A0A096NLR3_PAPAN Loading...

Ribosomal L1 domain-containing protein 1

Regulates cellular senescence through inhibition of PTEN translation. Acts as a pro-apoptotic regulator in response to DNA damage.

AlphaFold DB , UniProt , Accession A0A096NLR3, Species PAPAN (Papio anubis, Olive baboon), Gene RSL1D1, Length 487 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
1M36.1Very low37.7Very low215 Ų215135 Ų135100%1.05982%0.823SS**  060.90-58.8169.7-170.900105.8
2E35.6Very low37.3Very low167 Ų167134.2 Ų134.278%0.7883%0.827SS**  67133.851.9-64.9149.7141.500111.4
3D37.1Very low36.7Very low141 Ų141130.9 Ų130.975%0.75482%0.822SS**  cis-166.9-171.1-19.8-129.1-62.7000110.1
4S42Very low36.3Very low110 Ų110129.6 Ų129.677%0.76982%0.819SS**  trans87.6117.8176.1-33.90000114
5D36.4Very low35.9Very low154 Ų154130.5 Ų130.582%0.82482%0.823SS**  cis97.7118.829.3-169.131.8000114.5
6S39Very low35.5Very low118 Ų118127.9 Ų127.983%0.82582%0.818SS**  trans-176.9134.1155-1720000109.2
7A40.1Very low35Very low86 Ų86127.8 Ų127.871%0.71182%0.815SS**  trans-115.4154.4-171.100000114
8P42.3Very low34.9Very low120 Ų120127.4 Ų127.478%0.77982%0.817SS**  trans-105.8159.7156.834.6-25.6000112.5
9P41.3Very low34.6Very low129 Ų129124.9 Ų124.984%0.83881%0.809SS**  trans-93.8166.8-153.236.1-38.5000116.6
10S31.4Very low34.5Very low122 Ų122124.4 Ų124.485%0.85381%0.808SS**  trans-85.3141.417253.60000112.9
11S33.3Very low34.4Very low123 Ų123124.5 Ų124.586%0.8681%0.807SS**  trans-133121168.263.40000110.6
12S33.3Very low34.5Very low125 Ų125120 Ų12087%0.87479%0.793SS**  trans-94.5134.2-17355.80000113.7
13A29.9Very low34.2Very low92 Ų92115.3 Ų115.376%0.7679%0.79SS**  trans-160.5148.2156.800000114.4
14S30Very low33.8Very low112 Ų112112.6 Ų112.678%0.78379%0.787SS**  trans52.798.115351.80000120.1
15T31.1Very low33.6Very low143 Ų143112.5 Ų112.588%0.87778%0.784SS**  trans-46.8134.8152-14.50000112.8
16A29Very low33.5Very low89 Ų89111.5 Ų111.574%0.73678%0.784SS**  trans-138.799.7165.900000110.5S18A16-S18 PolarHBondContact O-N 3.48Å
17T28.2Very low33.7Very low127 Ų127109.2 Ų109.278%0.77977%0.772SS**  trans-57.7118.4-177.2-55.90000111.6A19T17-A19 PolarHBondContact O-N 3.48Å
18S32.3Very low34.1Very low120 Ų120115.5 Ų115.584%0.83978%0.777SS**  trans-73.864.4176.1-47.70000112.1A16 S20A16-S18 PolarHBondContact O-N 3.48Å; S18-S20 PolarHBondContact O-N 3.4Å
19A29Very low34.8Very low81 Ų81117.2 Ų117.267%0.66977%0.772SS**  trans-66.399.3173.500000109.4T17 T21T17-A19 PolarHBondContact O-N 3.48Å; A19-T21 PolarHBondContact O-N 3.27Å
20S33.9Very low36.1Very low114 Ų114119.1 Ų119.180%0.79777%0.77SS**  trans-66.496.4-179.559.40000110.8S18S18-S20 PolarHBondContact O-N 3.4Å
21T31.6Very low38.5Very low127 Ų127114.1 Ų114.178%0.77973%0.734SS**  trans-52124.3176.8-57.80000110.4A19 G23A19-T21 PolarHBondContact O-N 3.27Å; T21-G23 PolarHBondContact O-N 2.92Å
22P37.3Very low41.1Very low119 Ų119112.1 Ų112.177%0.77371%0.713SS**  trans-66.3110.8179.626.1-33.3000109.7
23G30.8Very low43.9Very low69 Ų69112.8 Ų112.871%0.71170%0.701SS**  trans-55.7137.6-175.900000112.9T21T21-G23 PolarHBondContact O-N 2.92Å
24A27.4Very low46.8Very low84 Ų84114 Ų11469%0.69469%0.691SS**  trans-54.1142.4178.900000111.2T26A24-T26 PolarHBondContact O-N 3.44Å
25P38.9Very low49.8Very low108 Ų108112.5 Ų112.570%0.70167%0.671SS**  trans-7291.2-165.128.3-36.1000112.7A27P25-A27 PolarHBondContact O-N 3.44Å
26T34.7Very low52.8Low133 Ų133105.8 Ų105.882%0.81663%0.63SS**  trans-49.5130.1169.7-39.70000109.5A24 R28A24-T26 PolarHBondContact O-N 3.44Å; T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.07Å
27A42.1Very low55.9Low70 Ų70107.4 Ų107.458%0.57962%0.617SS**  trans-53.4115.9-16100000113P25 K29P25-A27 PolarHBondContact O-N 3.44Å; A27-K29 HydrophobicContact CB-CG 4.27Å; A27-K29 PolarHBondContact O-N 3.07Å
28R48.1Very low59Low219 Ų219107 Ų10783%0.82661%0.605SS**  trans-6960-176.3-63.9-177.3178.3176.8-1.2113.3T26T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.07Å
29K58.4Low62Low155 Ų155101.5 Ų101.567%0.67457%0.566SS**  trans-84.9-10.9-179.9-67.5-176.9178.2-179.20113.3A27 W245A27-K29 HydrophobicContact CB-CG 4.27Å; A27-K29 PolarHBondContact O-N 3.07Å; K29-W245 PolarHBondContact O-NE1 3.29Å
30Q67Low65Low170 Ų17097.7 Ų97.779%0.79454%0.535SS*.SBendtrans-111.9144.6-175.7-166161-1000110.8D32Q30-D32 PolarHBondContact O-N 3.02Å
31L81.8Confident67.9Low17 Ų1794.7 Ų94.79%0.08951%0.509CS..  trans-70.1125.9176.6178.365.4000109.9K33 V36 I230 T234 I263 F264L31-K33 PolarHBondContact O-N 2.98Å; L31-V36 HydrophobicContact CD1-CG2 3.9Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-V36 HydrophobicContact CG-CG2 3.83Å; L31-I230 HydrophobicContact CD2-CG2 3.74Å; L31-T234 HydrophobicContact CB-CG2 4.2Å; L31-T234 HydrophobicContact CD2-CG2 4.08Å; L31-I263 HydrophobicContact CD1-CB 4.39Å; L31-I263 HydrophobicContact CD1-CD1 4.1Å; L31-I263 HydrophobicContact CD1-CG1 4.28Å; L31-I263 HydrophobicContact CD2-CD1 4.27Å; L31-F264 HydrophobicContact CD1-CB 3.89Å
32D88.8Confident70.8Confident80 Ų8091 Ų9143%0.42849%0.492SS..  trans-69.5125173.6172.229.5000110.8Q30 E34 Q35 V36Q30-D32 PolarHBondContact O-N 3.02Å; D32-E34 PolarHBondContact OD1-N 3.28Å; D32-Q35 HydrophobicContact CB-CB 4.27Å; D32-Q35 WeakPolarHBondContact OD2-CB 3.29Å; D32-Q35 PolarHBondContact OD2-N 3.49Å; D32-V36 VanDerWaalsContact O-CG2 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.04Å
33K91.1Very high73.4Confident140 Ų14085.6 Ų85.661%0.60946%0.456SS*.Hα-helixtrans-70.8-32.7177.3-66.4-177179.4-1780112.1L31 V36 R37L31-K33 PolarHBondContact O-N 2.98Å; K33-V36 PolarHBondContact O-N 2.96Å; K33-R37 PolarHBondContact O-N 2.88Å
34E91.8Very high76.2Confident118 Ų11883.2 Ų83.255%0.55143%0.427SS*.Hα-helixtrans-69.6-48-177.7-71.1-169.1-153.400111.7D32 V36 R37 K38D32-E34 PolarHBondContact OD1-N 3.28Å; E34-V36 PolarHBondContact O-N 2.92Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.49Å; E34-R37 VanDerWaalsContact O-N 3.11Å; E34-K38 HydrophobicContact CB-CD 4.49Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CD 3.37Å; E34-K38 VanDerWaalsContact O-CG 3.29Å; E34-K38 WeakPolarHBondContact O-CG 3.26Å; E34-K38 PolarHBondContact O-N 2.83Å; E34-K38 IonicContact OE2-NZ 2.71Å; E34-K38 PolarHBondContact OE2-NZ 3.41Å
35Q92.3Very high79.1Confident80 Ų8083.5 Ų83.537%0.37442%0.421SS..Hα-helixtrans-59.3-35.3174.5-177.962.415.400111.8D32 A39 P262D32-Q35 HydrophobicContact CB-CB 4.27Å; D32-Q35 WeakPolarHBondContact OD2-CB 3.29Å; D32-Q35 PolarHBondContact OD2-N 3.49Å; Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.25Å; Q35-P262 PolarHBondContact NE2-O 3.26Å; Q35-P262 VanDerWaalsContact NE2-O 3.1Å
36V93.6Very high81.5Confident1 Ų182.1 Ų82.11%0.00640%0.404CS..Hα-helixtrans-64.9-48172.2176.60000111.1L31 D32 K33 E34 A39 V40 I227 I230 I263L31-V36 HydrophobicContact CD1-CG2 3.9Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-V36 HydrophobicContact CG-CG2 3.83Å; D32-V36 VanDerWaalsContact O-CG2 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.42Å; D32-V36 PolarHBondContact O-N 3.04Å; K33-V36 PolarHBondContact O-N 2.96Å; E34-V36 PolarHBondContact O-N 2.92Å; V36-A39 PolarHBondContact O-N 2.85Å; V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.28Å; V36-I227 HydrophobicContact CG1-CG1 4.04Å; V36-I227 HydrophobicContact CG1-CG2 4.45Å; V36-I230 HydrophobicContact CG1-CB 4.29Å; V36-I230 HydrophobicContact CG1-CD1 3.53Å; V36-I230 HydrophobicContact CG1-CG1 4.49Å; V36-I230 HydrophobicContact CG1-CG2 3.98Å; V36-I230 HydrophobicContact CG2-CG2 4.25Å; V36-I263 HydrophobicContact CG2-CB 3.94Å; V36-I263 HydrophobicContact CG2-CD1 3.89Å; V36-I263 HydrophobicContact CG2-CG1 4.49Å; V36-I263 HydrophobicContact CG2-CG2 4.14Å
37R94.7Very high83.9Confident124 Ų12475.9 Ų75.947%0.46837%0.366SS..Hα-helixtrans-57.4-54.7177.5-175173-155.1-173.514.1111.2K33 E34 A39 V40 D41 I223 E224 I227K33-R37 PolarHBondContact O-N 2.88Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.49Å; E34-R37 VanDerWaalsContact O-N 3.11Å; R37-A39 PolarHBondContact O-N 3.44Å; R37-V40 PolarHBondContact O-N 3.25Å; R37-D41 VanDerWaalsContact CG-OD2 3.29Å; R37-D41 WeakPolarHBondContact CG-OD2 3.28Å; R37-D41 PolarHBondContact O-N 3.37Å; R37-I223 HydrophobicContact CG-CG2 4.35Å; R37-E224 IonicContact CZ-OE1 2.57Å; R37-E224 IonicContact NE-OE1 3.73Å; R37-E224 IonicContact NH2-OE1 2.77Å; R37-E224 PolarHBondContact NH2-OE1 3.37Å; R37-I227 HydrophobicContact CB-CD1 3.76Å; R37-I227 HydrophobicContact CG-CD1 3.94Å
38K94.3Very high85.9Confident119 Ų11978.2 Ų78.252%0.51736%0.363SS..Hα-helixtrans-52.4-40.1177-70.1159.1179160.60112E34 A42E34-K38 HydrophobicContact CB-CD 4.49Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CD 3.37Å; E34-K38 VanDerWaalsContact O-CG 3.29Å; E34-K38 WeakPolarHBondContact O-CG 3.26Å; E34-K38 PolarHBondContact O-N 2.83Å; E34-K38 IonicContact OE2-NZ 2.71Å; E34-K38 PolarHBondContact OE2-NZ 3.41Å; K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 3.11Å
39A93.8Very high87.5Confident4 Ų471.1 Ų71.13%0.03335%0.348CS..Hα-helixtrans-72.7-39.8176.100000113.9Q35 V36 R37 L43 L261 I263Q35-A39 VanDerWaalsContact O-CB 3.3Å; Q35-A39 WeakPolarHBondContact O-CB 3.49Å; Q35-A39 PolarHBondContact O-N 3.25Å; V36-A39 PolarHBondContact O-N 2.85Å; R37-A39 PolarHBondContact O-N 3.44Å; A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.4Å; A39-L43 VanDerWaalsContact O-N 3.12Å; A39-L261 HydrophobicContact CB-CB 4.11Å; A39-L261 HydrophobicContact CB-CD1 4.22Å; A39-I263 HydrophobicContact CB-CG2 3.66Å
40V93.2Very high88.4Confident1 Ų167.2 Ų67.21%0.00633%0.329CS..Hα-helixtrans-67.8-42.8177.11730000110.8V36 R37 L43 L44 I223 I226 I230V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.28Å; R37-V40 PolarHBondContact O-N 3.25Å; V40-L43 PolarHBondContact O-N 3.13Å; V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.09Å; V40-I223 HydrophobicContact CG1-CB 4.5Å; V40-I223 HydrophobicContact CG1-CG1 4.37Å; V40-I223 HydrophobicContact CG1-CG2 4.03Å; V40-I226 HydrophobicContact CG1-CB 4.4Å; V40-I226 HydrophobicContact CG1-CD1 4.17Å; V40-I226 HydrophobicContact CG1-CG2 4.09Å; V40-I226 HydrophobicContact CG2-CG2 3.9Å; V40-I230 HydrophobicContact CG2-CD1 3.98Å
41D93.6Very high88.7Confident50 Ų5063.2 Ų63.227%0.26731%0.309SS..Hα-helixtrans-62.9-43.8178-68.6-30.7000112.1R37 L44 T45 I223R37-D41 VanDerWaalsContact CG-OD2 3.29Å; R37-D41 WeakPolarHBondContact CG-OD2 3.28Å; R37-D41 PolarHBondContact O-N 3.37Å; D41-L44 PolarHBondContact O-N 3.23Å; D41-T45 VanDerWaalsContact O-CB 3.28Å; D41-T45 WeakPolarHBondContact O-CB 3.5Å; D41-T45 PolarHBondContact O-N 2.87Å; D41-T45 PolarHBondContact O-OG1 2.99Å; D41-I223 VanDerWaalsContact OD1-CD1 3.24Å; D41-I223 WeakPolarHBondContact OD1-CD1 3.29Å; D41-I223 WeakPolarHBondContact OD1-CG2 3.41Å
42A93.4Very high87.9Confident49 Ų4969.3 Ų69.341%0.40534%0.341SS..Hα-helixtrans-62.3-43.1175.600000112.1K38 H46 L261K38-A42 WeakPolarHBondContact O-CB 3.47Å; K38-A42 PolarHBondContact O-N 3.11Å; A42-H46 WeakPolarHBondContact O-CB 3.47Å; A42-H46 PolarHBondContact O-N 3.24Å; A42-L261 HydrophobicContact CB-CD1 3.89Å
43L91Very high86.7Confident6 Ų671.2 Ų71.23%0.03135%0.351CS..Hα-helixtrans-65.5-44.7176.2-75.5169.7000112.2A39 V40 T45 H46 C47 V253 S258 L261A39-L43 WeakPolarHBondContact O-CB 3.47Å; A39-L43 WeakPolarHBondContact O-CG 3.3Å; A39-L43 PolarHBondContact O-N 3.4Å; A39-L43 VanDerWaalsContact O-N 3.12Å; V40-L43 PolarHBondContact O-N 3.13Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.18Å; L43-H46 PolarHBondContact O-N 2.91Å; L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.15Å; L43-V253 HydrophobicContact CD1-CB 3.88Å; L43-V253 HydrophobicContact CD1-CG1 3.57Å; L43-S258 WeakPolarHBondContact CD2-OG 3.23Å; L43-L261 HydrophobicContact CD1-CD1 4.43Å; L43-L261 HydrophobicContact CD2-CD1 4.28Å; L43-L261 HydrophobicContact CD2-CG 4.24Å; L43-L261 HydrophobicContact CG-CD1 3.84Å; L43-L261 HydrophobicContact CG-CG 4.2Å
44L89.3Confident85.2Confident20 Ų2073.6 Ų73.611%0.10536%0.358CS..Hα-helixtrans-64.4-40.3179.2-177.259.7000111.3V40 D41 C47 K48 I219 I223V40-L44 WeakPolarHBondContact O-CB 3.39Å; V40-L44 PolarHBondContact O-N 3.09Å; D41-L44 PolarHBondContact O-N 3.23Å; L44-C47 PolarHBondContact O-N 3.31Å; L44-K48 HydrophobicContact CG-CD 4.3Å; L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 3.31Å; L44-I219 HydrophobicContact CD1-CB 4.49Å; L44-I219 HydrophobicContact CD1-CG1 4.11Å; L44-I219 HydrophobicContact CD1-CG2 4.2Å; L44-I223 HydrophobicContact CD2-CD1 4.06Å; L44-I223 HydrophobicContact CD2-CG1 3.9Å
45T90.1Very high83.4Confident90 Ų9070.8 Ų70.855%0.55236%0.361SS*.Hα-helixtrans-63.8-46.4175.5-57.90000111.6D41 L43 C47 K48 S49D41-T45 VanDerWaalsContact O-CB 3.28Å; D41-T45 WeakPolarHBondContact O-CB 3.5Å; D41-T45 PolarHBondContact O-N 2.87Å; D41-T45 PolarHBondContact O-OG1 2.99Å; L43-T45 VanDerWaalsContact C-N 3.34Å; L43-T45 PolarHBondContact O-N 3.18Å; T45-C47 PolarHBondContact O-N 2.92Å; T45-K48 PolarHBondContact O-N 2.54Å; T45-S49 WeakPolarHBondContact O-CB 3.05Å; T45-S49 PolarHBondContact O-N 3.37Å
46H88.1Confident81.7Confident78 Ų7874 Ų7436%0.36138%0.38SS..Hα-helixtrans-61.5-43174.8164.9-91.3000112.4A42 L43 S49 R50A42-H46 WeakPolarHBondContact O-CB 3.47Å; A42-H46 PolarHBondContact O-N 3.24Å; L43-H46 PolarHBondContact O-N 2.91Å; H46-S49 PolarHBondContact O-N 3.08Å; H46-R50 VanDerWaalsContact CE1-CZ 3.48Å; H46-R50 PolarHBondContact CE1-NH2 2.8Å; H46-R50 PolarHBondContact NE2-NH2 2.96Å; H46-R50 WeakPolarHBondContact O-CB 3.31Å; H46-R50 PolarHBondContact O-N 3.4Å
47C85.1Confident79.7Confident2 Ų282 Ų821%0.01442%0.421CS..Hα-helixtrans-67.6-37.1176.9-76.30000112.7L43 L44 T45 R50 K51 E62 I219L43-C47 WeakPolarHBondContact O-CB 3.29Å; L43-C47 PolarHBondContact O-N 3.15Å; L44-C47 PolarHBondContact O-N 3.31Å; T45-C47 PolarHBondContact O-N 2.92Å; C47-R50 PolarHBondContact O-N 2.92Å; C47-K51 WeakPolarHBondContact O-CG 3.19Å; C47-K51 PolarHBondContact O-N 3.01Å; C47-K51 VanDerWaalsContact O-N 3.09Å; C47-E62 PolarHBondContact SG-OE2 2.74Å; C47-I219 HydrophobicContact CB-CG1 4.03Å
48K83.8Confident77.7Confident119 Ų11982.6 Ų82.652%0.51743%0.433SS..Hα-helixtrans-60.9-51.5171.4-76170.2177.8176.40111.1L44 T45 R50 K51 N52L44-K48 HydrophobicContact CG-CD 4.3Å; L44-K48 WeakPolarHBondContact O-CB 3.41Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 3.31Å; T45-K48 PolarHBondContact O-N 2.54Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.4Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-N52 PolarHBondContact O-N 3.01Å; K48-N52 PolarHBondContact O-OD1 2.93Å
49S82.9Confident75.7Confident71 Ų7183.8 Ų83.850%0.49745%0.445SS..Hα-helixtrans-55.9-44.1177177.80000112.3T45 H46 K51 N52 N53T45-S49 WeakPolarHBondContact O-CB 3.05Å; T45-S49 PolarHBondContact O-N 3.37Å; H46-S49 PolarHBondContact O-N 3.08Å; S49-K51 PolarHBondContact O-N 3.43Å; S49-N52 PolarHBondContact O-N 3.1Å; S49-N53 PolarHBondContact O-ND2 3.45Å
50R77.7Confident74.1Confident73 Ų7391 Ų9128%0.27548%0.478SS..Hα-helixtrans-63.9-40.5177.3-176.9179.2-72.1165.7-12113.5H46 C47 K48 N52 N53 Y54 K257H46-R50 VanDerWaalsContact CE1-CZ 3.48Å; H46-R50 PolarHBondContact CE1-NH2 2.8Å; H46-R50 PolarHBondContact NE2-NH2 2.96Å; H46-R50 WeakPolarHBondContact O-CB 3.31Å; H46-R50 PolarHBondContact O-N 3.4Å; C47-R50 PolarHBondContact O-N 2.92Å; K48-R50 VanDerWaalsContact C-N 3.32Å; K48-R50 PolarHBondContact O-N 3.4Å; R50-N52 PolarHBondContact O-N 3.45Å; R50-N53 PolarHBondContact O-N 3.3Å; R50-Y54 HydrophobicContact CG-CD2 4.16Å; R50-Y54 PolarHBondContact O-N 3.45Å; R50-K257 PolarHBondContact NH1-O 2.64Å; R50-K257 PolarHBondContact NH2-O 2.91Å
51K72.4Confident73.1Confident86 Ų8692.8 Ų92.837%0.37449%0.491SS..Hα-helixtrans-59.6-30.9-179.9-80.8-174.4170.7-159.10112.8C47 K48 S49 N53C47-K51 WeakPolarHBondContact O-CG 3.19Å; C47-K51 PolarHBondContact O-N 3.01Å; C47-K51 VanDerWaalsContact O-N 3.09Å; K48-K51 PolarHBondContact O-N 2.9Å; S49-K51 PolarHBondContact O-N 3.43Å; K51-N53 VanDerWaalsContact C-N 3.31Å; K51-N53 PolarHBondContact O-N 3.03Å
52N65.9Low72.6Confident145 Ų14591.7 Ų91.778%0.77548%0.484SS*.Hα-helixtrans-72.8-23.8177.1-61.80.1000113K48 S49 R50K48-N52 PolarHBondContact O-N 3.01Å; K48-N52 PolarHBondContact O-OD1 2.93Å; S49-N52 PolarHBondContact O-N 3.1Å; R50-N52 PolarHBondContact O-N 3.45Å
53N63.7Low72.4Confident120 Ų12091.4 Ų91.464%0.64248%0.476SS*.Hα-helixtrans-89.7-24.9-178.1-74.5-86.6000113.5S49 R50 K51S49-N53 PolarHBondContact O-ND2 3.45Å; R50-N53 PolarHBondContact O-N 3.3Å; K51-N53 VanDerWaalsContact C-N 3.31Å; K51-N53 PolarHBondContact O-N 3.03Å
54Y59.1Low72.4Confident189 Ų18991.3 Ų91.374%0.74148%0.475SS*.THydrogen-bonded Turntrans-122.791.9178-66.9-87.7000109R50 L56R50-Y54 HydrophobicContact CG-CD2 4.16Å; R50-Y54 PolarHBondContact O-N 3.45Å; Y54-L56 PolarHBondContact O-N 3.17Å; Y54-L56 VanDerWaalsContact O-N 3.08Å
55G54.1Low72.6Confident60 Ų6092 Ų9262%0.61948%0.478SS*.THydrogen-bonded Turntrans-58.3107.9-165.400000115.3L57G55-L57 PolarHBondContact O-N 3.13Å
56L56.7Low72.9Confident147 Ų14787.7 Ų87.777%0.7745%0.451SS*.  trans49.812.1142.7-86.3165.1000121Y54 L58Y54-L56 PolarHBondContact O-N 3.17Å; Y54-L56 VanDerWaalsContact O-N 3.08Å; L56-L58 PolarHBondContact O-N 3.25Å
57L51.1Low73.2Confident168 Ų16885.5 Ų85.588%0.8844%0.441SS*.SBendtrans-72.397.5170.8-66-175.1000110.8G55G55-L57 PolarHBondContact O-N 3.13Å
58L51.7Low73.5Confident137 Ų13785.5 Ų85.572%0.71744%0.441SS*.  trans79.5129.3178.7-50.5179.3000115.9L56 E60L56-L58 PolarHBondContact O-N 3.25Å; L58-E60 HydrophobicContact CB-CG 4.41Å; L58-E60 PolarHBondContact O-N 3.19Å
59N52.5Low73.9Confident144 Ų14480.9 Ų80.977%0.7742%0.423SS*.  trans-77.127.9175.5-84.2-33.8000113.3S61N59-S61 PolarHBondContact O-N 2.76Å
60E61.3Low74.2Confident156 Ų15677.9 Ų77.973%0.72940%0.402SS*.  trans-63.2108.1168.7-69.7-171.8172.200109L58 E62L58-E60 HydrophobicContact CB-CG 4.41Å; L58-E60 PolarHBondContact O-N 3.19Å; E60-E62 PolarHBondContact O-N 3.15Å; E60-E62 VanDerWaalsContact O-N 3.13Å
61S71Confident74.6Confident38 Ų3877.9 Ų77.927%0.26640%0.401SS..  trans-68.3110.9173.1520000109.1N59 N63 H218N59-S61 PolarHBondContact O-N 2.76Å; S61-N63 PolarHBondContact O-N 2.98Å; S61-H218 WeakPolarHBondContact CB-ND1 3.5Å; S61-H218 WeakPolarHBondContact OG-CB 3.43Å; S61-H218 PolarHBondContact OG-ND1 3.5Å
62E83.4Confident75.2Confident27 Ų2776.8 Ų76.813%0.12640%0.397CS..  trans-45.8136.4-179.2-69-160.8155.400111.3C47 E60 H218 I219 T255 K257C47-E62 PolarHBondContact SG-OE2 2.74Å; E60-E62 PolarHBondContact O-N 3.15Å; E60-E62 VanDerWaalsContact O-N 3.13Å; E62-H218 WeakPolarHBondContact O-CA 3.45Å; E62-I219 HydrophobicContact CB-CD1 4.3Å; E62-I219 HydrophobicContact CB-CG1 4.47Å; E62-I219 WeakPolarHBondContact O-CD1 3.37Å; E62-I219 PolarHBondContact O-N 3.37Å; E62-T255 PolarHBondContact OE2-OG1 2.76Å; E62-K257 WeakPolarHBondContact OE1-CD 3.22Å; E62-K257 IonicContact OE1-NZ 2.62Å; E62-K257 PolarHBondContact OE1-NZ 2.86Å
63N89.1Confident76.1Confident43 Ų4373.1 Ų73.123%0.2338%0.377CS..EExtended strand (participates in β ladder)trans-79.7136.5-175.9-69.3-65.6000110.6S61 F65 R215 T255S61-N63 PolarHBondContact O-N 2.98Å; N63-F65 HydrophobicContact CB-CD2 4.3Å; N63-F65 HydrophobicContact CB-CE2 3.42Å; N63-F65 VanDerWaalsContact CB-CE2 3.42Å; N63-F65 HydrophobicContact CB-CZ 3.65Å; N63-F65 WeakPolarHBondContact O-CD2 3.37Å; N63-F65 WeakPolarHBondContact O-CE2 3.41Å; N63-R215 HydrophobicContact CB-CG 4.43Å; N63-R215 VanDerWaalsContact OD1-CZ 3.26Å; N63-R215 PolarHBondContact OD1-NE 3.28Å; N63-R215 PolarHBondContact OD1-NH2 2.85Å; N63-T255 VanDerWaalsContact O-CA 3.28Å; N63-T255 WeakPolarHBondContact O-CA 3.35Å; N63-T255 WeakPolarHBondContact O-CB 3.39Å
64L92.1Very high77Confident4 Ų468 Ų682%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-102.9131.6177.8-174.1151.9000109.2R215 I216 G217 I219 I226 V253L64-R215 CarbonylContact O-C 3.48Å; L64-I216 HydrophobicContact CD2-CB 4.07Å; L64-I216 HydrophobicContact CD2-CD1 3.48Å; L64-I216 VanDerWaalsContact CD2-CD1 3.48Å; L64-I216 HydrophobicContact CD2-CG1 3.74Å; L64-I216 PolarHBondContact O-N 2.97Å; L64-G217 PolarHBondContact N-O 3Å; L64-I219 HydrophobicContact CB-CD1 4.29Å; L64-I219 HydrophobicContact CD1-CD1 4.49Å; L64-I226 HydrophobicContact CD1-CD1 4.4Å; L64-I226 HydrophobicContact CD1-CG2 4.19Å; L64-I226 HydrophobicContact CD2-CG2 4.03Å; L64-V253 HydrophobicContact CD1-CG1 4.19Å; L64-V253 HydrophobicContact CD2-CG1 3.6Å; L64-V253 HydrophobicContact CG-CG1 3.89Å
65F93.9Very high78.1Confident35 Ų3564.3 Ų64.315%0.15435%0.351CS..EExtended strand (participates in β ladder)trans-126.2138.8-171.9-62.4-92.9000113N63 I214 R215 V253 K254 D256N63-F65 HydrophobicContact CB-CD2 4.3Å; N63-F65 HydrophobicContact CB-CE2 3.42Å; N63-F65 VanDerWaalsContact CB-CE2 3.42Å; N63-F65 HydrophobicContact CB-CZ 3.65Å; N63-F65 WeakPolarHBondContact O-CD2 3.37Å; N63-F65 WeakPolarHBondContact O-CE2 3.41Å; F65-I214 CarbonylContact C-O 3.59Å; F65-I214 WeakPolarHBondContact CA-O 3.44Å; F65-R215 HydrophobicContact CD1-CB 4.14Å; F65-R215 HydrophobicContact CE1-CB 3.93Å; F65-R215 HydrophobicContact CE1-CG 4.29Å; F65-V253 WeakPolarHBondContact O-CA 3.27Å; F65-K254 HydrophobicContact CB-CG 4.29Å; F65-K254 PolarHBondContact N-O 3.13Å; F65-K254 PolarHBondContact O-N 3.02Å; F65-D256 VanDerWaalsContact CE2-OD1 3.31Å; F65-D256 WeakPolarHBondContact CE2-OD1 3.48Å; F65-D256 WeakPolarHBondContact CE2-OD2 3.45Å
66L94.6Very high79.5Confident0 Ų069.2 Ų69.20%036%0.356CS..EExtended strand (participates in β ladder)trans-85.5124.3162.6-161.664.6000108.2V68 A213 I214 I216 V233 L251 V253 I263L66-V68 HydrophobicContact CD2-CG2 3.98Å; L66-V68 HydrophobicContact CG-CG2 4.16Å; L66-A213 CarbonylContact O-C 3.53Å; L66-A213 VanDerWaalsContact O-CA 3.28Å; L66-A213 WeakPolarHBondContact O-CA 3.48Å; L66-I214 HydrophobicContact CB-CB 4.43Å; L66-I214 HydrophobicContact CD2-CD1 4.49Å; L66-I214 PolarHBondContact N-O 3.38Å; L66-I214 PolarHBondContact O-N 2.68Å; L66-I216 HydrophobicContact CB-CD1 3.53Å; L66-I216 HydrophobicContact CB-CG1 3.84Å; L66-I216 HydrophobicContact CD1-CD1 4.11Å; L66-I216 HydrophobicContact CG-CD1 4.36Å; L66-V233 HydrophobicContact CD2-CG1 3.57Å; L66-L251 HydrophobicContact CD1-CB 4.37Å; L66-L251 HydrophobicContact CD2-CD2 4.33Å; L66-V253 HydrophobicContact CD1-CG2 4.15Å; L66-I263 HydrophobicContact CD1-CD1 3.83Å
67M94.4Very high80.9Confident31 Ų3167.9 Ų67.915%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-100.6104.1169.5-167.4172.475.300108.7C211 S212 F252 K254 A260M67-C211 WeakPolarHBondContact CG-SG 3.16Å; M67-C211 VanDerWaalsContact SD-SG 3.63Å; M67-S212 CarbonylContact C-O 3.54Å; M67-S212 WeakPolarHBondContact CA-O 3.35Å; M67-F252 HydrophobicContact CB-CB 4.29Å; M67-F252 HydrophobicContact CE-CB 4.17Å; M67-F252 HydrophobicContact CE-CD2 3.52Å; M67-F252 HydrophobicContact CE-CE2 4.02Å; M67-F252 HydrophobicContact CE-CG 3.93Å; M67-F252 PolarHBondContact N-O 3.27Å; M67-F252 PolarHBondContact O-N 3.42Å; M67-K254 HydrophobicContact SD-CD 4.29Å; M67-K254 PolarHBondContact SD-NZ 2.77Å; M67-A260 HydrophobicContact CE-CB 4.24Å
68V92.6Very high82.5Confident2 Ų262.3 Ų62.31%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-88.8123.6177.2-175.50000108.5L66 L70 C211 S212 I214 L237 L251L66-V68 HydrophobicContact CD2-CG2 3.98Å; L66-V68 HydrophobicContact CG-CG2 4.16Å; V68-L70 HydrophobicContact CG1-CD2 3.56Å; V68-L70 HydrophobicContact CG1-CG 4.28Å; V68-C211 CarbonylContact O-C 3.57Å; V68-C211 WeakPolarHBondContact O-CA 3.38Å; V68-S212 PolarHBondContact N-O 3.15Å; V68-S212 PolarHBondContact O-N 3.2Å; V68-I214 HydrophobicContact CG2-CD1 3.87Å; V68-I214 HydrophobicContact CG2-CG1 4.46Å; V68-L237 HydrophobicContact CG1-CD1 4.41Å; V68-L237 HydrophobicContact CG1-CD2 3.94Å; V68-L237 HydrophobicContact CG2-CD2 4.18Å; V68-L251 HydrophobicContact CB-CD2 4.09Å; V68-L251 HydrophobicContact CG1-CD2 3.93Å; V68-L251 HydrophobicContact CG2-CD2 3.82Å
69V91.9Very high84.2Confident23 Ų2358.1 Ų58.114%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-109.7126.4170.2-174.50000108.8S210 C211 K249 L250 F252V69-S210 WeakPolarHBondContact CA-O 3.49Å; V69-C211 HydrophobicContact CG2-CB 4.48Å; V69-K249 HydrophobicContact CG1-CB 4.46Å; V69-K249 WeakPolarHBondContact O-CA 3.5Å; V69-K249 WeakPolarHBondContact O-CB 3.28Å; V69-K249 PolarHBondContact O-N 3.1Å; V69-L250 HydrophobicContact CB-CB 4.13Å; V69-L250 HydrophobicContact CG2-CB 4.36Å; V69-L250 PolarHBondContact N-O 3.38Å; V69-L250 PolarHBondContact O-N 3.1Å; V69-F252 HydrophobicContact CG2-CD2 4.33Å; V69-F252 HydrophobicContact CG2-CE2 3.98Å
70L89.7Confident85.9Confident8 Ų851.9 Ų51.94%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-101.3145-178.2-56.6-176.8000112.6V68 I205 S210 L241 S247 V248V68-L70 HydrophobicContact CG1-CD2 3.56Å; V68-L70 HydrophobicContact CG1-CG 4.28Å; L70-I205 HydrophobicContact CD1-CD1 4.15Å; L70-I205 HydrophobicContact CD1-CG2 3.85Å; L70-S210 PolarHBondContact N-O 3.29Å; L70-S210 WeakPolarHBondContact O-CB 3.49Å; L70-L241 HydrophobicContact CD1-CD2 3.96Å; L70-L241 HydrophobicContact CD2-CD2 3.47Å; L70-L241 VanDerWaalsContact CD2-CD2 3.47Å; L70-L241 HydrophobicContact CG-CD2 4.38Å; L70-S247 CarbonylContact C-O 3.52Å; L70-S247 VanDerWaalsContact CA-O 3.23Å; L70-S247 WeakPolarHBondContact CA-O 3.43Å; L70-S247 WeakPolarHBondContact CD2-O 3.43Å; L70-V248 HydrophobicContact CD2-CG2 4.24Å
71W86.3Confident87.2Confident72 Ų7248.7 Ų48.727%0.27324%0.24SC..SBendtrans-67.4-35.8172.1-89.4124.3000113S247 K249 S266 V268 W271W71-S247 PolarHBondContact N-O 2.98Å; W71-K249 HydrophobicContact CD2-CB 3.84Å; W71-K249 HydrophobicContact CD2-CD 3.83Å; W71-K249 HydrophobicContact CD2-CG 3.9Å; W71-K249 HydrophobicContact CE3-CD 3.74Å; W71-K249 HydrophobicContact CE3-CG 4.34Å; W71-K249 HydrophobicContact CG-CB 3.82Å; W71-K249 HydrophobicContact CG-CG 4.41Å; W71-K249 HydrophobicContact CH2-CD 3.7Å; W71-K249 HydrophobicContact CH2-CG 4.17Å; W71-K249 HydrophobicContact CZ2-CB 4.38Å; W71-K249 HydrophobicContact CZ2-CD 3.72Å; W71-K249 HydrophobicContact CZ2-CG 3.63Å; W71-K249 HydrophobicContact CZ3-CD 3.72Å; W71-K249 HydrophobicContact CZ3-CG 4.49Å; W71-S266 PolarHBondContact NE1-OG 2.85Å; W71-V268 HydrophobicContact CH2-CG2 3.41Å; W71-V268 VanDerWaalsContact CH2-CG2 3.41Å; W71-V268 HydrophobicContact CZ2-CG2 3.21Å; W71-V268 HydrophobicContact CZ3-CG2 4.48Å; W71-W271 HydrophobicContact CB-CE3 4.22Å; W71-W271 HydrophobicContact CB-CH2 3.79Å; W71-W271 HydrophobicContact CB-CZ3 3.57Å; W71-W271 AromaticContact CD2-CE3 3.92Å; W71-W271 HydrophobicContact CD2-CE3 3.92Å; W71-W271 AromaticContact CD2-CZ3 3.83Å; W71-W271 HydrophobicContact CD2-CZ3 3.83Å; W71-W271 AromaticContact CE3-CE3 3.88Å; W71-W271 HydrophobicContact CE3-CE3 3.88Å; W71-W271 AromaticContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CG-CE3 4.08Å; W71-W271 AromaticContact CG-CZ3 3.85Å; W71-W271 HydrophobicContact CG-CZ3 3.85Å
72K84Confident88.2Confident63 Ų6347.3 Ų47.327%0.27423%0.229SC..SBendtrans-130.7122.2-176.6-172.1-178.8-176.7172.60110.3E243 W271K72-E243 WeakPolarHBondContact CD-OE1 3.35Å; K72-E243 WeakPolarHBondContact CD-OE2 3.42Å; K72-E243 IonicContact NZ-OE1 2.62Å; K72-E243 PolarHBondContact NZ-OE1 2.95Å; K72-E243 IonicContact NZ-OE2 2.65Å; K72-W271 HydrophobicContact CB-CH2 4.26Å
73I85.5Confident88.5Confident69 Ų6950.1 Ų50.135%0.35425%0.248SC..  trans-72.2129.6175.2-54.6175.4000108.4S206 K207I73-S206 WeakPolarHBondContact CG2-O 3.44Å; I73-K207 WeakPolarHBondContact CG2-O 3.48Å
74P82.6Confident88.6Confident13 Ų1349.3 Ų49.38%0.08424%0.244CC..  trans-69.1141.4179.728.7-35.2000111.7K76 L78 I205P74-K76 PolarHBondContact O-N 3.37Å; P74-L78 HydrophobicContact CB-CD1 3.75Å; P74-L78 HydrophobicContact CB-CG 4.1Å; P74-L78 HydrophobicContact CG-CD1 4.06Å; P74-L78 HydrophobicContact CG-CG 4.21Å; P74-I205 HydrophobicContact CG-CB 4.26Å; P74-I205 HydrophobicContact CG-CG2 3.62Å
75S81.8Confident88.5Confident110 Ų11052.8 Ų52.877%0.76927%0.267SS*.SBendtrans-65.1-7.8-178.9-49.10000114.9
76K84.1Confident88.3Confident163 Ų16353.1 Ų53.171%0.70927%0.269SS*.SBendtrans-135.9149.9175.7-65.6-177.2-179.4178.80107.5P74 L78P74-K76 PolarHBondContact O-N 3.37Å; K76-L78 PolarHBondContact O-N 3.35Å
77E84.9Confident87.9Confident119 Ų11955.8 Ų55.856%0.55629%0.287SS*.  trans-62.9127.3169.3-172.1-178.1151.900109.4I205E77-I205 WeakPolarHBondContact CA-O 3.47Å; E77-I205 WeakPolarHBondContact CG-O 3.21Å
78L84.8Confident87.6Confident52 Ų5254.7 Ų54.727%0.27228%0.282SS..EExtended strand (participates in β ladder)trans-112.7120.6-178.7-62.4-179.9000109.6P74 K76 I205P74-L78 HydrophobicContact CB-CD1 3.75Å; P74-L78 HydrophobicContact CB-CG 4.1Å; P74-L78 HydrophobicContact CG-CD1 4.06Å; P74-L78 HydrophobicContact CG-CG 4.21Å; K76-L78 PolarHBondContact O-N 3.35Å; L78-I205 HydrophobicContact CB-CB 4.25Å; L78-I205 HydrophobicContact CB-CD1 4.21Å; L78-I205 HydrophobicContact CB-CG1 4.43Å; L78-I205 HydrophobicContact CD1-CD1 4.42Å; L78-I205 PolarHBondContact N-O 2.63Å; L78-I205 PolarHBondContact O-N 2.91Å
79R87.8Confident87.2Confident48 Ų4856.6 Ų56.618%0.18129%0.289CS..EExtended strand (participates in β ladder)trans-101.4109165.9175.9168.3-69.1-169.4-6.8108.7P180 V202 L203 N204R79-P180 PolarHBondContact NH1-O 2.95Å; R79-V202 HydrophobicContact CG-CG1 3.5Å; R79-V202 VanDerWaalsContact CG-CG1 3.5Å; R79-L203 WeakPolarHBondContact CA-O 3.42Å; R79-N204 VanDerWaalsContact CZ-OD1 3.24Å; R79-N204 PolarHBondContact NE-OD1 2.82Å; R79-N204 PolarHBondContact NH2-OD1 3.43Å
80V87.6Confident86.7Confident13 Ų1358.8 Ų58.88%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-101.6126.5176.1-177.70000108.1L82 V202 L203 K240V80-L82 HydrophobicContact CG1-CD2 3.63Å; V80-L82 HydrophobicContact CG1-CG 4Å; V80-V202 WeakPolarHBondContact O-CA 3.4Å; V80-L203 HydrophobicContact CB-CB 4.35Å; V80-L203 PolarHBondContact N-O 2.99Å; V80-L203 PolarHBondContact O-N 3.35Å; V80-K240 HydrophobicContact CG1-CB 3.55Å; V80-K240 HydrophobicContact CG1-CG 3.83Å; V80-K240 HydrophobicContact CG2-CB 4.2Å
81R89.2Confident86.1Confident90 Ų9065.9 Ų65.934%0.3434%0.343SS..EExtended strand (participates in β ladder)trans-85.4140.2161.9-54.9-159.5-144.9125-4.3108.5S182 E193 C197 T201 V202R81-S182 PolarHBondContact NE-O 3.48Å; R81-S182 PolarHBondContact NH2-O 3.09Å; R81-E193 IonicContact CZ-OE1 2.87Å; R81-E193 IonicContact CZ-OE2 3.68Å; R81-E193 VanDerWaalsContact NH1-CD 3.34Å; R81-E193 IonicContact NH1-OE1 3.17Å; R81-E193 PolarHBondContact NH1-OE1 2.81Å; R81-E193 VanDerWaalsContact NH1-OE1 3.15Å; R81-E193 IonicContact NH1-OE2 2.84Å; R81-E193 PolarHBondContact NH1-OE2 3.1Å; R81-E193 IonicContact NH2-OE1 2.7Å; R81-E193 PolarHBondContact NH2-OE1 3.13Å; R81-E193 IonicContact NH2-OE2 3.98Å; R81-C197 VanDerWaalsContact CD-SG 3.52Å; R81-C197 VanDerWaalsContact CZ-SG 3.57Å; R81-T201 WeakPolarHBondContact CA-O 3.5Å; R81-V202 HydrophobicContact CG-CG2 4.37Å
82L91.1Very high85.8Confident8 Ų867.6 Ų67.64%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-129.6117.8175.8-59.7172.7000107.9V80 G200 T201 I214 V233V80-L82 HydrophobicContact CG1-CD2 3.63Å; V80-L82 HydrophobicContact CG1-CG 4Å; L82-G200 CarbonylContact O-C 3.44Å; L82-G200 WeakPolarHBondContact O-CA 3.5Å; L82-T201 PolarHBondContact N-O 3.19Å; L82-T201 PolarHBondContact O-N 2.95Å; L82-T201 PolarHBondContact O-OG1 3.36Å; L82-I214 HydrophobicContact CD1-CD1 4.32Å; L82-V233 HydrophobicContact CD1-CB 4.44Å; L82-V233 HydrophobicContact CD1-CG1 3.93Å; L82-V233 HydrophobicContact CD1-CG2 4.42Å
83T89.7Confident85.9Confident86 Ų8665.7 Ų65.753%0.52836%0.358SS..  trans-69.3150.3171.843.10000110.2D196T83-D196 HydrophobicContact CG2-CB 3.88Å
84L91.5Very high86.1Confident26 Ų2666 Ų6614%0.13636%0.36CS..  trans-124.7150.5178.2-63.6-174.7000110.4I88 T201 N229 A232 V233L84-I88 HydrophobicContact CD1-CD1 3.51Å; L84-I88 HydrophobicContact CD1-CG1 3.69Å; L84-T201 HydrophobicContact CD1-CG2 3.49Å; L84-T201 VanDerWaalsContact CD1-CG2 3.49Å; L84-T201 HydrophobicContact CG-CG2 4.14Å; L84-N229 HydrophobicContact CD2-CB 4.32Å; L84-A232 HydrophobicContact CD2-CB 4.49Å; L84-V233 HydrophobicContact CD2-CG2 3.53Å
85P90.1Very high86.7Confident78 Ų7865.4 Ų65.451%0.50636%0.357SS..SBendtrans-67.8-40.5168.126.1-31.6000111.9E228 N229 A232P85-E228 HydrophobicContact CG-CB 4.23Å; P85-N229 VanDerWaalsContact CD-OD1 3.25Å; P85-N229 WeakPolarHBondContact CD-OD1 3.43Å; P85-N229 WeakPolarHBondContact CG-OD1 3.34Å; P85-A232 HydrophobicContact CG-CB 4.33Å
86H90.4Very high87.3Confident42 Ų4260.2 Ų60.219%0.19432%0.32CS..SBendtrans-112.4128.3-177.5-56.6-75.2000111.5M221 H225 E228 N229H86-M221 HydrophobicContact CB-CE 3.78Å; H86-H225 HydrophobicContact CB-CB 4.21Å; H86-H225 AromaticContact CD2-CG 3.83Å; H86-H225 AromaticContact CE1-CD2 3.27Å; H86-H225 PolarHBondContact CE1-CD2 2.85Å; H86-H225 AromaticContact CE1-CE1 3.88Å; H86-H225 AromaticContact CE1-CG 3.57Å; H86-H225 AromaticContact CE1-ND1 3.93Å; H86-H225 AromaticContact CE1-NE2 3.5Å; H86-H225 PolarHBondContact CE1-NE2 2.92Å; H86-H225 AromaticContact CG-CG 3.77Å; H86-H225 AromaticContact ND1-CD2 3.81Å; H86-H225 AromaticContact ND1-CE1 3.93Å; H86-H225 AromaticContact ND1-CG 3.63Å; H86-H225 AromaticContact ND1-ND1 3.71Å; H86-H225 AromaticContact ND1-NE2 3.99Å; H86-H225 AromaticContact NE2-CD2 3.41Å; H86-H225 PolarHBondContact NE2-CD2 3.02Å; H86-H225 AromaticContact NE2-CG 3.71Å; H86-E228 IonicContact CD2-OE2 3.78Å; H86-E228 IonicContact CE1-OE2 3.82Å; H86-E228 IonicContact NE2-OE2 3.97Å; H86-E228 PolarHBondContact NE2-OE2 3.41Å; H86-N229 PolarHBondContact N-OD1 3Å; H86-N229 PolarHBondContact O-ND2 3.17Å; H86-N229 PolarHBondContact O-OD1 2.96Å
87S85.9Confident87.8Confident55 Ų5552.4 Ų52.439%0.38529%0.286SS..  trans-59.8140.1175-176.70000111.2R89 M221S87-R89 PolarHBondContact OG-N 3.1Å; S87-R89 VanDerWaalsContact OG-N 3.1Å; S87-R89 PolarHBondContact OG-O 2.94Å; S87-M221 VanDerWaalsContact O-CE 3.24Å; S87-M221 WeakPolarHBondContact O-CE 3.36Å
88I87.6Confident88.3Confident8 Ų846.8 Ų46.84%0.04126%0.26CS..SBendtrans-89.2-23.4169.9-56.8174.1000111.4L84 T201 R215 I216 H218L84-I88 HydrophobicContact CD1-CD1 3.51Å; L84-I88 HydrophobicContact CD1-CG1 3.69Å; I88-T201 HydrophobicContact CD1-CG2 3.28Å; I88-R215 HydrophobicContact CD1-CG 4.46Å; I88-R215 VanDerWaalsContact CD1-O 3.25Å; I88-R215 WeakPolarHBondContact CD1-O 3.42Å; I88-R215 HydrophobicContact CG2-CG 3.9Å; I88-I216 WeakPolarHBondContact CD1-O 3.49Å; I88-I216 WeakPolarHBondContact CG1-O 3.43Å; I88-H218 PolarHBondContact O-CD2 3.38Å
89R85.4Confident88.7Confident42 Ų4244.3 Ų44.316%0.15825%0.247CC..SBendtrans-88.1137.3-176.5-59-166.3159.185.78.4109.7S87 E93 V198S87-R89 PolarHBondContact OG-N 3.1Å; S87-R89 VanDerWaalsContact OG-N 3.1Å; S87-R89 PolarHBondContact OG-O 2.94Å; R89-E93 HydrophobicContact CB-CG 4.34Å; R89-E93 WeakPolarHBondContact CD-OE2 3.26Å; R89-E93 VanDerWaalsContact CG-OE2 3.3Å; R89-E93 WeakPolarHBondContact CG-OE2 3.18Å; R89-E93 IonicContact CZ-OE2 3.15Å; R89-E93 IonicContact NE-OE2 2.87Å; R89-E93 PolarHBondContact NE-OE2 3.2Å; R89-V198 WeakPolarHBondContact CD-O 3.45Å; R89-V198 PolarHBondContact NH1-O 3.1Å
90S80.2Confident88.8Confident70 Ų7045 Ų4549%0.4925%0.251SS..  trans-70.9152.4158.847.50000109.9S92 E93S90-S92 PolarHBondContact O-N 3.23Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 VanDerWaalsContact O-N 3.1Å
91D77.5Confident88.9Confident156 Ų15645.6 Ų45.683%0.83425%0.254SS*.THydrogen-bonded Turntrans-67.1-0.3177.9-53.8-69.2000113.8
92S80.9Confident88.6Confident108 Ų10843.6 Ų43.676%0.75525%0.249SC*.THydrogen-bonded Turntrans-104.31.8175.5-44.90000114.3S90 D94S90-S92 PolarHBondContact O-N 3.23Å; S92-D94 PolarHBondContact O-N 2.99Å
93E84.7Confident87.6Confident24 Ų2447.7 Ų47.711%0.11228%0.276CS..SBendtrans-65.8123.6171.2-82.9-166.6-162.400109.9R89 S90 I95 D153 R215R89-E93 HydrophobicContact CB-CG 4.34Å; R89-E93 WeakPolarHBondContact CD-OE2 3.26Å; R89-E93 VanDerWaalsContact CG-OE2 3.3Å; R89-E93 WeakPolarHBondContact CG-OE2 3.18Å; R89-E93 IonicContact CZ-OE2 3.15Å; R89-E93 IonicContact NE-OE2 2.87Å; R89-E93 PolarHBondContact NE-OE2 3.2Å; S90-E93 PolarHBondContact O-N 3.21Å; S90-E93 VanDerWaalsContact O-N 3.1Å; E93-I95 VanDerWaalsContact O-CG1 3.28Å; E93-I95 WeakPolarHBondContact O-CG1 3.44Å; E93-I95 PolarHBondContact O-N 3.09Å; E93-D153 HydrophobicContact CG-CB 4.47Å; E93-R215 IonicContact OE1-CZ 3.8Å; E93-R215 IonicContact OE1-NH1 3.63Å; E93-R215 PolarHBondContact OE1-NH1 2.86Å; E93-R215 IonicContact OE1-NH2 2.76Å; E93-R215 PolarHBondContact OE1-NH2 2.87Å; E93-R215 IonicContact OE2-NH1 2.68Å
94D91.1Very high86.4Confident74 Ų7452.1 Ų52.140%0.39630%0.296SS..  trans-71.7119.7-179.6-108.5-46.9000111.8S92 S127 F152 D153 F154S92-D94 PolarHBondContact O-N 2.99Å; D94-S127 WeakPolarHBondContact OD1-CB 3.24Å; D94-S127 PolarHBondContact OD1-OG 3.41Å; D94-F152 HydrophobicContact CB-CD1 3.93Å; D94-F152 HydrophobicContact CB-CE1 4.48Å; D94-D153 PolarHBondContact O-N 3.43Å; D94-F154 PolarHBondContact O-N 2.84Å; D94-F154 VanDerWaalsContact O-N 3.17Å
95I93.7Very high85.7Confident2 Ų253 Ų531%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-111.9122.8-174.2-45.5-167.4000111.7E93 T125 I126 S127 Q128 F154 L156 V198E93-I95 VanDerWaalsContact O-CG1 3.28Å; E93-I95 WeakPolarHBondContact O-CG1 3.44Å; E93-I95 PolarHBondContact O-N 3.09Å; I95-T125 WeakPolarHBondContact CB-O 3.47Å; I95-T125 HydrophobicContact CD1-CG2 4.09Å; I95-T125 VanDerWaalsContact CD1-O 3.31Å; I95-T125 WeakPolarHBondContact CD1-O 3.23Å; I95-T125 WeakPolarHBondContact CG1-O 3.31Å; I95-I126 HydrophobicContact CG2-CG1 4.44Å; I95-S127 PolarHBondContact N-OG 3.42Å; I95-S127 PolarHBondContact O-N 2.93Å; I95-S127 VanDerWaalsContact O-N 3.08Å; I95-Q128 PolarHBondContact O-N 3.19Å; I95-F154 WeakPolarHBondContact CA-O 3.21Å; I95-F154 HydrophobicContact CD1-CD1 4.21Å; I95-F154 HydrophobicContact CG1-CB 4.32Å; I95-F154 HydrophobicContact CG2-CB 4.39Å; I95-F154 HydrophobicContact CG2-CD1 4.1Å; I95-L156 HydrophobicContact CG2-CD1 4.05Å; I95-L156 HydrophobicContact CG2-CG 4.04Å; I95-V198 HydrophobicContact CD1-CG1 3.9Å; I95-V198 HydrophobicContact CD1-CG2 3.93Å
96C94.3Very high85.5Confident0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-102.8127.7172.51670000111.5Q128 F152 F154 F155 L156C96-Q128 CarbonylContact C-O 3.45Å; C96-Q128 WeakPolarHBondContact CA-O 3.37Å; C96-F152 HydrophobicContact CB-CB 4.07Å; C96-F152 HydrophobicContact CB-CD1 3.71Å; C96-F152 HydrophobicContact CB-CD2 3.8Å; C96-F152 HydrophobicContact CB-CE1 4.15Å; C96-F152 HydrophobicContact CB-CE2 4.21Å; C96-F152 HydrophobicContact CB-CG 3.55Å; C96-F152 HydrophobicContact CB-CZ 4.4Å; C96-F154 PolarHBondContact N-O 2.91Å; C96-F155 HydrophobicContact CB-CD1 3.66Å; C96-F155 HydrophobicContact CB-CE1 3.79Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.38Å; C96-L156 PolarHBondContact O-N 2.95Å
97L94.9Very high85.2Confident0 Ų051.5 Ų51.50%030%0.298CS..EExtended strand (participates in β ladder)trans-104.3116173.9175.264.6000111.7T99 L118 I126 Q128 I129 I130 L156 L185L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.87Å; L97-L118 HydrophobicContact CD2-CD1 4.28Å; L97-I126 HydrophobicContact CB-CD1 4.44Å; L97-I126 HydrophobicContact CB-CG2 3.84Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å; L97-Q128 PolarHBondContact N-O 2.92Å; L97-I129 WeakPolarHBondContact O-CA 3.36Å; L97-I130 PolarHBondContact O-N 3.5Å; L97-L156 HydrophobicContact CB-CB 4.44Å; L97-L156 HydrophobicContact CD1-CB 3.56Å; L97-L185 HydrophobicContact CD1-CD2 4.38Å; L97-L185 HydrophobicContact CD2-CD2 4.28Å
98F95Very high85.2Confident1 Ų155.2 Ų55.20%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-81.8123.6168.5-59.3-60.5000111.4I130 L135 L148 F155 L156 T157 D158 I161 L165 P180F98-I130 WeakPolarHBondContact CA-O 3.4Å; F98-I130 HydrophobicContact CD1-CB 3.96Å; F98-I130 HydrophobicContact CD1-CG2 4.21Å; F98-I130 HydrophobicContact CE1-CB 4.15Å; F98-I130 HydrophobicContact CE1-CD1 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.25Å; F98-L135 HydrophobicContact CD1-CD1 4.28Å; F98-L135 HydrophobicContact CD1-CD2 3.99Å; F98-L135 HydrophobicContact CE1-CD1 3.72Å; F98-L135 HydrophobicContact CE1-CD2 4.17Å; F98-L135 HydrophobicContact CZ-CD1 4.34Å; F98-L148 HydrophobicContact CE1-CD2 4.2Å; F98-L148 HydrophobicContact CZ-CD2 4.08Å; F98-F155 HydrophobicContact CE2-CB 4.09Å; F98-F155 AromaticContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CD1 3.48Å; F98-F155 VanDerWaalsContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CE1 4.28Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.6Å; F98-F155 HydrophobicContact CZ-CD1 3.6Å; F98-F155 AromaticContact CZ-CE1 3.96Å; F98-F155 HydrophobicContact CZ-CE1 3.96Å; F98-L156 WeakPolarHBondContact CD2-O 3.25Å; F98-L156 PolarHBondContact N-O 3.24Å; F98-T157 CarbonylContact O-C 3.58Å; F98-T157 WeakPolarHBondContact O-CA 3.5Å; F98-D158 PolarHBondContact O-N 2.92Å; F98-I161 HydrophobicContact CB-CD1 3.76Å; F98-L165 HydrophobicContact CB-CD2 4.49Å; F98-L165 HydrophobicContact CD2-CD2 4.36Å; F98-L165 HydrophobicContact CG-CD2 4.42Å; F98-P180 HydrophobicContact CD2-CB 4.14Å; F98-P180 HydrophobicContact CD2-CG 4Å; F98-P180 HydrophobicContact CE2-CB 4.29Å; F98-P180 HydrophobicContact CE2-CG 3.7Å
99T93.5Very high85.2Confident0 Ų061.1 Ų61.10%033%0.334CS..EExtended strand (participates in β ladder)trans-112.1158.2-177.457.90000112.6L97 Y114 I129 I130 L132 I161 L185L97-T99 HydrophobicContact CD2-CG2 3.92Å; L97-T99 HydrophobicContact CG-CG2 3.87Å; T99-Y114 HydrophobicContact CG2-CD1 4.14Å; T99-Y114 HydrophobicContact CG2-CD2 3.63Å; T99-Y114 HydrophobicContact CG2-CE1 4.39Å; T99-Y114 HydrophobicContact CG2-CE2 3.92Å; T99-Y114 HydrophobicContact CG2-CG 3.76Å; T99-I129 HydrophobicContact CG2-CG2 3.48Å; T99-I129 VanDerWaalsContact CG2-CG2 3.48Å; T99-I130 PolarHBondContact N-O 3.27Å; T99-I130 VanDerWaalsContact N-O 3.09Å; T99-L132 PolarHBondContact O-N 3.34Å; T99-I161 WeakPolarHBondContact O-CD1 3.27Å; T99-L185 HydrophobicContact CG2-CD1 4.05Å
100K91.6Very high85.4Confident62 Ų6259.2 Ų59.227%0.2733%0.327SS..PPolyproline II helixtrans-78.9133.1167.7-173.1-132.3162-153.80108.9E102 Y114 R160 I161K100-E102 IonicContact NZ-OE1 3.81Å; K100-E102 IonicContact NZ-OE2 3.37Å; K100-E102 PolarHBondContact NZ-OE2 3.05Å; K100-E102 PolarHBondContact O-N 3.39Å; K100-Y114 WeakPolarHBondContact O-CE2 3.39Å; K100-Y114 PolarHBondContact O-OH 3.09Å; K100-Y114 VanDerWaalsContact O-OH 3.13Å; K100-R160 VanDerWaalsContact CD-CZ 3.47Å; K100-I161 HydrophobicContact CB-CG2 3.63Å; K100-I161 HydrophobicContact CG-CG2 3.96Å
101D87.9Confident85.8Confident25 Ų2557.9 Ų57.913%0.13431%0.314CS..PPolyproline II helixtrans-56.1131.6166.7-38.2-50.5000109.5L132 Q133D101-L132 WeakPolarHBondContact OD1-CA 3.25Å; D101-L132 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 2.85Å; D101-L132 WeakPolarHBondContact OD2-CB 3.38Å; D101-Q133 PolarHBondContact OD1-N 2.69Å
102E83.1Confident86.4Confident48 Ų4855.4 Ų55.422%0.22430%0.297CS..PPolyproline II helixtrans-93.9143.8168.1-62.4-54.5163.100110.2K100 S105 Y114 R160K100-E102 IonicContact NZ-OE1 3.81Å; K100-E102 IonicContact NZ-OE2 3.37Å; K100-E102 PolarHBondContact NZ-OE2 3.05Å; K100-E102 PolarHBondContact O-N 3.39Å; E102-S105 PolarHBondContact O-N 3.39Å; E102-Y114 PolarHBondContact OE1-OH 2.93Å; E102-Y114 VanDerWaalsContact OE1-OH 3.13Å; E102-R160 IonicContact OE1-CZ 2.7Å; E102-R160 VanDerWaalsContact OE1-CZ 3.26Å; E102-R160 IonicContact OE1-NH1 2.76Å; E102-R160 PolarHBondContact OE1-NH1 3.2Å; E102-R160 IonicContact OE1-NH2 2.86Å; E102-R160 PolarHBondContact OE1-NH2 3.42Å; E102-R160 IonicContact OE2-NH1 3.86Å
103P70.4Confident86.9Confident95 Ų9555.8 Ų55.862%0.61729%0.285SS*.THydrogen-bonded Turntrans-58.6142.9-170.824.1-33.8000111.2S105P103-S105 PolarHBondContact O-N 3.07Å; P103-S105 VanDerWaalsContact O-N 3.15Å
104N64.3Low87.2Confident178 Ų17855 Ų5595%0.95228%0.281SS*.THydrogen-bonded Turntrans64.29.3178-47.3-21000115.7
105S77.2Confident87.2Confident44 Ų4457 Ų5731%0.30828%0.283SS..  trans-97.1144.5173.8-66.80000113E102 P103 T110E102-S105 PolarHBondContact O-N 3.39Å; P103-S105 PolarHBondContact O-N 3.07Å; P103-S105 VanDerWaalsContact O-N 3.15Å; S105-T110 WeakPolarHBondContact CB-OG1 3.27Å
106T86.8Confident87.1Confident58 Ų5863.3 Ų63.336%0.35631%0.31SS..  trans-70.6159.2165.861.80000110.1E108 K109 T110T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 PolarHBondContact O-N 3.32Å; T106-K109 PolarHBondContact O-N 3.23Å; T106-K109 WeakPolarHBondContact OG1-CB 3.47Å; T106-K109 WeakPolarHBondContact OG1-CD 3.34Å; T106-K109 VanDerWaalsContact OG1-CG 3.23Å; T106-K109 WeakPolarHBondContact OG1-CG 3.44Å; T106-K109 PolarHBondContact OG1-N 3.24Å; T106-T110 WeakPolarHBondContact O-CB 3.34Å; T106-T110 PolarHBondContact O-N 3.09Å; T106-T110 PolarHBondContact O-OG1 2.89Å
107P83Confident86.9Confident32 Ų3265.3 Ų65.321%0.20832%0.321CS..Hα-helixtrans-53.3-48.3174.619.7-33.3000111.9K109 T110 E111 S131 T134P107-K109 PolarHBondContact O-N 3.28Å; P107-T110 WeakPolarHBondContact O-CA 3.44Å; P107-T110 VanDerWaalsContact O-CB 3.28Å; P107-T110 WeakPolarHBondContact O-CB 3.44Å; P107-T110 PolarHBondContact O-N 2.83Å; P107-T110 VanDerWaalsContact O-N 3.11Å; P107-E111 WeakPolarHBondContact O-CG 3.4Å; P107-E111 PolarHBondContact O-N 2.93Å; P107-S131 WeakPolarHBondContact CB-OG 3.27Å; P107-T134 WeakPolarHBondContact CB-OG1 3.28Å
108E86.8Confident86.7Confident132 Ų13265.7 Ų65.762%0.61732%0.323SS*.Hα-helixtrans-57.3-48176.8-63.1163.3-169.400113.1T106 T110 E111 Q112T106-E108 VanDerWaalsContact C-N 3.32Å; T106-E108 PolarHBondContact O-N 3.32Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 2.8Å; E108-E111 PolarHBondContact O-N 3.28Å; E108-Q112 WeakPolarHBondContact O-CB 3.27Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 2.98Å
109K87.6Confident86.6Confident132 Ų13270.6 Ų70.657%0.57435%0.349SS*.Hα-helixtrans-62.8-35.9177.4-73.9174.4-176-179.20111.3T106 P107 F113T106-K109 PolarHBondContact O-N 3.23Å; T106-K109 WeakPolarHBondContact OG1-CB 3.47Å; T106-K109 WeakPolarHBondContact OG1-CD 3.34Å; T106-K109 VanDerWaalsContact OG1-CG 3.23Å; T106-K109 WeakPolarHBondContact OG1-CG 3.44Å; T106-K109 PolarHBondContact OG1-N 3.24Å; P107-K109 PolarHBondContact O-N 3.28Å; K109-F113 VanDerWaalsContact O-CB 3.29Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 PolarHBondContact O-N 3.14Å
110T88.5Confident86.5Confident2 Ų279.1 Ų79.11%0.01239%0.386CS..Hα-helixtrans-65.3-47.8175-53.90000110.8S105 T106 P107 E108 F113 Y114S105-T110 WeakPolarHBondContact CB-OG1 3.27Å; T106-T110 WeakPolarHBondContact O-CB 3.34Å; T106-T110 PolarHBondContact O-N 3.09Å; T106-T110 PolarHBondContact O-OG1 2.89Å; P107-T110 WeakPolarHBondContact O-CA 3.44Å; P107-T110 VanDerWaalsContact O-CB 3.28Å; P107-T110 WeakPolarHBondContact O-CB 3.44Å; P107-T110 PolarHBondContact O-N 2.83Å; P107-T110 VanDerWaalsContact O-N 3.11Å; E108-T110 VanDerWaalsContact C-N 3.26Å; E108-T110 PolarHBondContact O-N 2.8Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.95Å; T110-Y114 HydrophobicContact CG2-CD2 3.84Å; T110-Y114 HydrophobicContact CG2-CE2 3.61Å; T110-Y114 WeakPolarHBondContact O-CD2 3.38Å; T110-Y114 PolarHBondContact O-N 3.37Å
111E89.5Confident86.3Confident43 Ų4379.4 Ų79.420%0.20139%0.388CS..Hα-helixtrans-66.4-39.9179.5-70.7165.7-163.300111.5P107 E108 R115 I129 S131 T134P107-E111 WeakPolarHBondContact O-CG 3.4Å; P107-E111 PolarHBondContact O-N 2.93Å; E108-E111 PolarHBondContact O-N 3.28Å; E111-R115 VanDerWaalsContact O-CB 3.31Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.77Å; E111-I129 HydrophobicContact CG-CB 4.34Å; E111-I129 HydrophobicContact CG-CG2 4.24Å; E111-S131 PolarHBondContact OE1-N 3.41Å; E111-T134 PolarHBondContact OE1-OG1 3.35Å
112Q89.5Confident86.2Confident103 Ų10381 Ų8148%0.48141%0.41SS..Hα-helixtrans-63-40.3170.6-71.217621.600112.7E108 R115 K116E108-Q112 WeakPolarHBondContact O-CB 3.27Å; E108-Q112 VanDerWaalsContact O-CG 3.26Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 2.98Å; Q112-R115 PolarHBondContact O-N 2.89Å; Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 VanDerWaalsContact O-CG 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.43Å; Q112-K116 PolarHBondContact O-N 3.01Å
113F90.8Very high86.3Confident116 Ų11679.1 Ų79.151%0.50940%0.402SS..Hα-helixtrans-62-50176.3171.3-94.5000111.3K109 T110 R115 K116 L117K109-F113 VanDerWaalsContact O-CB 3.29Å; K109-F113 WeakPolarHBondContact O-CB 3.42Å; K109-F113 PolarHBondContact O-N 3.14Å; T110-F113 WeakPolarHBondContact O-CB 3.45Å; T110-F113 PolarHBondContact O-N 2.95Å; F113-R115 PolarHBondContact O-N 3.43Å; F113-K116 PolarHBondContact O-N 3.02Å; F113-L117 PolarHBondContact O-N 3.48Å
114Y90.8Very high86.8Confident8 Ų883.7 Ų83.73%0.03141%0.412CS..Hα-helixtrans-67-35.5177.1-73.5-72.1000112.2T99 K100 E102 T110 K116 L117 L118 R160 L185T99-Y114 HydrophobicContact CG2-CD1 4.14Å; T99-Y114 HydrophobicContact CG2-CD2 3.63Å; T99-Y114 HydrophobicContact CG2-CE1 4.39Å; T99-Y114 HydrophobicContact CG2-CE2 3.92Å; T99-Y114 HydrophobicContact CG2-CG 3.76Å; K100-Y114 WeakPolarHBondContact O-CE2 3.39Å; K100-Y114 PolarHBondContact O-OH 3.09Å; K100-Y114 VanDerWaalsContact O-OH 3.13Å; E102-Y114 PolarHBondContact OE1-OH 2.93Å; E102-Y114 VanDerWaalsContact OE1-OH 3.13Å; T110-Y114 HydrophobicContact CG2-CD2 3.84Å; T110-Y114 HydrophobicContact CG2-CE2 3.61Å; T110-Y114 WeakPolarHBondContact O-CD2 3.38Å; T110-Y114 PolarHBondContact O-N 3.37Å; Y114-K116 PolarHBondContact O-N 2.86Å; Y114-L117 HydrophobicContact CD1-CD2 4.21Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 2.9Å; Y114-L118 VanDerWaalsContact O-CG 3.3Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.94Å; Y114-R160 PolarHBondContact OH-NH2 3.31Å; Y114-L185 HydrophobicContact CD1-CD1 4.28Å; Y114-L185 HydrophobicContact CE1-CD1 3.81Å
115R92.3Very high87.8Confident116 Ų11677.7 Ų77.744%0.43838%0.382SS..Hα-helixtrans-62.8-40.8173.3-167.1174.1-72.3-83.45.4111.6E111 Q112 F113 N119 S127 I129E111-R115 VanDerWaalsContact O-CB 3.31Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 PolarHBondContact O-N 2.77Å; Q112-R115 PolarHBondContact O-N 2.89Å; F113-R115 PolarHBondContact O-N 3.43Å; R115-N119 WeakPolarHBondContact O-CB 3.25Å; R115-N119 PolarHBondContact O-N 3.26Å; R115-N119 PolarHBondContact O-OD1 3.24Å; R115-S127 PolarHBondContact NH2-O 2.8Å; R115-I129 HydrophobicContact CB-CD1 3.84Å
116K91.9Very high88.4Confident134 Ų13476 Ų7658%0.58337%0.369SS*.Hα-helixtrans-63.2-39.5171.8-73.6168.9-179.7175.90112.1Q112 F113 Y114 K120Q112-K116 WeakPolarHBondContact O-CB 3.48Å; Q112-K116 VanDerWaalsContact O-CG 3.29Å; Q112-K116 WeakPolarHBondContact O-CG 3.43Å; Q112-K116 PolarHBondContact O-N 3.01Å; F113-K116 PolarHBondContact O-N 3.02Å; Y114-K116 PolarHBondContact O-N 2.86Å; K116-K120 WeakPolarHBondContact O-CG 3.3Å; K116-K120 PolarHBondContact O-N 2.7Å; K116-K120 VanDerWaalsContact O-N 3.07Å
117L90Very high88.6Confident43 Ų4375.6 Ų75.623%0.22537%0.369CS..Hα-helixtrans-66.1-46176.6-177.464.5000112.3F113 Y114 N119 K120 H121 L190F113-L117 PolarHBondContact O-N 3.48Å; Y114-L117 HydrophobicContact CD1-CD2 4.21Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 2.9Å; L117-N119 PolarHBondContact O-N 2.82Å; L117-K120 WeakPolarHBondContact O-CB 3.08Å; L117-K120 PolarHBondContact O-N 3.02Å; L117-H121 PolarHBondContact O-CD2 3.45Å; L117-H121 VanDerWaalsContact O-CD2 3.31Å; L117-H121 PolarHBondContact O-N 3.04Å; L117-L190 HydrophobicContact CD2-CD2 3.95Å; L117-L190 HydrophobicContact CG-CD2 3.98Å
118L91.1Very high89Confident8 Ų877.1 Ų77.14%0.04237%0.373CS..Hα-helixtrans-61-44.4176.7-68.4174.4000111.3L97 Y114 K120 H121 G122 I123 I126 I129 L190 I194L97-L118 HydrophobicContact CD2-CD1 4.28Å; Y114-L118 VanDerWaalsContact O-CG 3.3Å; Y114-L118 WeakPolarHBondContact O-CG 3.27Å; Y114-L118 PolarHBondContact O-N 2.94Å; L118-K120 PolarHBondContact O-N 3.49Å; L118-H121 CarbonylContact O-C 3.41Å; L118-H121 PolarHBondContact O-N 2.73Å; L118-H121 VanDerWaalsContact O-N 3.09Å; L118-G122 PolarHBondContact O-N 2.66Å; L118-G122 VanDerWaalsContact O-N 3.13Å; L118-I123 HydrophobicContact CB-CB 4.24Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CD1 3.81Å; L118-I123 HydrophobicContact CD2-CG2 4.22Å; L118-I123 PolarHBondContact O-N 2.79Å; L118-I126 HydrophobicContact CD1-CB 4.17Å; L118-I126 HydrophobicContact CD1-CD1 3.83Å; L118-I126 HydrophobicContact CD1-CG2 4.22Å; L118-I126 HydrophobicContact CD2-CD1 3.97Å; L118-I129 HydrophobicContact CD1-CD1 3.79Å; L118-I129 HydrophobicContact CD1-CG1 4.35Å; L118-L190 HydrophobicContact CD2-CD2 4.38Å; L118-I194 HydrophobicContact CD2-CD1 3.73Å
119N91.9Very high89.4Confident103 Ų10371 Ų7155%0.55135%0.345SS*.Hα-helixtrans-59.8-42175.3-72.5-1.2000112.4R115 L117 H121 G122R115-N119 WeakPolarHBondContact O-CB 3.25Å; R115-N119 PolarHBondContact O-N 3.26Å; R115-N119 PolarHBondContact O-OD1 3.24Å; L117-N119 PolarHBondContact O-N 2.82Å; N119-H121 PolarHBondContact O-N 3.47Å; N119-G122 PolarHBondContact O-N 2.97Å
120K91.5Very high89.7Confident180 Ų18064.7 Ų64.778%0.78332%0.317SS*.Hα-helixtrans-60.4-29.2174.7-77.1178.8177.2-1690113.5K116 L117 L118K116-K120 WeakPolarHBondContact O-CG 3.3Å; K116-K120 PolarHBondContact O-N 2.7Å; K116-K120 VanDerWaalsContact O-N 3.07Å; L117-K120 WeakPolarHBondContact O-CB 3.08Å; L117-K120 PolarHBondContact O-N 3.02Å; L118-K120 PolarHBondContact O-N 3.49Å
121H87.2Confident89.9Confident67 Ų6764.6 Ų64.631%0.3132%0.317SS..THydrogen-bonded Turntrans-95.18.3175.4-71.5-73.9000113.6L117 L118 N119 I123L117-H121 PolarHBondContact O-CD2 3.45Å; L117-H121 VanDerWaalsContact O-CD2 3.31Å; L117-H121 PolarHBondContact O-N 3.04Å; L118-H121 CarbonylContact O-C 3.41Å; L118-H121 PolarHBondContact O-N 2.73Å; L118-H121 VanDerWaalsContact O-N 3.09Å; N119-H121 PolarHBondContact O-N 3.47Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 HydrophobicContact CB-CD1 3.84Å; H121-I123 HydrophobicContact CB-CG1 3.9Å; H121-I123 PolarHBondContact O-N 3.37Å
122G85.3Confident90Very high58 Ų5863 Ų6360%0.59831%0.31SS*.THydrogen-bonded Turntrans74.611178.600000115.5L118 N119 K124L118-G122 PolarHBondContact O-N 2.66Å; L118-G122 VanDerWaalsContact O-N 3.13Å; N119-G122 PolarHBondContact O-N 2.97Å; G122-K124 PolarHBondContact O-N 2.84Å
123I85.2Confident90.1Very high9 Ų960.8 Ų60.85%0.04630%0.3CS..  trans-8898.6-168.5-48.5174.8000110.2L118 H121 I126 L190 I194L118-I123 HydrophobicContact CB-CB 4.24Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CD1 3.81Å; L118-I123 HydrophobicContact CD2-CG2 4.22Å; L118-I123 PolarHBondContact O-N 2.79Å; H121-I123 VanDerWaalsContact C-N 3.3Å; H121-I123 HydrophobicContact CB-CD1 3.84Å; H121-I123 HydrophobicContact CB-CG1 3.9Å; H121-I123 PolarHBondContact O-N 3.37Å; I123-I126 HydrophobicContact CG2-CD1 4.25Å; I123-L190 HydrophobicContact CD1-CG 4.05Å; I123-I194 HydrophobicContact CD1-CB 4.4Å; I123-I194 HydrophobicContact CD1-CD1 3.8Å; I123-I194 HydrophobicContact CG2-CG2 4.03Å
124K82.2Confident90.2Very high191 Ų19155.7 Ų55.783%0.8328%0.278SS*.  trans-93.8-14179.1-64.1-178.4-178.6177.80114.3G122 I126G122-K124 PolarHBondContact O-N 2.84Å; K124-I126 PolarHBondContact O-N 3.15Å
125T84.8Confident90.3Very high52 Ų5255.6 Ų55.632%0.31928%0.278SS..  trans-73.414.8-170.7-21.70000115.4I95 V198I95-T125 WeakPolarHBondContact CB-O 3.47Å; I95-T125 HydrophobicContact CD1-CG2 4.09Å; I95-T125 VanDerWaalsContact CD1-O 3.31Å; I95-T125 WeakPolarHBondContact CD1-O 3.23Å; I95-T125 WeakPolarHBondContact CG1-O 3.31Å; T125-V198 HydrophobicContact CG2-CG1 4.49Å
126I89.9Confident90.2Very high8 Ų854.7 Ų54.74%0.04128%0.277CS..  trans-123.1106-175.7-63.9174.3000109.2I95 L97 L118 I123 K124 I129 L156 I194I95-I126 HydrophobicContact CG2-CG1 4.44Å; L97-I126 HydrophobicContact CB-CD1 4.44Å; L97-I126 HydrophobicContact CB-CG2 3.84Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å; L118-I126 HydrophobicContact CD1-CB 4.17Å; L118-I126 HydrophobicContact CD1-CD1 3.83Å; L118-I126 HydrophobicContact CD1-CG2 4.22Å; L118-I126 HydrophobicContact CD2-CD1 3.97Å; I123-I126 HydrophobicContact CG2-CD1 4.25Å; K124-I126 PolarHBondContact O-N 3.15Å; I126-I129 HydrophobicContact CG2-CG1 4.21Å; I126-L156 HydrophobicContact CD1-CD1 4.13Å; I126-I194 HydrophobicContact CD1-CD1 4.12Å; I126-I194 HydrophobicContact CD1-CG2 4.31Å
127S91.6Very high90.2Very high51 Ų5155 Ų5536%0.35728%0.279SS..  trans-66.3-59-176.8-40.50000111.3D94 I95 R115D94-S127 WeakPolarHBondContact OD1-CB 3.24Å; D94-S127 PolarHBondContact OD1-OG 3.41Å; I95-S127 PolarHBondContact N-OG 3.42Å; I95-S127 PolarHBondContact O-N 2.93Å; I95-S127 VanDerWaalsContact O-N 3.08Å; R115-S127 PolarHBondContact NH2-O 2.8Å
128Q91.9Very high90.3Very high63 Ų6358.3 Ų58.329%0.29429%0.293SS..EExtended strand (participates in β ladder)trans-122.1144.5-179.3-165.61724.100112.3I95 C96 L97 I130 F152I95-Q128 PolarHBondContact O-N 3.19Å; C96-Q128 CarbonylContact C-O 3.45Å; C96-Q128 WeakPolarHBondContact CA-O 3.37Å; L97-Q128 PolarHBondContact N-O 2.92Å; Q128-I130 HydrophobicContact CG-CD1 4.4Å; Q128-I130 HydrophobicContact CG-CG1 3.88Å; Q128-F152 HydrophobicContact CB-CE1 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.57Å; Q128-F152 HydrophobicContact CG-CZ 4.42Å
129I94Very high90.3Very high3 Ų359.7 Ų59.72%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-113.9133.9169.7-51.3175.7000105.6L97 T99 E111 R115 L118 I126L97-I129 WeakPolarHBondContact O-CA 3.36Å; T99-I129 HydrophobicContact CG2-CG2 3.48Å; T99-I129 VanDerWaalsContact CG2-CG2 3.48Å; E111-I129 HydrophobicContact CG-CB 4.34Å; E111-I129 HydrophobicContact CG-CG2 4.24Å; R115-I129 HydrophobicContact CB-CD1 3.84Å; L118-I129 HydrophobicContact CD1-CD1 3.79Å; L118-I129 HydrophobicContact CD1-CG1 4.35Å; I126-I129 HydrophobicContact CG2-CG1 4.21Å
130I93.6Very high90.3Very high0 Ų062.5 Ų62.50%031%0.305CS..EExtended strand (participates in β ladder)trans-128.7119.4-178.7-60.4-174.9000108.7L97 F98 T99 Q128 T134 L135 Y139 L148L97-I130 PolarHBondContact O-N 3.5Å; F98-I130 WeakPolarHBondContact CA-O 3.4Å; F98-I130 HydrophobicContact CD1-CB 3.96Å; F98-I130 HydrophobicContact CD1-CG2 4.21Å; F98-I130 HydrophobicContact CE1-CB 4.15Å; F98-I130 HydrophobicContact CE1-CD1 4.27Å; F98-I130 HydrophobicContact CE1-CG2 4.25Å; T99-I130 PolarHBondContact N-O 3.27Å; T99-I130 VanDerWaalsContact N-O 3.09Å; Q128-I130 HydrophobicContact CG-CD1 4.4Å; Q128-I130 HydrophobicContact CG-CG1 3.88Å; I130-T134 HydrophobicContact CG2-CG2 4.02Å; I130-L135 HydrophobicContact CG2-CB 4.23Å; I130-Y139 HydrophobicContact CD1-CE2 4.27Å; I130-Y139 HydrophobicContact CG2-CE2 4.37Å; I130-L148 HydrophobicContact CD1-CD1 3.56Å
131S93.6Very high90.4Very high0 Ų056.9 Ų56.90%029%0.288CS..EExtended strand (participates in β ladder)trans-68.7158.4176.186.30000112.5P107 E111 Q133 T134 L135P107-S131 WeakPolarHBondContact CB-OG 3.27Å; E111-S131 PolarHBondContact OE1-N 3.41Å; S131-Q133 PolarHBondContact O-N 2.92Å; S131-Q133 PolarHBondContact OG-N 2.76Å; S131-T134 WeakPolarHBondContact O-CB 3.47Å; S131-T134 PolarHBondContact O-N 3.4Å; S131-T134 PolarHBondContact OG-N 3.07Å; S131-T134 PolarHBondContact OG-OG1 3.26Å; S131-L135 WeakPolarHBondContact O-CB 2.81Å; S131-L135 PolarHBondContact O-N 2.73Å
132L92Very high90.6Very high10 Ų1060.2 Ų60.25%0.05230%0.299CS..Hα-helixtrans-69.6-23.9177.4-177.575.8000111.6T99 D101 K136 I161 L164 L168T99-L132 PolarHBondContact O-N 3.34Å; D101-L132 WeakPolarHBondContact OD1-CA 3.25Å; D101-L132 WeakPolarHBondContact OD1-CB 3.34Å; D101-L132 PolarHBondContact OD1-N 2.85Å; D101-L132 WeakPolarHBondContact OD2-CB 3.38Å; L132-K136 VanDerWaalsContact O-CD 3.26Å; L132-K136 WeakPolarHBondContact O-CD 3.48Å; L132-K136 WeakPolarHBondContact O-CG 3.39Å; L132-K136 PolarHBondContact O-N 3.05Å; L132-I161 HydrophobicContact CD1-CB 4.36Å; L132-I161 HydrophobicContact CD1-CD1 4.46Å; L132-I161 HydrophobicContact CD2-CB 4.49Å; L132-I161 HydrophobicContact CD2-CG2 4.01Å; L132-L164 HydrophobicContact CD2-CD1 3.94Å; L132-L168 HydrophobicContact CD1-CD1 3.39Å; L132-L168 HydrophobicContact CG-CD1 4.46Å
133Q91Very high91Very high57 Ų5762.8 Ų62.827%0.26630%0.296SS..Hα-helixtrans-68.2-49.9166.1-77.4-176.560.700112.3D101 S131 L135 K136 K137D101-Q133 PolarHBondContact OD1-N 2.69Å; S131-Q133 PolarHBondContact O-N 2.92Å; S131-Q133 PolarHBondContact OG-N 2.76Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.25Å; Q133-K136 PolarHBondContact O-N 2.77Å; Q133-K137 PolarHBondContact O-N 2.85Å
134T92.4Very high91.4Very high9 Ų963.2 Ų63.26%0.05530%0.301CS..Hα-helixtrans-53.2-50176.5-44.90000109.7P107 E111 I130 S131 K136 K137 E138 Y139P107-T134 WeakPolarHBondContact CB-OG1 3.28Å; E111-T134 PolarHBondContact OE1-OG1 3.35Å; I130-T134 HydrophobicContact CG2-CG2 4.02Å; S131-T134 WeakPolarHBondContact O-CB 3.47Å; S131-T134 PolarHBondContact O-N 3.4Å; S131-T134 PolarHBondContact OG-N 3.07Å; S131-T134 PolarHBondContact OG-OG1 3.26Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 2.89Å; T134-K137 PolarHBondContact O-N 3.4Å; T134-E138 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T134-E138 PolarHBondContact O-N 2.92Å; T134-E138 VanDerWaalsContact O-N 3.1Å; T134-Y139 HydrophobicContact CG2-CE2 4.17Å
135L92.6Very high91.9Very high5 Ų556 Ų563%0.02627%0.269CS..Hα-helixtrans-61.6-27.2178.5-168.666.2000114.4F98 I130 S131 Q133 Y139 L148 L165 L168 I169F98-L135 HydrophobicContact CD1-CD1 4.28Å; F98-L135 HydrophobicContact CD1-CD2 3.99Å; F98-L135 HydrophobicContact CE1-CD1 3.72Å; F98-L135 HydrophobicContact CE1-CD2 4.17Å; F98-L135 HydrophobicContact CZ-CD1 4.34Å; I130-L135 HydrophobicContact CG2-CB 4.23Å; S131-L135 WeakPolarHBondContact O-CB 2.81Å; S131-L135 PolarHBondContact O-N 2.73Å; Q133-L135 VanDerWaalsContact C-N 3.3Å; Q133-L135 PolarHBondContact O-N 3.25Å; L135-Y139 HydrophobicContact CD1-CD2 4.48Å; L135-Y139 HydrophobicContact CD1-CG 4.36Å; L135-L148 HydrophobicContact CD1-CD2 4.05Å; L135-L165 HydrophobicContact CD2-CD2 3.8Å; L135-L168 HydrophobicContact CD2-CB 4.16Å; L135-L168 HydrophobicContact CD2-CD1 4.03Å; L135-L168 HydrophobicContact CG-CB 4.34Å; L135-L168 HydrophobicContact CG-CD1 4.48Å; L135-I169 HydrophobicContact CD1-CG2 4.45Å; L135-I169 HydrophobicContact CD2-CG2 4.23Å
136K91.3Very high92.3Very high97 Ų9756.6 Ų56.642%0.42227%0.27SS..Hα-helixtrans-84.5-32176.9-76.2164.5-174.1160.40113.4L132 Q133 T134 L168L132-K136 VanDerWaalsContact O-CD 3.26Å; L132-K136 WeakPolarHBondContact O-CD 3.48Å; L132-K136 WeakPolarHBondContact O-CG 3.39Å; L132-K136 PolarHBondContact O-N 3.05Å; Q133-K136 PolarHBondContact O-N 2.77Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 2.89Å; K136-L168 HydrophobicContact CG-CD1 4.22Å; K136-L168 HydrophobicContact CG-CD2 3.77Å
137K91.9Very high92.5Very high142 Ų14263.9 Ų63.962%0.61730%0.297SS*.Hα-helixtrans-86.6-67.7-174.8-70.5179178.2178.10111.2Q133 T134Q133-K137 PolarHBondContact O-N 2.85Å; T134-K137 PolarHBondContact O-N 3.4Å
138E91.6Very high92.6Very high111 Ų11161.7 Ų61.752%0.51928%0.281SS..G310 helixtrans-73.5-52.7-173.1-69.1148.1-133.700111.4T134 K140T134-E138 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E138 WeakPolarHBondContact CG2-OE2 3.4Å; T134-E138 PolarHBondContact O-N 2.92Å; T134-E138 VanDerWaalsContact O-N 3.1Å; E138-K140 PolarHBondContact O-N 2.68Å
139Y91.4Very high92.6Very high38 Ų3859.3 Ų59.315%0.14927%0.271CS..G310 helixtrans-79.425.5-175.1-58.8-84.1000113.3I130 T134 L135 A144 K145 L148I130-Y139 HydrophobicContact CD1-CE2 4.27Å; I130-Y139 HydrophobicContact CG2-CE2 4.37Å; T134-Y139 HydrophobicContact CG2-CE2 4.17Å; L135-Y139 HydrophobicContact CD1-CD2 4.48Å; L135-Y139 HydrophobicContact CD1-CG 4.36Å; Y139-A144 HydrophobicContact CD1-CB 4.07Å; Y139-K145 WeakPolarHBondContact O-CE 3.45Å; Y139-K145 VanDerWaalsContact O-CG 3.27Å; Y139-K145 WeakPolarHBondContact O-CG 3.22Å; Y139-L148 HydrophobicContact CD1-CB 3.77Å; Y139-L148 HydrophobicContact CD1-CD1 4.42Å; Y139-L148 HydrophobicContact CD1-CD2 3.71Å; Y139-L148 HydrophobicContact CD1-CG 4.18Å; Y139-L148 HydrophobicContact CE1-CB 3.74Å; Y139-L148 HydrophobicContact CE1-CD1 3.91Å; Y139-L148 HydrophobicContact CE1-CD2 4.05Å; Y139-L148 HydrophobicContact CE1-CG 4.11Å; Y139-L148 HydrophobicContact CG-CD2 4.08Å
140K91.1Very high92.5Very high161 Ų16164 Ų6470%0.730%0.303SS*.G310 helixtrans-74.8-38.2174.9-175.4179.1175.3-172.70112.1E138 K145E138-K140 PolarHBondContact O-N 2.68Å; K140-K145 VanDerWaalsContact O-CE 3.27Å; K140-K145 WeakPolarHBondContact O-CE 3.24Å; K140-K145 PolarHBondContact O-NZ 3.13Å
141S93.6Very high92.4Very high62 Ų6267.3 Ų67.343%0.43433%0.327SS..SBendtrans-69.6159.3-175.6760000112.7A144 K145S141-A144 VanDerWaalsContact OG-CB 3.23Å; S141-A144 WeakPolarHBondContact OG-CB 3.49Å; S141-A144 PolarHBondContact OG-N 3.08Å; S141-K145 WeakPolarHBondContact O-CG 3.13Å; S141-K145 PolarHBondContact O-N 2.78Å
142Y92.1Very high92.4Very high137 Ų13768 Ų6854%0.53733%0.33SS..Hα-helixtrans-61.9-47.5178.2179.6-95.8000111.6K145 L146 H172Y142-K145 PolarHBondContact O-N 2.94Å; Y142-L146 HydrophobicContact CD1-CD1 4.07Å; Y142-L146 HydrophobicContact CE1-CD1 3.41Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.41Å; Y142-L146 HydrophobicContact CE1-CG 4.27Å; Y142-L146 PolarHBondContact O-N 2.94Å; Y142-H172 AromaticContact CE2-CE1 3.42Å; Y142-H172 VanDerWaalsContact CE2-CE1 3.42Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.4Å; Y142-H172 AromaticContact CE2-NE2 3.4Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.43Å; Y142-H172 AromaticContact CZ-CE1 3.89Å
143E93.8Very high92.3Very high113 Ų11371.7 Ų71.753%0.52835%0.35SS..Hα-helixtrans-64.7-44.5-179.8-70.1-176.2-140.700112.9K145 L146 R147E143-K145 PolarHBondContact O-N 3.15Å; E143-L146 CarbonylContact O-C 3.53Å; E143-L146 WeakPolarHBondContact O-CA 3.35Å; E143-L146 PolarHBondContact O-N 3.07Å; E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.33Å; E143-R147 IonicContact OE2-CZ 3.82Å; E143-R147 IonicContact OE2-NE 2.98Å; E143-R147 IonicContact OE2-NH2 3.74Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å
144A94Very high92.4Very high18 Ų1869.8 Ų69.815%0.14934%0.34CS..Hα-helixtrans-59.4-36.2-179.200000111.7Y139 S141 R147 L148Y139-A144 HydrophobicContact CD1-CB 4.07Å; S141-A144 VanDerWaalsContact OG-CB 3.23Å; S141-A144 WeakPolarHBondContact OG-CB 3.49Å; S141-A144 PolarHBondContact OG-N 3.08Å; A144-R147 PolarHBondContact O-N 2.87Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.19Å; A144-L148 PolarHBondContact O-N 2.93Å
145K92.3Very high92.4Very high39 Ų3969.4 Ų69.417%0.1734%0.338CS..Hα-helixtrans-67.2-34.7174.2-65.5174.7-167.4-170.70112.9Y139 K140 S141 Y142 E143 L149 L168Y139-K145 WeakPolarHBondContact O-CE 3.45Å; Y139-K145 VanDerWaalsContact O-CG 3.27Å; Y139-K145 WeakPolarHBondContact O-CG 3.22Å; K140-K145 VanDerWaalsContact O-CE 3.27Å; K140-K145 WeakPolarHBondContact O-CE 3.24Å; K140-K145 PolarHBondContact O-NZ 3.13Å; S141-K145 WeakPolarHBondContact O-CG 3.13Å; S141-K145 PolarHBondContact O-N 2.78Å; Y142-K145 PolarHBondContact O-N 2.94Å; E143-K145 PolarHBondContact O-N 3.15Å; K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.15Å; K145-L168 WeakPolarHBondContact CE-O 3.44Å; K145-L168 PolarHBondContact NZ-O 2.92Å
146L92.9Very high92.5Very high65 Ų6569.2 Ų69.234%0.3434%0.337SS..Hα-helixtrans-74.5-40.2174.8-68.3-174.6000112.2Y142 E143 L149 S150 H172Y142-L146 HydrophobicContact CD1-CD1 4.07Å; Y142-L146 HydrophobicContact CE1-CD1 3.41Å; Y142-L146 VanDerWaalsContact CE1-CD1 3.41Å; Y142-L146 HydrophobicContact CE1-CG 4.27Å; Y142-L146 PolarHBondContact O-N 2.94Å; E143-L146 CarbonylContact O-C 3.53Å; E143-L146 WeakPolarHBondContact O-CA 3.35Å; E143-L146 PolarHBondContact O-N 3.07Å; L146-L149 PolarHBondContact O-N 3.4Å; L146-S150 WeakPolarHBondContact O-CB 3.46Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-H172 HydrophobicContact CD2-CB 4.07Å
147R93.9Very high92.6Very high161 Ų16164.6 Ų64.661%0.60832%0.317SS*.Hα-helixtrans-59.2-53.1173.8-65.6177.4-162.7-163.16.3109.9E143 A144 L149 S150 S151E143-R147 WeakPolarHBondContact O-CG 3.36Å; E143-R147 PolarHBondContact O-N 3.33Å; E143-R147 IonicContact OE2-CZ 3.82Å; E143-R147 IonicContact OE2-NE 2.98Å; E143-R147 IonicContact OE2-NH2 3.74Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å; A144-R147 PolarHBondContact O-N 2.87Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.14Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.29Å; R147-S150 WeakPolarHBondContact O-CB 3.25Å; R147-S150 PolarHBondContact O-N 3.29Å; R147-S151 PolarHBondContact O-N 3.45Å; R147-S151 PolarHBondContact O-OG 3.17Å
148L93.3Very high92.7Very high5 Ų557.8 Ų57.83%0.02629%0.287CS..Hα-helixtrans-54.2-43.2175.6-176.663.4000113F98 I130 L135 Y139 A144 S150 S151 F152 F155 F173F98-L148 HydrophobicContact CE1-CD2 4.2Å; F98-L148 HydrophobicContact CZ-CD2 4.08Å; I130-L148 HydrophobicContact CD1-CD1 3.56Å; L135-L148 HydrophobicContact CD1-CD2 4.05Å; Y139-L148 HydrophobicContact CD1-CB 3.77Å; Y139-L148 HydrophobicContact CD1-CD1 4.42Å; Y139-L148 HydrophobicContact CD1-CD2 3.71Å; Y139-L148 HydrophobicContact CD1-CG 4.18Å; Y139-L148 HydrophobicContact CE1-CB 3.74Å; Y139-L148 HydrophobicContact CE1-CD1 3.91Å; Y139-L148 HydrophobicContact CE1-CD2 4.05Å; Y139-L148 HydrophobicContact CE1-CG 4.11Å; Y139-L148 HydrophobicContact CG-CD2 4.08Å; A144-L148 VanDerWaalsContact O-CB 3.31Å; A144-L148 WeakPolarHBondContact O-CB 3.19Å; A144-L148 PolarHBondContact O-N 2.93Å; L148-S150 PolarHBondContact O-N 2.78Å; L148-S151 PolarHBondContact O-N 3.29Å; L148-F152 HydrophobicContact CD1-CD2 3.8Å; L148-F152 HydrophobicContact CD1-CE2 3.84Å; L148-F155 HydrophobicContact CD1-CE1 4.38Å; L148-F155 HydrophobicContact CG-CE1 4.21Å; L148-F155 WeakPolarHBondContact O-CZ 3.39Å; L148-F173 HydrophobicContact CD2-CZ 3.97Å; L148-F173 HydrophobicContact CG-CZ 4.11Å
149L92.1Very high92.7Very high13 Ų1354.8 Ų54.87%0.06828%0.282CS..Hα-helixtrans-70.5-17.5178.6-176.359000113.8K145 L146 R147 F155 H172 F173 R176 K178K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.99Å; K145-L149 VanDerWaalsContact O-N 3.15Å; L146-L149 PolarHBondContact O-N 3.4Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.14Å; L149-F155 HydrophobicContact CD1-CE2 4.17Å; L149-H172 HydrophobicContact CD2-CB 3.81Å; L149-F173 HydrophobicContact CB-CD2 4.47Å; L149-F173 HydrophobicContact CB-CE2 3.96Å; L149-F173 HydrophobicContact CB-CZ 4.11Å; L149-F173 HydrophobicContact CD1-CD1 3.95Å; L149-F173 HydrophobicContact CD1-CD2 4.16Å; L149-F173 HydrophobicContact CD1-CE1 4.12Å; L149-F173 HydrophobicContact CD1-CE2 4.3Å; L149-F173 HydrophobicContact CD1-CG 3.96Å; L149-F173 HydrophobicContact CD1-CZ 4.28Å; L149-F173 HydrophobicContact CD2-CD2 4.19Å; L149-F173 HydrophobicContact CD2-CE2 4.47Å; L149-F173 HydrophobicContact CG-CE2 4.49Å; L149-R176 HydrophobicContact CD1-CB 4.38Å; L149-R176 HydrophobicContact CD2-CB 4.16Å; L149-R176 HydrophobicContact CD2-CG 3.9Å; L149-R176 HydrophobicContact CG-CG 4.5Å; L149-K178 HydrophobicContact CD1-CB 3.84Å; L149-K178 HydrophobicContact CD1-CD 3.92Å; L149-K178 HydrophobicContact CD1-CG 4.38Å; L149-K178 PolarHBondContact O-NZ 3.25Å
150S91.9Very high92.7Very high101 Ų10157.1 Ų57.171%0.70629%0.29SS*.Hα-helixtrans-96.9-25.2176.5-161.80000113.2L146 R147 L148L146-S150 WeakPolarHBondContact O-CB 3.46Å; L146-S150 PolarHBondContact O-N 3.03Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.29Å; R147-S150 WeakPolarHBondContact O-CB 3.25Å; R147-S150 PolarHBondContact O-N 3.29Å; L148-S150 PolarHBondContact O-N 2.78Å
151S92.4Very high92.7Very high70 Ų7049.6 Ų49.649%0.4926%0.258SS..Hα-helixtrans-81.1-17.8179.3-61.30000114.5R147 L148R147-S151 PolarHBondContact O-N 3.45Å; R147-S151 PolarHBondContact O-OG 3.17Å; L148-S151 PolarHBondContact O-N 3.29Å
152F93.3Very high92.6Very high14 Ų1451.5 Ų51.56%0.06126%0.255CS..  trans-132.5140.6-177.1-61.7-77000112D94 C96 Q128 L148 F155 K178D94-F152 HydrophobicContact CB-CD1 3.93Å; D94-F152 HydrophobicContact CB-CE1 4.48Å; C96-F152 HydrophobicContact CB-CB 4.07Å; C96-F152 HydrophobicContact CB-CD1 3.71Å; C96-F152 HydrophobicContact CB-CD2 3.8Å; C96-F152 HydrophobicContact CB-CE1 4.15Å; C96-F152 HydrophobicContact CB-CE2 4.21Å; C96-F152 HydrophobicContact CB-CG 3.55Å; C96-F152 HydrophobicContact CB-CZ 4.4Å; Q128-F152 HydrophobicContact CB-CE1 3.88Å; Q128-F152 HydrophobicContact CB-CZ 3.57Å; Q128-F152 HydrophobicContact CG-CZ 4.42Å; L148-F152 HydrophobicContact CD1-CD2 3.8Å; L148-F152 HydrophobicContact CD1-CE2 3.84Å; F152-F155 HydrophobicContact CB-CE1 3.81Å; F152-F155 HydrophobicContact CB-CE2 4.27Å; F152-F155 HydrophobicContact CB-CZ 3.64Å; F152-F155 HydrophobicContact CD2-CE1 4.21Å; F152-F155 HydrophobicContact CD2-CZ 4.49Å; F152-F155 HydrophobicContact CG-CE1 4.3Å; F152-F155 HydrophobicContact CG-CZ 4.5Å; F152-K178 PolarHBondContact O-NZ 2.9Å
153D90.3Very high92.5Very high88 Ų8855.8 Ų55.847%0.47127%0.27SS..SBendtrans-91.9-32.9176.4-77.7-48.6000113.3E93 D94 K178E93-D153 HydrophobicContact CG-CB 4.47Å; D94-D153 PolarHBondContact O-N 3.43Å; D153-K178 VanDerWaalsContact OD1-CE 3.25Å; D153-K178 WeakPolarHBondContact OD1-CE 3.49Å; D153-K178 IonicContact OD1-NZ 3.33Å; D153-K178 PolarHBondContact OD1-NZ 3.39Å
154F91.6Very high92.3Very high16 Ų1654.8 Ų54.87%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-124.8142.9175.7-166.1-139.6000113.7D94 I95 C96 L156 V181 C197 V198D94-F154 PolarHBondContact O-N 2.84Å; D94-F154 VanDerWaalsContact O-N 3.17Å; I95-F154 WeakPolarHBondContact CA-O 3.21Å; I95-F154 HydrophobicContact CD1-CD1 4.21Å; I95-F154 HydrophobicContact CG1-CB 4.32Å; I95-F154 HydrophobicContact CG2-CB 4.39Å; I95-F154 HydrophobicContact CG2-CD1 4.1Å; C96-F154 PolarHBondContact N-O 2.91Å; F154-L156 HydrophobicContact CD1-CD2 4.14Å; F154-L156 HydrophobicContact CD1-CG 4.34Å; F154-L156 HydrophobicContact CE1-CD2 3.39Å; F154-L156 HydrophobicContact CE1-CG 4.06Å; F154-L156 HydrophobicContact CZ-CD2 3.77Å; F154-V181 HydrophobicContact CE2-CB 4.14Å; F154-V181 HydrophobicContact CE2-CG2 3.48Å; F154-V181 VanDerWaalsContact CE2-CG2 3.48Å; F154-V181 HydrophobicContact CZ-CB 3.9Å; F154-V181 HydrophobicContact CZ-CG2 3.68Å; F154-C197 WeakPolarHBondContact CE1-O 3.4Å; F154-C197 WeakPolarHBondContact CZ-O 3.42Å; F154-V198 HydrophobicContact CE1-CG2 4.27Å
155F94.1Very high92.2Very high2 Ų254.1 Ų54.11%0.00926%0.262CS..EExtended strand (participates in β ladder)trans-122.8120.5178.7-65.3-81000110C96 F98 L148 L149 F152 F173 K178 P180 V181C96-F155 HydrophobicContact CB-CD1 3.66Å; C96-F155 HydrophobicContact CB-CE1 3.79Å; C96-F155 CarbonylContact O-C 3.5Å; C96-F155 WeakPolarHBondContact O-CA 3.38Å; F98-F155 HydrophobicContact CE2-CB 4.09Å; F98-F155 AromaticContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CD1 3.48Å; F98-F155 VanDerWaalsContact CE2-CD1 3.48Å; F98-F155 HydrophobicContact CE2-CE1 4.28Å; F98-F155 HydrophobicContact CE2-CG 4.09Å; F98-F155 AromaticContact CZ-CD1 3.6Å; F98-F155 HydrophobicContact CZ-CD1 3.6Å; F98-F155 AromaticContact CZ-CE1 3.96Å; F98-F155 HydrophobicContact CZ-CE1 3.96Å; L148-F155 HydrophobicContact CD1-CE1 4.38Å; L148-F155 HydrophobicContact CG-CE1 4.21Å; L148-F155 WeakPolarHBondContact O-CZ 3.39Å; L149-F155 HydrophobicContact CD1-CE2 4.17Å; F152-F155 HydrophobicContact CB-CE1 3.81Å; F152-F155 HydrophobicContact CB-CE2 4.27Å; F152-F155 HydrophobicContact CB-CZ 3.64Å; F152-F155 HydrophobicContact CD2-CE1 4.21Å; F152-F155 HydrophobicContact CD2-CZ 4.49Å; F152-F155 HydrophobicContact CG-CE1 4.3Å; F152-F155 HydrophobicContact CG-CZ 4.5Å; F155-F173 HydrophobicContact CD1-CE1 4.05Å; F155-F173 HydrophobicContact CD2-CD1 4.16Å; F155-F173 AromaticContact CD2-CE1 3.87Å; F155-F173 HydrophobicContact CD2-CE1 3.87Å; F155-F173 AromaticContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CZ 4.27Å; F155-F173 HydrophobicContact CE2-CD1 4.09Å; F155-F173 AromaticContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.11Å; F155-F173 HydrophobicContact CZ-CD1 4.43Å; F155-F173 AromaticContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CE1 3.48Å; F155-F173 VanDerWaalsContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CZ 4Å; F155-K178 HydrophobicContact CD2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.26Å; F155-P180 HydrophobicContact CB-CB 3.79Å; F155-P180 HydrophobicContact CB-CG 3.68Å; F155-P180 HydrophobicContact CG-CG 4.33Å; F155-P180 CarbonylContact O-C 3.56Å; F155-P180 VanDerWaalsContact O-CA 3.28Å; F155-P180 WeakPolarHBondContact O-CA 3.43Å; F155-V181 PolarHBondContact O-N 3.34Å
156L94.1Very high92.1Very high0 Ų055.1 Ų55.10%027%0.273CS..EExtended strand (participates in β ladder)trans-97.3158166.4-64179.1000109.7I95 C96 L97 F98 I126 F154 V181 V183 I194 C197 V198I95-L156 HydrophobicContact CG2-CD1 4.05Å; I95-L156 HydrophobicContact CG2-CG 4.04Å; C96-L156 PolarHBondContact O-N 2.95Å; L97-L156 HydrophobicContact CB-CB 4.44Å; L97-L156 HydrophobicContact CD1-CB 3.56Å; F98-L156 WeakPolarHBondContact CD2-O 3.25Å; F98-L156 PolarHBondContact N-O 3.24Å; I126-L156 HydrophobicContact CD1-CD1 4.13Å; F154-L156 HydrophobicContact CD1-CD2 4.14Å; F154-L156 HydrophobicContact CD1-CG 4.34Å; F154-L156 HydrophobicContact CE1-CD2 3.39Å; F154-L156 HydrophobicContact CE1-CG 4.06Å; F154-L156 HydrophobicContact CZ-CD2 3.77Å; L156-V181 CarbonylContact C-O 3.48Å; L156-V181 WeakPolarHBondContact CA-O 3.39Å; L156-V181 HydrophobicContact CD2-CB 4.36Å; L156-V183 HydrophobicContact CB-CG2 4.42Å; L156-V183 HydrophobicContact CD1-CG2 4.45Å; L156-V183 HydrophobicContact CD2-CG2 3.84Å; L156-V183 HydrophobicContact CG-CG2 4.47Å; L156-I194 HydrophobicContact CD1-CG2 4.21Å; L156-C197 HydrophobicContact CD2-CB 4.27Å; L156-V198 HydrophobicContact CD1-CG2 4.32Å
157T94Very high92Very high0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-146.9147.3173.41750000111.3F98 A159 I161 R162 L165 P180 V181 S182 V183F98-T157 CarbonylContact O-C 3.58Å; F98-T157 WeakPolarHBondContact O-CA 3.5Å; T157-A159 PolarHBondContact O-N 3.19Å; T157-I161 WeakPolarHBondContact OG1-CD1 3.13Å; T157-I161 WeakPolarHBondContact OG1-CG1 3.49Å; T157-R162 HydrophobicContact CG2-CB 4.39Å; T157-L165 HydrophobicContact CG2-CD1 3.71Å; T157-L165 WeakPolarHBondContact OG1-CD1 3.45Å; T157-P180 HydrophobicContact CG2-CB 3.9Å; T157-V181 PolarHBondContact N-O 3.18Å; T157-S182 CarbonylContact O-C 3.58Å; T157-S182 VanDerWaalsContact O-CA 3.22Å; T157-S182 WeakPolarHBondContact O-CA 3.45Å; T157-V183 PolarHBondContact O-N 2.89Å
158D93.4Very high91.8Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-55.2133.7162.2-167.6-30.9000110.4F98 R160 I161 R162 L185F98-D158 PolarHBondContact O-N 2.92Å; D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.02Å; D158-R160 VanDerWaalsContact OD1-CG 3.27Å; D158-R160 WeakPolarHBondContact OD1-CG 3.39Å; D158-R160 PolarHBondContact OD1-N 3.39Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 PolarHBondContact OD1-NE 2.95Å; D158-R160 IonicContact OD2-CZ 3.26Å; D158-R160 IonicContact OD2-NE 3.85Å; D158-R160 PolarHBondContact OD2-NE 2.79Å; D158-R160 IonicContact OD2-NH2 2.74Å; D158-R160 PolarHBondContact OD2-NH2 3.43Å; D158-I161 HydrophobicContact CB-CD1 4.31Å; D158-I161 HydrophobicContact CB-CG1 4.17Å; D158-I161 PolarHBondContact O-N 2.87Å; D158-R162 PolarHBondContact O-N 3.35Å; D158-L185 HydrophobicContact CB-CD1 3.74Å; D158-L185 HydrophobicContact CB-CG 4.23Å
159A91.5Very high91.6Very high48 Ų4850.8 Ų50.840%0.39727%0.27SS..THydrogen-bonded Turntrans-55.9-31172.100000112.7T157 V183T157-A159 PolarHBondContact O-N 3.19Å; A159-V183 PolarHBondContact N-O 3.35Å
160R91.3Very high91.3Very high86 Ų8651 Ų5133%0.32528%0.276SS..THydrogen-bonded Turntrans-60-44177.4-64.5-178.1-71170.86.1112.1K100 E102 Y114 D158K100-R160 VanDerWaalsContact CD-CZ 3.47Å; E102-R160 IonicContact OE1-CZ 2.7Å; E102-R160 VanDerWaalsContact OE1-CZ 3.26Å; E102-R160 IonicContact OE1-NH1 2.76Å; E102-R160 PolarHBondContact OE1-NH1 3.2Å; E102-R160 IonicContact OE1-NH2 2.86Å; E102-R160 PolarHBondContact OE1-NH2 3.42Å; E102-R160 IonicContact OE2-NH1 3.86Å; Y114-R160 PolarHBondContact OH-NH2 3.31Å; D158-R160 PolarHBondContact O-N 3.14Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.02Å; D158-R160 VanDerWaalsContact OD1-CG 3.27Å; D158-R160 WeakPolarHBondContact OD1-CG 3.39Å; D158-R160 PolarHBondContact OD1-N 3.39Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 PolarHBondContact OD1-NE 2.95Å; D158-R160 IonicContact OD2-CZ 3.26Å; D158-R160 IonicContact OD2-NE 3.85Å; D158-R160 PolarHBondContact OD2-NE 2.79Å; D158-R160 IonicContact OD2-NH2 2.74Å; D158-R160 PolarHBondContact OD2-NH2 3.43Å
161I91.4Very high91.2Very high4 Ų454.8 Ų54.82%0.02127%0.274CS..THydrogen-bonded Turntrans-92.4-12.9-173.273.5-175.3000114.3F98 T99 K100 L132 T157 D158 R163 L164 L165F98-I161 HydrophobicContact CB-CD1 3.76Å; T99-I161 WeakPolarHBondContact O-CD1 3.27Å; K100-I161 HydrophobicContact CB-CG2 3.63Å; K100-I161 HydrophobicContact CG-CG2 3.96Å; L132-I161 HydrophobicContact CD1-CB 4.36Å; L132-I161 HydrophobicContact CD1-CD1 4.46Å; L132-I161 HydrophobicContact CD2-CB 4.49Å; L132-I161 HydrophobicContact CD2-CG2 4.01Å; T157-I161 WeakPolarHBondContact OG1-CD1 3.13Å; T157-I161 WeakPolarHBondContact OG1-CG1 3.49Å; D158-I161 HydrophobicContact CB-CD1 4.31Å; D158-I161 HydrophobicContact CB-CG1 4.17Å; D158-I161 PolarHBondContact O-N 2.87Å; I161-R163 PolarHBondContact O-N 2.78Å; I161-L164 PolarHBondContact O-N 2.89Å; I161-L165 HydrophobicContact CD1-CD2 4.44Å; I161-L165 HydrophobicContact CG1-CD2 4.49Å
162R90.3Very high91.1Very high102 Ų10252.6 Ų52.639%0.38526%0.256SS..THydrogen-bonded Turntrans-48.5-31-174.8172.6174.2162.7-166.9-6.3114.6T157 D158 L164 S182T157-R162 HydrophobicContact CG2-CB 4.39Å; D158-R162 PolarHBondContact O-N 3.35Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-S182 WeakPolarHBondContact CD-OG 3.34Å; R162-S182 PolarHBondContact NH1-OG 2.74Å; R162-S182 VanDerWaalsContact NH1-OG 3.07Å
163R90.6Very high91Very high227 Ų22752 Ų5286%0.85725%0.253SS*.THydrogen-bonded Turntrans-69.1-27178.2-67.5-175.4176.8116.2-4.5113.8I161I161-R163 PolarHBondContact O-N 2.78Å
164L90.9Very high90.8Very high92 Ų9252 Ų5248%0.48225%0.248SC..THydrogen-bonded Turntrans-89.5-30.5-176.1-57.2177.4000112.5L132 I161 R162 S167L132-L164 HydrophobicContact CD2-CD1 3.94Å; I161-L164 PolarHBondContact O-N 2.89Å; R162-L164 VanDerWaalsContact C-N 3.34Å; L164-S167 PolarHBondContact O-N 3.24Å
165L91.1Very high90.7Very high3 Ų358.2 Ų58.22%0.01628%0.277CS..Hα-helixtrans-47.9-42.9-177.3-68-176.4000115.9F98 L135 T157 I161 S167 L168 I169 P180F98-L165 HydrophobicContact CB-CD2 4.49Å; F98-L165 HydrophobicContact CD2-CD2 4.36Å; F98-L165 HydrophobicContact CG-CD2 4.42Å; L135-L165 HydrophobicContact CD2-CD2 3.8Å; T157-L165 HydrophobicContact CG2-CD1 3.71Å; T157-L165 WeakPolarHBondContact OG1-CD1 3.45Å; I161-L165 HydrophobicContact CD1-CD2 4.44Å; I161-L165 HydrophobicContact CG1-CD2 4.49Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-S167 VanDerWaalsContact O-N 3.12Å; L165-L168 PolarHBondContact O-N 2.85Å; L165-I169 HydrophobicContact CB-CD1 4.41Å; L165-I169 HydrophobicContact CD2-CG2 4.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.36Å; L165-P180 HydrophobicContact CD1-CB 3.84Å; L165-P180 HydrophobicContact CD1-CG 4.06Å
166P90.1Very high90.4Very high61 Ų6167.3 Ų67.340%0.39631%0.311SS..Hα-helixtrans-58.1-31.5-176-20.729.7000113.5G170 Y174P166-G170 PolarHBondContact O-N 2.81Å; P166-Y174 HydrophobicContact CB-CE2 4.43Å; P166-Y174 WeakPolarHBondContact CG-OH 3.43Å
167S90.7Very high90Very high105 Ų10575.5 Ų75.573%0.73435%0.347SS*.Hα-helixtrans-77.3-34.2177.2-166.40000112.3L164 L165L164-S167 PolarHBondContact O-N 3.24Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-S167 VanDerWaalsContact O-N 3.12Å
168L90.3Very high89.7Confident33 Ų3378.1 Ų78.117%0.17336%0.358CS..Hα-helixtrans-80.2-61.6-176.7-59.7178.2000111.6L132 L135 K136 K145 L165 G170L132-L168 HydrophobicContact CD1-CD1 3.39Å; L132-L168 HydrophobicContact CG-CD1 4.46Å; L135-L168 HydrophobicContact CD2-CB 4.16Å; L135-L168 HydrophobicContact CD2-CD1 4.03Å; L135-L168 HydrophobicContact CG-CB 4.34Å; L135-L168 HydrophobicContact CG-CD1 4.48Å; K136-L168 HydrophobicContact CG-CD1 4.22Å; K136-L168 HydrophobicContact CG-CD2 3.77Å; K145-L168 WeakPolarHBondContact CE-O 3.44Å; K145-L168 PolarHBondContact NZ-O 2.92Å; L165-L168 PolarHBondContact O-N 2.85Å; L168-G170 PolarHBondContact O-N 2.74Å
169I87.6Confident89.5Confident2 Ų279 Ų791%0.0136%0.363CS..Hα-helixtrans-70.9-21.7-176.478.6-171.4000112.2L135 L165 F173 Y174 P180L135-I169 HydrophobicContact CD1-CG2 4.45Å; L135-I169 HydrophobicContact CD2-CG2 4.23Å; L165-I169 HydrophobicContact CB-CD1 4.41Å; L165-I169 HydrophobicContact CD2-CG2 4.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.36Å; I169-F173 HydrophobicContact CB-CD1 4.28Å; I169-F173 HydrophobicContact CB-CD2 3.68Å; I169-F173 HydrophobicContact CB-CE1 4.46Å; I169-F173 HydrophobicContact CB-CE2 3.91Å; I169-F173 HydrophobicContact CB-CG 3.9Å; I169-F173 HydrophobicContact CB-CZ 4.31Å; I169-F173 HydrophobicContact CD1-CB 3.67Å; I169-F173 HydrophobicContact CD1-CD1 3.87Å; I169-F173 HydrophobicContact CD1-CD2 4.39Å; I169-F173 HydrophobicContact CD1-CG 3.72Å; I169-F173 HydrophobicContact CG1-CB 3.9Å; I169-F173 HydrophobicContact CG1-CD1 4.35Å; I169-F173 HydrophobicContact CG1-CD2 4Å; I169-F173 HydrophobicContact CG1-CG 3.83Å; I169-F173 WeakPolarHBondContact O-CD2 3.28Å; I169-Y174 HydrophobicContact CD1-CE2 3.94Å; I169-Y174 HydrophobicContact CG1-CE2 4.08Å; I169-P180 HydrophobicContact CD1-CG 3.91Å
170G87.3Confident89.5Confident18 Ų1876.9 Ų76.919%0.18635%0.345CS..  trans66.7-172.2176.100000114.5P166 L168 H172 Y174P166-G170 PolarHBondContact O-N 2.81Å; L168-G170 PolarHBondContact O-N 2.74Å; G170-H172 PolarHBondContact O-N 2.92Å; G170-H172 VanDerWaalsContact O-N 3.13Å; G170-Y174 WeakPolarHBondContact O-CD2 3.38Å
171R89.9Confident89.6Confident180 Ų18073 Ų7368%0.67933%0.331SS*.Hα-helixtrans-60.6-24.8-171.564.9-178.6175.7-179-0.6115.3F173 Y174 Q175R171-F173 PolarHBondContact O-N 3.18Å; R171-Y174 PolarHBondContact O-N 2.88Å; R171-Y174 VanDerWaalsContact O-N 3.16Å; R171-Q175 PolarHBondContact O-N 3.29Å
172H89.5Confident89.6Confident23 Ų2373.2 Ų73.211%0.10633%0.333CS..Hα-helixtrans-67.4-39.8-167.4-62.6-80000112.8Y142 L146 L149 G170 Y174 Q175 R176Y142-H172 AromaticContact CE2-CE1 3.42Å; Y142-H172 VanDerWaalsContact CE2-CE1 3.42Å; Y142-H172 WeakPolarHBondContact CE2-CE1 3.4Å; Y142-H172 AromaticContact CE2-NE2 3.4Å; Y142-H172 WeakPolarHBondContact CE2-NE2 3.43Å; Y142-H172 AromaticContact CZ-CE1 3.89Å; L146-H172 HydrophobicContact CD2-CB 4.07Å; L149-H172 HydrophobicContact CD2-CB 3.81Å; G170-H172 PolarHBondContact O-N 2.92Å; G170-H172 VanDerWaalsContact O-N 3.13Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 2.98Å; H172-Q175 PolarHBondContact O-N 3.12Å; H172-R176 WeakPolarHBondContact O-CB 3.43Å; H172-R176 PolarHBondContact O-N 3.5Å
173F90.6Very high89.7Confident1 Ų168.4 Ų68.40%0.00432%0.315CS..Hα-helixtrans-62.6-36174.6-76.8-114.3000112.2L148 L149 F155 I169 R171 K177 K178 V179 P180L148-F173 HydrophobicContact CD2-CZ 3.97Å; L148-F173 HydrophobicContact CG-CZ 4.11Å; L149-F173 HydrophobicContact CB-CD2 4.47Å; L149-F173 HydrophobicContact CB-CE2 3.96Å; L149-F173 HydrophobicContact CB-CZ 4.11Å; L149-F173 HydrophobicContact CD1-CD1 3.95Å; L149-F173 HydrophobicContact CD1-CD2 4.16Å; L149-F173 HydrophobicContact CD1-CE1 4.12Å; L149-F173 HydrophobicContact CD1-CE2 4.3Å; L149-F173 HydrophobicContact CD1-CG 3.96Å; L149-F173 HydrophobicContact CD1-CZ 4.28Å; L149-F173 HydrophobicContact CD2-CD2 4.19Å; L149-F173 HydrophobicContact CD2-CE2 4.47Å; L149-F173 HydrophobicContact CG-CE2 4.49Å; F155-F173 HydrophobicContact CD1-CE1 4.05Å; F155-F173 HydrophobicContact CD2-CD1 4.16Å; F155-F173 AromaticContact CD2-CE1 3.87Å; F155-F173 HydrophobicContact CD2-CE1 3.87Å; F155-F173 AromaticContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CE1 3.74Å; F155-F173 HydrophobicContact CE1-CZ 4.27Å; F155-F173 HydrophobicContact CE2-CD1 4.09Å; F155-F173 AromaticContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CE1 3.56Å; F155-F173 HydrophobicContact CE2-CZ 4.42Å; F155-F173 HydrophobicContact CG-CE1 4.11Å; F155-F173 HydrophobicContact CZ-CD1 4.43Å; F155-F173 AromaticContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CE1 3.48Å; F155-F173 VanDerWaalsContact CZ-CE1 3.48Å; F155-F173 HydrophobicContact CZ-CZ 4Å; I169-F173 HydrophobicContact CB-CD1 4.28Å; I169-F173 HydrophobicContact CB-CD2 3.68Å; I169-F173 HydrophobicContact CB-CE1 4.46Å; I169-F173 HydrophobicContact CB-CE2 3.91Å; I169-F173 HydrophobicContact CB-CG 3.9Å; I169-F173 HydrophobicContact CB-CZ 4.31Å; I169-F173 HydrophobicContact CD1-CB 3.67Å; I169-F173 HydrophobicContact CD1-CD1 3.87Å; I169-F173 HydrophobicContact CD1-CD2 4.39Å; I169-F173 HydrophobicContact CD1-CG 3.72Å; I169-F173 HydrophobicContact CG1-CB 3.9Å; I169-F173 HydrophobicContact CG1-CD1 4.35Å; I169-F173 HydrophobicContact CG1-CD2 4Å; I169-F173 HydrophobicContact CG1-CG 3.83Å; I169-F173 WeakPolarHBondContact O-CD2 3.28Å; R171-F173 PolarHBondContact O-N 3.18Å; F173-K177 CarbonylContact O-C 3.54Å; F173-K177 PolarHBondContact O-N 3.45Å; F173-K177 VanDerWaalsContact O-N 3.1Å; F173-K178 WeakPolarHBondContact CD1-O 3.43Å; F173-K178 PolarHBondContact O-N 3.37Å; F173-V179 WeakPolarHBondContact O-CG2 3.44Å; F173-P180 HydrophobicContact CD1-CG 4.47Å
174Y87.5Confident89.7Confident89 Ų8960.8 Ų60.835%0.34929%0.292SS..Hα-helixtrans-75-40.9177.3-64.2-95.8000111.7P166 I169 G170 R171 H172 K177 V179P166-Y174 HydrophobicContact CB-CE2 4.43Å; P166-Y174 WeakPolarHBondContact CG-OH 3.43Å; I169-Y174 HydrophobicContact CD1-CE2 3.94Å; I169-Y174 HydrophobicContact CG1-CE2 4.08Å; G170-Y174 WeakPolarHBondContact O-CD2 3.38Å; R171-Y174 PolarHBondContact O-N 2.88Å; R171-Y174 VanDerWaalsContact O-N 3.16Å; H172-Y174 VanDerWaalsContact C-N 3.29Å; H172-Y174 PolarHBondContact O-N 2.98Å; Y174-K177 PolarHBondContact O-N 3.46Å; Y174-K177 VanDerWaalsContact O-N 3.13Å; Y174-V179 HydrophobicContact CD1-CG1 4.03Å; Y174-V179 HydrophobicContact CD1-CG2 3.6Å; Y174-V179 HydrophobicContact CE1-CB 4.41Å; Y174-V179 HydrophobicContact CE1-CG1 3.47Å; Y174-V179 VanDerWaalsContact CE1-CG1 3.47Å; Y174-V179 HydrophobicContact CE1-CG2 3.96Å; Y174-V179 HydrophobicContact CE2-CG1 4.42Å; Y174-V179 HydrophobicContact CG-CG2 3.91Å
175Q88Confident89.5Confident146 Ų14657 Ų5768%0.68227%0.271SS*.Hα-helixtrans-65.2-39.4176.7-169.11755.200112.2R171 H172 K177R171-Q175 PolarHBondContact O-N 3.29Å; H172-Q175 PolarHBondContact O-N 3.12Å; Q175-K177 VanDerWaalsContact C-N 3.3Å
176R87.5Confident89.3Confident194 Ų19462.5 Ų62.573%0.73230%0.301SS*.THydrogen-bonded Turntrans-83.22.4172.7-69.1-69-170.7151.12.4113.9L149 H172 K178L149-R176 HydrophobicContact CD1-CB 4.38Å; L149-R176 HydrophobicContact CD2-CB 4.16Å; L149-R176 HydrophobicContact CD2-CG 3.9Å; L149-R176 HydrophobicContact CG-CG 4.5Å; H172-R176 WeakPolarHBondContact O-CB 3.43Å; H172-R176 PolarHBondContact O-N 3.5Å; R176-K178 PolarHBondContact O-N 3.02Å
177K86.4Confident89.1Confident172 Ų17261.1 Ų61.175%0.74829%0.292SS*.SBendtrans59.8-6.9-178.1-54.3173.2-172.6164.60116.9F173 Y174 Q175 V179F173-K177 CarbonylContact O-C 3.54Å; F173-K177 PolarHBondContact O-N 3.45Å; F173-K177 VanDerWaalsContact O-N 3.1Å; Y174-K177 PolarHBondContact O-N 3.46Å; Y174-K177 VanDerWaalsContact O-N 3.13Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; K177-V179 PolarHBondContact O-N 3.45Å
178K88.1Confident88.8Confident55 Ų5565.4 Ų65.424%0.23930%0.298CS..  trans-67.455.4171-68.9-173.7171.1-176.70112.2L149 F152 D153 F155 F173 R176L149-K178 HydrophobicContact CD1-CB 3.84Å; L149-K178 HydrophobicContact CD1-CD 3.92Å; L149-K178 HydrophobicContact CD1-CG 4.38Å; L149-K178 PolarHBondContact O-NZ 3.25Å; F152-K178 PolarHBondContact O-NZ 2.9Å; D153-K178 VanDerWaalsContact OD1-CE 3.25Å; D153-K178 WeakPolarHBondContact OD1-CE 3.49Å; D153-K178 IonicContact OD1-NZ 3.33Å; D153-K178 PolarHBondContact OD1-NZ 3.39Å; F155-K178 HydrophobicContact CD2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CB 4.16Å; F155-K178 HydrophobicContact CE2-CD 4.26Å; F173-K178 WeakPolarHBondContact CD1-O 3.43Å; F173-K178 PolarHBondContact O-N 3.37Å; R176-K178 PolarHBondContact O-N 3.02Å
179V89Confident88.7Confident18 Ų1869.1 Ų69.111%0.10932%0.317CS..PPolyproline II helixtrans-87.7126.9-175.4-173.90000111.1F173 Y174 K177F173-V179 WeakPolarHBondContact O-CG2 3.44Å; Y174-V179 HydrophobicContact CD1-CG1 4.03Å; Y174-V179 HydrophobicContact CD1-CG2 3.6Å; Y174-V179 HydrophobicContact CE1-CB 4.41Å; Y174-V179 HydrophobicContact CE1-CG1 3.47Å; Y174-V179 VanDerWaalsContact CE1-CG1 3.47Å; Y174-V179 HydrophobicContact CE1-CG2 3.96Å; Y174-V179 HydrophobicContact CE2-CG1 4.42Å; Y174-V179 HydrophobicContact CG-CG2 3.91Å; K177-V179 PolarHBondContact O-N 3.45Å
180P92.3Very high88.8Confident3 Ų369 Ų692%0.01932%0.317CS..PPolyproline II helixtrans-57.2136.7-170.1-26.934.8000115.3R79 F98 F155 T157 L165 I169 F173R79-P180 PolarHBondContact NH1-O 2.95Å; F98-P180 HydrophobicContact CD2-CB 4.14Å; F98-P180 HydrophobicContact CD2-CG 4Å; F98-P180 HydrophobicContact CE2-CB 4.29Å; F98-P180 HydrophobicContact CE2-CG 3.7Å; F155-P180 HydrophobicContact CB-CB 3.79Å; F155-P180 HydrophobicContact CB-CG 3.68Å; F155-P180 HydrophobicContact CG-CG 4.33Å; F155-P180 CarbonylContact O-C 3.56Å; F155-P180 VanDerWaalsContact O-CA 3.28Å; F155-P180 WeakPolarHBondContact O-CA 3.43Å; T157-P180 HydrophobicContact CG2-CB 3.9Å; L165-P180 HydrophobicContact CD1-CB 3.84Å; L165-P180 HydrophobicContact CD1-CG 4.06Å; I169-P180 HydrophobicContact CD1-CG 3.91Å; F173-P180 HydrophobicContact CD1-CG 4.47Å
181V92.5Very high88.9Confident4 Ų470.2 Ų70.22%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-94.7123.3-178.3-179.80000109.8F154 F155 L156 T157 V202F154-V181 HydrophobicContact CE2-CB 4.14Å; F154-V181 HydrophobicContact CE2-CG2 3.48Å; F154-V181 VanDerWaalsContact CE2-CG2 3.48Å; F154-V181 HydrophobicContact CZ-CB 3.9Å; F154-V181 HydrophobicContact CZ-CG2 3.68Å; F155-V181 PolarHBondContact O-N 3.34Å; L156-V181 CarbonylContact C-O 3.48Å; L156-V181 WeakPolarHBondContact CA-O 3.39Å; L156-V181 HydrophobicContact CD2-CB 4.36Å; T157-V181 PolarHBondContact N-O 3.18Å; V181-V202 HydrophobicContact CB-CG2 4.42Å; V181-V202 HydrophobicContact CG1-CG2 3.83Å; V181-V202 HydrophobicContact CG2-CB 4.43Å; V181-V202 HydrophobicContact CG2-CG2 3.65Å
182S91.8Very high88.9Confident10 Ų1069.4 Ų69.47%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-68.2144.5179.244.40000112.2R81 T157 R162R81-S182 PolarHBondContact NE-O 3.48Å; R81-S182 PolarHBondContact NH2-O 3.09Å; T157-S182 CarbonylContact O-C 3.58Å; T157-S182 VanDerWaalsContact O-CA 3.22Å; T157-S182 WeakPolarHBondContact O-CA 3.45Å; R162-S182 WeakPolarHBondContact CD-OG 3.34Å; R162-S182 PolarHBondContact NH1-OG 2.74Å; R162-S182 VanDerWaalsContact NH1-OG 3.07Å
183V92.2Very high89Confident0 Ų070.2 Ų70.20%032%0.323CS..EExtended strand (participates in β ladder)trans-133.5142.4177.4165.40000107.9L156 T157 A159 L185 L190 E193 I194 C197L156-V183 HydrophobicContact CB-CG2 4.42Å; L156-V183 HydrophobicContact CD1-CG2 4.45Å; L156-V183 HydrophobicContact CD2-CG2 3.84Å; L156-V183 HydrophobicContact CG-CG2 4.47Å; T157-V183 PolarHBondContact O-N 2.89Å; A159-V183 PolarHBondContact N-O 3.35Å; V183-L185 HydrophobicContact CG1-CD2 3.8Å; V183-L185 PolarHBondContact O-N 2.91Å; V183-L190 HydrophobicContact CG1-CD1 4.33Å; V183-E193 WeakPolarHBondContact CA-OE1 3.36Å; V183-E193 HydrophobicContact CG1-CG 3.89Å; V183-I194 HydrophobicContact CG1-CD1 4.29Å; V183-I194 HydrophobicContact CG1-CG1 3.69Å; V183-I194 HydrophobicContact CG2-CG1 4.44Å; V183-C197 HydrophobicContact CG2-CB 4.23Å
184N90.8Very high89Confident68 Ų6870.1 Ų70.136%0.36432%0.323SS..  trans-87.492.7172.5-172.89.8000112.1L186 S187 E193N184-L186 PolarHBondContact O-N 3.49Å; N184-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact OD1-N 3.42Å; N184-S187 WeakPolarHBondContact O-CB 3.44Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.14Å; N184-S187 PolarHBondContact O-OG 2.87Å; N184-E193 PolarHBondContact N-OE1 3.42Å
185L87.3Confident89.1Confident11 Ų1170.1 Ų70.16%0.05833%0.329CS..THydrogen-bonded Turntrans-65.7-11.8178.4-60.2-176000114.3L97 T99 Y114 D158 V183 L190L97-L185 HydrophobicContact CD1-CD2 4.38Å; L97-L185 HydrophobicContact CD2-CD2 4.28Å; T99-L185 HydrophobicContact CG2-CD1 4.05Å; Y114-L185 HydrophobicContact CD1-CD1 4.28Å; Y114-L185 HydrophobicContact CE1-CD1 3.81Å; D158-L185 HydrophobicContact CB-CD1 3.74Å; D158-L185 HydrophobicContact CB-CG 4.23Å; V183-L185 HydrophobicContact CG1-CD2 3.8Å; V183-L185 PolarHBondContact O-N 2.91Å; L185-L190 HydrophobicContact CD2-CD1 3.95Å
186L86.8Confident89.1Confident120 Ų12066 Ų6663%0.62831%0.311SS*.THydrogen-bonded Turntrans-96.27.9176.8-57.3177.1000112.8N184N184-L186 PolarHBondContact O-N 3.49Å; N184-L186 VanDerWaalsContact O-N 3.15Å; N184-L186 PolarHBondContact OD1-N 3.42Å
187S84.8Confident89.2Confident31 Ų3157 Ų5722%0.21728%0.278CS..  trans-81.6140.6179.863.30000112N184 N189N184-S187 WeakPolarHBondContact O-CB 3.44Å; N184-S187 PolarHBondContact O-N 2.87Å; N184-S187 VanDerWaalsContact O-N 3.14Å; N184-S187 PolarHBondContact O-OG 2.87Å; S187-N189 PolarHBondContact O-N 3.27Å
188K84.1Confident89.4Confident196 Ų19649.5 Ų49.585%0.85225%0.247SC*.THydrogen-bonded Turntrans-57.6-34.7177.4-64.4-174.4177.4-174.30112.6
189N88.4Confident89.3Confident110 Ų11047.7 Ų47.759%0.58824%0.244SC*.THydrogen-bonded Turntrans-105.154.4-175.3-61.4-16.2000111.1S187 S191 R192 E193S187-N189 PolarHBondContact O-N 3.27Å; N189-S191 VanDerWaalsContact C-N 3.3Å; N189-S191 PolarHBondContact O-N 2.92Å; N189-R192 HydrophobicContact CB-CB 4.36Å; N189-R192 PolarHBondContact O-N 3.33Å; N189-R192 VanDerWaalsContact O-N 3.1Å; N189-E193 PolarHBondContact O-N 3.38Å
190L89.3Confident89.3Confident1 Ų147.2 Ų47.21%0.00524%0.242CC..Hα-helixtrans-57.4-39-173.1-178.758.6000113.5L117 L118 I123 V183 L185 R192 E193 I194L117-L190 HydrophobicContact CD2-CD2 3.95Å; L117-L190 HydrophobicContact CG-CD2 3.98Å; L118-L190 HydrophobicContact CD2-CD2 4.38Å; I123-L190 HydrophobicContact CD1-CG 4.05Å; V183-L190 HydrophobicContact CG1-CD1 4.33Å; L185-L190 HydrophobicContact CD2-CD1 3.95Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 3.4Å; L190-E193 PolarHBondContact O-N 2.86Å; L190-I194 HydrophobicContact CD1-CD1 3.73Å; L190-I194 HydrophobicContact CD1-CG1 4.15Å; L190-I194 HydrophobicContact CG-CD1 3.97Å; L190-I194 WeakPolarHBondContact O-CB 3.29Å; L190-I194 PolarHBondContact O-N 2.76Å
191S89.9Confident89.2Confident42 Ų4247.5 Ų47.529%0.29424%0.244SC..Hα-helixtrans-58.4-43.4175.848.10000112.4N189 N195N189-S191 VanDerWaalsContact C-N 3.3Å; N189-S191 PolarHBondContact O-N 2.92Å; S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 2.92Å; S191-N195 PolarHBondContact O-OD1 2.65Å
192R90.3Very high89.1Confident163 Ų16348.8 Ų48.862%0.61525%0.252SS*.Hα-helixtrans-67.2-51.1176.8-179177.3169.5174.83.1112.2N189 L190 I194 N195 D196N189-R192 HydrophobicContact CB-CB 4.36Å; N189-R192 PolarHBondContact O-N 3.33Å; N189-R192 VanDerWaalsContact O-N 3.1Å; L190-R192 VanDerWaalsContact C-N 3.34Å; L190-R192 PolarHBondContact O-N 3.4Å; R192-I194 PolarHBondContact O-N 2.91Å; R192-N195 PolarHBondContact O-N 3.13Å; R192-D196 WeakPolarHBondContact CG-OD2 3.47Å; R192-D196 IonicContact CZ-OD2 3.04Å; R192-D196 IonicContact NE-OD2 2.66Å; R192-D196 PolarHBondContact NE-OD2 2.91Å; R192-D196 IonicContact NH2-OD2 2.73Å; R192-D196 WeakPolarHBondContact O-CB 3.31Å; R192-D196 VanDerWaalsContact O-CG 3.27Å; R192-D196 PolarHBondContact O-N 2.92Å
193E90.6Very high89Confident40 Ų4048.4 Ų48.419%0.18725%0.249CC..Hα-helixtrans-60.2-33.1-179.6165.284.3166.100111.4R81 V183 N184 N189 L190 C197R81-E193 IonicContact CZ-OE1 2.87Å; R81-E193 IonicContact CZ-OE2 3.68Å; R81-E193 VanDerWaalsContact NH1-CD 3.34Å; R81-E193 IonicContact NH1-OE1 3.17Å; R81-E193 PolarHBondContact NH1-OE1 2.81Å; R81-E193 VanDerWaalsContact NH1-OE1 3.15Å; R81-E193 IonicContact NH1-OE2 2.84Å; R81-E193 PolarHBondContact NH1-OE2 3.1Å; R81-E193 IonicContact NH2-OE1 2.7Å; R81-E193 PolarHBondContact NH2-OE1 3.13Å; R81-E193 IonicContact NH2-OE2 3.98Å; V183-E193 WeakPolarHBondContact CA-OE1 3.36Å; V183-E193 HydrophobicContact CG1-CG 3.89Å; N184-E193 PolarHBondContact N-OE1 3.42Å; N189-E193 PolarHBondContact O-N 3.38Å; L190-E193 PolarHBondContact O-N 2.86Å; E193-C197 WeakPolarHBondContact O-CB 3.37Å; E193-C197 PolarHBondContact O-N 3.5Å; E193-C197 PolarHBondContact O-SG 2.81Å
194I90.8Very high88.8Confident0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-72.5-50174-72.7174.6000111.4L118 I123 I126 L156 V183 L190 R192 D196 C197 V198L118-I194 HydrophobicContact CD2-CD1 3.73Å; I123-I194 HydrophobicContact CD1-CB 4.4Å; I123-I194 HydrophobicContact CD1-CD1 3.8Å; I123-I194 HydrophobicContact CG2-CG2 4.03Å; I126-I194 HydrophobicContact CD1-CD1 4.12Å; I126-I194 HydrophobicContact CD1-CG2 4.31Å; L156-I194 HydrophobicContact CD1-CG2 4.21Å; V183-I194 HydrophobicContact CG1-CD1 4.29Å; V183-I194 HydrophobicContact CG1-CG1 3.69Å; V183-I194 HydrophobicContact CG2-CG1 4.44Å; L190-I194 HydrophobicContact CD1-CD1 3.73Å; L190-I194 HydrophobicContact CD1-CG1 4.15Å; L190-I194 HydrophobicContact CG-CD1 3.97Å; L190-I194 WeakPolarHBondContact O-CB 3.29Å; L190-I194 PolarHBondContact O-N 2.76Å; R192-I194 PolarHBondContact O-N 2.91Å; I194-D196 PolarHBondContact O-N 3.16Å; I194-C197 CarbonylContact O-C 3.59Å; I194-C197 WeakPolarHBondContact O-CA 3.28Å; I194-C197 WeakPolarHBondContact O-CB 3.45Å; I194-C197 PolarHBondContact O-N 3.45Å; I194-V198 HydrophobicContact CG2-CG2 4.1Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.75Å
195N89.6Confident88.7Confident89 Ų8948 Ų4848%0.47625%0.247SC..Hα-helixtrans-61.2-43178.7-68.8-2.9000111.9S191 R192 C197 V198 G199S191-N195 WeakPolarHBondContact O-CB 3.47Å; S191-N195 PolarHBondContact O-N 2.92Å; S191-N195 PolarHBondContact O-OD1 2.65Å; R192-N195 PolarHBondContact O-N 3.13Å; N195-C197 PolarHBondContact O-N 2.9Å; N195-V198 PolarHBondContact O-N 2.9Å; N195-V198 VanDerWaalsContact O-N 3.09Å; N195-G199 PolarHBondContact O-N 3.22Å
196D89Confident88.7Confident58 Ų5850 Ų5031%0.3126%0.262SS..Hα-helixtrans-60-26.4174.1-74.4-7.3000111.7T83 R192 I194 G200T83-D196 HydrophobicContact CG2-CB 3.88Å; R192-D196 WeakPolarHBondContact CG-OD2 3.47Å; R192-D196 IonicContact CZ-OD2 3.04Å; R192-D196 IonicContact NE-OD2 2.66Å; R192-D196 PolarHBondContact NE-OD2 2.91Å; R192-D196 IonicContact NH2-OD2 2.73Å; R192-D196 WeakPolarHBondContact O-CB 3.31Å; R192-D196 VanDerWaalsContact O-CG 3.27Å; R192-D196 PolarHBondContact O-N 2.92Å; I194-D196 PolarHBondContact O-N 3.16Å; D196-G200 WeakPolarHBondContact O-CA 3.12Å; D196-G200 PolarHBondContact O-N 3.32Å
197C89.8Confident88.6Confident5 Ų551.5 Ų51.53%0.03426%0.263CS..Hα-helixtrans-90.7-23.1174.4-70.10000114.6R81 F154 L156 V183 E193 I194 N195R81-C197 VanDerWaalsContact CD-SG 3.52Å; R81-C197 VanDerWaalsContact CZ-SG 3.57Å; F154-C197 WeakPolarHBondContact CE1-O 3.4Å; F154-C197 WeakPolarHBondContact CZ-O 3.42Å; L156-C197 HydrophobicContact CD2-CB 4.27Å; V183-C197 HydrophobicContact CG2-CB 4.23Å; E193-C197 WeakPolarHBondContact O-CB 3.37Å; E193-C197 PolarHBondContact O-N 3.5Å; E193-C197 PolarHBondContact O-SG 2.81Å; I194-C197 CarbonylContact O-C 3.59Å; I194-C197 WeakPolarHBondContact O-CA 3.28Å; I194-C197 WeakPolarHBondContact O-CB 3.45Å; I194-C197 PolarHBondContact O-N 3.45Å; N195-C197 PolarHBondContact O-N 2.9Å
198V89.2Confident88.5Confident16 Ų1654.8 Ų54.810%0.09729%0.286CS..Hα-helixtrans-87.5-44.4179.8171.70000111.3R89 I95 T125 F154 L156 I194 N195R89-V198 WeakPolarHBondContact CD-O 3.45Å; R89-V198 PolarHBondContact NH1-O 3.1Å; I95-V198 HydrophobicContact CD1-CG1 3.9Å; I95-V198 HydrophobicContact CD1-CG2 3.93Å; T125-V198 HydrophobicContact CG2-CG1 4.49Å; F154-V198 HydrophobicContact CE1-CG2 4.27Å; L156-V198 HydrophobicContact CD1-CG2 4.32Å; I194-V198 HydrophobicContact CG2-CG2 4.1Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 2.75Å; N195-V198 PolarHBondContact O-N 2.9Å; N195-V198 VanDerWaalsContact O-N 3.09Å
199G87Confident88.6Confident17 Ų1746.6 Ų46.618%0.17526%0.257CS..THydrogen-bonded Turntrans-75.4-28.6169.700000112.8N195N195-G199 PolarHBondContact O-N 3.22Å
200G88.1Confident88.5Confident7 Ų743.5 Ų43.57%0.07224%0.244CC..SBendtrans-76.2170.4-178.600000115.9L82 D196L82-G200 CarbonylContact O-C 3.44Å; L82-G200 WeakPolarHBondContact O-CA 3.5Å; D196-G200 WeakPolarHBondContact O-CA 3.12Å; D196-G200 PolarHBondContact O-N 3.32Å
201T90.8Very high88.5Confident9 Ų946.5 Ų46.56%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-115.8163-178.456.20000112.6R81 L82 L84 I88 I214 R215R81-T201 WeakPolarHBondContact CA-O 3.5Å; L82-T201 PolarHBondContact N-O 3.19Å; L82-T201 PolarHBondContact O-N 2.95Å; L82-T201 PolarHBondContact O-OG1 3.36Å; L84-T201 HydrophobicContact CD1-CG2 3.49Å; L84-T201 VanDerWaalsContact CD1-CG2 3.49Å; L84-T201 HydrophobicContact CG-CG2 4.14Å; I88-T201 HydrophobicContact CD1-CG2 3.28Å; T201-I214 HydrophobicContact CG2-CG2 4.34Å; T201-R215 WeakPolarHBondContact CG2-O 3.19Å
202V90.4Very high88.6Confident31 Ų3145 Ų4519%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-131.1111.9178.6-179.90000110.8R79 V80 R81 V181R79-V202 HydrophobicContact CG-CG1 3.5Å; R79-V202 VanDerWaalsContact CG-CG1 3.5Å; V80-V202 WeakPolarHBondContact O-CA 3.4Å; R81-V202 HydrophobicContact CG-CG2 4.37Å; V181-V202 HydrophobicContact CB-CG2 4.42Å; V181-V202 HydrophobicContact CG1-CG2 3.83Å; V181-V202 HydrophobicContact CG2-CB 4.43Å; V181-V202 HydrophobicContact CG2-CG2 3.65Å
203L90.2Very high88.7Confident2 Ų239.6 Ų39.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-84.6122.1170167.961.2000109.3R79 V80 I205 I214 L237R79-L203 WeakPolarHBondContact CA-O 3.42Å; V80-L203 HydrophobicContact CB-CB 4.35Å; V80-L203 PolarHBondContact N-O 2.99Å; V80-L203 PolarHBondContact O-N 3.35Å; L203-I205 HydrophobicContact CD1-CG1 3.97Å; L203-I205 HydrophobicContact CD2-CD1 3.91Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CD1 4.27Å; L203-I205 HydrophobicContact CG-CG1 3.7Å; L203-I214 HydrophobicContact CB-CD1 3.92Å; L203-I214 HydrophobicContact CB-CG1 4Å; L203-I214 HydrophobicContact CD1-CD1 3.98Å; L203-I214 HydrophobicContact CD1-CG1 3.72Å; L203-I214 HydrophobicContact CD2-CD1 4.11Å; L203-I214 HydrophobicContact CG-CD1 4.2Å; L203-I214 HydrophobicContact CG-CG1 4.32Å; L203-L237 HydrophobicContact CD2-CD1 3.35Å
204N88.7Confident88.8Confident60 Ų6037.9 Ų37.932%0.32124%0.236SC..EExtended strand (participates in β ladder)trans-106105.2171.9-63.7-67.2000109.4R79 S212R79-N204 VanDerWaalsContact CZ-OD1 3.24Å; R79-N204 PolarHBondContact NE-OD1 2.82Å; R79-N204 PolarHBondContact NH2-OD1 3.43Å; N204-S212 PolarHBondContact O-OG 3.31Å
205I88.6Confident88.8Confident1 Ų140.9 Ų40.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-93.8114177.4-43.7174.3000109.1L70 P74 E77 L78 L203 L241L70-I205 HydrophobicContact CD1-CD1 4.15Å; L70-I205 HydrophobicContact CD1-CG2 3.85Å; P74-I205 HydrophobicContact CG-CB 4.26Å; P74-I205 HydrophobicContact CG-CG2 3.62Å; E77-I205 WeakPolarHBondContact CA-O 3.47Å; E77-I205 WeakPolarHBondContact CG-O 3.21Å; L78-I205 HydrophobicContact CB-CB 4.25Å; L78-I205 HydrophobicContact CB-CD1 4.21Å; L78-I205 HydrophobicContact CB-CG1 4.43Å; L78-I205 HydrophobicContact CD1-CD1 4.42Å; L78-I205 PolarHBondContact N-O 2.63Å; L78-I205 PolarHBondContact O-N 2.91Å; L203-I205 HydrophobicContact CD1-CG1 3.97Å; L203-I205 HydrophobicContact CD2-CD1 3.91Å; L203-I205 HydrophobicContact CD2-CG1 3.88Å; L203-I205 HydrophobicContact CG-CD1 4.27Å; L203-I205 HydrophobicContact CG-CG1 3.7Å; I205-L241 HydrophobicContact CD1-CD1 3.93Å; I205-L241 HydrophobicContact CD1-CG 4.29Å
206S85.7Confident89Confident52 Ų5236.6 Ų36.636%0.36423%0.225SC..  trans-71.7145.7179.1179.20000112.3I73 S208I73-S206 WeakPolarHBondContact CG2-O 3.44Å; S206-S208 PolarHBondContact O-N 3.04Å; S206-S208 VanDerWaalsContact O-N 3.15Å; S206-S208 PolarHBondContact OG-N 3.35Å
207K85.8Confident89Confident152 Ų15233.9 Ų33.966%0.66121%0.21SC*.THydrogen-bonded Turntrans-64.3-9.4169.368.1179.6-178.6-177.10114.5I73I73-K207 WeakPolarHBondContact CG2-O 3.48Å
208S82.9Confident89Confident100 Ų10035.7 Ų35.770%0.69922%0.218SC*.THydrogen-bonded Turntrans-124.71.7-168.3-164.80000114.3S206S206-S208 PolarHBondContact O-N 3.04Å; S206-S208 VanDerWaalsContact O-N 3.15Å; S206-S208 PolarHBondContact OG-N 3.35Å
209G84.9Confident88.9Confident23 Ų2336 Ų3624%0.23722%0.219CC..  trans-148.9141-177.900000111.8
210S86.3Confident88.8Confident46 Ų4638 Ų3832%0.32224%0.239SC..SBendtrans-79.4-23.317644.30000113.3V69 L70V69-S210 WeakPolarHBondContact CA-O 3.49Å; L70-S210 PolarHBondContact N-O 3.29Å; L70-S210 WeakPolarHBondContact O-CB 3.49Å
211C90.3Very high88.8Confident63 Ų6338.8 Ų38.843%0.42624%0.242SC..EExtended strand (participates in β ladder)trans-90.5137-179.9-175.20000111.1M67 V68 V69M67-C211 WeakPolarHBondContact CG-SG 3.16Å; M67-C211 VanDerWaalsContact SD-SG 3.63Å; V68-C211 CarbonylContact O-C 3.57Å; V68-C211 WeakPolarHBondContact O-CA 3.38Å; V69-C211 HydrophobicContact CG2-CB 4.48Å
212S91.8Very high88.9Confident11 Ų1144.1 Ų44.18%0.07727%0.266CS..EExtended strand (participates in β ladder)trans-146.9148.5175.8-64.30000110.1M67 V68 N204M67-S212 CarbonylContact C-O 3.54Å; M67-S212 WeakPolarHBondContact CA-O 3.35Å; V68-S212 PolarHBondContact N-O 3.15Å; V68-S212 PolarHBondContact O-N 3.2Å; N204-S212 PolarHBondContact O-OG 3.31Å
213A91.9Very high89Confident50 Ų5044.3 Ų44.341%0.41327%0.265SS..EExtended strand (participates in β ladder)trans-120.4141.8-176.900000112L66L66-A213 CarbonylContact O-C 3.53Å; L66-A213 VanDerWaalsContact O-CA 3.28Å; L66-A213 WeakPolarHBondContact O-CA 3.48Å
214I92.6Very high89.2Confident3 Ų347.9 Ų47.92%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-129.6127.5-177.8-40.5172.9000107.8F65 L66 V68 L82 T201 L203 I216 V233F65-I214 CarbonylContact C-O 3.59Å; F65-I214 WeakPolarHBondContact CA-O 3.44Å; L66-I214 HydrophobicContact CB-CB 4.43Å; L66-I214 HydrophobicContact CD2-CD1 4.49Å; L66-I214 PolarHBondContact N-O 3.38Å; L66-I214 PolarHBondContact O-N 2.68Å; V68-I214 HydrophobicContact CG2-CD1 3.87Å; V68-I214 HydrophobicContact CG2-CG1 4.46Å; L82-I214 HydrophobicContact CD1-CD1 4.32Å; T201-I214 HydrophobicContact CG2-CG2 4.34Å; L203-I214 HydrophobicContact CB-CD1 3.92Å; L203-I214 HydrophobicContact CB-CG1 4Å; L203-I214 HydrophobicContact CD1-CD1 3.98Å; L203-I214 HydrophobicContact CD1-CG1 3.72Å; L203-I214 HydrophobicContact CD2-CD1 4.11Å; L203-I214 HydrophobicContact CG-CD1 4.2Å; L203-I214 HydrophobicContact CG-CG1 4.32Å; I214-I216 PolarHBondContact O-N 3.49Å; I214-V233 HydrophobicContact CD1-CG1 3.81Å
215R91.8Very high89.4Confident63 Ų6348 Ų4824%0.23828%0.281CS..EExtended strand (participates in β ladder)trans-65.1129.5168.2-164.5-169.8-176.6-1653.6107.1N63 L64 F65 I88 E93 T201N63-R215 HydrophobicContact CB-CG 4.43Å; N63-R215 VanDerWaalsContact OD1-CZ 3.26Å; N63-R215 PolarHBondContact OD1-NE 3.28Å; N63-R215 PolarHBondContact OD1-NH2 2.85Å; L64-R215 CarbonylContact O-C 3.48Å; F65-R215 HydrophobicContact CD1-CB 4.14Å; F65-R215 HydrophobicContact CE1-CB 3.93Å; F65-R215 HydrophobicContact CE1-CG 4.29Å; I88-R215 HydrophobicContact CD1-CG 4.46Å; I88-R215 VanDerWaalsContact CD1-O 3.25Å; I88-R215 WeakPolarHBondContact CD1-O 3.42Å; I88-R215 HydrophobicContact CG2-CG 3.9Å; E93-R215 IonicContact OE1-CZ 3.8Å; E93-R215 IonicContact OE1-NH1 3.63Å; E93-R215 PolarHBondContact OE1-NH1 2.86Å; E93-R215 IonicContact OE1-NH2 2.76Å; E93-R215 PolarHBondContact OE1-NH2 2.87Å; E93-R215 IonicContact OE2-NH1 2.68Å; T201-R215 WeakPolarHBondContact CG2-O 3.19Å
216I92.4Very high89.6Confident0 Ų048.1 Ų48.10%028%0.281CS..EExtended strand (participates in β ladder)trans-114-19.9179.4-13.4174.1000113.2L64 L66 I88 I214 N229 I230 V233L64-I216 HydrophobicContact CD2-CB 4.07Å; L64-I216 HydrophobicContact CD2-CD1 3.48Å; L64-I216 VanDerWaalsContact CD2-CD1 3.48Å; L64-I216 HydrophobicContact CD2-CG1 3.74Å; L64-I216 PolarHBondContact O-N 2.97Å; L66-I216 HydrophobicContact CB-CD1 3.53Å; L66-I216 HydrophobicContact CB-CG1 3.84Å; L66-I216 HydrophobicContact CD1-CD1 4.11Å; L66-I216 HydrophobicContact CG-CD1 4.36Å; I88-I216 WeakPolarHBondContact CD1-O 3.49Å; I88-I216 WeakPolarHBondContact CG1-O 3.43Å; I214-I216 PolarHBondContact O-N 3.49Å; I216-N229 HydrophobicContact CG2-CB 3.99Å; I216-N229 PolarHBondContact O-ND2 2.78Å; I216-N229 VanDerWaalsContact O-ND2 3.14Å; I216-I230 HydrophobicContact CD1-CD1 4.04Å; I216-I230 HydrophobicContact CD1-CG1 3.54Å; I216-I230 HydrophobicContact CG2-CG1 4.04Å; I216-V233 HydrophobicContact CG2-CG2 4.03Å
217G90.8Very high90Very high0 Ų046.7 Ų46.70%027%0.269CS..EExtended strand (participates in β ladder)trans177.8-172-174.100000111.1L64 M221L64-G217 PolarHBondContact N-O 3Å; G217-M221 WeakPolarHBondContact CA-SD 3.33Å
218H89.1Confident90.4Very high43 Ų4344.3 Ų44.320%0.19926%0.26CS..EExtended strand (participates in β ladder)trans-132.6158.5173.964.6108.3000109.7S61 E62 I88 G220 M221S61-H218 WeakPolarHBondContact CB-ND1 3.5Å; S61-H218 WeakPolarHBondContact OG-CB 3.43Å; S61-H218 PolarHBondContact OG-ND1 3.5Å; E62-H218 WeakPolarHBondContact O-CA 3.45Å; I88-H218 PolarHBondContact O-CD2 3.38Å; H218-G220 PolarHBondContact ND1-N 2.89Å; H218-G220 PolarHBondContact O-N 2.78Å; H218-M221 WeakPolarHBondContact CD2-CG 3.28Å; H218-M221 WeakPolarHBondContact NE2-CG 3.36Å; H218-M221 PolarHBondContact O-N 3.12Å
219I86.7Confident91Very high23 Ų2339.5 Ų39.512%0.11823%0.227CC..THydrogen-bonded Turntrans-61.1-8.5-175.3-100.862.9000114.5L44 C47 E62 L64 T255L44-I219 HydrophobicContact CD1-CB 4.49Å; L44-I219 HydrophobicContact CD1-CG1 4.11Å; L44-I219 HydrophobicContact CD1-CG2 4.2Å; C47-I219 HydrophobicContact CB-CG1 4.03Å; E62-I219 HydrophobicContact CB-CD1 4.3Å; E62-I219 HydrophobicContact CB-CG1 4.47Å; E62-I219 WeakPolarHBondContact O-CD1 3.37Å; E62-I219 PolarHBondContact O-N 3.37Å; L64-I219 HydrophobicContact CB-CD1 4.29Å; L64-I219 HydrophobicContact CD1-CD1 4.49Å; I219-T255 HydrophobicContact CD1-CG2 3.64Å
220G84.7Confident91.4Very high59 Ų5938.4 Ų38.461%0.60822%0.216SC*.THydrogen-bonded Turntrans-90.6-5.7174.400000115.6H218H218-G220 PolarHBondContact ND1-N 2.89Å; H218-G220 PolarHBondContact O-N 2.78Å
221M89.3Confident91.7Very high24 Ų2437.9 Ų37.912%0.11821%0.21CC..SBendtrans-78.7155.5176.6-57.4-178.880.100111.6H86 S87 G217 H218 H225 I226H86-M221 HydrophobicContact CB-CE 3.78Å; S87-M221 VanDerWaalsContact O-CE 3.24Å; S87-M221 WeakPolarHBondContact O-CE 3.36Å; G217-M221 WeakPolarHBondContact CA-SD 3.33Å; H218-M221 WeakPolarHBondContact CD2-CG 3.28Å; H218-M221 WeakPolarHBondContact NE2-CG 3.36Å; H218-M221 PolarHBondContact O-N 3.12Å; M221-H225 HydrophobicContact CE-CB 4.35Å; M221-I226 HydrophobicContact CB-CD1 4Å; M221-I226 HydrophobicContact CB-CG1 3.85Å; M221-I226 HydrophobicContact SD-CG1 4.42Å
222Q91.9Very high91.9Very high120 Ų12036.1 Ų36.156%0.56120%0.201SC*.  trans-63.9147.2166.8-69.5-179.8-12.800111E224 H225 I226Q222-E224 VanDerWaalsContact C-N 3.26Å; Q222-E224 PolarHBondContact O-N 3.31Å; Q222-H225 PolarHBondContact O-N 3.18Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 2.86Å; Q222-I226 VanDerWaalsContact O-N 3.14Å
223I92.7Very high91.9Very high35 Ų3535.6 Ų35.618%0.17920%0.197CC..Hα-helixtrans-61.7-40.5-176.6-67143.3000110.2R37 V40 D41 L44 I226 I227R37-I223 HydrophobicContact CG-CG2 4.35Å; V40-I223 HydrophobicContact CG1-CB 4.5Å; V40-I223 HydrophobicContact CG1-CG1 4.37Å; V40-I223 HydrophobicContact CG1-CG2 4.03Å; D41-I223 VanDerWaalsContact OD1-CD1 3.24Å; D41-I223 WeakPolarHBondContact OD1-CD1 3.29Å; D41-I223 WeakPolarHBondContact OD1-CG2 3.41Å; L44-I223 HydrophobicContact CD2-CD1 4.06Å; L44-I223 HydrophobicContact CD2-CG1 3.9Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.19Å; I223-I227 HydrophobicContact CG2-CD1 3.77Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 VanDerWaalsContact O-CG1 3.29Å; I223-I227 WeakPolarHBondContact O-CG1 3.43Å; I223-I227 PolarHBondContact O-N 3.01Å
224E93.7Very high91.8Very high77 Ų7733.8 Ų33.836%0.3618%0.181SC..Hα-helixtrans-59.9-48.5178.8-67.862.3-142.100110.8R37 Q222 I226 I227 E228R37-E224 IonicContact CZ-OE1 2.57Å; R37-E224 IonicContact NE-OE1 3.73Å; R37-E224 IonicContact NH2-OE1 2.77Å; R37-E224 PolarHBondContact NH2-OE1 3.37Å; Q222-E224 VanDerWaalsContact C-N 3.26Å; Q222-E224 PolarHBondContact O-N 3.31Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.27Å; E224-I227 PolarHBondContact O-N 2.7Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.42Å
225H93.6Very high91.7Very high63 Ų6340.1 Ų40.129%0.29221%0.208SC..Hα-helixtrans-62.9-36.2175.7-63.8177.6000112.5H86 M221 Q222 N229H86-H225 HydrophobicContact CB-CB 4.21Å; H86-H225 AromaticContact CD2-CG 3.83Å; H86-H225 AromaticContact CE1-CD2 3.27Å; H86-H225 PolarHBondContact CE1-CD2 2.85Å; H86-H225 AromaticContact CE1-CE1 3.88Å; H86-H225 AromaticContact CE1-CG 3.57Å; H86-H225 AromaticContact CE1-ND1 3.93Å; H86-H225 AromaticContact CE1-NE2 3.5Å; H86-H225 PolarHBondContact CE1-NE2 2.92Å; H86-H225 AromaticContact CG-CG 3.77Å; H86-H225 AromaticContact ND1-CD2 3.81Å; H86-H225 AromaticContact ND1-CE1 3.93Å; H86-H225 AromaticContact ND1-CG 3.63Å; H86-H225 AromaticContact ND1-ND1 3.71Å; H86-H225 AromaticContact ND1-NE2 3.99Å; H86-H225 AromaticContact NE2-CD2 3.41Å; H86-H225 PolarHBondContact NE2-CD2 3.02Å; H86-H225 AromaticContact NE2-CG 3.71Å; M221-H225 HydrophobicContact CE-CB 4.35Å; Q222-H225 PolarHBondContact O-N 3.18Å; H225-N229 WeakPolarHBondContact O-CB 3.32Å; H225-N229 PolarHBondContact O-N 3.2Å
226I93.4Very high91.6Very high4 Ų437.7 Ų37.72%0.02120%0.203CC..Hα-helixtrans-66.4-43.2174.2-64.7162.8000110.5V40 L64 M221 Q222 I223 E224 N229 I230V40-I226 HydrophobicContact CG1-CB 4.4Å; V40-I226 HydrophobicContact CG1-CD1 4.17Å; V40-I226 HydrophobicContact CG1-CG2 4.09Å; V40-I226 HydrophobicContact CG2-CG2 3.9Å; L64-I226 HydrophobicContact CD1-CD1 4.4Å; L64-I226 HydrophobicContact CD1-CG2 4.19Å; L64-I226 HydrophobicContact CD2-CG2 4.03Å; M221-I226 HydrophobicContact CB-CD1 4Å; M221-I226 HydrophobicContact CB-CG1 3.85Å; M221-I226 HydrophobicContact SD-CG1 4.42Å; Q222-I226 WeakPolarHBondContact O-CG1 3.49Å; Q222-I226 PolarHBondContact O-N 2.86Å; Q222-I226 VanDerWaalsContact O-N 3.14Å; I223-I226 WeakPolarHBondContact O-CB 3.4Å; I223-I226 PolarHBondContact O-N 3.19Å; E224-I226 VanDerWaalsContact C-N 3.32Å; E224-I226 PolarHBondContact O-N 3.27Å; I226-N229 PolarHBondContact O-N 3.06Å; I226-I230 HydrophobicContact CG2-CD1 3.87Å; I226-I230 HydrophobicContact CG2-CG1 4.45Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 VanDerWaalsContact O-CG1 3.25Å; I226-I230 WeakPolarHBondContact O-CG1 3.45Å; I226-I230 PolarHBondContact O-N 2.88Å
227I94.1Very high91.4Very high21 Ų2137.7 Ų37.711%0.10820%0.203CC..Hα-helixtrans-61.8-44.8176.7-66.4159.2000110.5V36 R37 I223 E224 I230 V231V36-I227 HydrophobicContact CG1-CG1 4.04Å; V36-I227 HydrophobicContact CG1-CG2 4.45Å; R37-I227 HydrophobicContact CB-CD1 3.76Å; R37-I227 HydrophobicContact CG-CD1 3.94Å; I223-I227 HydrophobicContact CG2-CD1 3.77Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 VanDerWaalsContact O-CG1 3.29Å; I223-I227 WeakPolarHBondContact O-CG1 3.43Å; I223-I227 PolarHBondContact O-N 3.01Å; E224-I227 PolarHBondContact O-N 2.7Å; I227-I230 WeakPolarHBondContact O-CB 3.48Å; I227-I230 PolarHBondContact O-N 3.11Å; I227-V231 WeakPolarHBondContact O-CG2 3.46Å; I227-V231 PolarHBondContact O-N 2.93Å
228E94.1Very high91.1Very high102 Ų10239.4 Ų39.448%0.47722%0.215SC..Hα-helixtrans-63.5-43.5177.2-72.4-175.7169.700112.4P85 H86 E224 I230 V231 A232P85-E228 HydrophobicContact CG-CB 4.23Å; H86-E228 IonicContact CD2-OE2 3.78Å; H86-E228 IonicContact CE1-OE2 3.82Å; H86-E228 IonicContact NE2-OE2 3.97Å; H86-E228 PolarHBondContact NE2-OE2 3.41Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.42Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.86Å; E228-V231 PolarHBondContact O-N 3.33Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.89Å
229N94.8Very high91Very high0 Ų043.3 Ų43.30%023%0.233CC..Hα-helixtrans-60.6-41.3172.3-81.2-0.8000111.8L84 P85 H86 I216 H225 I226 A232 V233L84-N229 HydrophobicContact CD2-CB 4.32Å; P85-N229 VanDerWaalsContact CD-OD1 3.25Å; P85-N229 WeakPolarHBondContact CD-OD1 3.43Å; P85-N229 WeakPolarHBondContact CG-OD1 3.34Å; H86-N229 PolarHBondContact N-OD1 3Å; H86-N229 PolarHBondContact O-ND2 3.17Å; H86-N229 PolarHBondContact O-OD1 2.96Å; I216-N229 HydrophobicContact CG2-CB 3.99Å; I216-N229 PolarHBondContact O-ND2 2.78Å; I216-N229 VanDerWaalsContact O-ND2 3.14Å; H225-N229 WeakPolarHBondContact O-CB 3.32Å; H225-N229 PolarHBondContact O-N 3.2Å; I226-N229 PolarHBondContact O-N 3.06Å; N229-A232 PolarHBondContact O-N 3.41Å; N229-V233 WeakPolarHBondContact O-CB 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.24Å; N229-V233 PolarHBondContact O-N 2.87Å
230I93.8Very high90.9Very high0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-60.5-45.9174.4-72.7167.1000110.8L31 V36 V40 I216 I226 I227 E228 T234 V253 I263L31-I230 HydrophobicContact CD2-CG2 3.74Å; V36-I230 HydrophobicContact CG1-CB 4.29Å; V36-I230 HydrophobicContact CG1-CD1 3.53Å; V36-I230 HydrophobicContact CG1-CG1 4.49Å; V36-I230 HydrophobicContact CG1-CG2 3.98Å; V36-I230 HydrophobicContact CG2-CG2 4.25Å; V40-I230 HydrophobicContact CG2-CD1 3.98Å; I216-I230 HydrophobicContact CD1-CD1 4.04Å; I216-I230 HydrophobicContact CD1-CG1 3.54Å; I216-I230 HydrophobicContact CG2-CG1 4.04Å; I226-I230 HydrophobicContact CG2-CD1 3.87Å; I226-I230 HydrophobicContact CG2-CG1 4.45Å; I226-I230 WeakPolarHBondContact O-CB 3.3Å; I226-I230 VanDerWaalsContact O-CG1 3.25Å; I226-I230 WeakPolarHBondContact O-CG1 3.45Å; I226-I230 PolarHBondContact O-N 2.88Å; I227-I230 WeakPolarHBondContact O-CB 3.48Å; I227-I230 PolarHBondContact O-N 3.11Å; E228-I230 VanDerWaalsContact C-N 3.34Å; E228-I230 PolarHBondContact O-N 2.86Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 PolarHBondContact O-N 2.89Å; I230-T234 PolarHBondContact O-OG1 3.45Å; I230-V253 HydrophobicContact CD1-CG2 4.15Å; I230-I263 HydrophobicContact CG2-CD1 3.98Å
231V93.1Very high90.8Very high34 Ų3444.9 Ų44.921%0.20622%0.223CC..Hα-helixtrans-65.9-38.9178.1173.60000111.5I227 E228 T234 K235I227-V231 WeakPolarHBondContact O-CG2 3.46Å; I227-V231 PolarHBondContact O-N 2.93Å; E228-V231 PolarHBondContact O-N 3.33Å; V231-T234 WeakPolarHBondContact O-CB 3.21Å; V231-T234 PolarHBondContact O-N 3.05Å; V231-K235 HydrophobicContact CG1-CD 4.33Å; V231-K235 WeakPolarHBondContact O-CG 3.4Å; V231-K235 PolarHBondContact O-N 3.48Å
232A92.9Very high90Very high27 Ų2747.9 Ų47.922%0.22324%0.244CC..Hα-helixtrans-64.9-48.4176.100000112.3L84 P85 E228 N229 T234 K235 G236L84-A232 HydrophobicContact CD2-CB 4.49Å; P85-A232 HydrophobicContact CG-CB 4.33Å; E228-A232 WeakPolarHBondContact O-CB 3.47Å; E228-A232 PolarHBondContact O-N 2.89Å; N229-A232 PolarHBondContact O-N 3.41Å; A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.82Å; A232-K235 PolarHBondContact O-N 3.27Å; A232-G236 PolarHBondContact O-N 3.49Å
233V92.6Very high89.2Confident0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-54.9-45.6171.9166.50000110.5L66 L82 L84 I214 I216 N229 G236 L237L66-V233 HydrophobicContact CD2-CG1 3.57Å; L82-V233 HydrophobicContact CD1-CB 4.44Å; L82-V233 HydrophobicContact CD1-CG1 3.93Å; L82-V233 HydrophobicContact CD1-CG2 4.42Å; L84-V233 HydrophobicContact CD2-CG2 3.53Å; I214-V233 HydrophobicContact CD1-CG1 3.81Å; I216-V233 HydrophobicContact CG2-CG2 4.03Å; N229-V233 WeakPolarHBondContact O-CB 3.28Å; N229-V233 WeakPolarHBondContact O-CG2 3.24Å; N229-V233 PolarHBondContact O-N 2.87Å; V233-G236 PolarHBondContact O-N 2.83Å; V233-L237 WeakPolarHBondContact O-CB 3.41Å; V233-L237 PolarHBondContact O-N 3.4Å
234T90.6Very high88.7Confident12 Ų1249.6 Ų49.67%0.07425%0.249CC..Hα-helixtrans-62.1-45-178.4-63.30000112.2L31 I230 V231 A232 S238 W245L31-T234 HydrophobicContact CB-CG2 4.2Å; L31-T234 HydrophobicContact CD2-CG2 4.08Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 PolarHBondContact O-N 2.89Å; I230-T234 PolarHBondContact O-OG1 3.45Å; V231-T234 WeakPolarHBondContact O-CB 3.21Å; V231-T234 PolarHBondContact O-N 3.05Å; A232-T234 VanDerWaalsContact C-N 3.27Å; A232-T234 PolarHBondContact O-N 2.82Å; T234-S238 PolarHBondContact O-N 2.96Å; T234-W245 HydrophobicContact CG2-CE3 4.5Å; T234-W245 HydrophobicContact CG2-CH2 3.43Å; T234-W245 VanDerWaalsContact CG2-CH2 3.43Å; T234-W245 HydrophobicContact CG2-CZ2 4.38Å; T234-W245 HydrophobicContact CG2-CZ3 3.5Å
235K90.4Very high88.2Confident135 Ų13548 Ų4859%0.58724%0.239SC*.Hα-helixtrans-60.9-55.1173.8-73.8173.7176.5-177.70111.2V231 A232 L237 S238 E239V231-K235 HydrophobicContact CG1-CD 4.33Å; V231-K235 WeakPolarHBondContact O-CG 3.4Å; V231-K235 PolarHBondContact O-N 3.48Å; A232-K235 PolarHBondContact O-N 3.27Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 3.38Å; K235-S238 WeakPolarHBondContact O-CB 3.15Å; K235-S238 PolarHBondContact O-N 3.1Å; K235-S238 PolarHBondContact O-OG 3.04Å; K235-E239 PolarHBondContact O-N 3.21Å
236G88.8Confident87.6Confident12 Ų1252.7 Ų52.712%0.12426%0.262CS..Hα-helixtrans-63.9-30.8-179.100000113.6A232 V233 E239 K240A232-G236 PolarHBondContact O-N 3.49Å; V233-G236 PolarHBondContact O-N 2.83Å; G236-E239 PolarHBondContact O-N 3.3Å; G236-K240 WeakPolarHBondContact O-CB 3.17Å; G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 2.93Å
237L87.5Confident87.2Confident0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-60-46.1171.2-172.375.8000110.9V68 L203 V233 K235 E239 K240 L241 W245 V248 L251V68-L237 HydrophobicContact CG1-CD1 4.41Å; V68-L237 HydrophobicContact CG1-CD2 3.94Å; V68-L237 HydrophobicContact CG2-CD2 4.18Å; L203-L237 HydrophobicContact CD2-CD1 3.35Å; V233-L237 WeakPolarHBondContact O-CB 3.41Å; V233-L237 PolarHBondContact O-N 3.4Å; K235-L237 VanDerWaalsContact C-N 3.28Å; K235-L237 PolarHBondContact O-N 3.38Å; L237-E239 VanDerWaalsContact C-N 3.26Å; L237-E239 PolarHBondContact O-N 3.1Å; L237-K240 PolarHBondContact O-N 3.02Å; L237-L241 HydrophobicContact CD1-CD1 3.51Å; L237-L241 HydrophobicContact CD1-CD2 4.15Å; L237-L241 HydrophobicContact CD1-CG 4.5Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CD2 4.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 PolarHBondContact O-N 3.44Å; L237-W245 HydrophobicContact CD2-CZ3 4.39Å; L237-V248 HydrophobicContact CD2-CG2 3.71Å; L237-V248 HydrophobicContact CG-CG2 4.35Å; L237-L251 HydrophobicContact CD2-CD2 4.38Å
238S85.4Confident86.9Confident36 Ų3651.7 Ų51.725%0.25226%0.257SS..Hα-helixtrans-63.2-27179.979.10000114.3T234 K235 K244T234-S238 PolarHBondContact O-N 2.96Å; K235-S238 WeakPolarHBondContact O-CB 3.15Å; K235-S238 PolarHBondContact O-N 3.1Å; K235-S238 PolarHBondContact O-OG 3.04Å; S238-K244 WeakPolarHBondContact O-CA 3.39Å; S238-K244 WeakPolarHBondContact O-CB 3.39Å
239E86.7Confident86.6Confident125 Ų12550.2 Ų50.258%0.58425%0.248SC*.Hα-helixtrans-82.1-36.8177.3-66.8172.4-164.200113K235 G236 L237K235-E239 PolarHBondContact O-N 3.21Å; G236-E239 PolarHBondContact O-N 3.3Å; L237-E239 VanDerWaalsContact C-N 3.26Å; L237-E239 PolarHBondContact O-N 3.1Å
240K83.9Confident86.5Confident108 Ų10851.9 Ų51.947%0.4726%0.257SS..Hα-helixtrans-99.7-3.3-163.9-57.3-66.8-175.1-860113.5V80 G236 L237V80-K240 HydrophobicContact CG1-CB 3.55Å; V80-K240 HydrophobicContact CG1-CG 3.83Å; V80-K240 HydrophobicContact CG2-CB 4.2Å; G236-K240 WeakPolarHBondContact O-CB 3.17Å; G236-K240 WeakPolarHBondContact O-CG 3.4Å; G236-K240 PolarHBondContact O-N 2.93Å; L237-K240 PolarHBondContact O-N 3.02Å
241L83.3Confident86.4Confident8 Ų851.9 Ų51.94%0.04226%0.257CS..SBendtrans-91.8149.6175.8-95.764.7000112.9L70 I205 L237 E243 K244 V248L70-L241 HydrophobicContact CD1-CD2 3.96Å; L70-L241 HydrophobicContact CD2-CD2 3.47Å; L70-L241 VanDerWaalsContact CD2-CD2 3.47Å; L70-L241 HydrophobicContact CG-CD2 4.38Å; I205-L241 HydrophobicContact CD1-CD1 3.93Å; I205-L241 HydrophobicContact CD1-CG 4.29Å; L237-L241 HydrophobicContact CD1-CD1 3.51Å; L237-L241 HydrophobicContact CD1-CD2 4.15Å; L237-L241 HydrophobicContact CD1-CG 4.5Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CD2 4.26Å; L237-L241 WeakPolarHBondContact O-CD1 3.16Å; L237-L241 PolarHBondContact O-N 3.44Å; L241-E243 VanDerWaalsContact C-N 3.25Å; L241-E243 PolarHBondContact O-N 3.31Å; L241-K244 PolarHBondContact O-N 2.89Å; L241-K244 VanDerWaalsContact O-N 3.1Å; L241-V248 HydrophobicContact CD2-CG2 4.39Å
242P72.5Confident86.5Confident86 Ų8652.2 Ų52.256%0.55826%0.256SS*.THydrogen-bonded Turntrans-67.6-21.9-170.328-36.2000114.3
243E74.5Confident86.6Confident42 Ų4251 Ų5120%0.19625%0.246CC..THydrogen-bonded Turntrans-127.138.5174.5-44.5-177.9146.600108.7K72 L241 W245 E246 S247 M279K72-E243 WeakPolarHBondContact CD-OE1 3.35Å; K72-E243 WeakPolarHBondContact CD-OE2 3.42Å; K72-E243 IonicContact NZ-OE1 2.62Å; K72-E243 PolarHBondContact NZ-OE1 2.95Å; K72-E243 IonicContact NZ-OE2 2.65Å; L241-E243 VanDerWaalsContact C-N 3.25Å; L241-E243 PolarHBondContact O-N 3.31Å; E243-W245 PolarHBondContact O-N 2.87Å; E243-E246 PolarHBondContact O-N 2.8Å; E243-S247 VanDerWaalsContact C-OG 3.22Å; E243-S247 WeakPolarHBondContact CA-OG 3.47Å; E243-S247 VanDerWaalsContact CB-OG 3.27Å; E243-S247 WeakPolarHBondContact CB-OG 3.23Å; E243-S247 PolarHBondContact N-OG 3.18Å; E243-S247 PolarHBondContact O-N 3.15Å; E243-S247 VanDerWaalsContact O-N 3.13Å; E243-S247 PolarHBondContact O-OG 3.07Å; E243-M279 WeakPolarHBondContact OE1-CE 3.47Å
244K83.8Confident86.6Confident149 Ų14953.7 Ų53.765%0.64826%0.258SS*.G310 helixtrans44.6-132.2177.8-59.8-174.5-179.9-178.10113.3S238 L241 S247S238-K244 WeakPolarHBondContact O-CA 3.39Å; S238-K244 WeakPolarHBondContact O-CB 3.39Å; L241-K244 PolarHBondContact O-N 2.89Å; L241-K244 VanDerWaalsContact O-N 3.1Å; K244-S247 WeakPolarHBondContact O-CB 3.47Å; K244-S247 PolarHBondContact O-OG 2.72Å
245W83Confident86.6Confident43 Ų4353.3 Ų53.316%0.16326%0.255CS..G310 helixtrans-68.4-33.2178.7-170.5-121.9000113.4K29 T234 L237 E243 S247 V248 L251 F264K29-W245 PolarHBondContact O-NE1 3.29Å; T234-W245 HydrophobicContact CG2-CE3 4.5Å; T234-W245 HydrophobicContact CG2-CH2 3.43Å; T234-W245 VanDerWaalsContact CG2-CH2 3.43Å; T234-W245 HydrophobicContact CG2-CZ2 4.38Å; T234-W245 HydrophobicContact CG2-CZ3 3.5Å; L237-W245 HydrophobicContact CD2-CZ3 4.39Å; E243-W245 PolarHBondContact O-N 2.87Å; W245-S247 PolarHBondContact O-N 2.84Å; W245-S247 VanDerWaalsContact O-N 3.1Å; W245-V248 HydrophobicContact CE3-CB 4.42Å; W245-V248 HydrophobicContact CE3-CG2 3.95Å; W245-V248 HydrophobicContact CH2-CG1 4.49Å; W245-V248 HydrophobicContact CZ3-CB 4.41Å; W245-V248 HydrophobicContact CZ3-CG1 4.46Å; W245-V248 HydrophobicContact CZ3-CG2 4.03Å; W245-V248 WeakPolarHBondContact O-CB 3.44Å; W245-V248 PolarHBondContact O-N 3.21Å; W245-L251 HydrophobicContact CH2-CD1 3.85Å; W245-L251 HydrophobicContact CZ3-CD1 4.48Å; W245-F264 AromaticContact CE2-CZ 3.99Å; W245-F264 HydrophobicContact CZ2-CD1 4.14Å; W245-F264 HydrophobicContact CZ2-CD2 4.19Å; W245-F264 AromaticContact CZ2-CE1 3.87Å; W245-F264 HydrophobicContact CZ2-CE1 3.87Å; W245-F264 AromaticContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CG 4.29Å; W245-F264 AromaticContact CZ2-CZ 3.75Å; W245-F264 HydrophobicContact CZ2-CZ 3.75Å; W245-F264 AromaticContact NE1-CZ 3.84Å
246E80.6Confident86.4Confident163 Ų16351.8 Ų51.876%0.76225%0.254SS*.G310 helixtrans-63.2-18.6179.6-63.7163.9-162.500112.6E243 V248E243-E246 PolarHBondContact O-N 2.8Å; E246-V248 PolarHBondContact O-N 3.21Å
247S83.8Confident86.2Confident2 Ų257.7 Ų57.71%0.01428%0.276CS..G310 helixtrans-64.5-23.9169.7-61.20000113.9L70 W71 E243 K244 W245L70-S247 CarbonylContact C-O 3.52Å; L70-S247 VanDerWaalsContact CA-O 3.23Å; L70-S247 WeakPolarHBondContact CA-O 3.43Å; L70-S247 WeakPolarHBondContact CD2-O 3.43Å; W71-S247 PolarHBondContact N-O 2.98Å; E243-S247 VanDerWaalsContact C-OG 3.22Å; E243-S247 WeakPolarHBondContact CA-OG 3.47Å; E243-S247 VanDerWaalsContact CB-OG 3.27Å; E243-S247 WeakPolarHBondContact CB-OG 3.23Å; E243-S247 PolarHBondContact N-OG 3.18Å; E243-S247 PolarHBondContact O-N 3.15Å; E243-S247 VanDerWaalsContact O-N 3.13Å; E243-S247 PolarHBondContact O-OG 3.07Å; K244-S247 WeakPolarHBondContact O-CB 3.47Å; K244-S247 PolarHBondContact O-OG 2.72Å; W245-S247 PolarHBondContact O-N 2.84Å; W245-S247 VanDerWaalsContact O-N 3.1Å
248V88.1Confident86.2Confident2 Ų258.9 Ų58.91%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-88.3116.5-170.7-176.70000110.2L70 L237 L241 W245 E246 L251 F264 S266L70-V248 HydrophobicContact CD2-CG2 4.24Å; L237-V248 HydrophobicContact CD2-CG2 3.71Å; L237-V248 HydrophobicContact CG-CG2 4.35Å; L241-V248 HydrophobicContact CD2-CG2 4.39Å; W245-V248 HydrophobicContact CE3-CB 4.42Å; W245-V248 HydrophobicContact CE3-CG2 3.95Å; W245-V248 HydrophobicContact CH2-CG1 4.49Å; W245-V248 HydrophobicContact CZ3-CB 4.41Å; W245-V248 HydrophobicContact CZ3-CG1 4.46Å; W245-V248 HydrophobicContact CZ3-CG2 4.03Å; W245-V248 WeakPolarHBondContact O-CB 3.44Å; W245-V248 PolarHBondContact O-N 3.21Å; E246-V248 PolarHBondContact O-N 3.21Å; V248-L251 HydrophobicContact CG1-CD2 3.66Å; V248-L251 HydrophobicContact CG1-CG 3.84Å; V248-F264 HydrophobicContact CG1-CD1 4.24Å; V248-F264 HydrophobicContact CG1-CE1 4.25Å; V248-S266 PolarHBondContact O-OG 2.91Å
249K88.5Confident86.4Confident70 Ų7060.6 Ų60.630%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-85.3-54.3178177.4172.2-176.5167.90112.3V69 W71 S266V69-K249 HydrophobicContact CG1-CB 4.46Å; V69-K249 WeakPolarHBondContact O-CA 3.5Å; V69-K249 WeakPolarHBondContact O-CB 3.28Å; V69-K249 PolarHBondContact O-N 3.1Å; W71-K249 HydrophobicContact CD2-CB 3.84Å; W71-K249 HydrophobicContact CD2-CD 3.83Å; W71-K249 HydrophobicContact CD2-CG 3.9Å; W71-K249 HydrophobicContact CE3-CD 3.74Å; W71-K249 HydrophobicContact CE3-CG 4.34Å; W71-K249 HydrophobicContact CG-CB 3.82Å; W71-K249 HydrophobicContact CG-CG 4.41Å; W71-K249 HydrophobicContact CH2-CD 3.7Å; W71-K249 HydrophobicContact CH2-CG 4.17Å; W71-K249 HydrophobicContact CZ2-CB 4.38Å; W71-K249 HydrophobicContact CZ2-CD 3.72Å; W71-K249 HydrophobicContact CZ2-CG 3.63Å; W71-K249 HydrophobicContact CZ3-CD 3.72Å; W71-K249 HydrophobicContact CZ3-CG 4.49Å; K249-S266 WeakPolarHBondContact CA-OG 3.05Å; K249-S266 PolarHBondContact O-N 3.13Å; K249-S266 PolarHBondContact O-OG 2.89Å; K249-S266 VanDerWaalsContact O-OG 3.13Å
250L91.6Very high86.8Confident36 Ų3656.4 Ų56.419%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-143.6144-176.1-73.9146.3000108.9V69 F252 F264 S265V69-L250 HydrophobicContact CB-CB 4.13Å; V69-L250 HydrophobicContact CG2-CB 4.36Å; V69-L250 PolarHBondContact N-O 3.38Å; V69-L250 PolarHBondContact O-N 3.1Å; L250-F252 HydrophobicContact CB-CD2 4.21Å; L250-F252 HydrophobicContact CB-CE2 3.5Å; L250-F252 VanDerWaalsContact CB-CE2 3.5Å; L250-F252 HydrophobicContact CB-CZ 4.03Å; L250-F252 HydrophobicContact CD1-CE2 4.09Å; L250-F252 HydrophobicContact CD1-CZ 4.01Å; L250-F252 HydrophobicContact CD2-CE2 4.32Å; L250-F252 HydrophobicContact CD2-CZ 3.97Å; L250-F252 HydrophobicContact CG-CE2 4.18Å; L250-F252 HydrophobicContact CG-CZ 4.23Å; L250-F264 WeakPolarHBondContact CA-O 3.28Å; L250-S265 WeakPolarHBondContact CD2-OG 3.42Å
251L93.6Very high87.3Confident0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-119.3130.7165.1-59.5179.8000109.1L66 V68 L237 W245 V248 I263 F264L66-L251 HydrophobicContact CD1-CB 4.37Å; L66-L251 HydrophobicContact CD2-CD2 4.33Å; V68-L251 HydrophobicContact CB-CD2 4.09Å; V68-L251 HydrophobicContact CG1-CD2 3.93Å; V68-L251 HydrophobicContact CG2-CD2 3.82Å; L237-L251 HydrophobicContact CD2-CD2 4.38Å; W245-L251 HydrophobicContact CH2-CD1 3.85Å; W245-L251 HydrophobicContact CZ3-CD1 4.48Å; V248-L251 HydrophobicContact CG1-CD2 3.66Å; V248-L251 HydrophobicContact CG1-CG 3.84Å; L251-I263 HydrophobicContact CB-CD1 4.06Å; L251-I263 HydrophobicContact CB-CG1 3.7Å; L251-I263 HydrophobicContact CD1-CD1 4.44Å; L251-I263 WeakPolarHBondContact O-CG1 3.17Å; L251-I263 PolarHBondContact O-N 2.79Å; L251-F264 HydrophobicContact CB-CB 4.03Å; L251-F264 HydrophobicContact CD1-CB 4.2Å; L251-F264 HydrophobicContact CG-CB 4.18Å; L251-F264 HydrophobicContact CG-CD1 4.33Å; L251-F264 PolarHBondContact N-O 3.03Å; L251-F264 PolarHBondContact O-N 2.92Å
252F94.3Very high87.7Confident41 Ų4156.3 Ų56.318%0.1830%0.295CS..EExtended strand (participates in β ladder)trans-123.6147.7171.7-50.9-103.1000110.5M67 V69 L250 A260 L261 P262M67-F252 HydrophobicContact CB-CB 4.29Å; M67-F252 HydrophobicContact CE-CB 4.17Å; M67-F252 HydrophobicContact CE-CD2 3.52Å; M67-F252 HydrophobicContact CE-CE2 4.02Å; M67-F252 HydrophobicContact CE-CG 3.93Å; M67-F252 PolarHBondContact N-O 3.27Å; M67-F252 PolarHBondContact O-N 3.42Å; V69-F252 HydrophobicContact CG2-CD2 4.33Å; V69-F252 HydrophobicContact CG2-CE2 3.98Å; L250-F252 HydrophobicContact CB-CD2 4.21Å; L250-F252 HydrophobicContact CB-CE2 3.5Å; L250-F252 VanDerWaalsContact CB-CE2 3.5Å; L250-F252 HydrophobicContact CB-CZ 4.03Å; L250-F252 HydrophobicContact CD1-CE2 4.09Å; L250-F252 HydrophobicContact CD1-CZ 4.01Å; L250-F252 HydrophobicContact CD2-CE2 4.32Å; L250-F252 HydrophobicContact CD2-CZ 3.97Å; L250-F252 HydrophobicContact CG-CE2 4.18Å; L250-F252 HydrophobicContact CG-CZ 4.23Å; F252-A260 HydrophobicContact CB-CB 3.94Å; F252-A260 HydrophobicContact CD1-CB 4.37Å; F252-A260 HydrophobicContact CG-CB 4.37Å; F252-L261 CarbonylContact C-O 3.58Å; F252-L261 WeakPolarHBondContact CA-O 3.45Å; F252-P262 HydrophobicContact CD1-CB 3.84Å; F252-P262 HydrophobicContact CE1-CB 3.91Å
253V94.6Very high88.7Confident0 Ų052.7 Ų52.70%027%0.271CS..EExtended strand (participates in β ladder)trans-104.5139.9169-171.60000108.9L43 L64 F65 L66 I230 A260 L261 I263L43-V253 HydrophobicContact CD1-CB 3.88Å; L43-V253 HydrophobicContact CD1-CG1 3.57Å; L64-V253 HydrophobicContact CD1-CG1 4.19Å; L64-V253 HydrophobicContact CD2-CG1 3.6Å; L64-V253 HydrophobicContact CG-CG1 3.89Å; F65-V253 WeakPolarHBondContact O-CA 3.27Å; L66-V253 HydrophobicContact CD1-CG2 4.15Å; I230-V253 HydrophobicContact CD1-CG2 4.15Å; V253-A260 CarbonylContact O-C 3.59Å; V253-A260 WeakPolarHBondContact O-CA 3.32Å; V253-L261 PolarHBondContact N-O 3.2Å; V253-L261 PolarHBondContact O-N 3.13Å; V253-I263 HydrophobicContact CG2-CD1 3.84Å; V253-I263 HydrophobicContact CG2-CG1 4.21Å; V253-I263 HydrophobicContact CG2-CG2 3.72Å
254K93.3Very high89.5Confident58 Ų5852 Ų5225%0.25227%0.267SS..EExtended strand (participates in β ladder)trans-156163.4178.569-175.2-172.4178.10112.5F65 M67 A260F65-K254 HydrophobicContact CB-CG 4.29Å; F65-K254 PolarHBondContact N-O 3.13Å; F65-K254 PolarHBondContact O-N 3.02Å; M67-K254 HydrophobicContact SD-CD 4.29Å; M67-K254 PolarHBondContact SD-NZ 2.77Å; K254-A260 HydrophobicContact CB-CB 3.98Å; K254-A260 HydrophobicContact CD-CB 4.06Å
255T91.1Very high89.7Confident3 Ų346.9 Ų46.92%0.01825%0.25CC..EExtended strand (participates in β ladder)trans-99.7179.5160.179.80000110.8E62 N63 I219 K257 S258E62-T255 PolarHBondContact OE2-OG1 2.76Å; N63-T255 VanDerWaalsContact O-CA 3.28Å; N63-T255 WeakPolarHBondContact O-CA 3.35Å; N63-T255 WeakPolarHBondContact O-CB 3.39Å; I219-T255 HydrophobicContact CD1-CG2 3.64Å; T255-K257 PolarHBondContact O-N 3.3Å; T255-K257 PolarHBondContact OG1-N 3.04Å; T255-S258 PolarHBondContact N-OG 2.99Å; T255-S258 PolarHBondContact OG1-N 3.2Å
256D86.3Confident89.6Confident104 Ų10446.2 Ų46.256%0.55625%0.252SS*.THydrogen-bonded Turntrans-58.7-24.8175.1-70.1-62.1000113.8F65F65-D256 VanDerWaalsContact CE2-OD1 3.31Å; F65-D256 WeakPolarHBondContact CE2-OD1 3.48Å; F65-D256 WeakPolarHBondContact CE2-OD2 3.45Å
257K84.8Confident88.7Confident136 Ų13646.8 Ų46.859%0.59125%0.252SS*.THydrogen-bonded Turntrans-126.310.2-172.2-55.1178.8-159.7140.80114R50 E62 T255R50-K257 PolarHBondContact NH1-O 2.64Å; R50-K257 PolarHBondContact NH2-O 2.91Å; E62-K257 WeakPolarHBondContact OE1-CD 3.22Å; E62-K257 IonicContact OE1-NZ 2.62Å; E62-K257 PolarHBondContact OE1-NZ 2.86Å; T255-K257 PolarHBondContact O-N 3.3Å; T255-K257 PolarHBondContact OG1-N 3.04Å
258S87.3Confident87Confident24 Ų2450.8 Ų50.817%0.16828%0.276CS..SBendtrans-103166.2-17878.20000112.6L43 T255L43-S258 WeakPolarHBondContact CD2-OG 3.23Å; T255-S258 PolarHBondContact N-OG 2.99Å; T255-S258 PolarHBondContact OG1-N 3.2Å
259A89.5Confident84.9Confident73 Ų7356.2 Ų56.260%0.60331%0.314SS*.  trans-61159156.700000110.5
260A93.8Very high82.9Confident36 Ų3658.8 Ų58.830%0.29833%0.331SS..  trans-101.8112.917800000110.4M67 F252 V253 K254M67-A260 HydrophobicContact CE-CB 4.24Å; F252-A260 HydrophobicContact CB-CB 3.94Å; F252-A260 HydrophobicContact CD1-CB 4.37Å; F252-A260 HydrophobicContact CG-CB 4.37Å; V253-A260 CarbonylContact O-C 3.59Å; V253-A260 WeakPolarHBondContact O-CA 3.32Å; K254-A260 HydrophobicContact CB-CB 3.98Å; K254-A260 HydrophobicContact CD-CB 4.06Å
261L94.4Very high80.6Confident49 Ų4961.9 Ų61.926%0.25734%0.341SS..EExtended strand (participates in β ladder)trans-88.7127.5-176.6-57.6-170.8000110.7A39 A42 L43 F252 V253A39-L261 HydrophobicContact CB-CB 4.11Å; A39-L261 HydrophobicContact CB-CD1 4.22Å; A42-L261 HydrophobicContact CB-CD1 3.89Å; L43-L261 HydrophobicContact CD1-CD1 4.43Å; L43-L261 HydrophobicContact CD2-CD1 4.28Å; L43-L261 HydrophobicContact CD2-CG 4.24Å; L43-L261 HydrophobicContact CG-CD1 3.84Å; L43-L261 HydrophobicContact CG-CG 4.2Å; F252-L261 CarbonylContact C-O 3.58Å; F252-L261 WeakPolarHBondContact CA-O 3.45Å; V253-L261 PolarHBondContact N-O 3.2Å; V253-L261 PolarHBondContact O-N 3.13Å
262P92.8Very high78.5Confident65 Ų6564.6 Ų64.642%0.42236%0.355SS..EExtended strand (participates in β ladder)trans-72.9128.2178.828.9-33.1000111.4Q35 F252Q35-P262 PolarHBondContact NE2-O 3.26Å; Q35-P262 VanDerWaalsContact NE2-O 3.1Å; F252-P262 HydrophobicContact CD1-CB 3.84Å; F252-P262 HydrophobicContact CE1-CB 3.91Å
263I93.3Very high76.6Confident10 Ų1067.8 Ų67.85%0.05137%0.371CS..EExtended strand (participates in β ladder)trans-107.8-20.317260.6163.7000112.8L31 V36 A39 L66 I230 L251 V253L31-I263 HydrophobicContact CD1-CB 4.39Å; L31-I263 HydrophobicContact CD1-CD1 4.1Å; L31-I263 HydrophobicContact CD1-CG1 4.28Å; L31-I263 HydrophobicContact CD2-CD1 4.27Å; V36-I263 HydrophobicContact CG2-CB 3.94Å; V36-I263 HydrophobicContact CG2-CD1 3.89Å; V36-I263 HydrophobicContact CG2-CG1 4.49Å; V36-I263 HydrophobicContact CG2-CG2 4.14Å; A39-I263 HydrophobicContact CB-CG2 3.66Å; L66-I263 HydrophobicContact CD1-CD1 3.83Å; I230-I263 HydrophobicContact CG2-CD1 3.98Å; L251-I263 HydrophobicContact CB-CD1 4.06Å; L251-I263 HydrophobicContact CB-CG1 3.7Å; L251-I263 HydrophobicContact CD1-CD1 4.44Å; L251-I263 WeakPolarHBondContact O-CG1 3.17Å; L251-I263 PolarHBondContact O-N 2.79Å; V253-I263 HydrophobicContact CG2-CD1 3.84Å; V253-I263 HydrophobicContact CG2-CG1 4.21Å; V253-I263 HydrophobicContact CG2-CG2 3.72Å
264F90.4Very high74.7Confident28 Ų2870.4 Ų70.412%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-150.4139.3176.8176.2-99.7000110.7L31 W245 V248 L250 L251L31-F264 HydrophobicContact CD1-CB 3.89Å; W245-F264 AromaticContact CE2-CZ 3.99Å; W245-F264 HydrophobicContact CZ2-CD1 4.14Å; W245-F264 HydrophobicContact CZ2-CD2 4.19Å; W245-F264 AromaticContact CZ2-CE1 3.87Å; W245-F264 HydrophobicContact CZ2-CE1 3.87Å; W245-F264 AromaticContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CE2 3.92Å; W245-F264 HydrophobicContact CZ2-CG 4.29Å; W245-F264 AromaticContact CZ2-CZ 3.75Å; W245-F264 HydrophobicContact CZ2-CZ 3.75Å; W245-F264 AromaticContact NE1-CZ 3.84Å; V248-F264 HydrophobicContact CG1-CD1 4.24Å; V248-F264 HydrophobicContact CG1-CE1 4.25Å; L250-F264 WeakPolarHBondContact CA-O 3.28Å; L251-F264 HydrophobicContact CB-CB 4.03Å; L251-F264 HydrophobicContact CD1-CB 4.2Å; L251-F264 HydrophobicContact CG-CB 4.18Å; L251-F264 HydrophobicContact CG-CD1 4.33Å; L251-F264 PolarHBondContact N-O 3.03Å; L251-F264 PolarHBondContact O-N 2.92Å
265S88.1Confident73.1Confident41 Ų4170.6 Ų70.629%0.28740%0.399SS..EExtended strand (participates in β ladder)trans-137.9117.3170.5-177.60000109.2L250 F267L250-S265 WeakPolarHBondContact CD2-OG 3.42Å; S265-F267 VanDerWaalsContact C-N 3.29Å; S265-F267 PolarHBondContact O-N 3.12Å; S265-F267 VanDerWaalsContact O-N 3.12Å; S265-F267 VanDerWaalsContact OG-CD2 3.28Å; S265-F267 WeakPolarHBondContact OG-CD2 3.21Å; S265-F267 WeakPolarHBondContact OG-CE2 3.47Å
266S80.6Confident71.5Confident30 Ų3077.3 Ų77.321%0.2143%0.428CS..  trans-79.685161.273.70000107.9W71 V248 K249W71-S266 PolarHBondContact NE1-OG 2.85Å; V248-S266 PolarHBondContact O-OG 2.91Å; K249-S266 WeakPolarHBondContact CA-OG 3.05Å; K249-S266 PolarHBondContact O-N 3.13Å; K249-S266 PolarHBondContact O-OG 2.89Å; K249-S266 VanDerWaalsContact O-OG 3.13Å
267F63Low70.2Confident175 Ų17579.5 Ų79.577%0.76843%0.428SS*.  trans-61.6139.1158.5-71.8-77.5000108.2S265 S269S265-F267 VanDerWaalsContact C-N 3.29Å; S265-F267 PolarHBondContact O-N 3.12Å; S265-F267 VanDerWaalsContact O-N 3.12Å; S265-F267 VanDerWaalsContact OG-CD2 3.28Å; S265-F267 WeakPolarHBondContact OG-CD2 3.21Å; S265-F267 WeakPolarHBondContact OG-CE2 3.47Å; F267-S269 PolarHBondContact O-N 2.84Å
268V48.6Very low69.1Low85 Ų8575.9 Ų75.952%0.51542%0.42SS..  trans-78.883.5-165.3-1720000111.2W71 W271W71-V268 HydrophobicContact CH2-CG2 3.41Å; W71-V268 VanDerWaalsContact CH2-CG2 3.41Å; W71-V268 HydrophobicContact CZ2-CG2 3.21Å; W71-V268 HydrophobicContact CZ3-CG2 4.48Å; V268-W271 HydrophobicContact CG1-CB 3.75Å; V268-W271 VanDerWaalsContact CG1-N 3.33Å
269S43.1Very low67.9Low116 Ų11678 Ų7881%0.81143%0.428SS*.SBendtrans-84.8105.8146.249.40000108.4F267F267-S269 PolarHBondContact O-N 2.84Å
270N45.8Very low66.9Low124 Ų12479.8 Ų79.866%0.66343%0.427SS*.  trans65.151.3170.7-120.534.9000119.7D272N270-D272 PolarHBondContact ND2-OD2 2.83Å; N270-D272 PolarHBondContact O-N 2.57Å; N270-D272 PolarHBondContact OD1-OD2 3.32Å
271W45.1Very low65.8Low102 Ų10282.8 Ų82.839%0.38644%0.438SS..  trans-76.668.6139-159.68.2000109.1W71 K72 V268W71-W271 HydrophobicContact CB-CE3 4.22Å; W71-W271 HydrophobicContact CB-CH2 3.79Å; W71-W271 HydrophobicContact CB-CZ3 3.57Å; W71-W271 AromaticContact CD2-CE3 3.92Å; W71-W271 HydrophobicContact CD2-CE3 3.92Å; W71-W271 AromaticContact CD2-CZ3 3.83Å; W71-W271 HydrophobicContact CD2-CZ3 3.83Å; W71-W271 AromaticContact CE3-CE3 3.88Å; W71-W271 HydrophobicContact CE3-CE3 3.88Å; W71-W271 AromaticContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CE3-CZ3 3.61Å; W71-W271 HydrophobicContact CG-CE3 4.08Å; W71-W271 AromaticContact CG-CZ3 3.85Å; W71-W271 HydrophobicContact CG-CZ3 3.85Å; K72-W271 HydrophobicContact CB-CH2 4.26Å; V268-W271 HydrophobicContact CG1-CB 3.75Å; V268-W271 VanDerWaalsContact CG1-N 3.33Å
272D49.4Very low64.8Low56 Ų5687.4 Ų87.430%0.29946%0.456SS..  trans-51.2142.8-164.1-158.3-43.4000112.6N270 A274 T275 K276N270-D272 PolarHBondContact ND2-OD2 2.83Å; N270-D272 PolarHBondContact O-N 2.57Å; N270-D272 PolarHBondContact OD1-OD2 3.32Å; D272-A274 HydrophobicContact CB-CB 4.4Å; D272-A274 PolarHBondContact O-N 2.62Å; D272-A274 WeakPolarHBondContact OD1-CB 3.38Å; D272-A274 PolarHBondContact OD1-N 3.13Å; D272-T275 WeakPolarHBondContact O-CA 3.44Å; D272-T275 WeakPolarHBondContact O-CB 3.02Å; D272-T275 PolarHBondContact O-N 3.46Å; D272-K276 PolarHBondContact O-N 2.98Å
273E53.2Low64Low108 Ų10892 Ų9251%0.50547%0.465SS..Hα-helixtrans-55-34.8171-74.4-127.4133.300111.2T275 K276 R277E273-T275 VanDerWaalsContact C-N 3.32Å; E273-T275 PolarHBondContact O-N 3.46Å; E273-K276 PolarHBondContact O-N 3.5Å; E273-R277 WeakPolarHBondContact O-CB 3.34Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.2Å; E273-R277 IonicContact OE2-CZ 3.53Å; E273-R277 IonicContact OE2-NE 3.54Å; E273-R277 IonicContact OE2-NH2 2.69Å; E273-R277 PolarHBondContact OE2-NH2 2.89Å
274A55.8Low63.4Low56 Ų5698.9 Ų98.946%0.46349%0.494SS..Hα-helixtrans-56.3-44.9172.800000111.9D272 S278D272-A274 HydrophobicContact CB-CB 4.4Å; D272-A274 PolarHBondContact O-N 2.62Å; D272-A274 WeakPolarHBondContact OD1-CB 3.38Å; D272-A274 PolarHBondContact OD1-N 3.13Å; A274-S278 WeakPolarHBondContact O-CB 3.38Å; A274-S278 PolarHBondContact O-N 3.15Å
275T59Low62.9Low62 Ų62105.6 Ų105.638%0.3852%0.523SS..Hα-helixtrans-67.2-40.5177.1-62.30000111.5D272 E273 S278 M279D272-T275 WeakPolarHBondContact O-CA 3.44Å; D272-T275 WeakPolarHBondContact O-CB 3.02Å; D272-T275 PolarHBondContact O-N 3.46Å; E273-T275 VanDerWaalsContact C-N 3.32Å; E273-T275 PolarHBondContact O-N 3.46Å; T275-S278 PolarHBondContact O-N 2.71Å; T275-M279 WeakPolarHBondContact O-CB 3.4Å; T275-M279 WeakPolarHBondContact O-CG 3.4Å; T275-M279 PolarHBondContact O-N 2.87Å
276K58.1Low62.5Low144 Ų144108.4 Ų108.463%0.62653%0.532SS*.Hα-helixtrans-64.3-45.8177.1-155.9175.2-176.1-178.50111.6D272 E273 L280D272-K276 PolarHBondContact O-N 2.98Å; E273-K276 PolarHBondContact O-N 3.5Å; K276-L280 WeakPolarHBondContact O-CB 3.45Å; K276-L280 PolarHBondContact O-N 3.44Å
277R58.1Low62.6Low150 Ų150109.9 Ų109.957%0.56655%0.546SS*.Hα-helixtrans-64.2-43.3173.3-67.1172.6-156.2-177.78.8111.3E273 L280 N281E273-R277 WeakPolarHBondContact O-CB 3.34Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.2Å; E273-R277 IonicContact OE2-CZ 3.53Å; E273-R277 IonicContact OE2-NE 3.54Å; E273-R277 IonicContact OE2-NH2 2.69Å; E273-R277 PolarHBondContact OE2-NH2 2.89Å; R277-L280 PolarHBondContact O-N 3.28Å; R277-N281 WeakPolarHBondContact O-CB 3.3Å; R277-N281 VanDerWaalsContact O-CG 3.3Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 PolarHBondContact O-ND2 3.27Å
278S62.8Low63.7Low59 Ų59109.8 Ų109.841%0.41354%0.54SS..Hα-helixtrans-62.4-44.5177.4-177.70000112.2A274 T275 N281 K282A274-S278 WeakPolarHBondContact O-CB 3.38Å; A274-S278 PolarHBondContact O-N 3.15Å; T275-S278 PolarHBondContact O-N 2.71Å; S278-N281 PolarHBondContact O-N 2.65Å; S278-K282 WeakPolarHBondContact O-CB 3.39Å; S278-K282 PolarHBondContact O-N 3Å
279M61Low65.4Low69 Ų69113.6 Ų113.634%0.3455%0.545SS..Hα-helixtrans-62.9-42.3173.3-79.6-74.1-177.200112.6E243 T275 K282 R283E243-M279 WeakPolarHBondContact OE1-CE 3.47Å; T275-M279 WeakPolarHBondContact O-CB 3.4Å; T275-M279 WeakPolarHBondContact O-CG 3.4Å; T275-M279 PolarHBondContact O-N 2.87Å; M279-K282 PolarHBondContact O-N 3.24Å; M279-R283 WeakPolarHBondContact O-CB 3.48Å; M279-R283 PolarHBondContact O-N 3.13Å
280L68.1Low67.4Low111 Ų111113 Ų11358%0.58153%0.528SS*.Hα-helixtrans-63.2-42.4175.2-17662.1000111.3K276 R277 R283 K284K276-L280 WeakPolarHBondContact O-CB 3.45Å; K276-L280 PolarHBondContact O-N 3.44Å; R277-L280 PolarHBondContact O-N 3.28Å; L280-R283 PolarHBondContact O-N 3.32Å; L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 PolarHBondContact O-N 3.17Å
281N70.9Confident69.3Low98 Ų98115.9 Ų115.952%0.52453%0.53SS..Hα-helixtrans-67.9-40.6177.1-75.8-22000112.5R277 S278 K284 K285R277-N281 WeakPolarHBondContact O-CB 3.3Å; R277-N281 VanDerWaalsContact O-CG 3.3Å; R277-N281 PolarHBondContact O-N 2.9Å; R277-N281 PolarHBondContact O-ND2 3.27Å; S278-N281 PolarHBondContact O-N 2.65Å; N281-K284 PolarHBondContact O-N 3.28Å; N281-K285 VanDerWaalsContact O-CB 3.31Å; N281-K285 WeakPolarHBondContact O-CB 3.49Å; N281-K285 PolarHBondContact O-N 3.44Å
282K74Confident71.3Confident146 Ų146118.9 Ų118.964%0.63554%0.541SS*.Hα-helixtrans-59.4-48.4170.7-79.4-177.8177.7176.50111S278 M279 K284 K285 E286S278-K282 WeakPolarHBondContact O-CB 3.39Å; S278-K282 PolarHBondContact O-N 3Å; M279-K282 PolarHBondContact O-N 3.24Å; K282-K284 PolarHBondContact O-N 2.88Å; K282-K285 PolarHBondContact O-N 2.93Å; K282-E286 WeakPolarHBondContact O-CB 3.33Å; K282-E286 PolarHBondContact O-N 2.85Å
283R76.4Confident73.1Confident162 Ų162120.1 Ų120.161%0.61155%0.545SS*.Hα-helixtrans-58.3-44.1174-84.7-178.6158.6-173-5112.6M279 L280 E286 A287M279-R283 WeakPolarHBondContact O-CB 3.48Å; M279-R283 PolarHBondContact O-N 3.13Å; L280-R283 PolarHBondContact O-N 3.32Å; R283-E286 PolarHBondContact O-N 2.94Å; R283-A287 VanDerWaalsContact O-CB 3.28Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.5Å
284K79.4Confident74.7Confident154 Ų154123.7 Ų123.767%0.6755%0.554SS**Hα-helixtrans-64.7-39.6178.1-167.6172.1178.5178.40111.6L280 N281 K282 R288L280-K284 VanDerWaalsContact O-CB 3.31Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 PolarHBondContact O-N 3.17Å; N281-K284 PolarHBondContact O-N 3.28Å; K282-K284 PolarHBondContact O-N 2.88Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.36Å
285K79.3Confident76.2Confident170 Ų170125.4 Ų125.474%0.73956%0.555SS**Hα-helixtrans-67.8-44.1175.3-167.7170.8-177.8175.70111.7N281 K282 R288 R289N281-K285 VanDerWaalsContact O-CB 3.31Å; N281-K285 WeakPolarHBondContact O-CB 3.49Å; N281-K285 PolarHBondContact O-N 3.44Å; K282-K285 PolarHBondContact O-N 2.93Å; K285-R288 PolarHBondContact O-N 3.37Å; K285-R289 PolarHBondContact O-N 2.98Å
286E80.7Confident77.5Confident100 Ų100129.3 Ų129.347%0.46757%0.567SS.*Hα-helixtrans-64.7-44.4176.4-165.5-162.615100112.1K282 R283 R288 R289 K290K282-E286 WeakPolarHBondContact O-CB 3.33Å; K282-E286 PolarHBondContact O-N 2.85Å; R283-E286 PolarHBondContact O-N 2.94Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.07Å; E286-R289 WeakPolarHBondContact O-CB 3.13Å; E286-R289 PolarHBondContact O-N 3.27Å; E286-R289 VanDerWaalsContact O-N 3.13Å; E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.4Å; E286-K290 IonicContact OE1-NZ 3.17Å; E286-K290 PolarHBondContact OE1-NZ 3Å
287A83.5Confident78.8Confident60 Ų60129.3 Ų129.350%0.49657%0.569SS.*Hα-helixtrans-62.4-39.4174.300000112R283 R289 K290 R291R283-A287 VanDerWaalsContact O-CB 3.28Å; R283-A287 WeakPolarHBondContact O-CB 3.36Å; R283-A287 PolarHBondContact O-N 3.5Å; A287-R289 VanDerWaalsContact C-N 3.33Å; A287-K290 PolarHBondContact O-N 3.43Å; A287-R291 WeakPolarHBondContact O-CB 3.49Å; A287-R291 PolarHBondContact O-N 3.42Å
288R84.5Confident80.1Confident173 Ų173128.3 Ų128.365%0.65357%0.569SS**Hα-helixtrans-64.5-36.1172.8-163.5177.4-170.5-170.33.2111.6K284 K285 E286 R292K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 PolarHBondContact O-N 3.36Å; K285-R288 PolarHBondContact O-N 3.37Å; E286-R288 VanDerWaalsContact C-N 3.34Å; E286-R288 PolarHBondContact O-N 3.07Å; R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.41Å
289R85.2Confident81.1Confident166 Ų166131 Ų13163%0.62658%0.575SS**Hα-helixtrans-64.7-51.8173.8-146.3-171.287.9169.411.9111.2K285 E286 A287 R291 R292 E293K285-R289 PolarHBondContact O-N 2.98Å; E286-R289 WeakPolarHBondContact O-CB 3.13Å; E286-R289 PolarHBondContact O-N 3.27Å; E286-R289 VanDerWaalsContact O-N 3.13Å; A287-R289 VanDerWaalsContact C-N 3.33Å; R289-R291 VanDerWaalsContact C-N 3.28Å; R289-R291 PolarHBondContact O-N 3.15Å; R289-R292 WeakPolarHBondContact O-CA 3.48Å; R289-R292 WeakPolarHBondContact O-CB 3.13Å; R289-R292 PolarHBondContact O-N 2.97Å; R289-E293 IonicContact CZ-OE1 3.87Å; R289-E293 IonicContact NE-OE1 2.77Å; R289-E293 PolarHBondContact NE-OE1 2.9Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.23Å
290K85Confident82.2Confident103 Ų103134.9 Ų134.945%0.44859%0.59SS.*Hα-helixtrans-61.2-31.3177.2-74172.3172.6172.30113.7E286 A287 E293 R294E286-K290 HydrophobicContact CG-CD 4.49Å; E286-K290 PolarHBondContact O-N 3.49Å; E286-K290 WeakPolarHBondContact OE1-CE 3.4Å; E286-K290 IonicContact OE1-NZ 3.17Å; E286-K290 PolarHBondContact OE1-NZ 3Å; A287-K290 PolarHBondContact O-N 3.43Å; K290-E293 WeakPolarHBondContact CA-OE2 3.28Å; K290-R294 WeakPolarHBondContact O-CB 3.37Å; K290-R294 VanDerWaalsContact O-CG 3.3Å; K290-R294 WeakPolarHBondContact O-CG 3.38Å; K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.15Å
291R86Confident82.9Confident184 Ų184134.3 Ų134.369%0.69458%0.584SS**Hα-helixtrans-72.2-36.9171.3-169.9173.2179.5-179.9-1.5112.3A287 R289 N295A287-R291 WeakPolarHBondContact O-CB 3.49Å; A287-R291 PolarHBondContact O-N 3.42Å; R289-R291 VanDerWaalsContact C-N 3.28Å; R289-R291 PolarHBondContact O-N 3.15Å; R291-N295 WeakPolarHBondContact O-CB 3.4Å; R291-N295 PolarHBondContact O-N 2.83Å; R291-N295 VanDerWaalsContact O-N 3.08Å; R291-N295 PolarHBondContact O-OD1 2.85Å
292R87.1Confident83.6Confident166 Ų166138.7 Ų138.763%0.62659%0.594SS**Hα-helixtrans-65.7-48.2172.9-77.4174.6168.6-177.8-5.9111.7R288 R289 R294 N295 F296R288-R292 WeakPolarHBondContact O-CG 3.47Å; R288-R292 PolarHBondContact O-N 3.41Å; R289-R292 WeakPolarHBondContact O-CA 3.48Å; R289-R292 WeakPolarHBondContact O-CB 3.13Å; R289-R292 PolarHBondContact O-N 2.97Å; R292-R294 PolarHBondContact O-N 3.28Å; R292-N295 PolarHBondContact O-N 2.87Å; R292-N295 VanDerWaalsContact O-N 3.15Å; R292-F296 PolarHBondContact O-N 3Å
293E86.7Confident83.9Confident81 Ų81138.3 Ų138.338%0.37959%0.592SS.*Hα-helixtrans-53.4-55.5176-69.6161.2177.300111R289 K290 N295 F296 E297R289-E293 IonicContact CZ-OE1 3.87Å; R289-E293 IonicContact NE-OE1 2.77Å; R289-E293 PolarHBondContact NE-OE1 2.9Å; R289-E293 IonicContact NH2-OE1 2.89Å; R289-E293 PolarHBondContact NH2-OE1 3Å; R289-E293 WeakPolarHBondContact O-CG 3.31Å; R289-E293 PolarHBondContact O-N 3.23Å; K290-E293 WeakPolarHBondContact CA-OE2 3.28Å; E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.35Å; E293-F296 PolarHBondContact O-N 3.31Å; E293-E297 PolarHBondContact O-N 3.45Å
294R87.8Confident84Confident184 Ų184138.3 Ų138.369%0.69460%0.596SS**Hα-helixtrans-60.6-31.9177-73.8175.8173.6-170.3-3.1114.3K290 R292 K298K290-R294 WeakPolarHBondContact O-CB 3.37Å; K290-R294 VanDerWaalsContact O-CG 3.3Å; K290-R294 WeakPolarHBondContact O-CG 3.38Å; K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.15Å; R292-R294 PolarHBondContact O-N 3.28Å; R294-K298 WeakPolarHBondContact O-CB 3.31Å; R294-K298 VanDerWaalsContact O-CG 3.29Å; R294-K298 WeakPolarHBondContact O-CG 3.35Å; R294-K298 PolarHBondContact O-N 2.88Å
295N86.8Confident84Confident92 Ų92137.1 Ų137.149%0.49259%0.591SS.*Hα-helixtrans-73.6-42.6176.8-80.710.2000111.4R291 R292 E293 K298 Q299R291-N295 WeakPolarHBondContact O-CB 3.4Å; R291-N295 PolarHBondContact O-N 2.83Å; R291-N295 VanDerWaalsContact O-N 3.08Å; R291-N295 PolarHBondContact O-OD1 2.85Å; R292-N295 PolarHBondContact O-N 2.87Å; R292-N295 VanDerWaalsContact O-N 3.15Å; E293-N295 VanDerWaalsContact C-N 3.29Å; E293-N295 PolarHBondContact O-N 3.35Å; N295-K298 PolarHBondContact O-N 3.39Å; N295-Q299 WeakPolarHBondContact O-CB 3.4Å; N295-Q299 PolarHBondContact O-N 3.32Å
296F85.2Confident83.9Confident144 Ų144138.5 Ų138.563%0.63259%0.592SS**Hα-helixtrans-63.8-41.5178-170.2-100.8000111.5R292 E293 Q299 K300R292-F296 PolarHBondContact O-N 3Å; E293-F296 PolarHBondContact O-N 3.31Å; F296-Q299 CarbonylContact O-C 3.6Å; F296-Q299 WeakPolarHBondContact O-CB 3.33Å; F296-Q299 PolarHBondContact O-N 3.02Å; F296-Q299 VanDerWaalsContact O-N 3.13Å; F296-K300 PolarHBondContact O-N 2.81Å
297E86.5Confident83.4Confident143 Ų143140.2 Ų140.267%0.66860%0.6SS**Hα-helixtrans-63.2-47.1176.3-169.1145.3-118.500112.2E293 Q299 K300 E301E293-E297 PolarHBondContact O-N 3.45Å; E297-Q299 PolarHBondContact O-N 3.23Å; E297-K300 PolarHBondContact O-N 3.21Å; E297-E301 PolarHBondContact O-N 2.95Å
298K85.8Confident82.8Confident130 Ų130140.1 Ų140.157%0.56560%0.599SS**Hα-helixtrans-59.2-32.8171-75.2178.4176.5-168.60113R294 N295 R302R294-K298 WeakPolarHBondContact O-CB 3.31Å; R294-K298 VanDerWaalsContact O-CG 3.29Å; R294-K298 WeakPolarHBondContact O-CG 3.35Å; R294-K298 PolarHBondContact O-N 2.88Å; N295-K298 PolarHBondContact O-N 3.39Å; K298-R302 WeakPolarHBondContact O-CB 3.4Å; K298-R302 VanDerWaalsContact O-CG 3.26Å; K298-R302 WeakPolarHBondContact O-CG 3.26Å; K298-R302 PolarHBondContact O-N 3.42Å
299Q83.3Confident82Confident115 Ų115141.6 Ų141.654%0.53761%0.605SS.*Hα-helixtrans-74-38177.2-163.7176.214.600111.6N295 F296 E297 R302 K303N295-Q299 WeakPolarHBondContact O-CB 3.4Å; N295-Q299 PolarHBondContact O-N 3.32Å; F296-Q299 CarbonylContact O-C 3.6Å; F296-Q299 WeakPolarHBondContact O-CB 3.33Å; F296-Q299 PolarHBondContact O-N 3.02Å; F296-Q299 VanDerWaalsContact O-N 3.13Å; E297-Q299 PolarHBondContact O-N 3.23Å; Q299-R302 PolarHBondContact O-N 3.3Å; Q299-K303 PolarHBondContact O-N 3.02Å
300K83.2Confident80.9Confident150 Ų150141.3 Ų141.365%0.65261%0.608SS**Hα-helixtrans-64.2-44.2172.5-168.2176.5-176.9179.60111.2F296 E297 K303 K304F296-K300 PolarHBondContact O-N 2.81Å; E297-K300 PolarHBondContact O-N 3.21Å; K300-K303 PolarHBondContact O-N 2.82Å; K300-K304 PolarHBondContact O-N 2.95Å
301E83.1Confident79.5Confident99 Ų99140.1 Ų140.146%0.46361%0.613SS.*Hα-helixtrans-61.4-45.4174.4-163.1-154.9148.500111.8E297 K303 K304 K305E297-E301 PolarHBondContact O-N 2.95Å; E301-K303 PolarHBondContact O-N 3.38Å; E301-K304 PolarHBondContact O-N 2.83Å; E301-K305 WeakPolarHBondContact O-CB 3.34Å; E301-K305 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 2.66Å; E301-K305 PolarHBondContact OE1-NZ 2.83Å
302R85.6Confident78.1Confident190 Ų190134.6 Ų134.672%0.71761%0.606SS**Hα-helixtrans-62.1-39.7173.9-78.8175.7171.3-159.9-4.8112.6K298 Q299 K305 R306K298-R302 WeakPolarHBondContact O-CB 3.4Å; K298-R302 VanDerWaalsContact O-CG 3.26Å; K298-R302 WeakPolarHBondContact O-CG 3.26Å; K298-R302 PolarHBondContact O-N 3.42Å; Q299-R302 PolarHBondContact O-N 3.3Å; R302-K305 PolarHBondContact O-N 3.43Å; R302-R306 WeakPolarHBondContact O-CG 3.46Å; R302-R306 PolarHBondContact O-N 3.44Å
303K81.2Confident76.5Confident139 Ų139130.5 Ų130.560%0.60460%0.603SS**Hα-helixtrans-61.9-49.1173.3-80-169.1175.4-169.80111.1Q299 K300 E301 K305 R306 Q307Q299-K303 PolarHBondContact O-N 3.02Å; K300-K303 PolarHBondContact O-N 2.82Å; E301-K303 PolarHBondContact O-N 3.38Å; K303-K305 VanDerWaalsContact C-N 3.33Å; K303-K305 PolarHBondContact O-N 3.28Å; K303-R306 PolarHBondContact O-N 3.32Å; K303-R306 VanDerWaalsContact O-N 3.07Å; K303-Q307 PolarHBondContact O-N 3Å
304K78.9Confident74.8Confident161 Ų161132.4 Ų132.470%0.762%0.62SS**Hα-helixtrans-59.6-41178.2-162.4175.3-175-178.70112K300 E301 Q307 A308K300-K304 PolarHBondContact O-N 2.95Å; E301-K304 PolarHBondContact O-N 2.83Å; K304-Q307 PolarHBondContact O-N 3.47Å; K304-A308 WeakPolarHBondContact O-CB 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å
305K78.4Confident72.9Confident129 Ų129131 Ų13156%0.56163%0.626SS**Hα-helixtrans-67.4-31.4174.4-76.1175.8171.3173.30113.9E301 R302 K303 R309E301-K305 WeakPolarHBondContact O-CB 3.34Å; E301-K305 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact OE1-CE 3.43Å; E301-K305 IonicContact OE1-NZ 2.66Å; E301-K305 PolarHBondContact OE1-NZ 2.83Å; R302-K305 PolarHBondContact O-N 3.43Å; K303-K305 VanDerWaalsContact C-N 3.33Å; K303-K305 PolarHBondContact O-N 3.28Å; K305-R309 PolarHBondContact O-N 2.85Å
306R77.3Confident71.1Confident199 Ų199130 Ų13075%0.75163%0.626SS**Hα-helixtrans-74.7-35.6172-71.9-176.886.9-178.57.1112.5R302 K303 R309 K310R302-R306 WeakPolarHBondContact O-CG 3.46Å; R302-R306 PolarHBondContact O-N 3.44Å; K303-R306 PolarHBondContact O-N 3.32Å; K303-R306 VanDerWaalsContact O-N 3.07Å; R306-R309 PolarHBondContact O-N 2.87Å; R306-K310 PolarHBondContact O-N 3.33Å
307Q70.6Confident69.1Low136 Ų136130.7 Ų130.764%0.63663%0.629SS**Hα-helixtrans-65.3-48.1173.7-74.4172.6-62.900111.2K303 K304 R309 K310 S311K303-Q307 PolarHBondContact O-N 3Å; K304-Q307 PolarHBondContact O-N 3.47Å; Q307-R309 PolarHBondContact O-N 2.93Å; Q307-K310 PolarHBondContact O-N 3.32Å; Q307-S311 PolarHBondContact O-N 3.08Å; Q307-S311 PolarHBondContact O-OG 2.94Å
308A69.9Low66.6Low58 Ų58130.2 Ų130.248%0.47963%0.63SS.*Hα-helixtrans-59.6-31.217600000113.5K304 S311 A312K304-A308 WeakPolarHBondContact O-CB 3.18Å; K304-A308 PolarHBondContact O-N 2.88Å; A308-S311 WeakPolarHBondContact CA-OG 3.42Å; A308-S311 PolarHBondContact O-OG 2.98Å; A308-A312 PolarHBondContact O-N 2.92Å
309R68.1Low64.2Low205 Ų205129 Ų12977%0.77463%0.63SS**Hα-helixtrans-75.1-35171.8-79-174170.6-158.9-5113.3K305 R306 Q307 A312 S313K305-R309 PolarHBondContact O-N 2.85Å; R306-R309 PolarHBondContact O-N 2.87Å; Q307-R309 PolarHBondContact O-N 2.93Å; R309-A312 PolarHBondContact O-N 3.28Å; R309-S313 PolarHBondContact O-N 3.03Å; R309-S313 VanDerWaalsContact O-N 3.15Å; R309-S313 PolarHBondContact O-OG 2.91Å
310K62.8Low61.7Low159 Ų159129.7 Ų129.769%0.69164%0.642SS**Hα-helixtrans-68.8-38.1174.3-85.8-157.3166.5-1540112.7R306 Q307 A312 S313 V314R306-K310 PolarHBondContact O-N 3.33Å; Q307-K310 PolarHBondContact O-N 3.32Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 2.93Å; K310-S313 PolarHBondContact O-N 2.8Å; K310-S313 PolarHBondContact O-OG 3.15Å; K310-V314 WeakPolarHBondContact O-CG2 3.33Å
311S55.6Low59.2Low79 Ų79126.6 Ų126.655%0.55265%0.645SS**Hα-helixtrans-68.3-27.1174.453.80000112.8Q307 A308Q307-S311 PolarHBondContact O-N 3.08Å; Q307-S311 PolarHBondContact O-OG 2.94Å; A308-S311 WeakPolarHBondContact CA-OG 3.42Å; A308-S311 PolarHBondContact O-OG 2.98Å
312A56.5Low57.8Low68 Ų68127.3 Ų127.356%0.56266%0.657SS**Hα-helixtrans-78.6-24.2174.100000113.4A308 R309 K310A308-A312 PolarHBondContact O-N 2.92Å; R309-A312 PolarHBondContact O-N 3.28Å; K310-A312 VanDerWaalsContact C-N 3.27Å; K310-A312 PolarHBondContact O-N 2.93Å
313S54.4Low55.2Low79 Ų79126.5 Ų126.555%0.55266%0.662SS**THydrogen-bonded Turntrans-96.821.4-178.174.30000114.1R309 K310R309-S313 PolarHBondContact O-N 3.03Å; R309-S313 VanDerWaalsContact O-N 3.15Å; R309-S313 PolarHBondContact O-OG 2.91Å; K310-S313 PolarHBondContact O-N 2.8Å; K310-S313 PolarHBondContact O-OG 3.15Å
314V49.3Very low52.6Low121 Ų121124.4 Ų124.473%0.73367%0.665SS**THydrogen-bonded Turntrans-120.1-1177.9171.30000111.1K310K310-V314 WeakPolarHBondContact O-CG2 3.33Å
315L48.6Very low50Low156 Ų156120.1 Ų120.182%0.81767%0.666SS**SBendtrans-103.324.7177-78.9164.2000112.6
316S49.6Very low47.5Very low71 Ų71120.6 Ų120.650%0.49768%0.675SS.*  trans-166.285.4-179.661.50000110.7
317K42.1Very low45.2Very low158 Ų158116.4 Ų116.469%0.68767%0.671SS**  trans-166120.7151.4-120.9178.8177-68.90111.3D319K317-D319 IonicContact NZ-OD1 3.64Å; K317-D319 PolarHBondContact NZ-OD1 3.42Å; K317-D319 IonicContact NZ-OD2 3.43Å; K317-D319 PolarHBondContact NZ-OD2 2.62Å
318D34.6Very low43.1Very low132 Ų132115.5 Ų115.571%0.70668%0.676SS**  trans-143.5-23.4-137.5-36.6-71000116
319D35.6Very low41.2Very low105 Ų105118.1 Ų118.156%0.56169%0.685SS**  cis-113.1-66.2-5.2-151.1132000114.9K317K317-D319 IonicContact NZ-OD1 3.64Å; K317-D319 PolarHBondContact NZ-OD1 3.42Å; K317-D319 IonicContact NZ-OD2 3.43Å; K317-D319 PolarHBondContact NZ-OD2 2.62Å
320V30.6Very low39.3Very low129 Ų129117.8 Ų117.878%0.78269%0.69SS**  cis-138.2160.7-5.1-175.40000107.3
321A31.2Very low37.4Very low86 Ų86117.8 Ų117.871%0.71169%0.689SS**  trans-154.4177.8-179.200000111.3
322P52.6Low36.5Very low113 Ų113119.2 Ų119.273%0.73470%0.697SS**  cis-122.2-147.1-6.544.7-26.9000109.3
323E30.6Very low34.9Very low173 Ų173122.6 Ų122.681%0.80870%0.701SS**  cis-166.2-172.7-18.1-132.4179.9-87.700107.1
324S27.6Very low33.5Very low96 Ų96124.1 Ų124.167%0.67171%0.712SS**  cis-158.7171.4-8.7-1510000110.4
325G24.9Very low32.4Very low70 Ų70128 Ų12872%0.72272%0.719SS**  trans73.3142.8163.200000118.2
326D26.2Very low31.3Very low140 Ų140130.5 Ų130.575%0.74972%0.723SS**  cis-157.9170-8.9-17238000111.9
327T27.7Very low30Very low110 Ų110134.3 Ų134.368%0.67573%0.733SS**  trans19.4150.6159.351.90000122.7
328T27.2Very low29.2Very low118 Ų118134.2 Ų134.272%0.72474%0.735SS**  cis-161.8159.8-27.6-49.70000106.4
329V29.1Very low28.7Very low113 Ų113133.5 Ų133.569%0.68574%0.735SS**  159138.699.6173.20000110.9
330K28Very low28.6Very low198 Ų198133.9 Ų133.986%0.86174%0.744SS**  trans61.1113.1158.1-75.5166.1-170.6171.70123.5
331K24Very low28.5Very low158 Ų158135.3 Ų135.369%0.68774%0.742SS**  trans-60.9172.6134.1-123.3-167.9178.2-135.60111E333K331-E333 WeakPolarHBondContact CE-OE1 3.33Å; K331-E333 IonicContact NZ-OE1 2.82Å; K331-E333 PolarHBondContact NZ-OE1 2.66Å; K331-E333 IonicContact NZ-OE2 2.69Å; K331-E333 PolarHBondContact NZ-OE2 2.69Å
332P37.3Very low28.6Very low109 Ų109137.2 Ų137.271%0.70874%0.736SS**  cis-137.1-168.10.347.9-30.7000112.8
333E21.4Very low27.4Very low139 Ų139134.7 Ų134.765%0.6573%0.73SS**  cis-142.7-58.3-14.2-154.774.1-54.200112.5K331K331-E333 WeakPolarHBondContact CE-OE1 3.33Å; K331-E333 IonicContact NZ-OE1 2.82Å; K331-E333 PolarHBondContact NZ-OE1 2.66Å; K331-E333 IonicContact NZ-OE2 2.69Å; K331-E333 PolarHBondContact NZ-OE2 2.69Å
334S25.3Very low27.7Very low111 Ų111134.5 Ų134.578%0.77673%0.727SS**  trans-160134-172.961.90000117.3
335K25.6Very low27.8Very low203 Ų203139.5 Ų139.588%0.88374%0.737SS**  trans-157.3148.4146.1-109.8177.4-178.4-176.80107.8
336K27Very low28.1Very low209 Ų209145.6 Ų145.691%0.90974%0.743SS**  trans-153104.6-171.2-164.6168.5-172.2169.30112.4
337E22.3Very low28.3Very low151 Ų151151.4 Ų151.471%0.70676%0.755SS**  trans-123.3129.8-179.6-75.9-16690.700109.3
338Q24.6Very low28.2Very low155 Ų155149.8 Ų149.872%0.72476%0.76SS**  71.786.982.2-65-165.9110.800112.6
339T23.5Very low28.4Very low117 Ų117156.7 Ų156.772%0.71877%0.772SS**  90.1143.4103.318.40000114.1
340P34.9Very low28.3Very low114 Ų114154.8 Ų154.874%0.7478%0.776SS**  -112.7156.479.1-729.2000113.9
341E28.6Very low28.6Very low159 Ų159155.6 Ų155.674%0.74378%0.779SS**  68.113776-57.1-115.4103.800114.3
342H31.8Very low28.9Very low125 Ų125152.2 Ų152.258%0.57978%0.781SS**  cis-156.7147-8.7-146.197.1000108.9K344H342-K344 WeakPolarHBondContact NE2-CE 3.08Å; H342-K344 PolarHBondContact NE2-NZ 2.69Å
343G27.1Very low28.4Very low60 Ų60156.5 Ų156.562%0.61979%0.791SS**  cis168.4-177.9-11.400000113.9
344K37.5Very low28.8Very low170 Ų170156.5 Ų156.574%0.73980%0.801SS**  trans68.5142.5165.6-64.8152.8176.91520117.3H342H342-K344 WeakPolarHBondContact NE2-CE 3.08Å; H342-K344 PolarHBondContact NE2-NZ 2.69Å
345K30.9Very low28.8Very low201 Ų201160.6 Ų160.687%0.87480%0.804SS**  cis-139.3174.5-0.7-122.7167.1-177.1176.40110.3
346K30.6Very low28.8Very low198 Ų198155.1 Ų155.186%0.86180%0.797SS**  trans-156.2113.6-143.6-164.8178.3-167173.90115.5
347R30.8Very low28.7Very low262 Ų262151.1 Ų151.199%0.98979%0.79SS**  trans172.6155159.7-97.5150.3-172.7-157.3-0.9114.5
348G25.7Very low28.8Very low76 Ų76150.9 Ų150.978%0.78479%0.794SS**  cis155142-10.500000114.6
349R30.3Very low28.9Very low262 Ų262152 Ų15299%0.98980%0.799SS**  trans-156.7135.7173.8-164.8179.1-170.4-174.65.6112.8
350G28.2Very low29.3Very low73 Ų73151.9 Ų151.975%0.75380%0.803SS**  trans-169.4173.3178.400000113.9
351K32.9Very low28.9Very low215 Ų215149.9 Ų149.994%0.93580%0.803SS**  trans-131.9177.8173.8-46.4-179.2175.1-177.80108.8
352A30.3Very low29.4Very low88 Ų88149.9 Ų149.973%0.72781%0.808SS**  cis-162.7157.35.700000110.6
353Q27.6Very low29.4Very low198 Ų198153.1 Ų153.193%0.92582%0.824SS**  trans-175.8-175.9134.1-107.5-173.27.900112.5
354V28.7Very low30Very low139 Ų139157.4 Ų157.484%0.84283%0.831SS**  trans-150.9131.9-165.7171.20000112.2
355K25.2Very low29.9Very low197 Ų197155.2 Ų155.286%0.85783%0.834SS**  179.2137128.9-129.5-175175.7-173.10115.3
356A26.8Very low30Very low88 Ų88154.6 Ų154.673%0.72783%0.834SS**  trans57.2159.615500000118.1
357T23.7Very low30.1Very low125 Ų125153.2 Ų153.277%0.76784%0.836SS**  cis-150.9118.2-1.5-16.20000104.6
358D25.2Very low30.2Very low146 Ų146146.6 Ų146.678%0.78182%0.824SS**  91.2156.192-156.17.6000113.3
359E27.6Very low30.6Very low179 Ų179148.9 Ų148.984%0.83683%0.825SS**  trans60.3166.1-175.8-60.6-143.9116.200116.6
360S31Very low30.7Very low114 Ų114143.8 Ų143.880%0.79782%0.815SS**  cis-171.6166.7-36.7-174.90000107.4
361G27.4Very low30.7Very low72 Ų72143.5 Ų143.574%0.74281%0.813SS**  trans117.6126.8165.400000117.1
362D38Very low30.5Very low160 Ų160143.3 Ų143.386%0.85681%0.812SS**  trans-83.6154.7167.6-62.1-86.5000111.7
363E31.4Very low30.2Very low193 Ų193145.7 Ų145.790%0.90282%0.818SS**  trans-159.2151.3138.5-123.4173.2-162.700113.2
364I41.2Very low30.3Very low149 Ų149142.8 Ų142.876%0.76481%0.814SS**  trans-123.5119.9-175-61.5166.5000110
365P34.1Very low30.5Very low124 Ų124142 Ų14281%0.80581%0.812SS**PPolyproline II helixtrans-77.9139.3162.9-16.832.7000112
366Q32.9Very low30.6Very low188 Ų188137.2 Ų137.288%0.87981%0.809SS**PPolyproline II helixtrans-84170.3-172.6-69.2178.1-34.300114.8
367L34Very low30.6Very low170 Ų170141 Ų14189%0.8982%0.817SS**PPolyproline II helixtrans-71.4141.8172-66164.6000112.2
368V32Very low30.7Very low123 Ų123144.5 Ų144.575%0.74583%0.825SS**  trans-135.6117.2158-168.70000109.1I370V368-I370 HydrophobicContact CG1-CD1 4.41Å; V368-I370 HydrophobicContact CG1-CG1 4.34Å
369P34.8Very low30.9Very low123 Ų123144.9 Ų144.980%0.79983%0.827SS**  trans-96.5124178.533.2-28.4000112
370I32.3Very low30.9Very low155 Ų155143.5 Ų143.580%0.79583%0.83SS**  trans-131.3133.9178-66.2-179.8000111.6V368V368-I370 HydrophobicContact CG1-CD1 4.41Å; V368-I370 HydrophobicContact CG1-CG1 4.34Å
371G27.2Very low30.8Very low68 Ų68144.8 Ų144.870%0.70182%0.823SS**  trans57.5116.1136.300000120.4
372K29Very low30.9Very low210 Ų210149.5 Ų149.591%0.91383%0.83SS**  trans-76.4127.2159.2-59.4173.9-178.4176.30110.2
373T25.2Very low30.6Very low138 Ų138148.4 Ų148.485%0.84782%0.819SS**  trans-148107.7154.947.20000111.6
374T29.5Very low30.5Very low137 Ų137147.7 Ų147.784%0.8481%0.813SS**  trans-92.514214848.30000107.2
375P32.6Very low29.9Very low123 Ų123148.3 Ų148.380%0.79981%0.813SS**  -151154.393.438.9-23000115.9
376A26.5Very low29.8Very low97 Ų97147.3 Ų147.380%0.80282%0.815SS**  trans-174.7126138.900000108.7
377N28.3Very low29.5Very low168 Ų168145.6 Ų145.690%0.89882%0.817SS**  trans-103.8153164.3-83.7-4000108.6
378E25.6Very low29.2Very low198 Ų198140.7 Ų140.793%0.92581%0.808SS**  trans-120.8151.3163.8-162.9162.9-144.200108.9
379N28.6Very low29.1Very low154 Ų154144.2 Ų144.282%0.82481%0.813SS**  trans-84149-157.1-72.2-36.5000115.1
380V28.4Very low28.9Very low149 Ų149148 Ų14890%0.90382%0.817SS**  trans-130.7127.4136.1-178.20000110
381E27.3Very low28.7Very low141 Ų141145.9 Ų145.966%0.65982%0.816SS**  trans-46.6150.3174.6175.7175.8-157.200117.7Q383E381-Q383 PolarHBondContact OE1-NE2 2.82Å
382I31.3Very low29.4Very low171 Ų171147.5 Ų147.588%0.87781%0.814SS**  trans-163.5146.8135.4-100.2154.5000109.3
383Q31.4Very low29.3Very low137 Ų137143.3 Ų143.364%0.6481%0.806SS**  trans-100151-175.2-54.4169.914.500111.9E381E381-Q383 PolarHBondContact OE1-NE2 2.82Å
384K29.2Very low29.4Very low178 Ų178146.6 Ų146.677%0.77481%0.809SS**  172.7147.8111-89.3-171.5-178.5-174.70115.2
385H29Very low29.2Very low162 Ų162145 Ų14575%0.7580%0.804SS**  trans-29.7143.7180-28.2-80.8000121.1
386A30.8Very low29.4Very low104 Ų104145 Ų14586%0.8680%0.803SS**  -166.9159.7128.200000112.8
387T26.8Very low29.3Very low151 Ų151147.4 Ų147.493%0.92680%0.803SS**  trans-98.2149.5-162.8-31.30000114.9
388G27.1Very low30.3Very low67 Ų67144.9 Ų144.969%0.69180%0.796SS**  trans121.8103.213300000121.9
389K30.4Very low30.3Very low198 Ų198141.4 Ų141.486%0.86179%0.793SS**  trans57.5122.5140.8-73.8177.5177.6171.30122.7
390K30.1Very low30.3Very low203 Ų203140.3 Ų140.388%0.88379%0.792SS**  trans78.7135.3139.4-68.4-173.3173.6-170.70121.1
391S28Very low31Very low109 Ų109138.1 Ų138.176%0.76278%0.781SS**  trans-96.9-172.5166.458.80000109.3
392P43.5Very low31Very low102 Ų102143.2 Ų143.266%0.66279%0.794SS**  cis-147.3175.715.742.4-20.5000120
393T26.3Very low30.8Very low122 Ų122138 Ų13875%0.74878%0.783SS**  trans50.1120.514851.60000122.1
394K27.2Very low30.8Very low207 Ų207141.6 Ų141.690%0.980%0.797SS**  -173.7149.695.3-104.3176.6-178.9175.30114.1
395S26Very low30.8Very low105 Ų105141.8 Ų141.873%0.73480%0.797SS**  trans-100.2178.416055.10000108.6
396P36.5Very low30.9Very low121 Ų121144.8 Ų144.879%0.78680%0.802SS**  cis-144.2-173.217.543.4-22000118.3
397N24.1Very low30.9Very low149 Ų149149.9 Ų149.980%0.79781%0.805SS**  trans-55.3-175.5159.5-71.4-27000114.6
398P48.6Very low31.1Very low115 Ų115146.7 Ų146.775%0.74779%0.793SS**  cis-134.2-180-29.130.1-10.3000114
399S26.3Very low31.3Very low124 Ų124151.3 Ų151.387%0.86780%0.801SS**  -173.9145.9125.434.30000115.8
400T28.3Very low31.4Very low132 Ų132147.6 Ų147.681%0.8180%0.798SS**  trans-97.8-176.717517.70000111
401P42.1Very low31.3Very low102 Ų102142.9 Ų142.966%0.66280%0.797SS**  cis-139-170.9-21.936.2-16.4000114.7
402R27.4Very low31.2Very low248 Ų248142.8 Ų142.894%0.93680%0.796SS**  trans68.3139.7158-68.8171.5169.4-172.1-2.5117.4
403G26.9Very low30.4Very low63 Ų63146.6 Ų146.665%0.64981%0.805SS**  cis157.1170.9-7.700000113.8
404K33.4Very low30.6Very low212 Ų212147.3 Ų147.392%0.92281%0.809SS**  trans76.9151-175-51.7171.5-175.91730114.7
405K29.1Very low31.1Very low181 Ų181143 Ų14379%0.78780%0.802SS**  cis-167.6140.4-42.8-131.5179.6-178.3174.90109.5
406R29.5Very low31Very low226 Ų226147.2 Ų147.285%0.85381%0.807SS**  trans61115.9160.9-63.8174.1165.2173.7-7.1119.3
407K31.6Very low30.7Very low211 Ų211146 Ų14692%0.91781%0.808SS**  -161.8157.4103.3-114.1179.9178.7-178.60111.9
408A31Very low31Very low83 Ų83143.3 Ų143.369%0.68681%0.806SS**  trans-130.9168.4162.700000105.8
409L30.8Very low29.9Very low164 Ų164146.5 Ų146.586%0.85981%0.811SS**  cis-134.5171.412-71.8158.7000109.4
410P32.4Very low30Very low121 Ų121146.8 Ų146.879%0.78681%0.808SS**  trans-98.4173.7173.838.6-34.8000114.7
411A27.5Very low30.6Very low104 Ų104146.7 Ų146.786%0.8681%0.809SS**  trans106.288.1151.600000120.6
412S27.6Very low29.8Very low106 Ų106145.2 Ų145.274%0.74181%0.813SS**  trans-159152.4138.854.30000106.5
413E26.9Very low29.8Very low183 Ų183143.8 Ų143.886%0.85581%0.814SS**  cis-155.5169-0.8-122.7158.4-130.900109.2
414T29.6Very low29.7Very low136 Ų136144.2 Ų144.283%0.83482%0.818SS**  trans-134.7160.1176.527.60000111.8
415P37Very low30.2Very low116 Ų116140.8 Ų140.875%0.75382%0.817SS**  trans-112.4-174.9-130.142.5-39.6000118
416K24.6Very low30.1Very low194 Ų194136 Ų13684%0.84382%0.819SS**  trans-22.2136.4164.2-62.1177.1179.4-179.80115.2
417A29.3Very low30.3Very low96 Ų96135.1 Ų135.179%0.79382%0.821SS**  71.2129.954.200000113.7
418A30.3Very low30.3Very low93 Ų93135.3 Ų135.377%0.76982%0.822SS**  cis-138.2-133.3-700000111
419E26.8Very low30.3Very low182 Ų182143.5 Ų143.585%0.8584%0.835SS**  cis-139.7-114.69.6-73.2-176.579.100113
420T28.5Very low30.2Very low129 Ų129144.8 Ų144.879%0.79183%0.834SS**  trans-157.7-177.4-160.235.60000111.3
421P40.5Very low30.1Very low130 Ų130146.9 Ų146.984%0.84484%0.837SS**  cis-132.2176.71.942.3-26.2000116.6
422G25Very low30.3Very low72 Ų72150.2 Ų150.274%0.74283%0.832SS**  trans163.6110.1157.700000119.5
423K27.1Very low30.4Very low218 Ų218153.6 Ų153.695%0.94884%0.836SS**  trans57.9132.2162.7-70.4-178.5175.7176.60120.5
424G24.9Very low30.4Very low72 Ų72153.5 Ų153.574%0.74284%0.836SS**  trans-103.5-150.6162.600000112
425P43.9Very low30.5Very low139 Ų139151.4 Ų151.490%0.90383%0.832SS**  cis-133.5176.87.142.5-26.6000115.6
426G28.2Very low30Very low80 Ų80153.2 Ų153.283%0.82584%0.841SS**  trans176104.4169.400000118.7
427K33Very low30.3Very low208 Ų208152 Ų15290%0.90484%0.835SS**  trans-47141.9178.7-67.8166.4173.5168.40117.3
428K31.7Very low30.3Very low215 Ų215153.4 Ų153.494%0.93583%0.825SS**  -161.7172.7110.4-107.3170.7-175.3179.50112.8
429R30.9Very low30.1Very low256 Ų256157.5 Ų157.597%0.96683%0.826SS**  trans-114.1169-155.9-88.8-176.2170179.5-4.3115.5
430K28.5Very low30.3Very low190 Ų190156.3 Ų156.383%0.82683%0.825SS**  trans-113.4136.4-174.6171.8-173.9-177.4179.40111
431I31Very low31Very low165 Ų165155.9 Ų155.985%0.84683%0.825SS**  trans-139.4115.2157.5-58.8179.6000104.2
432K30.8Very low30.5Very low175 Ų175154.2 Ų154.276%0.76182%0.816SS**  94.7143.552.8-141-163.4-178.4-148.90111.3
433E29.2Very low30.8Very low176 Ų176158.4 Ų158.482%0.82282%0.821SS**  trans-134.1147.8-159.9167.1-174.3-164.400107.6
434E27.9Very low30.8Very low182 Ų182152 Ų15285%0.8582%0.816SS**  trans-153.6154.1170.8-150.8153.3-107.300110.1
435A30.9Very low31.3Very low91 Ų91157.4 Ų157.475%0.75282%0.819SS**  trans-131.3150.6-162.700000113.6
436V28Very low30.6Very low155 Ų155160.7 Ų160.794%0.93982%0.819SS**  trans-131.1158.6168.8-176.80000108.9
437K30Very low30.8Very low167 Ų167164.4 Ų164.473%0.72682%0.82SS**  trans-127.5151.7-145.9-161.3-161.3-168.6-146.70112.6
438E29.2Very low30.9Very low126 Ų126159.6 Ų159.659%0.58982%0.819SS**  trans62.7141.5159.9-88.2168.1-130.500117.4
439K26.3Very low31Very low180 Ų180160.9 Ų160.978%0.78382%0.818SS**  cis-159157.735.3-118.9146.4-174.3169.50111.6
440N30Very low31.2Very low156 Ų156157.8 Ų157.883%0.83482%0.815SS**  trans-106.4154.8157.6-83.6-41.7000109
441P43Very low31.7Very low120 Ų120155 Ų15578%0.77981%0.813SS**  -146172.9105.338.4-24.3000113.3
442S31.3Very low31.9Very low95 Ų95153 Ų15366%0.66481%0.811SS**  cis-176.2144.3-34.859.50000108.7
443L30.6Very low32.1Very low161 Ų161154.6 Ų154.684%0.84382%0.818SS**  trans55.5116.6154.3-65.1167.7000120.3
444G27Very low32.3Very low82 Ų82155.7 Ų155.785%0.84582%0.821SS**  trans-152.992.6159.300000111.1
445K35.3Very low32.7Very low187 Ų187153.1 Ų153.181%0.81382%0.819SS**  trans-84.8138.3-179.6-67.6-177.5179.5179.80111.8
446K30.6Very low32.6Very low207 Ų207152.4 Ų152.490%0.982%0.821SS**  trans-165.9125.7135.8-114.1170.1-176.5176.90112.2
447D31.9Very low32.8Very low159 Ų159149 Ų14985%0.8581%0.809SS**  trans-78.3146.4172.1-65.9-90.2000112.2
448A34.9Very low33Very low106 Ų106151.6 Ų151.688%0.87681%0.814SS**  trans-146.590.1164.400000110.3
449R32.8Very low33Very low243 Ų243154 Ų15492%0.91782%0.823SS**  trans-78.6119.4-179.5176.8-168.2-174-1635.4111.2
450Q35.2Very low33.1Very low191 Ų191154.2 Ų154.289%0.89382%0.824SS**  trans-157.8157151.7-121169.694.300114.3
451T38.8Very low33.2Very low130 Ų130152.8 Ų152.880%0.79882%0.821SS**  trans-100.6167.4-164.619.80000113.4
452P37.1Very low32.6Very low124 Ų124153.3 Ų153.381%0.80582%0.823SS**  trans-82.5156.6-157.432.3-37.6000115.3
453K34.3Very low32.5Very low209 Ų209157.3 Ų157.391%0.90984%0.835SS**  trans-111.1146.9164.9-71.5-175.9177.3177.70110.9
454K34.2Very low32.5Very low199 Ų199154.1 Ų154.187%0.86583%0.827SS**PPolyproline II helixtrans-68.3154.8-173.7-74.9179.3176.8176.40112.9
455P36Very low32.8Very low127 Ų127160.1 Ų160.183%0.82583%0.83SS**PPolyproline II helixtrans-66.3137.4171.628.9-35.2000111.5
456G28Very low32.6Very low76 Ų76156 Ų15678%0.78482%0.824SS**PPolyproline II helixtrans-78.2124.5173.300000111.5
457A33.2Very low32.5Very low83 Ų83153.1 Ų153.169%0.68682%0.824SS**PPolyproline II helixtrans-70.7140.1174.200000111.2F459A457-F459 HydrophobicContact CB-CD2 4.4Å; A457-F459 HydrophobicContact CB-CE2 4.36Å
458R34.3Very low32.5Very low222 Ų222156.8 Ų156.884%0.83883%0.825SS**  trans-125.491162.4-76.3-168.6173.3-166.9-1.9109.8
459F28.1Very low32.3Very low177 Ų177161.8 Ų161.878%0.77683%0.827SS**  trans-66.7135.1157.7-70.1-95.4000108.5A457A457-F459 HydrophobicContact CB-CD2 4.4Å; A457-F459 HydrophobicContact CB-CE2 4.36Å
460F28.4Very low32.1Very low184 Ų184154.4 Ų154.481%0.80782%0.818SS**  trans-125.597.3156-86.5-76.1000107.8
461T31.8Very low31.9Very low126 Ų126150.6 Ų150.677%0.77381%0.813SS**  trans-73.8148.6175.7420000111.1
462T30.2Very low31.8Very low132 Ų132153.1 Ų153.181%0.8182%0.815SS**  trans-58.1145.1172.950.90000112.7
463L29.3Very low32Very low178 Ų178153.4 Ų153.493%0.93282%0.815SS**  trans-126.2132.6151.9-174.262.6000109.5
464S30.7Very low32.3Very low94 Ų94148.9 Ų148.966%0.65781%0.807SS**  trans-139.2125.4-177.756.20000111
465K33.8Very low32.2Very low209 Ų209149.3 Ų149.391%0.90981%0.809SS**  trans166.5159.2163.8-96.5154.4-175.8-179.70107.7
466S31.4Very low32.1Very low99 Ų99152.7 Ų152.769%0.69281%0.81SS**  cis178.6118-27.2161.70000107.5
467V28.7Very low32.3Very low148 Ų148160.9 Ų160.990%0.89782%0.818SS**  trans-133.9122164.2-177.80000109.5
468R31.9Very low32.7Very low235 Ų235162.8 Ų162.889%0.88782%0.823SS**  trans-132.8120.2171.1-87-171.9174.4-169.81.4108.8
469K29.3Very low32.8Very low211 Ų211162 Ų16292%0.91783%0.826SS**  trans161.7148.3155.1-95.7172.3178.9-178.10107.4
470A29.9Very low33.4Very low88 Ų88163 Ų16373%0.72783%0.83SS**  cis-152.4161.4-15.400000109.2
471S29.7Very low34.3Very low111 Ų111160.5 Ų160.578%0.77683%0.832SS**  trans-87.8131.4172.253.30000111.6
472H37.6Very low34.5Very low184 Ų184163.8 Ų163.885%0.85284%0.836SS**  trans-125.7153.5161.8-101.1-98.2000110.8
473T41Very low35.1Very low130 Ų130162.9 Ų162.980%0.79883%0.83SS**  trans-109.7-157-163.955.40000112.1
474P39.9Very low35.9Very low113 Ų113159.9 Ų159.973%0.73482%0.821SS**  -101.6148.2-11825.1-5.9000114.6K476P474-K476 PolarHBondContact O-N 3.22Å
475K33.9Very low36.5Very low209 Ų209163.3 Ų163.391%0.90983%0.827SS**  trans-73.5109.2178.4-154170.9-170.6175.60110.7
476K33.4Very low36.8Very low197 Ų197158.7 Ų158.786%0.85782%0.821SS**PPolyproline II helixtrans-62.1144.4177-67.4177.7178.9174.20111.4P474P474-K476 PolarHBondContact O-N 3.22Å
477W32.1Very low37.2Very low248 Ų248162.4 Ų162.494%0.93986%0.857SS**PPolyproline II helixtrans-85.5140.4160.5-76.5-1.2000110.5
478P42Very low37.6Very low124 Ų124163.2 Ų163.281%0.80586%0.855SS**PPolyproline II helixtrans-73.7142.717330.7-33.7000111.3
479K34.5Very low37.9Very low204 Ų204159.4 Ų159.489%0.88785%0.854SS**PPolyproline II helixtrans-81140.6170.9-62-179.7-180178.60109.6
480K42Very low38.4Very low200 Ų200156.5 Ų156.587%0.8785%0.85SS**PPolyproline II helixtrans-81.1139.8162.1-66.6-171.1176.7-170.90109.8
481P47.6Very low38.9Very low131 Ų131160.5 Ų160.585%0.85186%0.858SS**  trans-72.7174.2165.532.5-34.4000111.5
482K36Very low39.5Very low194 Ų194163.6 Ų163.684%0.84386%0.863SS**  trans-154.3160.9-175.4-166.3-171.1178.5-168.90109.7
483V42.1Very low39.6Very low113 Ų113162.3 Ų162.369%0.68586%0.863SS**  trans79.9147.2174.1-171.40000113
484P46.9Very low39.5Very low115 Ų115164.6 Ų164.675%0.74787%0.868SS**  cis-92.7172.6-10.26.616.4000111.8
485Q42.8Very low39.5Very low167 Ų167168.5 Ų168.578%0.7888%0.878SS**  cis94.5113.519.5-163.5174.6-0.200115.8
486S40.8Very low39.9Very low112 Ų112165.2 Ų165.278%0.78388%0.876SS**  trans63108.7162.6-61.10000120.2
487A38.9Very low40.5Very low177 Ų177162.3 Ų162.3100%1.46388%0.878SS**  -132.60128.100000106.9

Retrieved 487 of 487 residues in 383.5 ms (Link to these results)