophobicContact CE1-CG 4.37Å; Y445-P447 WeakPolarHBondContact O-CD 3.33Å; P447-L449 PolarHBondContact O-N 2.82Å; P447-L449 VanDerWaalsContact O-N 3.15Å; P447-N450 PolarHBondContact O-N 2.94Å; P447-N450 VanDerWaalsContact O-N 3.15Å; P447-N492 WeakPolarHBondContact CD-O 3.23Å; P447-N492 HydrophobicContact CG-CB 3.82Å
448D78.3Confident82.7Confident88 Ų8860.8 Ų60.847%0.47134%0.344SS..THydrogen-bonded Turntrans-65.1-18.9179.9-44.1-49.4000112.8L446 N492L446-D448 VanDerWaalsContact C-N 3.26Å; L446-D448 PolarHBondContact O-N 3.41Å; D448-N492 PolarHBondContact OD1-ND2 2.84Å; D448-N492 WeakPolarHBondContact OD2-CB 3.28Å; D448-N492 PolarHBondContact OD2-N 2.81Å; D448-N492 PolarHBondContact OD2-ND2 2.66Å
449L75.9Confident81.3Confident96 Ų9666.3 Ų66.350%0.50336%0.36SS..THydrogen-bonded Turntrans-113.1-12.3174.4-60.9179.8000113.2L446 P447 I451 F460L446-L449 HydrophobicContact CB-CB 4.36Å; L446-L449 HydrophobicContact CD2-CD1 3.91Å; L446-L449 PolarHBondContact O-N 2.82Å; L446-L449 VanDerWaalsContact O-N 3.17Å; P447-L449 PolarHBondContact O-N 2.82Å; P447-L449 VanDerWaalsContact O-N 3.15Å; L449-I451 HydrophobicContact CB-CB 4.44Å; L449-I451 HydrophobicContact CB-CD1 4.02Å; L449-I451 HydrophobicContact CB-CG1 4.05Å; L449-F460 HydrophobicContact CD1-CZ 3.95Å
450N80Confident80.4Confident125 Ų12563.7 Ų63.767%0.66835%0.347SS*.THydrogen-bonded Turntrans50.351.4-167-167.725.3000113.2Y445 L446 P447Y445-N450 PolarHBondContact OH-OD1 2.88Å; L446-N450 WeakPolarHBondContact O-CA 3.48Å; L446-N450 PolarHBondContact O-N 3.33Å; P447-N450 PolarHBondContact O-N 2.94Å; P447-N450 VanDerWaalsContact O-N 3.15Å
451I82.8Confident79.6Confident44 Ų4466 Ų6623%0.22636%0.359CS..EExtended strand (participates in β ladder)trans-126.9131.1-179.6-61.5176.4000110.2L446 L449 I453L446-I451 PolarHBondContact N-O 2.64Å; L446-I451 PolarHBondContact O-N 2.87Å; L449-I451 HydrophobicContact CB-CB 4.44Å; L449-I451 HydrophobicContact CB-CD1 4.02Å; L449-I451 HydrophobicContact CB-CG1 4.05Å; I451-I453 HydrophobicContact CG2-CD1 4.26Å; I451-I453 HydrophobicContact CG2-CG1 3.75Å
452T84.4Confident79.2Confident86 Ų8663 Ų6353%0.52834%0.34SS..EExtended strand (participates in β ladder)trans-92.6142.7162.647.70000110.8F444 Y445F444-T452 CarbonylContact O-C 3.56Å; F444-T452 WeakPolarHBondContact O-CA 3.06Å; Y445-T452 HydrophobicContact CD2-CG2 3.81Å; Y445-T452 HydrophobicContact CG-CG2 4.43Å
453I83.6Confident78.9Confident8 Ų868.1 Ų68.14%0.04136%0.36CS..EExtended strand (participates in β ladder)trans-135.8107.1-175-54175.9000108.7F444 L446 I451 F460 F462 I475F444-I453 HydrophobicContact CB-CB 4.47Å; F444-I453 PolarHBondContact N-O 3.12Å; F444-I453 PolarHBondContact O-N 3.22Å; L446-I453 HydrophobicContact CD1-CD1 4.01Å; I451-I453 HydrophobicContact CG2-CD1 4.26Å; I451-I453 HydrophobicContact CG2-CG1 3.75Å; I453-F460 HydrophobicContact CD1-CB 4.22Å; I453-F460 HydrophobicContact CD1-CD1 4.38Å; I453-F460 HydrophobicContact CD1-CD2 3.43Å; I453-F460 VanDerWaalsContact CD1-CD2 3.43Å; I453-F460 HydrophobicContact CD1-CE2 3.78Å; I453-F460 HydrophobicContact CD1-CG 3.76Å; I453-F460 HydrophobicContact CD1-CZ 4.39Å; I453-F460 HydrophobicContact CG1-CD2 4.39Å; I453-F462 HydrophobicContact CG2-CB 4.29Å; I453-F462 HydrophobicContact CG2-CD2 4.15Å; I453-F462 HydrophobicContact CG2-CG 4.46Å; I453-I475 HydrophobicContact CB-CD1 4.29Å; I453-I475 HydrophobicContact CD1-CD1 3.4Å; I453-I475 HydrophobicContact CG1-CD1 4.41Å; I453-I475 HydrophobicContact CG2-CD1 4.09Å
454N79.6Confident78.7Confident82 Ų8271.3 Ų71.344%0.43938%0.381SS..SBendtrans-122.2-5.3-179.962.3-27.4000112.7E443 F462E443-N454 HydrophobicContact CB-CB 4.13Å; N454-F462 VanDerWaalsContact C-CE1 3.42Å; N454-F462 WeakPolarHBondContact O-CE1 3.45Å; N454-F462 WeakPolarHBondContact O-CZ 3.13Å
455E78.6Confident78.8Confident138 Ų13877.2 Ų77.265%0.64541%0.408SS*.SBendtrans-146.6170.8-178.2-68.2-172.4-173.200111.2D457E455-D457 PolarHBondContact O-N 2.83Å
456T73Confident78.8Confident106 Ų10677.8 Ų77.865%0.6542%0.42SS*.  trans-8093.8175.1500000112.9F462T456-F462 HydrophobicContact CG2-CB 4.1Å; T456-F462 WeakPolarHBondContact CG2-O 3.24Å
457D62.1Low78.9Confident76 Ų7683.4 Ų83.441%0.40645%0.45SS..  trans-86.5149.6161.7178.427000111E455 R459 F460E455-D457 PolarHBondContact O-N 2.83Å; D457-R459 PolarHBondContact O-N 2.86Å; D457-R459 IonicContact OD2-CZ 3.14Å; D457-R459 IonicContact OD2-NE 2.72Å; D457-R459 PolarHBondContact OD2-NE 3.13Å; D457-R459 IonicContact OD2-NH2 2.72Å; D457-R459 PolarHBondContact OD2-NH2 3.08Å; D457-F460 PolarHBondContact O-N 2.89Å
458G61.8Low79.3Confident77 Ų7783.8 Ų83.879%0.79446%0.462SS*.THydrogen-bonded Turntrans-62.93.6-17700000116
459R64.8Low79.8Confident153 Ų15382.7 Ų82.758%0.57745%0.454SS*.THydrogen-bonded Turntrans-94.6-30.1171-69.9177.3-74.4179.7-0.3113.1D457D457-R459 PolarHBondContact O-N 2.86Å; D457-R459 IonicContact OD2-CZ 3.14Å; D457-R459 IonicContact OD2-NE 2.72Å; D457-R459 PolarHBondContact OD2-NE 3.13Å; D457-R459 IonicContact OD2-NH2 2.72Å; D457-R459 PolarHBondContact OD2-NH2 3.08Å
460F72.4Confident80.5Confident28 Ų2880.4 Ų80.412%0.12344%0.444CS..SBendtrans-140.8131-170.5-57.1-73.2000112.1L449 I453 D457 F462 I475 L477L449-F460 HydrophobicContact CD1-CZ 3.95Å; I453-F460 HydrophobicContact CD1-CB 4.22Å; I453-F460 HydrophobicContact CD1-CD1 4.38Å; I453-F460 HydrophobicContact CD1-CD2 3.43Å; I453-F460 VanDerWaalsContact CD1-CD2 3.43Å; I453-F460 HydrophobicContact CD1-CE2 3.78Å; I453-F460 HydrophobicContact CD1-CG 3.76Å; I453-F460 HydrophobicContact CD1-CZ 4.39Å; I453-F460 HydrophobicContact CG1-CD2 4.39Å; D457-F460 PolarHBondContact O-N 2.89Å; F460-F462 PolarHBondContact O-N 2.71Å; F460-I475 HydrophobicContact CB-CD1 4.19Å; F460-I475 HydrophobicContact CB-CG1 4.41Å; F460-I475 HydrophobicContact CD1-CD1 4.5Å; F460-I475 HydrophobicContact CG-CD1 4.41Å; F460-L477 HydrophobicContact CD1-CD2 3.65Å; F460-L477 HydrophobicContact CE1-CD2 3.75Å
461N76.3Confident81.1Confident52 Ų5274.7 Ų74.728%0.27841%0.414SS..EExtended strand (participates in β ladder)trans-82.799.7174.3-72.141.1000109.4Y463 I475 K476N461-Y463 HydrophobicContact CB-CE2 3.73Å; N461-Y463 PolarHBondContact ND2-OH 2.56Å; N461-I475 WeakPolarHBondContact O-CA 3.38Å; N461-K476 HydrophobicContact CB-CB 4.32Å; N461-K476 PolarHBondContact O-N 2.77Å
462F84.3Confident81.5Confident9 Ų974.8 Ų74.84%0.03942%0.417CS..EExtended strand (participates in β ladder)trans-91.2145.3169.5-177.8-102.5000110.4F444 I453 N454 T456 F460 T464 A473 M474F444-F462 AromaticContact CD2-CD2 3.9Å; F444-F462 HydrophobicContact CD2-CD2 3.9Å; F444-F462 AromaticContact CD2-CE2 3.71Å; F444-F462 HydrophobicContact CD2-CE2 3.71Å; F444-F462 HydrophobicContact CE2-CD2 4.06Å; F444-F462 AromaticContact CE2-CE2 3.84Å; F444-F462 HydrophobicContact CE2-CE2 3.84Å; I453-F462 HydrophobicContact CG2-CB 4.29Å; I453-F462 HydrophobicContact CG2-CD2 4.15Å; I453-F462 HydrophobicContact CG2-CG 4.46Å; N454-F462 VanDerWaalsContact C-CE1 3.42Å; N454-F462 WeakPolarHBondContact O-CE1 3.45Å; N454-F462 WeakPolarHBondContact O-CZ 3.13Å; T456-F462 HydrophobicContact CG2-CB 4.1Å; T456-F462 WeakPolarHBondContact CG2-O 3.24Å; F460-F462 PolarHBondContact O-N 2.71Å; F462-T464 HydrophobicContact CD1-CG2 4.47Å; F462-T464 HydrophobicContact CE1-CG2 3.44Å; F462-T464 VanDerWaalsContact CE1-CG2 3.44Å; F462-T464 HydrophobicContact CE2-CG2 4.42Å; F462-T464 HydrophobicContact CZ-CG2 3.42Å; F462-T464 VanDerWaalsContact CZ-CG2 3.42Å; F462-A473 HydrophobicContact CE2-CB 4.1Å; F462-A473 HydrophobicContact CZ-CB 4.28Å; F462-M474 CarbonylContact C-O 3.5Å; F462-M474 WeakPolarHBondContact CA-O 3.25Å
463Y84.7Confident81.9Confident116 Ų11670.7 Ų70.746%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-142.4132.8175-58.3-85.8000108.7N461 A473 M474N461-Y463 HydrophobicContact CB-CE2 3.73Å; N461-Y463 PolarHBondContact ND2-OH 2.56Å; Y463-A473 CarbonylContact O-C 3.44Å; Y463-A473 WeakPolarHBondContact O-CA 3.42Å; Y463-M474 HydrophobicContact CD2-CE 3.58Å; Y463-M474 HydrophobicContact CE2-CE 3.98Å; Y463-M474 HydrophobicContact CG-CE 4.4Å; Y463-M474 PolarHBondContact N-O 3.49Å; Y463-M474 PolarHBondContact O-N 3.14Å
464T89Confident82.1Confident93 Ų9372 Ų7257%0.57140%0.398SS*.EExtended strand (participates in β ladder)trans-120.9147171.534.90000111.1F462 T472 A473F462-T464 HydrophobicContact CD1-CG2 4.47Å; F462-T464 HydrophobicContact CE1-CG2 3.44Å; F462-T464 VanDerWaalsContact CE1-CG2 3.44Å; F462-T464 HydrophobicContact CE2-CG2 4.42Å; F462-T464 HydrophobicContact CZ-CG2 3.42Å; F462-T464 VanDerWaalsContact CZ-CG2 3.42Å; T464-T472 CarbonylContact C-O 3.48Å; T464-T472 VanDerWaalsContact CA-O 3.32Å; T464-T472 WeakPolarHBondContact CA-O 3.43Å; T464-A473 HydrophobicContact CG2-CB 3.9Å
465H90.2Very high82.5Confident123 Ų12368.1 Ų68.157%0.56938%0.377SS*.EExtended strand (participates in β ladder)trans-148.3130.8172.2-179.440.6000109.1T472H465-T472 PolarHBondContact N-O 3.16Å; H465-T472 PolarHBondContact O-N 2.8Å
466T89.1Confident82.7Confident88 Ų8865.2 Ų65.254%0.5436%0.362SS..EExtended strand (participates in β ladder)trans-112.6127.3175.352.70000108.8T470T466-T470 CarbonylContact C-O 3.53Å; T466-T470 WeakPolarHBondContact CA-O 3.5Å
467D87.1Confident82.9Confident119 Ų11960.9 Ų60.964%0.63634%0.335SS*.EExtended strand (participates in β ladder)trans-131.2106.1176-171.118.5000109H469 T470D467-H469 PolarHBondContact O-N 2.96Å; D467-T470 PolarHBondContact N-O 3.19Å; D467-T470 WeakPolarHBondContact O-CB 3.08Å; D467-T470 PolarHBondContact O-N 3.21Å
468G86.7Confident83.1Confident53 Ų5364.2 Ų64.255%0.54634%0.342SS..THydrogen-bonded Turntrans48.3-135.9-159.700000111.6E439 T470E439-G468 WeakPolarHBondContact CG-O 3.4Å; G468-T470 PolarHBondContact O-N 3.33Å; G468-T470 VanDerWaalsContact O-N 3.15Å
469H88.9Confident82.9Confident65 Ų6567.5 Ų67.530%0.30134%0.336SS..THydrogen-bonded Turntrans-71.61.6177.2-56.8-41.2000114.7V435 G436 N437 E439 D467V435-H469 WeakPolarHBondContact CA-O 3.35Å; V435-H469 HydrophobicContact CG2-CB 4.25Å; G436-H469 PolarHBondContact N-O 3.08Å; G436-H469 WeakPolarHBondContact O-CB 3.38Å; N437-H469 VanDerWaalsContact CG-CE1 3.44Å; N437-H469 PolarHBondContact OD1-CE1 3.5Å; N437-H469 VanDerWaalsContact OD1-CE1 3.27Å; E439-H469 IonicContact OE1-CE1 2.7Å; E439-H469 IonicContact OE1-CG 2.71Å; E439-H469 IonicContact OE1-ND1 3.26Å; E439-H469 PolarHBondContact OE1-ND1 2.83Å; D467-H469 PolarHBondContact O-N 2.96Å
470T90.9Very high81.7Confident47 Ų4769 Ų6929%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-97.4118.6179.6-48.30000110.4L416 V433 T466 D467 G468L416-T470 HydrophobicContact CD1-CG2 4.22Å; V433-T470 HydrophobicContact CG1-CG2 3.74Å; T466-T470 CarbonylContact C-O 3.53Å; T466-T470 WeakPolarHBondContact CA-O 3.5Å; D467-T470 PolarHBondContact N-O 3.19Å; D467-T470 WeakPolarHBondContact O-CB 3.08Å; D467-T470 PolarHBondContact O-N 3.21Å; G468-T470 PolarHBondContact O-N 3.33Å; G468-T470 VanDerWaalsContact O-N 3.15Å
471S92.4Very high80.1Confident5 Ų571.1 Ų71.14%0.03538%0.378CS..EExtended strand (participates in β ladder)trans-105127.7172.9-60.20000110.4V433 A434 P440 I442V433-S471 WeakPolarHBondContact CA-O 3.3Å; A434-S471 PolarHBondContact N-O 2.85Å; A434-S471 PolarHBondContact O-N 2.99Å; P440-S471 WeakPolarHBondContact O-CB 3.15Å; P440-S471 PolarHBondContact O-OG 2.87Å; I442-S471 VanDerWaalsContact CD1-O 3.27Å; I442-S471 WeakPolarHBondContact CD1-O 3.22Å
472T92.7Very high78Confident47 Ų4778 Ų7829%0.28841%0.408SS..EExtended strand (participates in β ladder)trans-113.5127.1172.9-62.90000109.1V431 C432 V433 T464 H465V431-T472 HydrophobicContact CG1-CG2 4.06Å; C432-T472 WeakPolarHBondContact O-CA 3.5Å; V433-T472 HydrophobicContact CG2-CG2 4.24Å; T464-T472 CarbonylContact C-O 3.48Å; T464-T472 VanDerWaalsContact CA-O 3.32Å; T464-T472 WeakPolarHBondContact CA-O 3.43Å; H465-T472 PolarHBondContact N-O 3.16Å; H465-T472 PolarHBondContact O-N 2.8Å
473A91.4Very high75.7Confident0 Ų088.6 Ų88.60%045%0.448CS..EExtended strand (participates in β ladder)trans-116.9146.7165.400000110.5V431 C432 I442 F444 F462 Y463 T464V431-A473 WeakPolarHBondContact CA-O 3.4Å; C432-A473 PolarHBondContact N-O 3.29Å; C432-A473 PolarHBondContact O-N 3.44Å; I442-A473 HydrophobicContact CB-CB 3.8Å; I442-A473 HydrophobicContact CD1-CB 4.21Å; I442-A473 HydrophobicContact CG2-CB 3.53Å; F444-A473 HydrophobicContact CE2-CB 3.72Å; F444-A473 HydrophobicContact CZ-CB 4.04Å; F462-A473 HydrophobicContact CE2-CB 4.1Å; F462-A473 HydrophobicContact CZ-CB 4.28Å; Y463-A473 CarbonylContact O-C 3.44Å; Y463-A473 WeakPolarHBondContact O-CA 3.42Å; T464-A473 HydrophobicContact CG2-CB 3.9Å
474M88.5Confident73.3Confident36 Ų3687.5 Ų87.518%0.17746%0.462CS..EExtended strand (participates in β ladder)trans-140.3133.1177.3-174.5-178.882.400111.1Q429 C430 V431 F462 Y463 K476Q429-M474 HydrophobicContact CG-CE 4.46Å; Q429-M474 HydrophobicContact CG-CG 3.92Å; Q429-M474 HydrophobicContact CG-SD 3.66Å; Q429-M474 PolarHBondContact NE2-SD 3.15Å; C430-M474 CarbonylContact O-C 3.52Å; C430-M474 VanDerWaalsContact O-CA 3.3Å; C430-M474 WeakPolarHBondContact O-CA 3.07Å; C430-M474 WeakPolarHBondContact O-CG 3.43Å; V431-M474 HydrophobicContact CG2-CB 4.38Å; V431-M474 HydrophobicContact CG2-CG 3.83Å; V431-M474 HydrophobicContact CG2-SD 3.98Å; F462-M474 CarbonylContact C-O 3.5Å; F462-M474 WeakPolarHBondContact CA-O 3.25Å; Y463-M474 HydrophobicContact CD2-CE 3.58Å; Y463-M474 HydrophobicContact CE2-CE 3.98Å; Y463-M474 HydrophobicContact CG-CE 4.4Å; Y463-M474 PolarHBondContact N-O 3.49Å; Y463-M474 PolarHBondContact O-N 3.14Å; M474-K476 VanDerWaalsContact CE-CE 3.44Å; M474-K476 HydrophobicContact CE-CG 4.29Å
475I87.9Confident70.7Confident0 Ų090.2 Ų90.20%047%0.473CS..EExtended strand (participates in β ladder)trans-118.4136.7173.8-175.5169000110.9Q429 C430 F444 L446 I453 F460 N461 L477Q429-I475 WeakPolarHBondContact CA-O 3.09Å; C430-I475 HydrophobicContact CB-CG2 3.83Å; C430-I475 PolarHBondContact N-O 3.25Å; C430-I475 PolarHBondContact O-N 2.82Å; F444-I475 HydrophobicContact CB-CG2 4.5Å; F444-I475 HydrophobicContact CD1-CG2 3.91Å; F444-I475 HydrophobicContact CD2-CB 3.81Å; F444-I475 HydrophobicContact CD2-CG2 3.72Å; F444-I475 HydrophobicContact CE1-CG2 3.94Å; F444-I475 HydrophobicContact CE2-CB 3.86Å; F444-I475 HydrophobicContact CE2-CG2 3.77Å; F444-I475 HydrophobicContact CG-CB 4.33Å; F444-I475 HydrophobicContact CG-CG2 3.79Å; F444-I475 HydrophobicContact CZ-CB 4.42Å; F444-I475 HydrophobicContact CZ-CG2 3.88Å; L446-I475 HydrophobicContact CD1-CD1 4.44Å; I453-I475 HydrophobicContact CB-CD1 4.29Å; I453-I475 HydrophobicContact CD1-CD1 3.4Å; I453-I475 HydrophobicContact CG1-CD1 4.41Å; I453-I475 HydrophobicContact CG2-CD1 4.09Å; F460-I475 HydrophobicContact CB-CD1 4.19Å; F460-I475 HydrophobicContact CB-CG1 4.41Å; F460-I475 HydrophobicContact CD1-CD1 4.5Å; F460-I475 HydrophobicContact CG-CD1 4.41Å; N461-I475 WeakPolarHBondContact O-CA 3.38Å; I475-L477 HydrophobicContact CD1-CD2 3.61Å; I475-L477 HydrophobicContact CG1-CD2 3.87Å; I475-L477 HydrophobicContact CG1-CG 4.45Å
476K82.3Confident68.4Low77 Ų7791.4 Ų91.434%0.33548%0.484SS..EExtended strand (participates in β ladder)trans-107.1115.3166.7-55.4-163.2-172.4-144.80111Q429 N461 M474Q429-K476 HydrophobicContact CB-CG 4.49Å; Q429-K476 HydrophobicContact CG-CG 4.22Å; N461-K476 HydrophobicContact CB-CB 4.32Å; N461-K476 PolarHBondContact O-N 2.77Å; M474-K476 VanDerWaalsContact CE-CE 3.44Å; M474-K476 HydrophobicContact CE-CG 4.29Å
477L77Confident66Low14 Ų1494.7 Ų94.77%0.07350%0.498CS..EExtended strand (participates in β ladder)trans-92.3111174.5-55.6178.8000108.8G427 V428 L446 F460 I475 V491 V493G427-L477 WeakPolarHBondContact CA-O 3.35Å; V428-L477 HydrophobicContact CB-CB 4.39Å; V428-L477 PolarHBondContact N-O 3.02Å; V428-L477 PolarHBondContact O-N 3.36Å; L446-L477 HydrophobicContact CD2-CD1 4.18Å; L446-L477 HydrophobicContact CD2-CD2 3.76Å; F460-L477 HydrophobicContact CD1-CD2 3.65Å; F460-L477 HydrophobicContact CE1-CD2 3.75Å; I475-L477 HydrophobicContact CD1-CD2 3.61Å; I475-L477 HydrophobicContact CG1-CD2 3.87Å; I475-L477 HydrophobicContact CG1-CG 4.45Å; L477-V491 HydrophobicContact CD1-CB 4.12Å; L477-V491 HydrophobicContact CD1-CG1 3.84Å; L477-V491 HydrophobicContact CD1-CG2 4.43Å; L477-V493 HydrophobicContact CD1-CG2 3.75Å
478R66.9Low64Low146 Ų14691.7 Ų91.755%0.55150%0.496SS*.  trans-89.1137.3178-75.6174.7161.4151.3-7.9111K480R478-K480 VanDerWaalsContact C-N 3.33Å; R478-K480 PolarHBondContact O-N 2.88Å
479E57.1Low62.1Low146 Ų14692.4 Ų92.468%0.68249%0.491SS*.  trans-68.490.9160.2-73.3-170.3142.100109.9G481E479-G481 PolarHBondContact O-N 3.23Å
480K40.7Very low60.3Low184 Ų18493 Ų9380%0.851%0.507SS*.  trans-79.199.8151.6-84.3-175.4174.41760106.6R478 E482R478-K480 VanDerWaalsContact C-N 3.33Å; R478-K480 PolarHBondContact O-N 2.88Å; K480-E482 PolarHBondContact O-N 3.43Å
481G39Very low59.1Low74 Ų7493.1 Ų93.176%0.76351%0.508SS*.  trans-69124-16400000114.9E479E479-G481 PolarHBondContact O-N 3.23Å
482E31.4Very low58.4Low197 Ų19796 Ų9692%0.92152%0.523SS*.  trans-132.2139.8142.5-118.1174.5-171.800107.4K480K480-E482 PolarHBondContact O-N 3.43Å
483R36.5Very low58.1Low231 Ų23193.8 Ų93.887%0.87251%0.509SS*.  trans-111104.1-164-172.2-178.9-173.3172.33.1111.3
484A33.4Very low58Low92 Ų9296.5 Ų96.576%0.7652%0.521SS*.  trans-119.7110.9173.700000110.8
485D35.5Very low58.2Low150 Ų15094.8 Ų94.880%0.80251%0.513SS*.SBendtrans56.8168.2172.2-71.9-34.8000119.8N487D485-N487 PolarHBondContact O-N 3.1Å
486N41.7Very low58.3Low148 Ų14895.5 Ų95.579%0.79152%0.518SS*.SBendtrans-9266.2-165.4-72.2-52.6000113.1
487N37.3Very low58.9Low157 Ų15791.8 Ų91.884%0.8450%0.502SS*.SBendtrans-139143.3152.2-95.4-34.6000108.8D485D485-N487 PolarHBondContact O-N 3.1Å
488G45Very low59.6Low57 Ų5794.5 Ų94.559%0.58851%0.512SS*.  trans-65.9163.917500000111.7A490G488-A490 VanDerWaalsContact C-N 3.34Å; G488-A490 PolarHBondContact O-N 2.69Å
489P47.5Very low60.9Low67 Ų6788.7 Ų88.744%0.43549%0.492SS..  trans-67.788.5-174.228.3-36000112V491P489-V491 HydrophobicContact CB-CG2 4.25Å; P489-V491 PolarHBondContact O-N 3Å
490A51.4Low62.6Low78 Ų7887.9 Ų87.965%0.64549%0.491SS*.  trans-75.268.4165.100000109.2G488 N492G488-A490 VanDerWaalsContact C-N 3.34Å; G488-A490 PolarHBondContact O-N 2.69Å; A490-N492 PolarHBondContact O-N 3.06Å
491V65.8Low65.1Low50 Ų5083.3 Ų83.330%0.30347%0.469SS..  trans-73.1113.6170.7-170.20000107.5L446 L477 P489 V493L446-V491 HydrophobicContact CD2-CG1 3.79Å; L446-V491 HydrophobicContact CG-CG1 4.16Å; L477-V491 HydrophobicContact CD1-CB 4.12Å; L477-V491 HydrophobicContact CD1-CG1 3.84Å; L477-V491 HydrophobicContact CD1-CG2 4.43Å; P489-V491 HydrophobicContact CB-CG2 4.25Å; P489-V491 PolarHBondContact O-N 3Å; V491-V493 HydrophobicContact CB-CG2 4.47Å; V491-V493 HydrophobicContact CG1-CG2 3.99Å; V491-V493 PolarHBondContact O-N 3.3Å
492N77.5Confident67.6Low65 Ų6581 Ų8135%0.34845%0.445SS..  trans-70.1122.9169.5-60.9-67.4000107.3P447 D448 A490 L507P447-N492 WeakPolarHBondContact CD-O 3.23Å; P447-N492 HydrophobicContact CG-CB 3.82Å; D448-N492 PolarHBondContact OD1-ND2 2.84Å; D448-N492 WeakPolarHBondContact OD2-CB 3.28Å; D448-N492 PolarHBondContact OD2-N 2.81Å; D448-N492 PolarHBondContact OD2-ND2 2.66Å; A490-N492 PolarHBondContact O-N 3.06Å; N492-L507 HydrophobicContact CB-CD1 3.92Å
493V86.2Confident70.6Confident1 Ų178.6 Ų78.61%0.00643%0.427CS..  trans-122.1104.5177.5-178.40000107.8C430 F444 L446 L477 V491 L508C430-V493 HydrophobicContact CB-CG1 4.24Å; F444-V493 HydrophobicContact CB-CG1 4.43Å; F444-V493 HydrophobicContact CD1-CG1 3.67Å; F444-V493 HydrophobicContact CE1-CG1 4.39Å; F444-V493 HydrophobicContact CG-CG1 4.42Å; L446-V493 HydrophobicContact CD1-CG1 4.49Å; L446-V493 HydrophobicContact CG-CG2 4.38Å; L477-V493 HydrophobicContact CD1-CG2 3.75Å; V491-V493 HydrophobicContact CB-CG2 4.47Å; V491-V493 HydrophobicContact CG1-CG2 3.99Å; V491-V493 PolarHBondContact O-N 3.3Å; V493-L508 HydrophobicContact CG1-CD1 4.22Å; V493-L508 WeakPolarHBondContact O-CB 3.49Å; V493-L508 PolarHBondContact O-N 3.11Å
494H89.7Confident73.2Confident56 Ų5672.3 Ų72.326%0.25941%0.408SS..EExtended strand (participates in β ladder)trans-78.9130.1166.8-70-102.1000108.4F444 Y445 V506F444-H494 CarbonylContact C-O 3.47Å; F444-H494 WeakPolarHBondContact CA-O 3.14Å; Y445-H494 HydrophobicContact CD1-CB 4.3Å; Y445-H494 PolarHBondContact N-O 3.47Å; Y445-H494 PolarHBondContact O-N 3.09Å; H494-V506 CarbonylContact C-O 3.54Å; H494-V506 VanDerWaalsContact CA-O 3.26Å; H494-V506 WeakPolarHBondContact CA-O 3.48Å
495C91.7Very high75.9Confident0 Ų071.4 Ų71.40%040%0.396CS..EExtended strand (participates in β ladder)trans-92.1130.2158.2-177.30000108.1F415 C432 I442 F444 S505 V506 L508F415-C495 HydrophobicContact CE1-CB 4.18Å; C432-C495 HydrophobicContact CB-CB 3.7Å; C432-C495 WeakPolarHBondContact CB-SG 3.29Å; C432-C495 WeakPolarHBondContact SG-CB 3.35Å; C432-C495 CovalentContact SG-SG 2.02Å; C432-C495 PolarHBondContact SG-SG 3.5Å; I442-C495 WeakPolarHBondContact CG2-SG 3.17Å; F444-C495 HydrophobicContact CD1-CB 4.34Å; F444-C495 HydrophobicContact CE1-CB 4.33Å; C495-S505 CarbonylContact O-C 3.37Å; C495-S505 WeakPolarHBondContact O-CA 3.23Å; C495-V506 HydrophobicContact CB-CG1 4.47Å; C495-V506 PolarHBondContact N-O 2.92Å; C495-V506 PolarHBondContact O-N 2.85Å; C495-L508 HydrophobicContact CB-CD1 4.09Å; C495-L508 HydrophobicContact CB-CD2 4.14Å; C495-L508 HydrophobicContact CB-CG 4.11Å
496S91.7Very high78.5Confident15 Ų1566.9 Ų66.911%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-114.3136.5167.7-56.10000109.1I442 E443 E504 S505I442-S496 WeakPolarHBondContact CA-O 3.36Å; E443-S496 PolarHBondContact N-O 2.87Å; E443-S496 PolarHBondContact O-N 2.84Å; S496-E504 WeakPolarHBondContact CA-O 3.4Å; S496-S505 WeakPolarHBondContact OG-CB 3.5Å
497M93.2Very high80.7Confident0 Ų063.8 Ų63.80%036%0.357CS..EExtended strand (participates in β ladder)trans-128.5144.9178.162175.4-174.800109.6P413 F415 A434 P440 T441 I442 R503 E504P413-M497 VanDerWaalsContact C-CE 3.46Å; P413-M497 HydrophobicContact CB-CE 4.23Å; P413-M497 HydrophobicContact CB-CG 4.28Å; P413-M497 HydrophobicContact CB-SD 3.81Å; P413-M497 HydrophobicContact CG-CB 4.47Å; P413-M497 HydrophobicContact CG-CE 4.27Å; P413-M497 HydrophobicContact CG-CG 3.99Å; P413-M497 HydrophobicContact CG-SD 4.11Å; P413-M497 WeakPolarHBondContact O-CE 3.4Å; F415-M497 HydrophobicContact CB-CE 4.48Å; F415-M497 HydrophobicContact CD1-CE 4.02Å; F415-M497 HydrophobicContact CD1-CG 4.36Å; F415-M497 HydrophobicContact CD1-SD 3.59Å; F415-M497 VanDerWaalsContact CD1-SD 3.59Å; F415-M497 HydrophobicContact CD2-CE 3.51Å; F415-M497 HydrophobicContact CD2-SD 4.21Å; F415-M497 HydrophobicContact CE1-CB 4.27Å; F415-M497 HydrophobicContact CE1-CE 4.06Å; F415-M497 HydrophobicContact CE1-CG 3.71Å; F415-M497 HydrophobicContact CE1-SD 3.56Å; F415-M497 VanDerWaalsContact CE1-SD 3.56Å; F415-M497 HydrophobicContact CE2-CE 3.58Å; F415-M497 HydrophobicContact CE2-CG 4.33Å; F415-M497 HydrophobicContact CE2-SD 4.2Å; F415-M497 HydrophobicContact CG-CE 3.74Å; F415-M497 HydrophobicContact CG-SD 3.91Å; F415-M497 HydrophobicContact CZ-CE 3.85Å; F415-M497 HydrophobicContact CZ-CG 3.69Å; F415-M497 HydrophobicContact CZ-SD 3.88Å; A434-M497 HydrophobicContact CB-CB 4.24Å; A434-M497 HydrophobicContact CB-CG 4.46Å; A434-M497 HydrophobicContact CB-SD 3.37Å; A434-M497 WeakPolarHBondContact CB-SD 3.42Å; P440-M497 HydrophobicContact CB-CB 4.43Å; T441-M497 CarbonylContact O-C 3.57Å; T441-M497 WeakPolarHBondContact O-CA 3.47Å; I442-M497 HydrophobicContact CG1-CB 4.22Å; M497-R503 VanDerWaalsContact O-CA 3.31Å; M497-R503 WeakPolarHBondContact O-CA 3.49Å; M497-E504 HydrophobicContact CE-CB 3.62Å; M497-E504 HydrophobicContact CE-CG 4.41Å; M497-E504 WeakPolarHBondContact CE-OE2 3.36Å; M497-E504 HydrophobicContact CG-CB 4.44Å; M497-E504 PolarHBondContact N-O 2.86Å; M497-E504 PolarHBondContact O-N 2.85Å
498Y92.7Very high83.1Confident71 Ų7156.9 Ų56.928%0.27832%0.32SS..EExtended strand (participates in β ladder)trans-156149.1178.662.5-79.4000113.6P440 T441 E443 G502P440-Y498 WeakPolarHBondContact CA-O 3.39Å; T441-Y498 HydrophobicContact CG2-CE1 3.78Å; T441-Y498 HydrophobicContact CG2-CE2 4.32Å; T441-Y498 WeakPolarHBondContact CG2-OH 3.29Å; T441-Y498 PolarHBondContact N-O 2.84Å; T441-Y498 WeakPolarHBondContact O-CD1 3.48Å; T441-Y498 PolarHBondContact O-N 2.85Å; E443-Y498 HydrophobicContact CG-CE1 4.39Å; E443-Y498 WeakPolarHBondContact OE1-CE1 3.49Å; Y498-G502 VanDerWaalsContact CA-O 3.26Å; Y498-G502 WeakPolarHBondContact CA-O 3.4Å
499N94.1Very high84.9Confident24 Ų2461.2 Ų61.213%0.12833%0.325CS..  trans-134.9-161.9162.471.56.5000108.9Y411 P413 P438 Y501 G502Y411-N499 PolarHBondContact O-ND2 2.03Å; P413-N499 WeakPolarHBondContact CD-OD1 3.32Å; P438-N499 WeakPolarHBondContact O-CB 3.47Å; P438-N499 PolarHBondContact O-ND2 3.37Å; N499-Y501 VanDerWaalsContact C-N 3.27Å; N499-Y501 PolarHBondContact O-N 2.96Å; N499-Y501 PolarHBondContact OD1-N 3.11Å; N499-G502 PolarHBondContact N-O 2.61Å; N499-G502 PolarHBondContact OD1-N 3.06Å
500I93Very high86.3Confident129 Ų12961.8 Ų61.866%0.66232%0.324SS*.SBendtrans-71.9-16.7-179.963.7177.9000114.2P438P438-I500 HydrophobicContact CG-CD1 4.22Å; P438-I500 HydrophobicContact CG-CG1 4.48Å
501Y93Very high87.4Confident88 Ų8863 Ų6335%0.34532%0.316SS..SBendtrans-99.7-20.5-176.8-66.7-67000114V338 E410 N499V338-Y501 HydrophobicContact CG1-CD1 4.08Å; V338-Y501 HydrophobicContact CG1-CE1 4.02Å; V338-Y501 HydrophobicContact CG2-CD1 4.48Å; V338-Y501 HydrophobicContact CG2-CE1 3.62Å; E410-Y501 HydrophobicContact CB-CD2 4.19Å; E410-Y501 HydrophobicContact CB-CE2 3.58Å; E410-Y501 HydrophobicContact CG-CE2 4.3Å; E410-Y501 PolarHBondContact OE2-OH 2.86Å; N499-Y501 VanDerWaalsContact C-N 3.27Å; N499-Y501 PolarHBondContact O-N 2.96Å; N499-Y501 PolarHBondContact OD1-N 3.11Å
502G91.1Very high87.1Confident25 Ų2568.5 Ų68.526%0.25834%0.338SS..  trans-173.1169.4177.300000114.8Y498 N499Y498-G502 VanDerWaalsContact CA-O 3.26Å; Y498-G502 WeakPolarHBondContact CA-O 3.4Å; N499-G502 PolarHBondContact N-O 2.61Å; N499-G502 PolarHBondContact OD1-N 3.06Å
503R93.7Very high86Confident146 Ų14671.8 Ų71.855%0.55135%0.352SS*.EExtended strand (participates in β ladder)trans-140.1131.2175169.5177.4-84.6-99.60108.6E443 M497E443-R503 IonicContact OE1-CZ 2.71Å; E443-R503 VanDerWaalsContact OE1-CZ 3.22Å; E443-R503 IonicContact OE1-NH1 2.85Å; E443-R503 PolarHBondContact OE1-NH1 3.26Å; E443-R503 IonicContact OE1-NH2 3.22Å; E443-R503 PolarHBondContact OE1-NH2 2.89Å; M497-R503 VanDerWaalsContact O-CA 3.31Å; M497-R503 WeakPolarHBondContact O-CA 3.49Å
504E91.3Very high83.9Confident99 Ų9980.4 Ų80.446%0.46339%0.389SS..EExtended strand (participates in β ladder)trans-134.3157.4175.6-156.9-174.4-174.800110F415 S496 M497F415-E504 WeakPolarHBondContact CD2-OE2 3.33Å; F415-E504 HydrophobicContact CE2-CB 4.02Å; F415-E504 HydrophobicContact CE2-CG 3.93Å; S496-E504 WeakPolarHBondContact CA-O 3.4Å; M497-E504 HydrophobicContact CE-CB 3.62Å; M497-E504 HydrophobicContact CE-CG 4.41Å; M497-E504 WeakPolarHBondContact CE-OE2 3.36Å; M497-E504 HydrophobicContact CG-CB 4.44Å; M497-E504 PolarHBondContact N-O 2.86Å; M497-E504 PolarHBondContact O-N 2.85Å
505S91Very high81.6Confident73 Ų7386 Ų8651%0.5141%0.413SS..EExtended strand (participates in β ladder)trans-145126.2177.964.50000112C495 S496C495-S505 CarbonylContact O-C 3.37Å; C495-S505 WeakPolarHBondContact O-CA 3.23Å; S496-S505 WeakPolarHBondContact OG-CB 3.5Å
506V90Very high79.2Confident56 Ų5696 Ų9634%0.33945%0.452SS..EExtended strand (participates in β ladder)trans-120.7144.1-179.673.20000110.9F415 H494 C495 L508F415-V506 HydrophobicContact CD1-CG1 4Å; F415-V506 HydrophobicContact CD2-CB 3.99Å; F415-V506 HydrophobicContact CD2-CG1 3.85Å; F415-V506 HydrophobicContact CE1-CG1 3.77Å; F415-V506 HydrophobicContact CE2-CB 3.59Å; F415-V506 HydrophobicContact CE2-CG1 3.59Å; F415-V506 HydrophobicContact CG-CG1 4.06Å; F415-V506 HydrophobicContact CZ-CB 3.97Å; F415-V506 HydrophobicContact CZ-CG1 3.55Å; H494-V506 CarbonylContact C-O 3.54Å; H494-V506 VanDerWaalsContact CA-O 3.26Å; H494-V506 WeakPolarHBondContact CA-O 3.48Å; C495-V506 HydrophobicContact CB-CG1 4.47Å; C495-V506 PolarHBondContact N-O 2.92Å; C495-V506 PolarHBondContact O-N 2.85Å; V506-L508 HydrophobicContact CG1-CD2 3.99Å
507L88.7Confident76.2Confident83 Ų83103.2 Ų103.244%0.43549%0.486SS..EExtended strand (participates in β ladder)trans-79.1120.9168.4177.663.5000108.8N492N492-L507 HydrophobicContact CB-CD1 3.92Å
508L87.9Confident73.3Confident11 Ų11111.7 Ų111.76%0.05853%0.528CS..PPolyproline II helixtrans-78.2122.5-179.4-62.6-178.8000111.1C421 C430 C432 F444 V493 C495 V506C421-L508 VanDerWaalsContact SG-CB 3.6Å; C430-L508 HydrophobicContact CB-CD1 3.92Å; C432-L508 HydrophobicContact CB-CD1 4.44Å; F444-L508 HydrophobicContact CD1-CD1 4.38Å; F444-L508 HydrophobicContact CE1-CD1 3.86Å; V493-L508 HydrophobicContact CG1-CD1 4.22Å; V493-L508 WeakPolarHBondContact O-CB 3.49Å; V493-L508 PolarHBondContact O-N 3.11Å; C495-L508 HydrophobicContact CB-CD1 4.09Å; C495-L508 HydrophobicContact CB-CD2 4.14Å; C495-L508 HydrophobicContact CB-CG 4.11Å; V506-L508 HydrophobicContact CG1-CD2 3.99Å
509E81Confident70.6Confident149 Ų149111.4 Ų111.470%0.69654%0.54SS*.PPolyproline II helixtrans-68.5140.5176.2-65.6-163.5157.400112.2C421 Q511C421-E509 PolarHBondContact N-O 2.99Å; E509-Q511 PolarHBondContact O-N 3.05Å
510L78.4Confident67.7Low79 Ų79116.5 Ų116.541%0.41457%0.572SS.*EExtended strand (participates in β ladder)trans-88.298.3175.6-175.966.7000111.1C421 V423 V428C421-L510 HydrophobicContact CB-CB 4.4Å; C421-L510 HydrophobicContact CB-CD1 3.76Å; V423-L510 HydrophobicContact CG2-CD1 3.89Å; V423-L510 HydrophobicContact CG2-CD2 4.28Å; V423-L510 HydrophobicContact CG2-CG 4.21Å; V428-L510 HydrophobicContact CG1-CD1 3.71Å; V428-L510 HydrophobicContact CG2-CD1 4.22Å
511Q73.7Confident65.2Low103 Ų103117.5 Ų117.548%0.48158%0.577SS.*EExtended strand (participates in β ladder)trans-81.3120.7171.8-63.1-165.4-4.900110.8C421 E509C421-Q511 PolarHBondContact O-N 2.87Å; E509-Q511 PolarHBondContact O-N 3.05Å
512Q60.5Low62.4Low165 Ų165119.9 Ų119.977%0.77160%0.601SS**PPolyproline II helixtrans-71.1139167.7-63.7-176.45.200109.8K514Q512-K514 PolarHBondContact O-N 3.19Å; Q512-K514 VanDerWaalsContact O-N 3.11Å
513E52.7Low59.7Low135 Ų135121.1 Ų121.163%0.63161%0.613SS**PPolyproline II helixtrans-53.8120.6166.3-78.3-169.1143.800109.7K515E513-K515 PolarHBondContact O-N 3.35Å
514K42.3Very low57.1Low182 Ų182120.4 Ų120.479%0.79163%0.625SS**  trans-6783.8162.6-77.7-179.4178.2170.30108.6Q512 Y516Q512-K514 PolarHBondContact O-N 3.19Å; Q512-K514 VanDerWaalsContact O-N 3.11Å; K514-Y516 WeakPolarHBondContact O-CD2 3.23Å; K514-Y516 PolarHBondContact O-N 2.93Å
515K42Very low54.6Low174 Ų174124 Ų12476%0.75765%0.646SS**  trans-5998.5173.7-79.1-176.9177.8171.70109.9E513 M517E513-K515 PolarHBondContact O-N 3.35Å; K515-M517 VanDerWaalsContact C-N 3.25Å; K515-M517 PolarHBondContact O-N 3.45Å
516Y40.7Very low52.1Low210 Ų210124 Ų12482%0.82466%0.658SS**  trans-64.790.4162.6-76.2-85.2000108.6K514 M518K514-Y516 WeakPolarHBondContact O-CD2 3.23Å; K514-Y516 PolarHBondContact O-N 2.93Å; Y516-M518 PolarHBondContact O-N 3.11Å
517M30Very low49.6Very low165 Ų165125 Ų12581%0.81368%0.679SS**  trans-73.393-177.2-156-156-44.900109.6K515 A519K515-M517 VanDerWaalsContact C-N 3.25Å; K515-M517 PolarHBondContact O-N 3.45Å; M517-A519 PolarHBondContact O-N 3.34Å
518M31.5Very low47.5Very low178 Ų178127.9 Ų127.988%0.87770%0.7SS**  trans-67.684.4165.1-88.9-67.7-164.100109.4Y516 V520Y516-M518 PolarHBondContact O-N 3.11Å; M518-V520 PolarHBondContact O-N 3.33Å
519A35.8Very low45.4Very low66 Ų66131.3 Ų131.355%0.54573%0.73SS.*  trans-70.897.7178.200000110.6M517 I521M517-A519 PolarHBondContact O-N 3.34Å; A519-I521 PolarHBondContact O-N 3.08Å
520V34.6Very low43.6Very low131 Ų131130.3 Ų130.379%0.79473%0.734SS**  trans-72.892.6172.9178.80000109.4M518 V522M518-V520 PolarHBondContact O-N 3.33Å; V520-V522 HydrophobicContact CG1-CG2 4.13Å
521I38.7Very low41.9Very low150 Ų150132.7 Ų132.777%0.76975%0.746SS**  trans-94.4103.5171.7-59.4178.8000109.1A519A519-I521 PolarHBondContact O-N 3.08Å
522V35.9Very low40.4Very low138 Ų138131.3 Ų131.384%0.83675%0.752SS**  trans-89.9108.8166.5179.10000107.6V520V520-V522 HydrophobicContact CG1-CG2 4.13Å
523G33.9Very low39.7Very low51 Ų51132.4 Ų132.453%0.52675%0.754SS.*  trans-148.9-9.8-167.400000118.9
524T38.2Very low39.3Very low130 Ų130132.1 Ų132.180%0.79876%0.756SS**  trans65.3161.8172.571.50000118.5
525I39.2Very low39.4Very low174 Ų174127.5 Ų127.589%0.89274%0.739SS**SBendtrans65.4108.1176.5-47.8178.7000114.7
526G38Very low39.5Very low74 Ų74122.8 Ų122.876%0.76373%0.732SS**  trans136.88.4179.400000116.1V528G526-V528 PolarHBondContact O-N 3.34Å
527G37.8Very low39.7Very low77 Ų77116.1 Ų116.179%0.79472%0.721SS**  trans-77.969.1-169.300000116.9
528V45.5Very low40.2Very low143 Ų143113.4 Ų113.487%0.86771%0.713SS**SBendtrans-140.179.1164.3-169.80000111.2G526G526-V528 PolarHBondContact O-N 3.34Å
529A42.2Very low40.8Very low83 Ų83114.7 Ų114.769%0.68671%0.708SS**SBendtrans-162-65.1166.400000113.1
530V43.3Very low40.9Very low128 Ų128121.7 Ų121.778%0.77672%0.722SS**G310 helixtrans-88.3-19.3-158.9-172.10000114.3A532V530-A532 PolarHBondContact O-N 3.01Å
531I43Very low41.1Very low130 Ų130121.8 Ų121.867%0.66772%0.722SS**G310 helixtrans-72.8-8.1-178.7-65.9177.3000112.6F533 I535I531-F533 PolarHBondContact O-N 2.78Å; I531-I535 HydrophobicContact CG2-CD1 3.53Å; I531-I535 HydrophobicContact CG2-CG1 4.25Å
532A43.2Very low41.1Very low74 Ų74117.5 Ų117.561%0.61272%0.715SS**G310 helixtrans-67.2-29.3177.600000114.4V530V530-A532 PolarHBondContact O-N 3.01Å
533F44.9Very low40.9Very low188 Ų188119 Ų11983%0.82571%0.713SS**THydrogen-bonded Turntrans-91.4-29-167.7-107.5-89.7000115.7I531I531-F533 PolarHBondContact O-N 2.78Å
534I45.4Very low40.7Very low128 Ų128124.1 Ų124.166%0.65673%0.728SS**THydrogen-bonded Turntrans-94-29.6-174.8-64.2177.9000112.3A536 A537I534-A536 VanDerWaalsContact C-N 3.28Å; I534-A536 PolarHBondContact O-N 2.99Å; I534-A537 PolarHBondContact O-N 3.08Å
535I44.2Very low40.7Very low86 Ų86125.9 Ų125.944%0.44173%0.733SS.*Hα-helixtrans-72.3-22178.7-64.3-173.6000112.2I531 R539I531-I535 HydrophobicContact CG2-CD1 3.53Å; I531-I535 HydrophobicContact CG2-CG1 4.25Å; I535-R539 PolarHBondContact O-N 3.39Å
536A43.3Very low40.2Very low75 Ų75126.7 Ų126.762%0.6273%0.73SS**Hα-helixtrans-66.2-39.2173.200000112.9I534I534-A536 VanDerWaalsContact C-N 3.28Å; I534-A536 PolarHBondContact O-N 2.99Å
537A44.9Very low39.9Very low70 Ų70131.3 Ų131.358%0.57973%0.729SS**Hα-helixtrans-72.6-36-175.100000113.4I534I534-A537 PolarHBondContact O-N 3.08Å
538V40.7Very low39.4Very low107 Ų107133.7 Ų133.765%0.64872%0.72SS**Hα-helixtrans-93.7-16.2-171.8-173.50000113
539R43.5Very low38.6Very low205 Ų205134.1 Ų134.177%0.77472%0.717SS**Hα-helixtrans-87.9-11179.3-88.4-173.3169.6167.6-1.7116.3I535I535-R539 PolarHBondContact O-N 3.39Å
540Y37.8Very low37.9Very low214 Ų214133.9 Ų133.984%0.83972%0.722SS**SBendtrans-82.7-27.6170.6-163-105.4000113G542Y540-G542 PolarHBondContact O-N 3Å; Y540-G542 VanDerWaalsContact O-N 3.11Å
541V39.5Very low37.1Very low133 Ų133135.4 Ų135.481%0.80673%0.726SS**THydrogen-bonded Turntrans-75.67.9173.9-163.20000111.9
542G37.6Very low37.2Very low60 Ų60134 Ų13462%0.61973%0.726SS**THydrogen-bonded Turntrans-103.511.8-169.300000116.6Y540Y540-G542 PolarHBondContact O-N 3Å; Y540-G542 VanDerWaalsContact O-N 3.11Å
543Q31.8Very low36.5Very low169 Ų169140.3 Ų140.379%0.7973%0.734SS**SBendtrans-128.3133.5175.1-73.6-165-22.100113.6
544N31.1Very low35.6Very low158 Ų158137.1 Ų137.185%0.84572%0.721SS**  trans73.750165.2-57-17.2000118.3
545N37Very low34.6Very low168 Ų168136.7 Ų136.790%0.89872%0.72SS**  trans-82.5112.6152.8-123.3-19.6000110.3
546K30.3Very low33.7Very low191 Ų191138.3 Ų138.383%0.8373%0.734SS**  trans-153.8118.4161.9-100.4-173.9-177.4178.50110.8
547K29.9Very low32.8Very low171 Ų171141 Ų14174%0.74374%0.742SS**  40.5136.5129-73166.9158-94.40118.4
548E29Very low31.8Very low127 Ų127144.9 Ų144.959%0.59375%0.753SS**  cis-166.616025.6-134.3155.3-128.800114.4
549N27.8Very low31Very low152 Ų152148.5 Ų148.581%0.81376%0.762SS**  trans65.5143157.5-57.3-36.5000121.3
550G27.6Very low30.4Very low77 Ų77145.6 Ų145.679%0.79476%0.762SS**  trans137.550.5148.600000120.8
551N26.7Very low29.9Very low160 Ų160141.4 Ų141.486%0.85676%0.761SS**  trans-54149.9165.6-159.733.8000111.6
552P45.9Very low29.1Very low102 Ų102139.1 Ų139.166%0.66276%0.756SS**  cis-133.9-153.714.140.8-17.5000113.2
553R26.7Very low28.6Very low206 Ų206143.6 Ų143.678%0.77777%0.765SS**  cis-158.4171.46.3-146-163.9166.2129.85.4113
554Q27.4Very low28.2Very low121 Ų121144.6 Ų144.657%0.56576%0.763SS**  trans-17.7152.6149.8-68.7179.9-92.900118.4
555D24.4Very low27.8Very low119 Ų119146.1 Ų146.164%0.63676%0.758SS**  cis-162.8151.95.8-112.9-10.3000115.6
556V24.8Very low27.2Very low119 Ų119143.1 Ų143.172%0.72175%0.75SS**  trans64.6124.5134.4175.20000123.5
557V24.3Very low26.9Very low132 Ų132138 Ų13880%0.874%0.744SS**  trans81.6144.8152.5162.10000121
558L23.8Very low26.7Very low152 Ų152135.4 Ų135.480%0.79674%0.742SS**  trans-87.4153.9-168.1-56.174.4000112.9
559E24Very low26.5Very low182 Ų182138.1 Ų138.185%0.8575%0.752SS**  -155.3168.3118.2-121.6177.5-151.600111.6
560N30.3Very low26.4Very low145 Ų145138.9 Ų138.978%0.77575%0.748SS**  trans-11149.6179.6-89.8-53.3000121.1
561P27.6Very low26.3Very low126 Ų126140.3 Ų140.382%0.81874%0.737SS**  -143.6168.4112.739.8-27.7000115.8
562A23.7Very low26.4Very low85 Ų85140.7 Ų140.770%0.70273%0.732SS**  trans-107.9162.3-177.100000114
563L27Very low25.4Very low153 Ų153144.1 Ų144.180%0.80174%0.739SS**  trans60.1115.7150-63.6164.8000121.4
564Y23.6Very low25.3Very low190 Ų190139.7 Ų139.775%0.74573%0.73SS**  103.1152.9128.4-102.3-102.1000124.6
565Y23Very low25.2Very low191 Ų191139.9 Ų139.975%0.74973%0.734SS**  trans70.393.8167.4-76.8-70.7000121.7
566S23.4Very low25.4Very low104 Ų104143.6 Ų143.673%0.72774%0.74SS**  55.2151.8111.882.50000122
567A23.5Very low25.5Very low84 Ų84146.6 Ų146.669%0.69474%0.743SS**  cis178.8-154.2-15.600000107.8
568V25.2Very low25.6Very low116 Ų116149.2 Ų149.270%0.70374%0.744SS**  trans88.1135.5154.8-176.10000116.9
569K26.2Very low25.7Very low184 Ų184148 Ų14880%0.874%0.742SS**  cis-113.3-1130.3-143.9150-150.887.50113.6
570K25Very low25.8Very low169 Ų169146.8 Ų146.874%0.73574%0.741SS**  cis-167.2147.5-3.7-153.7-149.4-178.2-139.70106.2
571D26.1Very low25.5Very low107 Ų107148 Ų14857%0.57274%0.739SS**  cis-144-173.94.3-116.2-11.4000106.2
572K28.2Very low25.3Very low168 Ų168146.3 Ų146.373%0.7373%0.726SS**  cis163.596-42.6176.2-145176.7-174.70111.6
573Q24.7Very low25.4Very low174 Ų174150.1 Ų150.181%0.81373%0.73SS**  trans-161.3144.2153.3-75-153.417.200107.8
574N24.9Very low25.2Very low113 Ų113149.6 Ų149.660%0.60473%0.727SS**  cis-147.3146.1-8.9-94.8-27.8000111.5
575L26Very low25.1Very low124 Ų124148.5 Ų148.565%0.64973%0.733SS**  trans19.9144.5137.4-73.964.1000119.9
576R28.3Very low25.1Very low197 Ų197142.7 Ų142.774%0.74373%0.732SS**  cis-172137.317.3-127173.2-167.8-179.56.8113.6
577K27.5Very low25.2Very low182 Ų182142.7 Ų142.779%0.79173%0.731SS**  trans59.6160.5145.3-68.7176.8178.2-171.70117.6
578K26.3Very low25.2Very low187 Ų187147 Ų14781%0.81373%0.734SS**  cis-159.5134.723-154.3-177.4176.6-166.80112.8
579V26.2Very low25.2Very low126 Ų126150.1 Ų150.176%0.76474%0.739SS**  trans46.4108.6142.4-179.20000121.5
580L25.2Very low25Very low158 Ų158146.5 Ų146.583%0.82773%0.729SS**  56.1121.6123.6-138.692.6000123.8
581K23.8Very low25.1Very low170 Ų170143.9 Ų143.974%0.73973%0.731SS**  trans87135.9135-127.5-160.6174.3-1640123.1
582T24.4Very low25.2Very low90 Ų90144.6 Ų144.655%0.55273%0.734SS**  trans69.2112.6148.127.50000121.1
583E24.6Very low25.1Very low166 Ų166142.9 Ų142.978%0.77673%0.732SS**  67140.7123.6-74.7176.8144.800123.8
584L22.7Very low25.2Very low141 Ų141142.4 Ų142.474%0.73873%0.73SS**  trans66.6128.3152.6-96.165.7000120.8
585L22Very low25.3Very low167 Ų167144.3 Ų144.387%0.87474%0.735SS**  trans58.5128.5147.3-59.4166000118.5
586G22.7Very low25.3Very low70 Ų70143 Ų14372%0.72273%0.733SS**  trans-155.9-49.8-179.500000118.2
587S25.2Very low25.2Very low103 Ų103139.1 Ų139.172%0.7273%0.731SS**  trans67157.3-178.883.90000117.9
588K24.6Very low25.2Very low174 Ų174133.4 Ų133.476%0.75772%0.724SS**  trans67.5138.8163.4-61.2169.7-179.2177.20115.7
589F24Very low25.5Very low182 Ų182132.5 Ų132.580%0.79872%0.723SS**  cis-143.7168.143.3-127.3-89.4000115.2
590N23.6Very low25.5Very low109 Ų109134.7 Ų134.758%0.58373%0.73SS**  trans-64.5146.9-169.5-44.4-5.1000116.9I592N590-I592 HydrophobicContact CB-CD1 3.91Å; N590-I592 HydrophobicContact CB-CG1 4.35Å
591S27.1Very low25.7Very low113 Ų113130.3 Ų130.379%0.7972%0.723SS**  -172.2124.8114.753.40000108.6
592I27.6Very low25.8Very low122 Ų122128.3 Ų128.363%0.62672%0.72SS**  cis67115.429.3-49.7-178.9000110.9N590N590-I592 HydrophobicContact CB-CD1 3.91Å; N590-I592 HydrophobicContact CB-CG1 4.35Å
593L26.9Very low25.9Very low133 Ų133133 Ų13370%0.69673%0.729SS**  cis-120.2179.64.7-53.786000109.8
594E26.3Very low26Very low163 Ų163132.7 Ų132.776%0.76273%0.728SS**  cis-153.11300.4-133.8147-163.700103.8
595E25.9Very low26.6Very low153 Ų153131.5 Ų131.572%0.71573%0.729SS**  cis69.8131.334.7-59.1-142.5119.200114.2
596T26.3Very low26.7Very low98 Ų98130.6 Ų130.660%0.60173%0.73SS**  cis-169.5161.7-13.721.70000112
597T26.9Very low26.8Very low114 Ų114130.7 Ų130.770%0.69973%0.73SS**  trans45167.713572.10000121.9
598G27.4Very low27.1Very low63 Ų63131.6 Ų131.665%0.64974%0.737SS**  cis-144.2169.92.500000114.4
599E32.3Very low27.1Very low168 Ų168130.2 Ų130.279%0.78574%0.743SS**  cis60.9104.632.2-68-169.6138.500114.5
600D26.5Very low27.3Very low171 Ų171126.3 Ų126.391%0.91474%0.744SS**  -128.2157.2103.6-79.2-50.1000105.8
601G28.6Very low27.4Very low66 Ų66124.7 Ų124.768%0.6875%0.753SS**  cis117.4134.716.400000109.7
602D26.4Very low27.4Very low129 Ų129127.7 Ų127.769%0.6976%0.759SS**  cis-164.7149-1.2-15433.6000112
603Y26Very low27.4Very low188 Ų188130.8 Ų130.874%0.73777%0.771SS**  trans46.4156.6146-77.4-155.9000122
604Q27.5Very low27.5Very low160 Ų160136.3 Ų136.375%0.74878%0.783SS**  cis-157.7165.2-0.2-123.5178.510.800110.4
605P34.1Very low27.6Very low116 Ų116137.9 Ų137.975%0.75379%0.79SS**  trans-104.2160.6-176.738.8-30.8000115
606V24.9Very low27.8Very low148 Ų148139.4 Ų139.490%0.89780%0.797SS**  trans-144.4133.2172.1179.30000112.1
607G25.2Very low27.8Very low71 Ų71143.1 Ų143.173%0.73281%0.812SS**  trans81120143.400000118.7
608S30.4Very low27.9Very low123 Ų123144.3 Ų144.386%0.8681%0.814SS**  trans-77.2140166.3490000112.3
609V25.7Very low28.1Very low145 Ų145151.3 Ų151.388%0.87982%0.822SS**  trans-135.5132.5158.8-179.40000107.8
610A27Very low27.9Very low99 Ų99148 Ų14882%0.81882%0.824SS**  trans-107.8144.8172.800000109.8
611G27.4Very low28.1Very low75 Ų75144.9 Ų144.977%0.77382%0.816SS**  trans86.499.5171.400000115
612L26.6Very low28.1Very low177 Ų177150.2 Ų150.293%0.92783%0.827SS**  trans-146.8141.3149-108.8168.8000107.8
613E27.3Very low28.3Very low186 Ų186152.3 Ų152.387%0.86983%0.833SS**  trans-88.7172.2-171.6-66.9178.7103.800113
614R28.8Very low28.5Very low250 Ų250153.3 Ų153.394%0.94384%0.842SS**  trans-27.8127.1175-65.1174.2170.1-167.3-5.2115.1
615Q27.4Very low28.6Very low195 Ų195153.1 Ų153.191%0.91184%0.844SS**  trans-141158.1142.7-117173.51.700110.6
616E30.8Very low28.6Very low185 Ų185150.5 Ų150.586%0.86484%0.839SS**  trans-77.5138.4-161.8-58.8166.6152.900112.6
617L27.5Very low29Very low177 Ų177148.4 Ų148.493%0.92784%0.837SS**  trans-139.7103.5164-97.2170.4000109.5
618N28.6Very low29.5Very low139 Ų139156.4 Ų156.474%0.74385%0.845SS**  trans-90.5138.2176.9-101-30.6000110.9
619Y31Very low29.6Very low209 Ų209156.6 Ų156.682%0.8284%0.843SS**  trans45.5113.1160.8-70.7-86.8000120.3
620A27.3Very low29.9Very low100 Ų100161.4 Ų161.483%0.82685%0.845SS**  trans-145.492.1146.900000110.1
621S30.9Very low30.3Very low104 Ų104165.9 Ų165.973%0.72785%0.849SS**  trans-83118.4172.649.30000110.6E623S621-E623 PolarHBondContact O-N 2.79Å
622L30.2Very low30.7Very low178 Ų178166.2 Ų166.293%0.93285%0.853SS**  trans-81.6100.1177.8-76.8163.5000111.1
623E30.5Very low31Very low174 Ų174162.8 Ų162.881%0.81385%0.85SS**  trans-85.4146.7167.7-77.8-159.3137.100112.9S621S621-E623 PolarHBondContact O-N 2.79Å
624F28.9Very low31.8Very low208 Ų208160.2 Ų160.291%0.91285%0.853SS**  trans-106.282.5-171.5-143.8-79.1000111.2G626F624-G626 PolarHBondContact O-N 3.3Å
625I31Very low32.1Very low157 Ų157152 Ų15281%0.80585%0.846SS**PPolyproline II helixtrans-72.4119.4-179.6-57.8179.8000110.3
626G33.6Very low32.7Very low61 Ų61155.1 Ų155.163%0.62985%0.85SS**PPolyproline II helixtrans-64.1142.7-175.100000114.7F624F624-G626 PolarHBondContact O-N 3.3Å
627A32.8Very low33Very low104 Ų104150 Ų15086%0.8685%0.846SS**PPolyproline II helixtrans-69.2135.2-177.200000113.3
628R35.4Very low33.7Very low238 Ų238149.5 Ų149.590%0.89884%0.844SS**PPolyproline II helixtrans-101.8131.1164.2-68.8-171.9-179.3-173.92110.1
629P32.1Very low34.1Very low127 Ų127150.6 Ų150.683%0.82585%0.85SS**PPolyproline II helixtrans-63.6147169.9-18.331.3000111.1
630R33.1Very low34.7Very low247 Ų247144.5 Ų144.593%0.93285%0.852SS**  trans-102.9104.3175.9-159.6177.9-166168.44.7109.1
631E35.3Very low35.1Very low192 Ų192144 Ų14490%0.89784%0.842SS**  trans-70.5145.6174.4-67.1-165.9137.300111.6
632G34.9Very low35.2Very low82 Ų82146.6 Ų146.685%0.84585%0.847SS**  trans9866.5156.400000118.4
633A33.9Very low35.3Very low106 Ų106148 Ų14888%0.87684%0.842SS**  trans-152.6132.2148.200000110.8
634S42.9Very low35.4Very low131 Ų131145 Ų14592%0.91684%0.836SS**  trans-97.4119.3-177.158.90000112.5
635G36.8Very low35.6Very low79 Ų79142.2 Ų142.281%0.81483%0.826SS**  trans-156.3144.617300000111.6
636R39.1Very low35.6Very low260 Ų260142.1 Ų142.198%0.98183%0.825SS**  trans-91140.3176.7-85.3175.6161.8158.3-7.7110.9
637G37.5Very low35.5Very low77 Ų77146.5 Ų146.579%0.79483%0.827SS**  trans145.1113.516100000112
638D41.1Very low35.4Very low166 Ų166146.3 Ų146.389%0.88883%0.825SS**  trans-73120.6165.7-64.4-67.5000109.3
639D38.4Very low35.3Very low162 Ų162148 Ų14887%0.86684%0.839SS**  -163.9141.2116.9-113.5-31.3000111.1S641D639-S641 PolarHBondContact O-N 2.65Å
640G43.9Very low35.5Very low82 Ų82149.1 Ų149.185%0.84584%0.839SS**  trans-87.799.5-16500000115
641S34.4Very low35.6Very low89 Ų89143.9 Ų143.962%0.62284%0.835SS**  trans-136.7102.5162.154.40000111.6D639 Y643D639-S641 PolarHBondContact O-N 2.65Å; S641-Y643 PolarHBondContact O-N 2.76Å
642N33.8Very low35.7Very low158 Ų158141.2 Ų141.285%0.84583%0.831SS**  trans-96.986-170.5-160.820.7000111.1T644N642-T644 PolarHBondContact O-N 3.11Å
643Y32.1Very low35.7Very low209 Ų209144.7 Ų144.782%0.8283%0.83SS**  trans-70.3111.2179.3-75.1-90.4000111.7S641S641-Y643 PolarHBondContact O-N 2.76Å
644T33.1Very low35.8Very low111 Ų111147.1 Ų147.168%0.68183%0.827SS**  trans-86.3115.6173.643.10000110.6N642 I646N642-T644 PolarHBondContact O-N 3.11Å; T644-I646 PolarHBondContact O-N 2.98Å; T644-I646 VanDerWaalsContact O-N 3.11Å
645E31.7Very low35.3Very low149 Ų149148.2 Ų148.270%0.69682%0.821SS**  trans-7696.4175.4-169-167.1-153.300109.7K647E645-K647 PolarHBondContact O-N 3.49Å; E645-K647 WeakPolarHBondContact OE1-CE 3.33Å; E645-K647 IonicContact OE1-NZ 2.89Å; E645-K647 PolarHBondContact OE1-NZ 2.97Å; E645-K647 IonicContact OE2-NZ 2.76Å; E645-K647 PolarHBondContact OE2-NZ 2.92Å
646I31.4Very low35.2Very low154 Ų154153.1 Ų153.179%0.7982%0.822SS**  trans-75.1113.2176.7-57.2177.1000109.3T644T644-I646 PolarHBondContact O-N 2.98Å; T644-I646 VanDerWaalsContact O-N 3.11Å
647K31.3Very low34.9Very low154 Ų154144.9 Ų144.967%0.6781%0.81SS**  trans-108101.7168.9-78.7175.5172.5135.70110E645E645-K647 PolarHBondContact O-N 3.49Å; E645-K647 WeakPolarHBondContact OE1-CE 3.33Å; E645-K647 IonicContact OE1-NZ 2.89Å; E645-K647 PolarHBondContact OE1-NZ 2.97Å; E645-K647 IonicContact OE2-NZ 2.76Å; E645-K647 PolarHBondContact OE2-NZ 2.92Å
648A30.5Very low34.7Very low99 Ų99150.6 Ų150.682%0.81881%0.811SS**  trans-70.9160.215800000110
649K35.1Very low34.1Very low274 Ų274149.2 Ų149.2100%1.19180%0.804SS**  trans-135.10173.9-172.4-169.4174.3-1640108.9

Retrieved 649 of 649 residues in 314.9 ms (Link to these results)

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