A0A087YM98_POEFO Loading...

Delta-like 2 homolog (Drosophila)

AlphaFold DB , UniProt , Accession A0A087YM98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low35Very low231 Ų231140.5 Ų140.5100%1.13883%0.83SS**  0106.70-77.7-167.7169.500107.4
2L29.5Very low35.1Very low155 Ų155140.6 Ų140.681%0.81282%0.822SS**  72.298.7115.7-99.370.4000111.4
3A30Very low35.2Very low85 Ų85140.9 Ų140.970%0.70282%0.817SS**  63.9126.279.300000111
4I37.4Very low35.1Very low142 Ų142138.1 Ų138.173%0.72881%0.81SS**  -177.3115.486.4-82.8157.7000106.1
5R33.8Very low35.3Very low239 Ų239137.9 Ų137.990%0.90282%0.816SS**  84.9131.692.1-69.1-175.1161.1-173.2-4.7116.3
6G32.4Very low35.4Very low80 Ų80137.6 Ų137.683%0.82582%0.815SS**  trans94.2134.1137.600000114.7
7A36.8Very low36Very low102 Ų102143.4 Ų143.484%0.84382%0.82SS**  cis-159147.44.200000108
8G35.1Very low36Very low73 Ų73143.5 Ų143.575%0.75382%0.817SS**  trans-82.6148.7173.700000112.1
9V38.7Very low36.2Very low150 Ų150143.8 Ų143.891%0.90981%0.813SS**  trans-140.9133.3152178.90000108.3
10L37.8Very low36.4Very low150 Ų150146.2 Ų146.279%0.78581%0.814SS**  trans-62.8137.8-176.5-106.368.6000114.5
11L38.8Very low36.4Very low139 Ų139147.6 Ų147.673%0.72882%0.819SS**  43.4107.9121.8-93.5152.5000119.2
12L35.5Very low36.7Very low141 Ų141140.9 Ų140.974%0.73880%0.8SS**  158.913399.7-88.6160.4000113.7
13L36.7Very low37.3Very low145 Ų145138.5 Ų138.576%0.75979%0.794SS**  trans73.7120.8142.5-79.8152.1000121.7
14S34.2Very low38Very low102 Ų102140.2 Ų140.271%0.71380%0.798SS**  trans105.8110135.4-60.70000117.6V16S14-V16 PolarHBondContact O-N 3.06Å
15C37.7Very low38.1Very low134 Ų134141.2 Ų141.291%0.90580%0.804SS**  trans-52.7119.5170.6-73.80000111.8
16V37.3Very low38.5Very low133 Ų133135.3 Ų135.381%0.80680%0.798SS**  trans-102.6113.4158.5173.30000107.4S14S14-V16 PolarHBondContact O-N 3.06Å
17R44.5Very low39Very low237 Ų237136.5 Ų136.589%0.89480%0.8SS**  trans-84116.3-178.8-173.8-179.4-170.41792.3108.3
18L35.9Very low39.2Very low145 Ų145134.3 Ų134.376%0.75979%0.788SS**  trans-143.9108.5160.7-110.1112.9000111.9
19M40.8Very low39.8Very low150 Ų150140.8 Ų140.874%0.73980%0.798SS**  trans25.3121.2142-52.8-166.4-165.200118.3
20F39.4Very low40.4Very low190 Ų190137.3 Ų137.383%0.83379%0.793SS**  176.8115.897.9-92.3-74.6000107.8
21L37.5Very low41.2Very low177 Ų177133.1 Ų133.193%0.92778%0.776SS**SBendtrans174.7122.9143.9-92.8156.2000110.8
22A40.7Very low42.4Very low90 Ų90133.6 Ų133.674%0.74478%0.779SS**  trans70.6136.2159.700000120
23P41.8Very low43.9Very low104 Ų104128.7 Ų128.768%0.67576%0.757SS**  trans-72.6158.2-17832.4-34.6000111.9L25P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.11Å
24P45.1Very low46.1Very low122 Ų122125.3 Ų125.379%0.79275%0.745SS**  trans-69.7108.8170.130.6-29.6000107.5C26P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.39Å
25L39.3Very low48.5Very low163 Ų163121.3 Ų121.385%0.85372%0.717SS**  trans-71.897.2162.9-80.3164.4000107.1P23 A27P23-L25 PolarHBondContact O-N 2.98Å; P23-L25 VanDerWaalsContact O-N 3.11Å; L25-A27 PolarHBondContact O-N 3.46Å
26C42Very low50.7Low114 Ų114117.2 Ų117.277%0.7769%0.686SS**  trans24.492.5150.2-610000115.8P24 G28P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.39Å; C26-G28 PolarHBondContact O-N 3.29Å
27A43.1Very low52.8Low106 Ų106115.6 Ų115.688%0.87669%0.686SS**  trans-65.994.3139.900000106.5L25 E29L25-A27 PolarHBondContact O-N 3.46Å; A27-E29 PolarHBondContact O-N 3.47Å; A27-E29 VanDerWaalsContact O-N 3.17Å
28G41Very low54.6Low56 Ų56109.4 Ų109.458%0.57768%0.675SS**  trans-69.8102.4168.600000109.1C26 G30C26-G28 PolarHBondContact O-N 3.29Å; G28-G30 VanDerWaalsContact C-N 3.27Å; G28-G30 PolarHBondContact O-N 3.15Å
29E48.8Very low56.9Low208 Ų208103.8 Ų103.897%0.97265%0.646SS**THydrogen-bonded Turntrans-6096150.8-75.1179.6135.900107A27A27-E29 PolarHBondContact O-N 3.47Å; A27-E29 VanDerWaalsContact O-N 3.17Å
30G50.9Low59.1Low78 Ų7897.4 Ų97.480%0.80462%0.616SS**THydrogen-bonded Turntrans158.3-7.917500000119.3G28G28-G30 VanDerWaalsContact C-N 3.27Å; G28-G30 PolarHBondContact O-N 3.15Å
31S54.3Low61.4Low62 Ų6297.2 Ų97.243%0.43461%0.61SS.*  trans-95.9102.3169.158.90000109C33S31-C33 PolarHBondContact O-N 3.04Å
32N63.8Low63.7Low149 Ų14991.8 Ų91.880%0.79759%0.586SS**  trans-64.772.4168.8-176.821.8000109.3S34N32-S34 PolarHBondContact O-N 3.23Å
33C68Low65.7Low38 Ų3888.8 Ų88.826%0.25756%0.557SS.*  trans-85.9101.6-171.3-155.40000109.3S31 C35 C42S31-C33 PolarHBondContact O-N 3.04Å; C33-C35 VanDerWaalsContact C-N 3.26Å; C33-C35 PolarHBondContact O-N 3.12Å; C33-C35 PolarHBondContact SG-SG 2.9Å; C33-C42 HydrophobicContact CB-CB 3.96Å; C33-C42 WeakPolarHBondContact CB-SG 3.45Å; C33-C42 WeakPolarHBondContact SG-CB 3.39Å; C33-C42 CovalentContact SG-SG 2Å; C33-C42 PolarHBondContact SG-SG 3.46Å
34S82.2Confident67.5Low74 Ų7491.8 Ų91.852%0.51757%0.567SS.*  trans-89.416.9-175.4-62.30000113.3N32N32-S34 PolarHBondContact O-N 3.23Å
35C83.7Confident69.2Low17 Ų1794.8 Ų94.812%0.11557%0.569CS.*SBendtrans-69.1158.2-178.7-45.30000111.9C33 A37 S40 C48C33-C35 VanDerWaalsContact C-N 3.26Å; C33-C35 PolarHBondContact O-N 3.12Å; C33-C35 PolarHBondContact SG-SG 2.9Å; C35-A37 PolarHBondContact O-N 2.66Å; C35-A37 VanDerWaalsContact O-N 3.09Å; C35-S40 WeakPolarHBondContact CB-OG 3.27Å; C35-C48 VanDerWaalsContact CA-SG 3.5Å; C35-C48 HydrophobicContact CB-CB 3.74Å; C35-C48 WeakPolarHBondContact CB-SG 3.37Å; C35-C48 WeakPolarHBondContact SG-CA 3.44Å; C35-C48 WeakPolarHBondContact SG-CB 3.21Å; C35-C48 CovalentContact SG-SG 1.99Å; C35-C48 PolarHBondContact SG-SG 3.37Å
36N84.4Confident71Confident49 Ų4988.2 Ų88.226%0.26254%0.54SS..  trans-65112.8172.7-172.1-28.7000110.9T38 N39 S40 L58N36-T38 PolarHBondContact O-N 2.93Å; N36-T38 PolarHBondContact OD1-N 2.63Å; N36-T38 PolarHBondContact OD1-OG1 3.23Å; N36-N39 PolarHBondContact ND2-ND2 3.06Å; N36-N39 PolarHBondContact O-N 3.36Å; N36-S40 PolarHBondContact O-N 2.8Å; N36-S40 PolarHBondContact O-OG 3.08Å; N36-L58 WeakPolarHBondContact CB-O 3.3Å; N36-L58 PolarHBondContact N-O 2.81Å
37A80.9Confident73Confident98 Ų9887 Ų8781%0.8153%0.529SS*.THydrogen-bonded Turntrans-62.8-15.3-174.700000114.8C35C35-A37 PolarHBondContact O-N 2.66Å; C35-A37 VanDerWaalsContact O-N 3.09Å
38T83.1Confident75.2Confident108 Ų10883 Ų8366%0.66349%0.494SS*.THydrogen-bonded Turntrans-96.2-21.8-178.948.20000114.2N36N36-T38 PolarHBondContact O-N 2.93Å; N36-T38 PolarHBondContact OD1-N 2.63Å; N36-T38 PolarHBondContact OD1-OG1 3.23Å
39N84.2Confident77.5Confident27 Ų2787.9 Ų87.914%0.14450%0.495CS..THydrogen-bonded Turntrans-132.116.4-166.1-57.9-34.5000113.1N36 D51 W54N36-N39 PolarHBondContact ND2-ND2 3.06Å; N36-N39 PolarHBondContact O-N 3.36Å; N39-D51 WeakPolarHBondContact CA-OD2 3.23Å; N39-D51 WeakPolarHBondContact O-CB 3.42Å; N39-D51 PolarHBondContact O-N 3.26Å; N39-W54 HydrophobicContact CB-CB 4.48Å; N39-W54 HydrophobicContact CB-CD2 3.68Å; N39-W54 HydrophobicContact CB-CE3 4.27Å; N39-W54 HydrophobicContact CB-CG 3.74Å; N39-W54 HydrophobicContact CB-CZ2 4.39Å; N39-W54 VanDerWaalsContact CG-CZ2 3.47Å; N39-W54 VanDerWaalsContact ND2-CE2 3.28Å; N39-W54 WeakPolarHBondContact ND2-CH2 3.42Å; N39-W54 WeakPolarHBondContact ND2-CZ2 3.27Å; N39-W54 WeakPolarHBondContact ND2-CZ3 3.41Å
40S86.4Confident79.6Confident16 Ų1680.1 Ų80.111%0.11246%0.464CS..EExtended strand (participates in β ladder)trans-156.9164.8-177.370.30000113.8C35 N36 R49 D51 C59C35-S40 WeakPolarHBondContact CB-OG 3.27Å; N36-S40 PolarHBondContact O-N 2.8Å; N36-S40 PolarHBondContact O-OG 3.08Å; S40-R49 CarbonylContact C-O 3.57Å; S40-R49 VanDerWaalsContact CA-O 3.3Å; S40-R49 WeakPolarHBondContact CA-O 3.41Å; S40-R49 WeakPolarHBondContact CB-O 3.34Å; S40-D51 PolarHBondContact N-OD2 3.4Å; S40-C59 VanDerWaalsContact CB-SG 3.54Å
41R87.9Confident81.6Confident186 Ų18678.8 Ų78.870%0.70244%0.438SS*.EExtended strand (participates in β ladder)trans-126.7139.8171.5-58.5179.9-174.1-128-1.9109.3R49R41-R49 PolarHBondContact N-O 3.48Å; R41-R49 PolarHBondContact O-N 2.86Å
42C85.5Confident83.4Confident63 Ų6381.3 Ų81.343%0.42645%0.453SS..EExtended strand (participates in β ladder)trans-85.2137.2174-58.70000109.8C33C33-C42 HydrophobicContact CB-CB 3.96Å; C33-C42 WeakPolarHBondContact CB-SG 3.45Å; C33-C42 WeakPolarHBondContact SG-CB 3.39Å; C33-C42 CovalentContact SG-SG 2Å; C33-C42 PolarHBondContact SG-SG 3.46Å
43D82.6Confident84.7Confident27 Ų2774.5 Ų74.514%0.14442%0.418CS..  trans-88.2175164.670.118.4000112.4F45 G46 V47 R49D43-F45 PolarHBondContact O-N 3.28Å; D43-F45 PolarHBondContact OD1-N 3.15Å; D43-G46 PolarHBondContact O-N 3.4Å; D43-G46 PolarHBondContact OD1-N 3.36Å; D43-V47 PolarHBondContact N-O 2.98Å; D43-V47 VanDerWaalsContact N-O 3.09Å; D43-V47 WeakPolarHBondContact OD1-CB 2.97Å; D43-V47 PolarHBondContact OD1-N 3.35Å; D43-R49 IonicContact OD2-CZ 3.28Å; D43-R49 IonicContact OD2-NE 3.67Å; D43-R49 PolarHBondContact OD2-NE 2.99Å; D43-R49 IonicContact OD2-NH2 3.35Å; D43-R49 PolarHBondContact OD2-NH2 2.04Å
44D79.7Confident86Confident166 Ų16674.8 Ų74.889%0.88841%0.414SS*.THydrogen-bonded Turntrans-62.6-13.2-173.8-56.6-34.4000113.4
45F81.6Confident86.5Confident186 Ų18674 Ų7482%0.81640%0.403SS*.THydrogen-bonded Turntrans-100.54.4176.7-58.1-74.7000113.1D43D43-F45 PolarHBondContact O-N 3.28Å; D43-F45 PolarHBondContact OD1-N 3.15Å
46G75.9Confident86.8Confident25 Ų2574.1 Ų74.126%0.25841%0.408SS..SBendtrans78.316.1-179.700000114.4D43D43-G46 PolarHBondContact O-N 3.4Å; D43-G46 PolarHBondContact OD1-N 3.36Å
47V85Confident87Confident87 Ų8780.3 Ų80.353%0.52744%0.435SS..  trans-89.1136.3177.4-178.30000110.1D43 R49D43-V47 PolarHBondContact N-O 2.98Å; D43-V47 VanDerWaalsContact N-O 3.09Å; D43-V47 WeakPolarHBondContact OD1-CB 2.97Å; D43-V47 PolarHBondContact OD1-N 3.35Å; V47-R49 PolarHBondContact O-N 3.3Å
48C88.2Confident87.4Confident22 Ų2278.5 Ų78.515%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-76123.4179.2-50.10000111.5C35 E57C35-C48 VanDerWaalsContact CA-SG 3.5Å; C35-C48 HydrophobicContact CB-CB 3.74Å; C35-C48 WeakPolarHBondContact CB-SG 3.37Å; C35-C48 WeakPolarHBondContact SG-CA 3.44Å; C35-C48 WeakPolarHBondContact SG-CB 3.21Å; C35-C48 CovalentContact SG-SG 1.99Å; C35-C48 PolarHBondContact SG-SG 3.37Å; C48-E57 VanDerWaalsContact CB-O 3.26Å; C48-E57 WeakPolarHBondContact CB-O 3.42Å; C48-E57 PolarHBondContact SG-O 2.95Å
49R90.6Very high87.8Confident159 Ų15973.3 Ų73.360%0.638%0.38SS*.EExtended strand (participates in β ladder)trans-103.4113.8166.6-62.3-171.8-173.2176.35.8108.9S40 R41 D43 V47S40-R49 CarbonylContact C-O 3.57Å; S40-R49 VanDerWaalsContact CA-O 3.3Å; S40-R49 WeakPolarHBondContact CA-O 3.41Å; S40-R49 WeakPolarHBondContact CB-O 3.34Å; R41-R49 PolarHBondContact N-O 3.48Å; R41-R49 PolarHBondContact O-N 2.86Å; D43-R49 IonicContact OD2-CZ 3.28Å; D43-R49 IonicContact OD2-NE 3.67Å; D43-R49 PolarHBondContact OD2-NE 2.99Å; D43-R49 IonicContact OD2-NH2 3.35Å; D43-R49 PolarHBondContact OD2-NH2 2.04Å; V47-R49 PolarHBondContact O-N 3.3Å
50C92.2Very high88.1Confident46 Ų4677.7 Ų77.731%0.31140%0.399SS..EExtended strand (participates in β ladder)trans-77.4142-174.3-50.40000111.8W54 C59C50-W54 HydrophobicContact CB-CB 4.02Å; C50-W54 WeakPolarHBondContact CB-O 3.02Å; C50-C59 WeakPolarHBondContact CA-SG 3.34Å; C50-C59 HydrophobicContact CB-CB 3.62Å; C50-C59 WeakPolarHBondContact CB-SG 3.03Å; C50-C59 PolarHBondContact N-SG 3.01Å; C50-C59 WeakPolarHBondContact SG-CA 3.19Å; C50-C59 WeakPolarHBondContact SG-CB 3.33Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.49Å
51D92.5Very high88.4Confident50 Ų5083.8 Ų83.827%0.26742%0.42SS..PPolyproline II helixtrans-66.7156.6170.6-71-36.4000110.6N39 S40 G53 W54N39-D51 WeakPolarHBondContact CA-OD2 3.23Å; N39-D51 WeakPolarHBondContact O-CB 3.42Å; N39-D51 PolarHBondContact O-N 3.26Å; S40-D51 PolarHBondContact N-OD2 3.4Å; D51-G53 PolarHBondContact O-N 2.61Å; D51-G53 VanDerWaalsContact O-N 3.12Å; D51-W54 PolarHBondContact O-N 3.07Å
52P93.3Very high88.7Confident114 Ų11476 Ų7674%0.7439%0.393SS*.THydrogen-bonded Turntrans-53.1121-176.5-28.135.6000113.2
53G91.8Very high89.1Confident7 Ų774.9 Ų74.97%0.07239%0.385CS..THydrogen-bonded Turntrans92.411.5-179.900000114.9D51 V63 P76D51-G53 PolarHBondContact O-N 2.61Å; D51-G53 VanDerWaalsContact O-N 3.12Å; G53-V63 PolarHBondContact O-N 2.75Å; G53-P76 WeakPolarHBondContact O-CB 3.47Å; G53-P76 WeakPolarHBondContact O-CG 3.43Å
54W93.4Very high89.8Confident43 Ų4375.9 Ų75.916%0.16339%0.392CS..EExtended strand (participates in β ladder)trans-117.3146168-64.292.6000111N39 C50 D51 R61 C62 P76N39-W54 HydrophobicContact CB-CB 4.48Å; N39-W54 HydrophobicContact CB-CD2 3.68Å; N39-W54 HydrophobicContact CB-CE3 4.27Å; N39-W54 HydrophobicContact CB-CG 3.74Å; N39-W54 HydrophobicContact CB-CZ2 4.39Å; N39-W54 VanDerWaalsContact CG-CZ2 3.47Å; N39-W54 VanDerWaalsContact ND2-CE2 3.28Å; N39-W54 WeakPolarHBondContact ND2-CH2 3.42Å; N39-W54 WeakPolarHBondContact ND2-CZ2 3.27Å; N39-W54 WeakPolarHBondContact ND2-CZ3 3.41Å; C50-W54 HydrophobicContact CB-CB 4.02Å; C50-W54 WeakPolarHBondContact CB-O 3.02Å; D51-W54 PolarHBondContact O-N 3.07Å; W54-R61 CarbonylContact C-O 3.48Å; W54-R61 WeakPolarHBondContact CA-O 3.48Å; W54-C62 HydrophobicContact CE3-CB 4.38Å; W54-C62 HydrophobicContact CZ3-CB 4.22Å; W54-P76 HydrophobicContact CD2-CG 4.16Å; W54-P76 VanDerWaalsContact CE2-CG 3.44Å; W54-P76 HydrophobicContact CG-CG 4.39Å; W54-P76 HydrophobicContact CZ2-CG 3.74Å; W54-P76 VanDerWaalsContact NE1-CG 3.32Å
55D92.8Very high90.4Very high57 Ų5770.7 Ų70.731%0.30536%0.363SS..EExtended strand (participates in β ladder)trans-138.5177.5177.68329.9000113.1C59 Q60 R61 V63D55-C59 CarbonylContact O-C 3.51Å; D55-C59 WeakPolarHBondContact O-CA 3.2Å; D55-Q60 PolarHBondContact O-N 3.32Å; D55-R61 PolarHBondContact N-O 2.02Å; D55-R61 PolarHBondContact O-N 3.22Å; D55-R61 WeakPolarHBondContact OD1-CB 3.44Å; D55-R61 IonicContact OD1-CZ 3.9Å; D55-R61 IonicContact OD1-NE 3.53Å; D55-R61 PolarHBondContact OD1-NE 2.84Å; D55-R61 IonicContact OD1-NH1 3.17Å; D55-R61 PolarHBondContact OD1-NH1 3.41Å; D55-R61 IonicContact OD1-NH2 2.94Å; D55-V63 HydrophobicContact CB-CG2 3.74Å
56G89.7Confident91Very high20 Ų2066.4 Ų66.421%0.20635%0.354CS..SBendtrans91.5163.9-179.300000113L58 C59G56-L58 PolarHBondContact O-N 2.83Å; G56-L58 VanDerWaalsContact O-N 3.1Å; G56-C59 PolarHBondContact O-N 3.47Å
57E89.2Confident91.8Very high180 Ų18067.9 Ų67.984%0.84137%0.369SS*.THydrogen-bonded Turntrans-59.1-28.3-171.8-64.5-180170.800113.4C48C48-E57 VanDerWaalsContact CB-O 3.26Å; C48-E57 WeakPolarHBondContact CB-O 3.42Å; C48-E57 PolarHBondContact SG-O 2.95Å
58L89.7Confident92.3Very high59 Ų5964.9 Ų64.931%0.30935%0.351SS..THydrogen-bonded Turntrans-113.511177.7-55-179.9000113.4N36 G56 Q60N36-L58 WeakPolarHBondContact CB-O 3.3Å; N36-L58 PolarHBondContact N-O 2.81Å; G56-L58 PolarHBondContact O-N 2.83Å; G56-L58 VanDerWaalsContact O-N 3.1Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.44Å
59C91Very high92.6Very high0 Ų068.1 Ų68.10%037%0.371CS..SBendtrans56.238.5179.7-520000114.4S40 C50 D55 G56S40-C59 VanDerWaalsContact CB-SG 3.54Å; C50-C59 WeakPolarHBondContact CA-SG 3.34Å; C50-C59 HydrophobicContact CB-CB 3.62Å; C50-C59 WeakPolarHBondContact CB-SG 3.03Å; C50-C59 PolarHBondContact N-SG 3.01Å; C50-C59 WeakPolarHBondContact SG-CA 3.19Å; C50-C59 WeakPolarHBondContact SG-CB 3.33Å; C50-C59 CovalentContact SG-SG 2.03Å; C50-C59 PolarHBondContact SG-SG 3.49Å; D55-C59 CarbonylContact O-C 3.51Å; D55-C59 WeakPolarHBondContact O-CA 3.2Å; G56-C59 PolarHBondContact O-N 3.47Å
60Q90.6Very high92.7Very high118 Ų11863.3 Ų63.355%0.55136%0.355SS*.  trans-103-11.7-175.166.7-1616.500113.2D55 L58D55-Q60 PolarHBondContact O-N 3.32Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.44Å
61R92.5Very high92.7Very high145 Ų14562 Ų6255%0.54735%0.349SS..EExtended strand (participates in β ladder)trans-101133.8178.6-69.7-174.7-71146-11.2108.3W54 D55W54-R61 CarbonylContact C-O 3.48Å; W54-R61 WeakPolarHBondContact CA-O 3.48Å; D55-R61 PolarHBondContact N-O 2.02Å; D55-R61 PolarHBondContact O-N 3.22Å; D55-R61 WeakPolarHBondContact OD1-CB 3.44Å; D55-R61 IonicContact OD1-CZ 3.9Å; D55-R61 IonicContact OD1-NE 3.53Å; D55-R61 PolarHBondContact OD1-NE 2.84Å; D55-R61 IonicContact OD1-NH1 3.17Å; D55-R61 PolarHBondContact OD1-NH1 3.41Å; D55-R61 IonicContact OD1-NH2 2.94Å
62C94.5Very high92.8Very high21 Ų2162.9 Ų62.914%0.14236%0.359CS..EExtended strand (participates in β ladder)trans-75.9149170.4520000109.6W54 C73W54-C62 HydrophobicContact CE3-CB 4.38Å; W54-C62 HydrophobicContact CZ3-CB 4.22Å; C62-C73 HydrophobicContact CB-CB 4.08Å; C62-C73 WeakPolarHBondContact CB-SG 3.49Å; C62-C73 PolarHBondContact O-SG 2.9Å; C62-C73 WeakPolarHBondContact SG-CB 3.03Å; C62-C73 PolarHBondContact SG-O 3.5Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.07Å
63V95.3Very high92.8Very high41 Ų4158.4 Ų58.425%0.24833%0.33CS..PPolyproline II helixtrans-85.4125.4168.7179.70000107.6G53 D55 W77G53-V63 PolarHBondContact O-N 2.75Å; D55-V63 HydrophobicContact CB-CG2 3.74Å; V63-W77 HydrophobicContact CB-CZ3 4.46Å; V63-W77 HydrophobicContact CG1-CE3 4.48Å; V63-W77 HydrophobicContact CG1-CH2 4.28Å; V63-W77 HydrophobicContact CG1-CZ3 3.87Å; V63-W77 PolarHBondContact O-N 3.27Å
64T95.3Very high92.8Very high48 Ų4864.8 Ų64.829%0.29436%0.362SS..PPolyproline II helixtrans-68.2161.6176.252.30000111.2C73 Q78T64-C73 HydrophobicContact CG2-CB 3.89Å; T64-Q78 WeakPolarHBondContact CA-O 3Å
65M94.1Very high92.7Very high57 Ų5767.9 Ų67.928%0.28138%0.378SS..PPolyproline II helixtrans-56.1133.9174.1-167.5172.4-69.200110.4G67 C68 W77 Q78 C79 R88 F89M65-G67 PolarHBondContact O-N 2.76Å; M65-C68 WeakPolarHBondContact O-CB 3.48Å; M65-C68 PolarHBondContact O-N 3.36Å; M65-W77 WeakPolarHBondContact CE-O 3.36Å; M65-Q78 PolarHBondContact N-O 3.35Å; M65-C79 HydrophobicContact CB-CB 4.19Å; M65-R88 HydrophobicContact SD-CG 3.98Å; M65-F89 HydrophobicContact CG-CD1 4.31Å; M65-F89 HydrophobicContact CG-CE1 3.91Å; M65-F89 HydrophobicContact SD-CD1 4.15Å; M65-F89 HydrophobicContact SD-CE1 3.61Å; M65-F89 HydrophobicContact SD-CZ 4.45Å
66P94Very high92.7Very high96 Ų9666.5 Ų66.562%0.62337%0.372SS*.THydrogen-bonded Turntrans-54.5126.6178.4-26.834.6000111.3W77 F89P66-W77 HydrophobicContact CG-CZ3 4.2Å; P66-F89 WeakPolarHBondContact O-CD1 3.38Å; P66-F89 WeakPolarHBondContact O-CE1 3.01Å
67G92.3Very high92.8Very high55 Ų5571.2 Ų71.257%0.56738%0.384SS*.THydrogen-bonded Turntrans93.4-1.5-174.900000115.1M65 V69M65-G67 PolarHBondContact O-N 2.76Å; G67-V69 VanDerWaalsContact O-CG2 3.3Å; G67-V69 WeakPolarHBondContact O-CG2 3.34Å; G67-V69 PolarHBondContact O-N 3.07Å
68C94.9Very high93.1Very high24 Ų2467 Ų6716%0.16236%0.364CS..  trans-60.3115.1172.3-170.60000110.8M65 C79 F89M65-C68 WeakPolarHBondContact O-CB 3.48Å; M65-C68 PolarHBondContact O-N 3.36Å; C68-C79 VanDerWaalsContact CA-SG 3.52Å; C68-C79 HydrophobicContact CB-CB 3.76Å; C68-C79 WeakPolarHBondContact CB-SG 3.21Å; C68-C79 WeakPolarHBondContact SG-CB 3.5Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.91Å; C68-F89 WeakPolarHBondContact CA-O 3.44Å
69V95.1Very high93.3Very high91 Ų9165.1 Ų65.155%0.55236%0.356SS*.SBendtrans-97.5-59.7-176-168.10000111.3G67 F89 D91G67-V69 VanDerWaalsContact O-CG2 3.3Å; G67-V69 WeakPolarHBondContact O-CG2 3.34Å; G67-V69 PolarHBondContact O-N 3.07Å; V69-F89 PolarHBondContact N-O 3.01Å; V69-D91 HydrophobicContact CG2-CB 4.43Å
70H92.8Very high93.5Very high57 Ų5767.4 Ų67.426%0.26438%0.375SS..SBendtrans-11554.9-176.3-55.1100000111.8Q82 W85 C90H70-Q82 WeakPolarHBondContact O-CG 3.42Å; H70-Q82 PolarHBondContact O-N 3.24Å; H70-W85 HydrophobicContact CB-CB 4.02Å; H70-W85 HydrophobicContact CB-CD2 3.65Å; H70-W85 HydrophobicContact CB-CE3 4.3Å; H70-W85 HydrophobicContact CB-CG 3.46Å; H70-W85 VanDerWaalsContact CB-CG 3.46Å; H70-W85 AromaticContact CD2-CE2 3.8Å; H70-W85 AromaticContact CD2-CZ2 3.94Å; H70-W85 AromaticContact CD2-NE1 3.93Å; H70-W85 AromaticContact CE1-CE2 3.7Å; H70-W85 AromaticContact CE1-CE3 3.94Å; H70-W85 AromaticContact CE1-CH2 3.22Å; H70-W85 WeakPolarHBondContact CE1-CH2 3.17Å; H70-W85 AromaticContact CE1-CZ2 3.3Å; H70-W85 WeakPolarHBondContact CE1-CZ2 3.42Å; H70-W85 AromaticContact CE1-CZ3 3.55Å; H70-W85 AromaticContact CG-CD1 4Å; H70-W85 AromaticContact CG-CD2 3.52Å; H70-W85 AromaticContact CG-CE2 3.44Å; H70-W85 VanDerWaalsContact CG-CE2 3.44Å; H70-W85 AromaticContact CG-CE3 3.97Å; H70-W85 AromaticContact CG-CG 3.9Å; H70-W85 AromaticContact CG-CZ2 3.87Å; H70-W85 AromaticContact CG-NE1 3.71Å; H70-W85 AromaticContact ND1-CD2 3.32Å; H70-W85 VanDerWaalsContact ND1-CD2 3.32Å; H70-W85 AromaticContact ND1-CE2 3.4Å; H70-W85 AromaticContact ND1-CE3 3.28Å; H70-W85 VanDerWaalsContact ND1-CE3 3.28Å; H70-W85 AromaticContact ND1-CH2 3.47Å; H70-W85 WeakPolarHBondContact ND1-CH2 3.43Å; H70-W85 AromaticContact ND1-CZ2 3.48Å; H70-W85 WeakPolarHBondContact ND1-CZ2 3.38Å; H70-W85 AromaticContact ND1-CZ3 3.36Å; H70-W85 WeakPolarHBondContact ND1-CZ3 2.99Å; H70-W85 AromaticContact NE2-CE2 3.97Å; H70-W85 AromaticContact NE2-CH2 3.96Å; H70-W85 AromaticContact NE2-CZ2 3.61Å; H70-C90 HydrophobicContact CB-CB 4.36Å; H70-C90 PolarHBondContact N-O 3.29Å; H70-C90 PolarHBondContact ND1-O 3.17Å; H70-C90 WeakPolarHBondContact O-CB 3.49Å
71G91.9Very high93.6Very high18 Ų1864.1 Ų64.119%0.18637%0.365CS..EExtended strand (participates in β ladder)trans-151.8164.5-177.900000113.7A80G71-A80 CarbonylContact C-O 3.59Å; G71-A80 WeakPolarHBondContact CA-O 3.41Å
72S94.4Very high93.4Very high70 Ų7062.1 Ų62.149%0.4936%0.361SS..EExtended strand (participates in β ladder)trans-124.5175.5176.362.70000110.6A80S72-A80 PolarHBondContact N-O 3.04Å; S72-A80 WeakPolarHBondContact O-CB 2.99Å; S72-A80 PolarHBondContact O-N 2.74Å
73C94.4Very high93Very high20 Ų2067.5 Ų67.514%0.13540%0.396CS..  trans-127.8149.7177.7580000111C62 T64 Q75 Q78C62-C73 HydrophobicContact CB-CB 4.08Å; C62-C73 WeakPolarHBondContact CB-SG 3.49Å; C62-C73 PolarHBondContact O-SG 2.9Å; C62-C73 WeakPolarHBondContact SG-CB 3.03Å; C62-C73 PolarHBondContact SG-O 3.5Å; C62-C73 CovalentContact SG-SG 2.03Å; C62-C73 PolarHBondContact SG-SG 3.07Å; T64-C73 HydrophobicContact CG2-CB 3.89Å; C73-Q75 WeakPolarHBondContact CB-O 3.28Å; C73-Q78 HydrophobicContact CB-CB 4.21Å
74L90.6Very high92.1Very high141 Ų14167 Ų6774%0.73840%0.4SS*.SBendtrans-109.6-21.4165.6-65.8176.8000111.5
75Q90.9Very high91.7Very high107 Ų10768 Ų6850%0.540%0.398SS..SBendtrans-132.3155.1170.4-63.8-66.6-53.600109.4C73 Q78C73-Q75 WeakPolarHBondContact CB-O 3.28Å; Q75-Q78 HydrophobicContact CB-CG 4.3Å; Q75-Q78 WeakPolarHBondContact O-CB 3.47Å; Q75-Q78 PolarHBondContact O-N 2.96Å
76P92.6Very high91.2Very high28 Ų2865.7 Ų65.718%0.18239%0.388CS..THydrogen-bonded Turntrans-49.3143.5177.5-29.136.3000113.1G53 W54 Q78G53-P76 WeakPolarHBondContact O-CB 3.47Å; G53-P76 WeakPolarHBondContact O-CG 3.43Å; W54-P76 HydrophobicContact CD2-CG 4.16Å; W54-P76 VanDerWaalsContact CE2-CG 3.44Å; W54-P76 HydrophobicContact CG-CG 4.39Å; W54-P76 HydrophobicContact CZ2-CG 3.74Å; W54-P76 VanDerWaalsContact NE1-CG 3.32Å; P76-Q78 PolarHBondContact O-N 3.04Å
77W93.4Very high90.9Very high120 Ų12063 Ų6346%0.45538%0.378SS..THydrogen-bonded Turntrans63.620.2174.2-43.4113.6000114.7V63 M65 P66V63-W77 HydrophobicContact CB-CZ3 4.46Å; V63-W77 HydrophobicContact CG1-CE3 4.48Å; V63-W77 HydrophobicContact CG1-CH2 4.28Å; V63-W77 HydrophobicContact CG1-CZ3 3.87Å; V63-W77 PolarHBondContact O-N 3.27Å; M65-W77 WeakPolarHBondContact CE-O 3.36Å; P66-W77 HydrophobicContact CG-CZ3 4.2Å
78Q93.8Very high90.7Very high90 Ų9069.4 Ų69.442%0.42139%0.385SS..  trans-97.2158.8169.4-64.4-178.5-9.700111.1T64 M65 C73 Q75 P76T64-Q78 WeakPolarHBondContact CA-O 3Å; M65-Q78 PolarHBondContact N-O 3.35Å; C73-Q78 HydrophobicContact CB-CB 4.21Å; Q75-Q78 HydrophobicContact CB-CG 4.3Å; Q75-Q78 WeakPolarHBondContact O-CB 3.47Å; Q75-Q78 PolarHBondContact O-N 2.96Å; P76-Q78 PolarHBondContact O-N 3.04Å
79C95.1Very high90.6Very high21 Ų2171.8 Ų71.814%0.14239%0.393CS..  trans-140.288.1170-173.50000107.2M65 C68 C90M65-C79 HydrophobicContact CB-CB 4.19Å; C68-C79 VanDerWaalsContact CA-SG 3.52Å; C68-C79 HydrophobicContact CB-CB 3.76Å; C68-C79 WeakPolarHBondContact CB-SG 3.21Å; C68-C79 WeakPolarHBondContact SG-CB 3.5Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.91Å; C79-C90 PolarHBondContact SG-SG 3.2Å
80A93.9Very high90.5Very high48 Ų4867.4 Ų67.440%0.39737%0.366SS..EExtended strand (participates in β ladder)trans-80.9114.6174.200000108.4G71 S72G71-A80 CarbonylContact C-O 3.59Å; G71-A80 WeakPolarHBondContact CA-O 3.41Å; S72-A80 PolarHBondContact N-O 3.04Å; S72-A80 WeakPolarHBondContact O-CB 2.99Å; S72-A80 PolarHBondContact O-N 2.74Å
81C92.8Very high90.4Very high49 Ų4968.7 Ų68.733%0.33138%0.375SS..EExtended strand (participates in β ladder)trans-70.9142.5-172.2-55.40000112.7W85 C90C81-W85 HydrophobicContact CB-CB 4.23Å; C81-W85 WeakPolarHBondContact CB-O 3.43Å; C81-C90 WeakPolarHBondContact CA-SG 3.5Å; C81-C90 HydrophobicContact CB-CB 3.73Å; C81-C90 WeakPolarHBondContact CB-SG 3.02Å; C81-C90 PolarHBondContact N-SG 3.42Å; C81-C90 VanDerWaalsContact N-SG 3.37Å; C81-C90 WeakPolarHBondContact SG-CA 3.42Å; C81-C90 WeakPolarHBondContact SG-CB 3.48Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 3.07Å
82Q90.1Very high90Very high102 Ų10274 Ų7448%0.47739%0.393SS..PPolyproline II helixtrans-64.2154.9165.3-65.8174.1-300110H70 G84 W85H70-Q82 WeakPolarHBondContact O-CG 3.42Å; H70-Q82 PolarHBondContact O-N 3.24Å; Q82-G84 PolarHBondContact O-N 3.12Å; Q82-W85 PolarHBondContact O-N 3.37Å; Q82-W85 VanDerWaalsContact O-N 3.09Å
83P84.3Confident89.5Confident134 Ų13474 Ų7487%0.8739%0.388SS*.THydrogen-bonded Turntrans-51.6136.4174.6-25.734.6000111.8W85P83-W85 VanDerWaalsContact C-N 3.33Å
84G77.8Confident88.8Confident32 Ų3278.1 Ų78.133%0.3341%0.408SS..THydrogen-bonded Turntrans84.3-0.8-177.400000115.2Q82 L94 S95Q82-G84 PolarHBondContact O-N 3.12Å; G84-L94 CarbonylContact O-C 3.6Å; G84-L94 WeakPolarHBondContact O-CA 3.49Å; G84-L94 PolarHBondContact O-N 2.79Å; G84-S95 PolarHBondContact O-N 2.86Å
85W86.9Confident88.3Confident69 Ų6972.3 Ų72.326%0.26138%0.379SS..EExtended strand (participates in β ladder)trans-120.1150.4175.4-66.991.6000112.1H70 C81 Q82 P83 C90 K92 D93H70-W85 HydrophobicContact CB-CB 4.02Å; H70-W85 HydrophobicContact CB-CD2 3.65Å; H70-W85 HydrophobicContact CB-CE3 4.3Å; H70-W85 HydrophobicContact CB-CG 3.46Å; H70-W85 VanDerWaalsContact CB-CG 3.46Å; H70-W85 AromaticContact CD2-CE2 3.8Å; H70-W85 AromaticContact CD2-CZ2 3.94Å; H70-W85 AromaticContact CD2-NE1 3.93Å; H70-W85 AromaticContact CE1-CE2 3.7Å; H70-W85 AromaticContact CE1-CE3 3.94Å; H70-W85 AromaticContact CE1-CH2 3.22Å; H70-W85 WeakPolarHBondContact CE1-CH2 3.17Å; H70-W85 AromaticContact CE1-CZ2 3.3Å; H70-W85 WeakPolarHBondContact CE1-CZ2 3.42Å; H70-W85 AromaticContact CE1-CZ3 3.55Å; H70-W85 AromaticContact CG-CD1 4Å; H70-W85 AromaticContact CG-CD2 3.52Å; H70-W85 AromaticContact CG-CE2 3.44Å; H70-W85 VanDerWaalsContact CG-CE2 3.44Å; H70-W85 AromaticContact CG-CE3 3.97Å; H70-W85 AromaticContact CG-CG 3.9Å; H70-W85 AromaticContact CG-CZ2 3.87Å; H70-W85 AromaticContact CG-NE1 3.71Å; H70-W85 AromaticContact ND1-CD2 3.32Å; H70-W85 VanDerWaalsContact ND1-CD2 3.32Å; H70-W85 AromaticContact ND1-CE2 3.4Å; H70-W85 AromaticContact ND1-CE3 3.28Å; H70-W85 VanDerWaalsContact ND1-CE3 3.28Å; H70-W85 AromaticContact ND1-CH2 3.47Å; H70-W85 WeakPolarHBondContact ND1-CH2 3.43Å; H70-W85 AromaticContact ND1-CZ2 3.48Å; H70-W85 WeakPolarHBondContact ND1-CZ2 3.38Å; H70-W85 AromaticContact ND1-CZ3 3.36Å; H70-W85 WeakPolarHBondContact ND1-CZ3 2.99Å; H70-W85 AromaticContact NE2-CE2 3.97Å; H70-W85 AromaticContact NE2-CH2 3.96Å; H70-W85 AromaticContact NE2-CZ2 3.61Å; C81-W85 HydrophobicContact CB-CB 4.23Å; C81-W85 WeakPolarHBondContact CB-O 3.43Å; Q82-W85 PolarHBondContact O-N 3.37Å; Q82-W85 VanDerWaalsContact O-N 3.09Å; P83-W85 VanDerWaalsContact C-N 3.33Å; W85-C90 HydrophobicContact CB-CB 4.27Å; W85-K92 CarbonylContact C-O 3.4Å; W85-K92 WeakPolarHBondContact CA-O 3.44Å; W85-D93 HydrophobicContact CE3-CB 4.36Å; W85-D93 HydrophobicContact CH2-CB 4.06Å; W85-D93 HydrophobicContact CZ3-CB 3.88Å
86G83.8Confident88Confident7 Ų769.5 Ų69.57%0.07237%0.369CS..EExtended strand (participates in β ladder)trans-155.8-173.117900000113.4C90 D91 K92G86-C90 CarbonylContact O-C 3.58Å; G86-C90 VanDerWaalsContact O-CA 3.32Å; G86-C90 WeakPolarHBondContact O-CA 3.01Å; G86-D91 PolarHBondContact O-N 2.93Å; G86-K92 PolarHBondContact N-O 3.32Å; G86-K92 WeakPolarHBondContact O-CB 3.45Å; G86-K92 PolarHBondContact O-N 2.86Å
87G86.8Confident87.7Confident39 Ų3969.4 Ų69.440%0.40237%0.369SS..THydrogen-bonded Turntrans86.4169-165.900000111.8F89 C90G87-F89 PolarHBondContact O-N 2.03Å; G87-C90 PolarHBondContact O-N 2.9Å
88R88.5Confident87.3Confident191 Ų19166.7 Ų66.772%0.72137%0.368SS*.THydrogen-bonded Turntrans-64.3-25.7-176.9-177.5-179.8-68.5-176.1-1.1112.5M65M65-R88 HydrophobicContact SD-CG 3.98Å
89F93.3Very high87Confident73 Ų7369.8 Ų69.832%0.3238%0.382SS..THydrogen-bonded Turntrans-1149.8-176.8-56.2-66.9000112.7M65 P66 C68 V69 G87 D91M65-F89 HydrophobicContact CG-CD1 4.31Å; M65-F89 HydrophobicContact CG-CE1 3.91Å; M65-F89 HydrophobicContact SD-CD1 4.15Å; M65-F89 HydrophobicContact SD-CE1 3.61Å; M65-F89 HydrophobicContact SD-CZ 4.45Å; P66-F89 WeakPolarHBondContact O-CD1 3.38Å; P66-F89 WeakPolarHBondContact O-CE1 3.01Å; C68-F89 WeakPolarHBondContact CA-O 3.44Å; V69-F89 PolarHBondContact N-O 3.01Å; G87-F89 PolarHBondContact O-N 2.03Å; F89-D91 HydrophobicContact CB-CB 4.29Å; F89-D91 PolarHBondContact O-N 3.35Å
90C92.1Very high86.7Confident0 Ų076.5 Ų76.50%041%0.411CS..THydrogen-bonded Turntrans52.238.5-175.5-49.30000112.4H70 C79 C81 W85 G86 G87H70-C90 HydrophobicContact CB-CB 4.36Å; H70-C90 PolarHBondContact N-O 3.29Å; H70-C90 PolarHBondContact ND1-O 3.17Å; H70-C90 WeakPolarHBondContact O-CB 3.49Å; C79-C90 PolarHBondContact SG-SG 3.2Å; C81-C90 WeakPolarHBondContact CA-SG 3.5Å; C81-C90 HydrophobicContact CB-CB 3.73Å; C81-C90 WeakPolarHBondContact CB-SG 3.02Å; C81-C90 PolarHBondContact N-SG 3.42Å; C81-C90 VanDerWaalsContact N-SG 3.37Å; C81-C90 WeakPolarHBondContact SG-CA 3.42Å; C81-C90 WeakPolarHBondContact SG-CB 3.48Å; C81-C90 CovalentContact SG-SG 2.03Å; C81-C90 PolarHBondContact SG-SG 3.07Å; W85-C90 HydrophobicContact CB-CB 4.27Å; G86-C90 CarbonylContact O-C 3.58Å; G86-C90 VanDerWaalsContact O-CA 3.32Å; G86-C90 WeakPolarHBondContact O-CA 3.01Å; G87-C90 PolarHBondContact O-N 2.9Å
91D90.6Very high86.6Confident84 Ų8475.6 Ų75.645%0.44940%0.402SS..  trans-101.8-12.7-176.261.5-43.9000112.2V69 G86 F89V69-D91 HydrophobicContact CG2-CB 4.43Å; G86-D91 PolarHBondContact O-N 2.93Å; F89-D91 HydrophobicContact CB-CB 4.29Å; F89-D91 PolarHBondContact O-N 3.35Å
92K84.5Confident86.7Confident129 Ų12974 Ų7456%0.56139%0.391SS*.EExtended strand (participates in β ladder)trans-93.5120.6174.8-59-174.5177.3-175.10109.9W85 G86 L94W85-K92 CarbonylContact C-O 3.4Å; W85-K92 WeakPolarHBondContact CA-O 3.44Å; G86-K92 PolarHBondContact N-O 3.32Å; G86-K92 WeakPolarHBondContact O-CB 3.45Å; G86-K92 PolarHBondContact O-N 2.86Å; K92-L94 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact O-N 3.17Å
93D82.4Confident86.9Confident71 Ų7172.6 Ų72.638%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-69.6108.5169.5-169.6-40.6000108.5W85 S95 S98W85-D93 HydrophobicContact CE3-CB 4.36Å; W85-D93 HydrophobicContact CH2-CB 4.06Å; W85-D93 HydrophobicContact CZ3-CB 3.88Å; D93-S95 VanDerWaalsContact C-N 3.35Å; D93-S95 WeakPolarHBondContact OD1-CA 3.35Å; D93-S95 WeakPolarHBondContact OD1-CB 3.17Å; D93-S95 PolarHBondContact OD1-N 2.03Å; D93-S95 PolarHBondContact OD1-OG 2.03Å; D93-S98 PolarHBondContact OD1-OG 3.34Å; D93-S98 PolarHBondContact OD2-OG 3.49Å
94L80.1Confident87.4Confident106 Ų10669.9 Ų69.956%0.55536%0.364SS*.  trans-95.810.9174.7-65.4-174.1000111.7G84 K92G84-L94 CarbonylContact O-C 3.6Å; G84-L94 WeakPolarHBondContact O-CA 3.49Å; G84-L94 PolarHBondContact O-N 2.79Å; K92-L94 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact O-N 3.17Å
95S80.4Confident88Confident19 Ų1971.8 Ų71.813%0.13338%0.384CS..  trans-6214517575.90000110G84 D93 C97 S98G84-S95 PolarHBondContact O-N 2.86Å; D93-S95 VanDerWaalsContact C-N 3.35Å; D93-S95 WeakPolarHBondContact OD1-CA 3.35Å; D93-S95 WeakPolarHBondContact OD1-CB 3.17Å; D93-S95 PolarHBondContact OD1-N 2.03Å; D93-S95 PolarHBondContact OD1-OG 2.03Å; S95-C97 PolarHBondContact O-N 2.85Å; S95-S98 WeakPolarHBondContact O-CB 3.04Å; S95-S98 PolarHBondContact O-N 3.21Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.48Å
96V84.3Confident88.4Confident48 Ų4869.2 Ų69.229%0.29138%0.378SS..G310 helixtrans-61-31.1177.1-176.50000110.2S98 Q99 P101 M110 F116V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 2.77Å; V96-Q99 WeakPolarHBondContact O-CB 3.22Å; V96-Q99 PolarHBondContact O-N 2.81Å; V96-P101 HydrophobicContact CG1-CG 4.33Å; V96-P101 VanDerWaalsContact O-CD 3.23Å; V96-P101 WeakPolarHBondContact O-CD 3.06Å; V96-P101 WeakPolarHBondContact O-CG 3.39Å; V96-M110 HydrophobicContact CB-SD 4.48Å; V96-F116 HydrophobicContact CB-CB 4.49Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CG 4.45Å; V96-F116 HydrophobicContact CG1-CD1 3.49Å; V96-F116 VanDerWaalsContact CG1-CD1 3.49Å; V96-F116 HydrophobicContact CG1-CE1 3.75Å; V96-F116 HydrophobicContact CG1-CG 4Å; V96-F116 HydrophobicContact CG1-CZ 4.46Å
97C87.4Confident89Confident26 Ų2672.8 Ų72.818%0.17640%0.398CS..G310 helixtrans-65.3-30.3177.4-69.50000114.4S95 Q99 Q100 C108 M110S95-C97 PolarHBondContact O-N 2.85Å; C97-Q99 PolarHBondContact O-N 2.04Å; C97-Q100 PolarHBondContact O-N 2.95Å; C97-C108 WeakPolarHBondContact CA-SG 3.32Å; C97-C108 HydrophobicContact CB-CB 3.7Å; C97-C108 WeakPolarHBondContact CB-SG 3.02Å; C97-C108 WeakPolarHBondContact SG-CB 3.31Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.22Å; C97-M110 HydrophobicContact CB-SD 4.33Å; C97-M110 VanDerWaalsContact SG-SD 3.66Å
98S85Confident89.3Confident62 Ų6272.5 Ų72.543%0.43439%0.389SS..G310 helixtrans-63.6-21.2176-71.20000113.4D93 S95 V96 Q100D93-S98 PolarHBondContact OD1-OG 3.34Å; D93-S98 PolarHBondContact OD2-OG 3.49Å; S95-S98 WeakPolarHBondContact O-CB 3.04Å; S95-S98 PolarHBondContact O-N 3.21Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact OG-N 3.26Å; S95-S98 PolarHBondContact OG-OG 3.48Å; V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 2.77Å; S98-Q100 PolarHBondContact O-N 3.44Å
99Q86.8Confident89.4Confident155 Ų15566.1 Ų66.172%0.72437%0.37SS*.G310 helixtrans-80.42173.9-55.3-178.817.600113V96 C97V96-Q99 WeakPolarHBondContact O-CB 3.22Å; V96-Q99 PolarHBondContact O-N 2.81Å; C97-Q99 PolarHBondContact O-N 2.04Å
100Q88.7Confident89Confident162 Ų16266.7 Ų66.776%0.75737%0.374SS*.  trans51.752.1-177.9-57.7178.8-11.500113.6C97 S98 C102C97-Q100 PolarHBondContact O-N 2.95Å; S98-Q100 PolarHBondContact O-N 3.44Å; Q100-C102 VanDerWaalsContact C-N 3.26Å; Q100-C102 PolarHBondContact O-N 3.48Å
101P92.6Very high88.7Confident29 Ų2970.3 Ų70.319%0.18839%0.391CS..  trans-70.2-24.2-177.331.3-37.5000112.8V96 F116 T128V96-P101 HydrophobicContact CG1-CG 4.33Å; V96-P101 VanDerWaalsContact O-CD 3.23Å; V96-P101 WeakPolarHBondContact O-CD 3.06Å; V96-P101 WeakPolarHBondContact O-CG 3.39Å; P101-F116 HydrophobicContact CB-CD2 4.43Å; P101-F116 HydrophobicContact CB-CE2 3.66Å; P101-F116 HydrophobicContact CB-CZ 3.81Å; P101-F116 HydrophobicContact CG-CD2 3.81Å; P101-F116 HydrophobicContact CG-CE2 3.53Å; P101-F116 HydrophobicContact CG-CZ 4.05Å; P101-T128 WeakPolarHBondContact O-CB 3Å
102C95.3Very high88.1Confident15 Ų1574.9 Ų74.910%0.10142%0.416CS..SBendtrans-83.9119.7178.7-57.40000110.4Q100 A106 C108 C118Q100-C102 VanDerWaalsContact C-N 3.26Å; Q100-C102 PolarHBondContact O-N 3.48Å; C102-A106 HydrophobicContact CB-CB 3.81Å; C102-C108 HydrophobicContact CB-CB 4.34Å; C102-C108 VanDerWaalsContact SG-CA 3.6Å; C102-C108 WeakPolarHBondContact SG-CB 3.46Å; C102-C108 VanDerWaalsContact SG-SG 3.66Å; C102-C118 WeakPolarHBondContact CA-SG 3.33Å; C102-C118 HydrophobicContact CB-CB 3.76Å; C102-C118 WeakPolarHBondContact CB-SG 3.28Å; C102-C118 VanDerWaalsContact SG-CA 3.52Å; C102-C118 WeakPolarHBondContact SG-CB 3.27Å; C102-C118 CovalentContact SG-SG 2.02Å; C102-C118 PolarHBondContact SG-SG 2.75Å
103L94.3Very high87.8Confident73 Ų7373.1 Ų73.138%0.38242%0.42SS..  trans-96171.9-175.2-58.3-177.7000112.5G105 A106 T128 R130L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.27Å; L103-A106 WeakPolarHBondContact O-CB 3.42Å; L103-A106 PolarHBondContact O-N 2.89Å; L103-T128 PolarHBondContact N-O 2.95Å; L103-R130 HydrophobicContact CD1-CB 3.88Å; L103-R130 HydrophobicContact CD1-CG 3.79Å
104N93.6Very high87.3Confident77 Ų7772.2 Ų72.241%0.41243%0.427SS..THydrogen-bonded Turntrans57.634.9173.1-58.3-56.4000114.5A106 F124 C129N104-A106 VanDerWaalsContact C-N 3.33Å; N104-F124 HydrophobicContact CB-CD1 3.8Å; N104-F124 HydrophobicContact CB-CD2 3.97Å; N104-F124 HydrophobicContact CB-CE1 3.66Å; N104-F124 HydrophobicContact CB-CE2 3.83Å; N104-F124 HydrophobicContact CB-CG 3.95Å; N104-F124 HydrophobicContact CB-CZ 3.66Å; N104-F124 WeakPolarHBondContact ND2-CD1 3.33Å; N104-F124 WeakPolarHBondContact ND2-CE1 3.45Å; N104-C129 PolarHBondContact ND2-O 3.06Å
105G91.5Very high87.4Confident72 Ų7271.7 Ų71.774%0.74242%0.424SS*.THydrogen-bonded Turntrans76.517.6178.800000114.3L103L103-G105 VanDerWaalsContact C-N 3.29Å; L103-G105 PolarHBondContact O-N 3.27Å
106A95.5Very high87.8Confident16 Ų1673.2 Ų73.213%0.13243%0.429CS..PPolyproline II helixtrans-69.7146.6176.500000113C102 L103 N104 C118 L119 C129C102-A106 HydrophobicContact CB-CB 3.81Å; L103-A106 WeakPolarHBondContact O-CB 3.42Å; L103-A106 PolarHBondContact O-N 2.89Å; N104-A106 VanDerWaalsContact C-N 3.33Å; A106-C118 HydrophobicContact CB-CB 4.42Å; A106-L119 WeakPolarHBondContact CA-O 3.28Å; A106-L119 WeakPolarHBondContact CB-O 3.46Å; A106-C129 HydrophobicContact CB-CB 3.74Å; A106-C129 WeakPolarHBondContact CB-SG 3.47Å
107T95.1Very high88.2Confident81 Ų8176.9 Ų76.950%0.49744%0.437SS..EExtended strand (participates in β ladder)trans-86.7124.8177.2-55.30000109.8L109 C118 L119T107-L109 HydrophobicContact CG2-CD2 4.31Å; T107-C118 WeakPolarHBondContact O-CA 3.19Å; T107-L119 PolarHBondContact N-O 3.09Å; T107-L119 VanDerWaalsContact N-O 3.16Å; T107-L119 PolarHBondContact O-N 3.18Å
108C93.6Very high88.6Confident33 Ų3376.5 Ų76.522%0.22344%0.435CS..EExtended strand (participates in β ladder)trans-88.3131.6176-167.30000110.6C97 C102C97-C108 WeakPolarHBondContact CA-SG 3.32Å; C97-C108 HydrophobicContact CB-CB 3.7Å; C97-C108 WeakPolarHBondContact CB-SG 3.02Å; C97-C108 WeakPolarHBondContact SG-CB 3.31Å; C97-C108 CovalentContact SG-SG 2.04Å; C97-C108 PolarHBondContact SG-SG 3.22Å; C102-C108 HydrophobicContact CB-CB 4.34Å; C102-C108 VanDerWaalsContact SG-CA 3.6Å; C102-C108 WeakPolarHBondContact SG-CB 3.46Å; C102-C108 VanDerWaalsContact SG-SG 3.66Å
109L90.5Very high89.1Confident58 Ų5877.6 Ų77.630%0.30444%0.435SS..EExtended strand (participates in β ladder)trans-123.8130.4175.4-61.2177.8000109.2T107 F116 R117 L119T107-L109 HydrophobicContact CG2-CD2 4.31Å; L109-F116 CarbonylContact O-C 3.19Å; L109-F116 WeakPolarHBondContact O-CA 3.46Å; L109-R117 HydrophobicContact CB-CG 4.16Å; L109-R117 PolarHBondContact N-O 2.82Å; L109-R117 PolarHBondContact O-N 2.88Å; L109-L119 HydrophobicContact CD1-CD1 3.61Å; L109-L119 HydrophobicContact CD1-CD2 4.19Å; L109-L119 HydrophobicContact CD1-CG 3.76Å; L109-L119 HydrophobicContact CG-CD1 4.36Å; L109-L119 HydrophobicContact CG-CG 4.36Å
110M84.6Confident89.5Confident85 Ų8572.3 Ų72.342%0.41942%0.415SS..EExtended strand (participates in β ladder)trans-78.5142.5169.4-63.7-63.6-60.800109.5V96 C97 F116V96-M110 HydrophobicContact CB-SD 4.48Å; C97-M110 HydrophobicContact CB-SD 4.33Å; C97-M110 VanDerWaalsContact SG-SD 3.66Å; M110-F116 HydrophobicContact SD-CB 4.29Å
111E85.3Confident89.8Confident75 Ų7566.8 Ų66.835%0.3539%0.393SS..  trans-103.6158.7170.9-60.6-157.5154.300110.9S113 G114 D115 R117E111-S113 PolarHBondContact O-N 3.36Å; E111-S113 VanDerWaalsContact O-N 3.08Å; E111-G114 PolarHBondContact O-N 3.46Å; E111-D115 PolarHBondContact N-O 3.16Å; E111-R117 WeakPolarHBondContact OE1-CD 3.37Å; E111-R117 IonicContact OE1-CZ 3.16Å; E111-R117 IonicContact OE1-NH1 3.33Å; E111-R117 PolarHBondContact OE1-NH1 2.8Å
112D78.4Confident89.7Confident181 Ų18172.6 Ų72.697%0.96842%0.423SS*.THydrogen-bonded Turntrans-62.7-18.4-177.4-57.8-39.5000113.1G114D112-G114 PolarHBondContact O-N 3.49Å
113S79.1Confident89.3Confident92 Ų9273.6 Ų73.664%0.64344%0.435SS*.THydrogen-bonded Turntrans-74.5-10.4174.4580000113.9E111 D115E111-S113 PolarHBondContact O-N 3.36Å; E111-S113 VanDerWaalsContact O-N 3.08Å; S113-D115 VanDerWaalsContact C-N 3.3Å; S113-D115 WeakPolarHBondContact OG-CB 3.2Å; S113-D115 PolarHBondContact OG-N 3.14Å
114G72.1Confident89Confident51 Ų5171.3 Ų71.353%0.52642%0.422SS..SBendtrans83.72-169.200000114.1E111 D112E111-G114 PolarHBondContact O-N 3.46Å; D112-G114 PolarHBondContact O-N 3.49Å
115D82.3Confident88.8Confident95 Ų9570.1 Ų70.151%0.50841%0.414SS..  trans-83.8170.8170.1-158.44.4000111.3E111 S113E111-D115 PolarHBondContact N-O 3.16Å; S113-D115 VanDerWaalsContact C-N 3.3Å; S113-D115 WeakPolarHBondContact OG-CB 3.2Å; S113-D115 PolarHBondContact OG-N 3.14Å
116F88.8Confident88.6Confident51 Ų5168.2 Ų68.222%0.22439%0.394CS..EExtended strand (participates in β ladder)trans-126.7152.7177.579.4-74.4000111.8V96 P101 L109 M110 T128V96-F116 HydrophobicContact CB-CB 4.49Å; V96-F116 HydrophobicContact CB-CD1 4.19Å; V96-F116 HydrophobicContact CB-CG 4.45Å; V96-F116 HydrophobicContact CG1-CD1 3.49Å; V96-F116 VanDerWaalsContact CG1-CD1 3.49Å; V96-F116 HydrophobicContact CG1-CE1 3.75Å; V96-F116 HydrophobicContact CG1-CG 4Å; V96-F116 HydrophobicContact CG1-CZ 4.46Å; P101-F116 HydrophobicContact CB-CD2 4.43Å; P101-F116 HydrophobicContact CB-CE2 3.66Å; P101-F116 HydrophobicContact CB-CZ 3.81Å; P101-F116 HydrophobicContact CG-CD2 3.81Å; P101-F116 HydrophobicContact CG-CE2 3.53Å; P101-F116 HydrophobicContact CG-CZ 4.05Å; L109-F116 CarbonylContact O-C 3.19Å; L109-F116 WeakPolarHBondContact O-CA 3.46Å; M110-F116 HydrophobicContact SD-CB 4.29Å; F116-T128 HydrophobicContact CZ-CG2 4.5Å
117R92.6Very high88.4Confident126 Ų12672.7 Ų72.748%0.47542%0.422SS..EExtended strand (participates in β ladder)trans-131.4145.9167.970.7169.1-163.1-112.42.4112L109 E111L109-R117 HydrophobicContact CB-CG 4.16Å; L109-R117 PolarHBondContact N-O 2.82Å; L109-R117 PolarHBondContact O-N 2.88Å; E111-R117 WeakPolarHBondContact OE1-CD 3.37Å; E111-R117 IonicContact OE1-CZ 3.16Å; E111-R117 IonicContact OE1-NH1 3.33Å; E111-R117 PolarHBondContact OE1-NH1 2.8Å
118C96.2Very high88.4Confident18 Ų1871 Ų7112%0.12241%0.412CS..EExtended strand (participates in β ladder)trans-99.4125.7175.3-57.30000110.9C102 A106 T107 C120 P127 C129C102-C118 WeakPolarHBondContact CA-SG 3.33Å; C102-C118 HydrophobicContact CB-CB 3.76Å; C102-C118 WeakPolarHBondContact CB-SG 3.28Å; C102-C118 VanDerWaalsContact SG-CA 3.52Å; C102-C118 WeakPolarHBondContact SG-CB 3.27Å; C102-C118 CovalentContact SG-SG 2.02Å; C102-C118 PolarHBondContact SG-SG 2.75Å; A106-C118 HydrophobicContact CB-CB 4.42Å; T107-C118 WeakPolarHBondContact O-CA 3.19Å; C118-C120 PolarHBondContact O-N 3.44Å; C118-P127 WeakPolarHBondContact CB-O 3.45Å; C118-P127 PolarHBondContact SG-O 3Å; C118-C129 WeakPolarHBondContact CB-SG 3.43Å
119L95.5Very high88.4Confident85 Ų8569.5 Ų69.545%0.44540%0.401SS..EExtended strand (participates in β ladder)trans-81.9104.9164.8-60.3-175.5000108.7A106 T107 L109A106-L119 WeakPolarHBondContact CA-O 3.28Å; A106-L119 WeakPolarHBondContact CB-O 3.46Å; T107-L119 PolarHBondContact N-O 3.09Å; T107-L119 VanDerWaalsContact N-O 3.16Å; T107-L119 PolarHBondContact O-N 3.18Å; L109-L119 HydrophobicContact CD1-CD1 3.61Å; L109-L119 HydrophobicContact CD1-CD2 4.19Å; L109-L119 HydrophobicContact CD1-CG 3.76Å; L109-L119 HydrophobicContact CG-CD1 4.36Å; L109-L119 HydrophobicContact CG-CG 4.36Å
120C95.2Very high88.4Confident44 Ų4475.7 Ų75.730%0.29742%0.42SS..PPolyproline II helixtrans-76.2133.1-177.5-56.30000112C118 F124 G126 C129C118-C120 PolarHBondContact O-N 3.44Å; C120-F124 HydrophobicContact CB-CB 4.33Å; C120-F124 VanDerWaalsContact CB-O 3.29Å; C120-F124 WeakPolarHBondContact CB-O 3.5Å; C120-G126 PolarHBondContact SG-O 2.96Å; C120-C129 WeakPolarHBondContact CA-SG 3.27Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.21Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.3Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.76Å
121P94.1Very high88.5Confident45 Ų4578 Ų7829%0.29243%0.428SS..PPolyproline II helixtrans-62.4164.9168.4-2235000111.6G123 F124P121-G123 PolarHBondContact O-N 3.23Å; P121-F124 PolarHBondContact O-N 2.92Å; P121-F124 VanDerWaalsContact O-N 3.11Å
122D90.4Very high88.5Confident152 Ų15282 Ų8281%0.81344%0.44SS*.THydrogen-bonded Turntrans-56.6136.4175.8-77.7-32.7000111.6
123G86.4Confident88.8Confident35 Ų3577.1 Ų77.136%0.36141%0.41SS..THydrogen-bonded Turntrans85.5-1.2-175.500000115.6P121 R132 K133P121-G123 PolarHBondContact O-N 3.23Å; G123-R132 CarbonylContact O-C 3.52Å; G123-R132 VanDerWaalsContact O-CA 3.28Å; G123-R132 WeakPolarHBondContact O-CA 3.31Å; G123-K133 PolarHBondContact O-N 3.16Å
124F88.9Confident88.9Confident26 Ų2672.9 Ų72.911%0.11438%0.381CS..EExtended strand (participates in β ladder)trans-125151.4175.6-63.8-84.7000113.1N104 C120 P121 C129 K131 R132 K133N104-F124 HydrophobicContact CB-CD1 3.8Å; N104-F124 HydrophobicContact CB-CD2 3.97Å; N104-F124 HydrophobicContact CB-CE1 3.66Å; N104-F124 HydrophobicContact CB-CE2 3.83Å; N104-F124 HydrophobicContact CB-CG 3.95Å; N104-F124 HydrophobicContact CB-CZ 3.66Å; N104-F124 WeakPolarHBondContact ND2-CD1 3.33Å; N104-F124 WeakPolarHBondContact ND2-CE1 3.45Å; C120-F124 HydrophobicContact CB-CB 4.33Å; C120-F124 VanDerWaalsContact CB-O 3.29Å; C120-F124 WeakPolarHBondContact CB-O 3.5Å; P121-F124 PolarHBondContact O-N 2.92Å; P121-F124 VanDerWaalsContact O-N 3.11Å; F124-C129 HydrophobicContact CB-CB 4.27Å; F124-C129 WeakPolarHBondContact CD1-O 3.37Å; F124-K131 CarbonylContact C-O 3.52Å; F124-K131 VanDerWaalsContact CA-O 3.27Å; F124-K131 WeakPolarHBondContact CA-O 3.39Å; F124-R132 HydrophobicContact CD1-CG 4.01Å; F124-R132 HydrophobicContact CE1-CG 3.59Å; F124-R132 HydrophobicContact CZ-CG 4.34Å; F124-K133 WeakPolarHBondContact O-CE 3.28Å
125H88.2Confident89.4Confident52 Ų5272.1 Ų72.124%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-153.1178.6178.978.7105.2000112.5C129 K131 R132 K133 L137H125-C129 WeakPolarHBondContact O-CA 3.43Å; H125-K131 PolarHBondContact CD2-O 3.21Å; H125-K131 PolarHBondContact N-O 3.24Å; H125-K131 VanDerWaalsContact NE2-CB 3.3Å; H125-K131 WeakPolarHBondContact NE2-CB 3.4Å; H125-K131 PolarHBondContact O-N 3.13Å; H125-R132 PolarHBondContact CD2-O 3.36Å; H125-R132 PolarHBondContact NE2-O 3.39Å; H125-K133 HydrophobicContact CB-CG 3.97Å; H125-L137 WeakPolarHBondContact CE1-CD1 3.05Å; H125-L137 WeakPolarHBondContact NE2-CD1 3.45Å
126G89.1Confident89.6Confident31 Ų3168.7 Ų68.732%0.3235%0.35SS..SBendtrans91174.7-175.800000112.1C120 T128 C129C120-G126 PolarHBondContact SG-O 2.96Å; G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.17Å; G126-C129 PolarHBondContact O-N 3.13Å
127P91.4Very high89.2Confident111 Ų11170.3 Ų70.372%0.72136%0.36SS*.THydrogen-bonded Turntrans-63.9-31.9-169.923.9-33.8000113.3C118C118-P127 WeakPolarHBondContact CB-O 3.45Å; C118-P127 PolarHBondContact SG-O 3Å
128T93.3Very high88.5Confident46 Ų4669.8 Ų69.828%0.28236%0.364SS..THydrogen-bonded Turntrans-112.910.4-179.855.20000113.2P101 L103 F116 G126 R130P101-T128 WeakPolarHBondContact O-CB 3Å; L103-T128 PolarHBondContact N-O 2.95Å; F116-T128 HydrophobicContact CZ-CG2 4.5Å; G126-T128 VanDerWaalsContact C-N 3.28Å; G126-T128 PolarHBondContact O-N 3.17Å; T128-R130 PolarHBondContact O-N 3.28Å
129C93.6Very high87.6Confident0 Ų081.1 Ų81.10%040%0.404CS..SBendtrans55.822.5-176.9-47.80000114.6N104 A106 C118 C120 F124 H125 G126N104-C129 PolarHBondContact ND2-O 3.06Å; A106-C129 HydrophobicContact CB-CB 3.74Å; A106-C129 WeakPolarHBondContact CB-SG 3.47Å; C118-C129 WeakPolarHBondContact CB-SG 3.43Å; C120-C129 WeakPolarHBondContact CA-SG 3.27Å; C120-C129 HydrophobicContact CB-CB 3.76Å; C120-C129 WeakPolarHBondContact CB-SG 3.21Å; C120-C129 WeakPolarHBondContact SG-CA 3.36Å; C120-C129 WeakPolarHBondContact SG-CB 3.3Å; C120-C129 CovalentContact SG-SG 2.03Å; C120-C129 PolarHBondContact SG-SG 2.76Å; F124-C129 HydrophobicContact CB-CB 4.27Å; F124-C129 WeakPolarHBondContact CD1-O 3.37Å; H125-C129 WeakPolarHBondContact O-CA 3.43Å; G126-C129 PolarHBondContact O-N 3.13Å
130R91.7Very high87.2Confident188 Ų18887.7 Ų87.771%0.70942%0.423SS*.  trans-70.2-34.8177.6-171171.9178.4-164.9-0.6112.5L103 T128L103-R130 HydrophobicContact CD1-CB 3.88Å; L103-R130 HydrophobicContact CD1-CG 3.79Å; T128-R130 PolarHBondContact O-N 3.28Å
131K86Confident86.8Confident133 Ų13388.7 Ų88.758%0.57843%0.43SS*.EExtended strand (participates in β ladder)trans-84.3135.8-173.1-61.8-176177.8-174.80110.1F124 H125F124-K131 CarbonylContact C-O 3.52Å; F124-K131 VanDerWaalsContact CA-O 3.27Å; F124-K131 WeakPolarHBondContact CA-O 3.39Å; H125-K131 PolarHBondContact CD2-O 3.21Å; H125-K131 PolarHBondContact N-O 3.24Å; H125-K131 VanDerWaalsContact NE2-CB 3.3Å; H125-K131 WeakPolarHBondContact NE2-CB 3.4Å; H125-K131 PolarHBondContact O-N 3.13Å
132R84.8Confident86.7Confident160 Ų16087.4 Ų87.460%0.60442%0.421SS*.EExtended strand (participates in β ladder)trans-77.5139.8169.9-72.5-179.7-177.4-88.50.8109.3G123 F124 H125 G134 A156G123-R132 CarbonylContact O-C 3.52Å; G123-R132 VanDerWaalsContact O-CA 3.28Å; G123-R132 WeakPolarHBondContact O-CA 3.31Å; F124-R132 HydrophobicContact CD1-CG 4.01Å; F124-R132 HydrophobicContact CE1-CG 3.59Å; F124-R132 HydrophobicContact CZ-CG 4.34Å; H125-R132 PolarHBondContact CD2-O 3.36Å; H125-R132 PolarHBondContact NE2-O 3.39Å; R132-G134 PolarHBondContact O-N 3.13Å; R132-G134 VanDerWaalsContact O-N 3.1Å; R132-A156 HydrophobicContact CB-CB 3.9Å
133K86.1Confident86.9Confident79 Ų7980.6 Ų80.634%0.34339%0.386SS..  trans-65.9109.6172.2-71-177.8-176.4173.10108.1G123 F124 H125G123-K133 PolarHBondContact O-N 3.16Å; F124-K133 WeakPolarHBondContact O-CE 3.28Å; H125-K133 HydrophobicContact CB-CG 3.97Å
134G80.5Confident87.3Confident2 Ų284.1 Ų84.12%0.02139%0.391CS..  trans-69.7172.8172.700000113.3R132 C136 L137 D151 A156R132-G134 PolarHBondContact O-N 3.13Å; R132-G134 VanDerWaalsContact O-N 3.1Å; G134-C136 PolarHBondContact O-N 3.27Å; G134-L137 PolarHBondContact O-N 2.86Å; G134-D151 WeakPolarHBondContact CA-OD1 3.32Å; G134-A156 VanDerWaalsContact CA-CB 3.5Å
135P82.7Confident87.6Confident36 Ų3686.6 Ų86.623%0.23441%0.406CS..G310 helixtrans-59.7-25.7177.425.8-34.1000112.5Q138 D151 L159P135-Q138 WeakPolarHBondContact O-CG 3.45Å; P135-D151 WeakPolarHBondContact CD-OD1 3.47Å; P135-L159 HydrophobicContact CB-CB 4.21Å; P135-L159 HydrophobicContact CB-CD1 4.24Å; P135-L159 HydrophobicContact CG-CB 3.96Å; P135-L159 HydrophobicContact CG-CD1 4.25Å
136C85.7Confident87.8Confident23 Ų2387.1 Ų87.116%0.15543%0.426CS..G310 helixtrans-80-24.7-179.7-61.20000114.5G134 Q138 C149 E150 D151G134-C136 PolarHBondContact O-N 3.27Å; C136-Q138 PolarHBondContact O-N 3.1Å; C136-C149 WeakPolarHBondContact CA-SG 3.47Å; C136-C149 HydrophobicContact CB-CB 3.7Å; C136-C149 WeakPolarHBondContact CB-SG 3.01Å; C136-C149 WeakPolarHBondContact SG-CB 3.44Å; C136-C149 CovalentContact SG-SG 2.03Å; C136-C149 PolarHBondContact SG-SG 3.03Å; C136-E150 PolarHBondContact SG-N 2.75Å; C136-E150 VanDerWaalsContact SG-N 3.36Å; C136-D151 WeakPolarHBondContact CB-OD1 3.14Å; C136-D151 PolarHBondContact N-OD1 3.32Å; C136-D151 PolarHBondContact SG-OD1 2.77Å
137L81.1Confident88.1Confident84 Ų8486 Ų8644%0.4441%0.414SS..G310 helixtrans-86.914.4-179.1-68.2171.7000113.5H125 G134H125-L137 WeakPolarHBondContact CE1-CD1 3.05Å; H125-L137 WeakPolarHBondContact NE2-CD1 3.45Å; G134-L137 PolarHBondContact O-N 2.86Å
138Q77.3Confident88.1Confident116 Ų11685.5 Ų85.554%0.54240%0.404SS..SBendtrans-75160.1171-63.5-63.2-26.400110.8P135 C136 R140P135-Q138 WeakPolarHBondContact O-CG 3.45Å; C136-Q138 PolarHBondContact O-N 3.1Å; Q138-R140 PolarHBondContact O-N 3.46Å
139R78.1Confident88Confident256 Ų25684.5 Ų84.597%0.96640%0.399SS*.SBendtrans-56.8-19.7-178.1-79.6-175.7178.2-96.23.1114.7
140R86.1Confident87.6Confident223 Ų22387.1 Ų87.184%0.84241%0.411SS*.SBendtrans-132.1134.1176.5-68.8-177.9179-171.5-0.8108.5Q138Q138-R140 PolarHBondContact O-N 3.46Å
141S88.4Confident86.9Confident65 Ų6580.9 Ų80.946%0.45539%0.392SS..  trans-56.7128.2172.6-1800000109.3C143S141-C143 PolarHBondContact O-N 3.49Å; S141-C143 PolarHBondContact OG-N 2.78Å
142P91.1Very high85.9Confident17 Ų1776 Ų7611%0.1138%0.377CS..SBendtrans-72.3-18.3175.130-36.1000112.5C149 L159 R171P142-C149 WeakPolarHBondContact CG-SG 3.4Å; P142-L159 HydrophobicContact CB-CD1 4.15Å; P142-L159 HydrophobicContact CB-CD2 3.8Å; P142-L159 HydrophobicContact CG-CD1 3.38Å; P142-L159 HydrophobicContact CG-CD2 3.99Å; P142-L159 HydrophobicContact CG-CG 4.35Å; P142-R171 VanDerWaalsContact O-CZ 3.24Å; P142-R171 PolarHBondContact O-NE 2.73Å; P142-R171 PolarHBondContact O-NH2 3Å
143C94.4Very high84.9Confident10 Ų1076.1 Ų76.17%0.06839%0.389CS..SBendtrans-77.6132.8176.1-50.30000110.8S141 G147 C149 C161S141-C143 PolarHBondContact O-N 3.49Å; S141-C143 PolarHBondContact OG-N 2.78Å; C143-G147 WeakPolarHBondContact CB-O 3.01Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 VanDerWaalsContact SG-CB 3.53Å; C143-C161 WeakPolarHBondContact CA-SG 3.37Å; C143-C161 HydrophobicContact CB-CB 3.8Å; C143-C161 WeakPolarHBondContact CB-SG 3.28Å; C143-C161 WeakPolarHBondContact SG-CA 3.35Å; C143-C161 WeakPolarHBondContact SG-CB 3.01Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 2.03Å
144K95.3Very high83.4Confident108 Ų10875.4 Ų75.447%0.4740%0.404SS..SBendtrans-87.4170.2179.5-61-60.1-173.3174.40111.2G146 G147 R171 E173K144-G146 PolarHBondContact O-N 3.48Å; K144-G147 PolarHBondContact O-N 2.78Å; K144-R171 WeakPolarHBondContact CB-O 3.46Å; K144-R171 PolarHBondContact N-O 2.87Å; K144-E173 HydrophobicContact CB-CB 4.36Å; K144-E173 HydrophobicContact CG-CB 4.17Å
145N95.1Very high82.4Confident78 Ų7883.4 Ų83.442%0.41744%0.439SS..THydrogen-bonded Turntrans50.934.6173.6-59.6-39.8000114.7G147 F167 C172N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.89Å; N145-F167 HydrophobicContact CB-CD1 3.76Å; N145-F167 HydrophobicContact CB-CD2 3.78Å; N145-F167 HydrophobicContact CB-CE1 3.67Å; N145-F167 HydrophobicContact CB-CE2 3.67Å; N145-F167 HydrophobicContact CB-CG 3.82Å; N145-F167 HydrophobicContact CB-CZ 3.61Å; N145-F167 VanDerWaalsContact ND2-CD1 3.28Å; N145-F167 WeakPolarHBondContact ND2-CD1 3.4Å; N145-F167 VanDerWaalsContact ND2-CE1 3.31Å; N145-F167 WeakPolarHBondContact ND2-CE1 3.12Å; N145-C172 PolarHBondContact ND2-O 2.74Å
146G92.6Very high81.3Confident64 Ų6482.9 Ų82.966%0.6644%0.437SS*.THydrogen-bonded Turntrans74.912.5-179.900000115K144K144-G146 PolarHBondContact O-N 3.48Å
147G94.5Very high80.5Confident7 Ų788 Ų887%0.07247%0.468CS..PPolyproline II helixtrans-58.4144.4176.200000113C143 K144 N145 R162C143-G147 WeakPolarHBondContact CB-O 3.01Å; K144-G147 PolarHBondContact O-N 2.78Å; N145-G147 VanDerWaalsContact C-N 3.29Å; N145-G147 PolarHBondContact O-N 2.89Å; G147-R162 WeakPolarHBondContact CA-O 3.47Å
148L92.9Very high80.2Confident100 Ų10090.2 Ų90.252%0.52448%0.476SS..EExtended strand (participates in β ladder)trans-81.7125.4177.8175.667.3000109.6E150 C161 R162L148-E150 HydrophobicContact CD2-CG 4.29Å; L148-E150 HydrophobicContact CG-CG 4.22Å; L148-C161 CarbonylContact O-C 3.48Å; L148-C161 WeakPolarHBondContact O-CA 3.43Å; L148-R162 HydrophobicContact CB-CB 4.26Å; L148-R162 PolarHBondContact N-O 3.41Å; L148-R162 PolarHBondContact O-N 2.04Å
149C90.4Very high80.6Confident26 Ų2687.3 Ų87.318%0.17646%0.464CS..EExtended strand (participates in β ladder)trans-91126.8175.9-160.50000110.1C136 P142 C143 L159C136-C149 WeakPolarHBondContact CA-SG 3.47Å; C136-C149 HydrophobicContact CB-CB 3.7Å; C136-C149 WeakPolarHBondContact CB-SG 3.01Å; C136-C149 WeakPolarHBondContact SG-CB 3.44Å; C136-C149 CovalentContact SG-SG 2.03Å; C136-C149 PolarHBondContact SG-SG 3.03Å; P142-C149 WeakPolarHBondContact CG-SG 3.4Å; C143-C149 VanDerWaalsContact SG-CA 3.53Å; C143-C149 VanDerWaalsContact SG-CB 3.53Å; C149-L159 WeakPolarHBondContact SG-CD1 3.39Å
150E85.8Confident81.1Confident54 Ų5477.4 Ų77.425%0.25243%0.432SS..EExtended strand (participates in β ladder)trans-121.5132175.7-62.3-175.3161.700109.9C136 L148 V160 R162C136-E150 PolarHBondContact SG-N 2.75Å; C136-E150 VanDerWaalsContact SG-N 3.36Å; L148-E150 HydrophobicContact CD2-CG 4.29Å; L148-E150 HydrophobicContact CG-CG 4.22Å; E150-V160 HydrophobicContact CB-CB 4.5Å; E150-V160 PolarHBondContact N-O 2.9Å; E150-V160 PolarHBondContact O-N 2.03Å; E150-R162 VanDerWaalsContact CD-NH2 3.34Å; E150-R162 WeakPolarHBondContact OE1-CD 3.33Å; E150-R162 IonicContact OE1-CZ 3Å; E150-R162 IonicContact OE1-NE 3Å; E150-R162 PolarHBondContact OE1-NE 2.92Å; E150-R162 IonicContact OE1-NH1 2.9Å; E150-R162 PolarHBondContact OE1-NH1 3.35Å; E150-R162 IonicContact OE1-NH2 2.74Å; E150-R162 PolarHBondContact OE1-NH2 3.32Å; E150-R162 VanDerWaalsContact OE1-NH2 3.16Å; E150-R162 IonicContact OE2-CZ 3.24Å; E150-R162 IonicContact OE2-NE 2.73Å; E150-R162 PolarHBondContact OE2-NE 2.82Å; E150-R162 IonicContact OE2-NH2 2.96Å; E150-R162 PolarHBondContact OE2-NH2 3.18Å
151D75.8Confident81.4Confident57 Ų5767.7 Ų67.731%0.30540%0.398SS..EExtended strand (participates in β ladder)trans-82.8114.7170.2-65.7-49000107.8G134 P135 C136 D153G134-D151 WeakPolarHBondContact CA-OD1 3.32Å; P135-D151 WeakPolarHBondContact CD-OD1 3.47Å; C136-D151 WeakPolarHBondContact CB-OD1 3.14Å; C136-D151 PolarHBondContact N-OD1 3.32Å; C136-D151 PolarHBondContact SG-OD1 2.77Å; D151-D153 PolarHBondContact O-N 3.09Å
152A66.1Low81.7Confident31 Ų3171.8 Ų71.826%0.25640%0.404SS..SBendtrans-63.3120.2176.200000110.8G154 F155 V160A152-G154 PolarHBondContact O-N 3.31Å; A152-F155 PolarHBondContact O-N 3.17Å; A152-V160 HydrophobicContact CB-CG2 4.08Å
153D62.3Low82Confident163 Ų16373.2 Ų73.287%0.87241%0.413SS*.THydrogen-bonded Turntrans46.926165.6-59.5-39.8000118.5D151 F155D151-D153 PolarHBondContact O-N 3.09Å; D153-F155 PolarHBondContact O-N 3.45Å; D153-F155 VanDerWaalsContact O-N 3.1Å
154G56Low82.1Confident63 Ų6377.5 Ų77.565%0.64944%0.435SS*.THydrogen-bonded Turntrans71.80.6174.500000115.2A152A152-G154 PolarHBondContact O-N 3.31Å
155F58.6Low82.1Confident170 Ų17075.6 Ų75.675%0.74644%0.44SS*.  trans-101.380.7164.5-88.9-91.4000108.8A152 D153 T157A152-F155 PolarHBondContact O-N 3.17Å; D153-F155 PolarHBondContact O-N 3.45Å; D153-F155 VanDerWaalsContact O-N 3.1Å; F155-T157 PolarHBondContact O-N 3.32Å; F155-T157 PolarHBondContact O-OG1 3.2Å
156A60.7Low82.1Confident25 Ų2572.1 Ų72.121%0.20742%0.422CS..THydrogen-bonded Turntrans-37.445.6174.200000118.6R132 G134R132-A156 HydrophobicContact CB-CB 3.9Å; G134-A156 VanDerWaalsContact CA-CB 3.5Å
157T67.9Low82.3Confident130 Ų13070.5 Ų70.580%0.79840%0.397SS*.THydrogen-bonded Turntrans-121.9-26.3-17555.40000113.2F155F155-T157 PolarHBondContact O-N 3.32Å; F155-T157 PolarHBondContact O-OG1 3.2Å
158E76Confident82.4Confident132 Ų13273.7 Ų73.762%0.61742%0.415SS*.  trans-109.1126.5178.2-165.9167-166.300111V160E158-V160 HydrophobicContact CG-CG2 4.46Å
159L83.9Confident82.5Confident54 Ų5470.1 Ų70.128%0.28340%0.403SS..EExtended strand (participates in β ladder)trans-83.9116.5173.5167.960000108.8P135 P142 C149 R171P135-L159 HydrophobicContact CB-CB 4.21Å; P135-L159 HydrophobicContact CB-CD1 4.24Å; P135-L159 HydrophobicContact CG-CB 3.96Å; P135-L159 HydrophobicContact CG-CD1 4.25Å; P142-L159 HydrophobicContact CB-CD1 4.15Å; P142-L159 HydrophobicContact CB-CD2 3.8Å; P142-L159 HydrophobicContact CG-CD1 3.38Å; P142-L159 HydrophobicContact CG-CD2 3.99Å; P142-L159 HydrophobicContact CG-CG 4.35Å; C149-L159 WeakPolarHBondContact SG-CD1 3.39Å; L159-R171 HydrophobicContact CD2-CG 4.11Å
160V88.8Confident82.7Confident48 Ų4873.6 Ų73.629%0.29143%0.425SS..EExtended strand (participates in β ladder)trans-111121173.3-176.30000109.4E150 A152 E158E150-V160 HydrophobicContact CB-CB 4.5Å; E150-V160 PolarHBondContact N-O 2.9Å; E150-V160 PolarHBondContact O-N 2.03Å; A152-V160 HydrophobicContact CB-CG2 4.08Å; E158-V160 HydrophobicContact CG-CG2 4.46Å
161C93.3Very high83.1Confident20 Ų2075.9 Ų75.914%0.13543%0.431CS..EExtended strand (participates in β ladder)trans-110.7120.4173.8-68.90000110.2C143 L148 P170C143-C161 WeakPolarHBondContact CA-SG 3.37Å; C143-C161 HydrophobicContact CB-CB 3.8Å; C143-C161 WeakPolarHBondContact CB-SG 3.28Å; C143-C161 WeakPolarHBondContact SG-CA 3.35Å; C143-C161 WeakPolarHBondContact SG-CB 3.01Å; C143-C161 CovalentContact SG-SG 2.03Å; C143-C161 PolarHBondContact SG-SG 2.03Å; L148-C161 CarbonylContact O-C 3.48Å; L148-C161 WeakPolarHBondContact O-CA 3.43Å; C161-P170 WeakPolarHBondContact CB-O 3.19Å
162R94.6Very high84.1Confident151 Ų15173.2 Ų73.257%0.5742%0.417SS*.EExtended strand (participates in β ladder)trans-88.1113.3167.2-66.8-169.8-175.4175.112.8109.2G147 L148 E150G147-R162 WeakPolarHBondContact CA-O 3.47Å; L148-R162 HydrophobicContact CB-CB 4.26Å; L148-R162 PolarHBondContact N-O 3.41Å; L148-R162 PolarHBondContact O-N 2.04Å; E150-R162 VanDerWaalsContact CD-NH2 3.34Å; E150-R162 WeakPolarHBondContact OE1-CD 3.33Å; E150-R162 IonicContact OE1-CZ 3Å; E150-R162 IonicContact OE1-NE 3Å; E150-R162 PolarHBondContact OE1-NE 2.92Å; E150-R162 IonicContact OE1-NH1 2.9Å; E150-R162 PolarHBondContact OE1-NH1 3.35Å; E150-R162 IonicContact OE1-NH2 2.74Å; E150-R162 PolarHBondContact OE1-NH2 3.32Å; E150-R162 VanDerWaalsContact OE1-NH2 3.16Å; E150-R162 IonicContact OE2-CZ 3.24Å; E150-R162 IonicContact OE2-NE 2.73Å; E150-R162 PolarHBondContact OE2-NE 2.82Å; E150-R162 IonicContact OE2-NH2 2.96Å; E150-R162 PolarHBondContact OE2-NH2 3.18Å
163C97.1Very high85.5Confident47 Ų4775.9 Ų75.932%0.31842%0.424SS..PPolyproline II helixtrans-79144-176.5-53.60000112F167 C172C163-F167 HydrophobicContact CB-CB 4.3Å; C163-F167 WeakPolarHBondContact CB-O 3.09Å; C163-C172 WeakPolarHBondContact CA-SG 3.3Å; C163-C172 HydrophobicContact CB-CB 3.69Å; C163-C172 WeakPolarHBondContact CB-SG 3.44Å; C163-C172 PolarHBondContact N-SG 2.77Å; C163-C172 VanDerWaalsContact N-SG 3.41Å; C163-C172 WeakPolarHBondContact SG-CA 3.05Å; C163-C172 WeakPolarHBondContact SG-CB 3.27Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å
164L96.3Very high87.1Confident99 Ų9971.4 Ų71.452%0.51840%0.403SS..PPolyproline II helixtrans-69.2157.6166.2-63-179.7000109.5G166 F167L164-G166 PolarHBondContact O-N 2.96Å; L164-F167 HydrophobicContact CB-CD2 4.41Å; L164-F167 PolarHBondContact O-N 3.42Å; L164-F167 VanDerWaalsContact O-N 3.1Å
165A95.4Very high89.1Confident69 Ų6971 Ų7157%0.5739%0.385SS*.THydrogen-bonded Turntrans-56.1138176.700000110.9
166G95.3Very high90.9Very high4 Ų466.3 Ų66.34%0.04137%0.367CS..THydrogen-bonded Turntrans90.7-10.4-172.800000114.7L164 I176 N195L164-G166 PolarHBondContact O-N 2.96Å; G166-I176 WeakPolarHBondContact O-CB 3.48Å; G166-I176 WeakPolarHBondContact O-CG1 3.02Å; G166-I176 PolarHBondContact O-N 3.5Å; G166-N195 PolarHBondContact N-OD1 3.33Å
167F97.8Very high92.5Very high31 Ų3168.3 Ų68.314%0.13638%0.375CS..EExtended strand (participates in β ladder)trans-117.2150.8178-62.1-75000113N145 C163 L164 C172 T174 D175 V194N145-F167 HydrophobicContact CB-CD1 3.76Å; N145-F167 HydrophobicContact CB-CD2 3.78Å; N145-F167 HydrophobicContact CB-CE1 3.67Å; N145-F167 HydrophobicContact CB-CE2 3.67Å; N145-F167 HydrophobicContact CB-CG 3.82Å; N145-F167 HydrophobicContact CB-CZ 3.61Å; N145-F167 VanDerWaalsContact ND2-CD1 3.28Å; N145-F167 WeakPolarHBondContact ND2-CD1 3.4Å; N145-F167 VanDerWaalsContact ND2-CE1 3.31Å; N145-F167 WeakPolarHBondContact ND2-CE1 3.12Å; C163-F167 HydrophobicContact CB-CB 4.3Å; C163-F167 WeakPolarHBondContact CB-O 3.09Å; L164-F167 HydrophobicContact CB-CD2 4.41Å; L164-F167 PolarHBondContact O-N 3.42Å; L164-F167 VanDerWaalsContact O-N 3.1Å; F167-C172 HydrophobicContact CB-CB 4.31Å; F167-T174 CarbonylContact C-O 3.52Å; F167-T174 VanDerWaalsContact CA-O 3.28Å; F167-T174 WeakPolarHBondContact CA-O 3.36Å; F167-D175 HydrophobicContact CD1-CB 4.32Å; F167-D175 HydrophobicContact CE1-CB 4.13Å; F167-V194 HydrophobicContact CD2-CG1 4.33Å; F167-V194 HydrophobicContact CE1-CG1 4.43Å; F167-V194 HydrophobicContact CE1-CG2 4.33Å; F167-V194 HydrophobicContact CE2-CG1 3.42Å; F167-V194 VanDerWaalsContact CE2-CG1 3.42Å; F167-V194 HydrophobicContact CZ-CB 4.26Å; F167-V194 HydrophobicContact CZ-CG1 3.49Å; F167-V194 VanDerWaalsContact CZ-CG1 3.49Å; F167-V194 HydrophobicContact CZ-CG2 3.72Å
168T95.8Very high93.9Very high73 Ų7364.2 Ų64.245%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-141.4179.1176.7-167.10000111.1C172 E173 T174 I176T168-C172 CarbonylContact O-C 3.48Å; T168-C172 VanDerWaalsContact O-CA 3.3Å; T168-C172 WeakPolarHBondContact O-CA 3.2Å; T168-E173 PolarHBondContact O-N 3.4Å; T168-T174 HydrophobicContact CG2-CG2 3.94Å; T168-T174 PolarHBondContact N-O 3.49Å; T168-T174 PolarHBondContact O-N 3.43Å; T168-T174 VanDerWaalsContact O-N 3.09Å; T168-I176 HydrophobicContact CG2-CG1 3.87Å
169G95.5Very high94.8Very high26 Ų2659 Ų5927%0.26833%0.326SS..SBendtrans96.5163.6-176.300000113.1R171 C172G169-R171 PolarHBondContact O-N 3.18Å; G169-R171 VanDerWaalsContact O-N 3.13Å; G169-C172 PolarHBondContact O-N 2.64Å; G169-C172 VanDerWaalsContact O-N 3.16Å
170P92.9Very high95.2Very high98 Ų9862.6 Ų62.664%0.63634%0.344SS*.THydrogen-bonded Turntrans-63.2-20.8-175.926.8-35.7000113.2C161 E173C161-P170 WeakPolarHBondContact CB-O 3.19Å; P170-E173 WeakPolarHBondContact CD-OE1 3.24Å
171R94.4Very high95.2Very high103 Ų10368.6 Ų68.639%0.38937%0.371SS..THydrogen-bonded Turntrans-123.516.9177.8-58.1179.764.5179.44.5112P142 K144 L159 G169 E173P142-R171 VanDerWaalsContact O-CZ 3.24Å; P142-R171 PolarHBondContact O-NE 2.73Å; P142-R171 PolarHBondContact O-NH2 3Å; K144-R171 WeakPolarHBondContact CB-O 3.46Å; K144-R171 PolarHBondContact N-O 2.87Å; L159-R171 HydrophobicContact CD2-CG 4.11Å; G169-R171 PolarHBondContact O-N 3.18Å; G169-R171 VanDerWaalsContact O-N 3.13Å; R171-E173 WeakPolarHBondContact CA-OE2 3.22Å; R171-E173 WeakPolarHBondContact CB-OE2 3.19Å; R171-E173 PolarHBondContact N-OE2 3.1Å; R171-E173 PolarHBondContact O-N 3.25Å
172C97.1Very high94.9Very high0 Ų073 Ų730%040%0.398CS..SBendtrans57.331.6-177.7-45.40000113.4N145 C163 F167 T168 G169N145-C172 PolarHBondContact ND2-O 2.74Å; C163-C172 WeakPolarHBondContact CA-SG 3.3Å; C163-C172 HydrophobicContact CB-CB 3.69Å; C163-C172 WeakPolarHBondContact CB-SG 3.44Å; C163-C172 PolarHBondContact N-SG 2.77Å; C163-C172 VanDerWaalsContact N-SG 3.41Å; C163-C172 WeakPolarHBondContact SG-CA 3.05Å; C163-C172 WeakPolarHBondContact SG-CB 3.27Å; C163-C172 CovalentContact SG-SG 2.04Å; C163-C172 PolarHBondContact SG-SG 3.11Å; F167-C172 HydrophobicContact CB-CB 4.31Å; T168-C172 CarbonylContact O-C 3.48Å; T168-C172 VanDerWaalsContact O-CA 3.3Å; T168-C172 WeakPolarHBondContact O-CA 3.2Å; G169-C172 PolarHBondContact O-N 2.64Å; G169-C172 VanDerWaalsContact O-N 3.16Å
173E96.1Very high94.8Very high88 Ų8867.2 Ų67.241%0.41138%0.38SS..  trans-83.4-19.3-17568.3-87.8-142.300113.5K144 T168 P170 R171K144-E173 HydrophobicContact CB-CB 4.36Å; K144-E173 HydrophobicContact CG-CB 4.17Å; T168-E173 PolarHBondContact O-N 3.4Å; P170-E173 WeakPolarHBondContact CD-OE1 3.24Å; R171-E173 WeakPolarHBondContact CA-OE2 3.22Å; R171-E173 WeakPolarHBondContact CB-OE2 3.19Å; R171-E173 PolarHBondContact N-OE2 3.1Å; R171-E173 PolarHBondContact O-N 3.25Å
174T96.4Very high94.7Very high69 Ų6965.7 Ų65.742%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-102.6122.8-173-53.90000109.6F167 T168F167-T174 CarbonylContact C-O 3.52Å; F167-T174 VanDerWaalsContact CA-O 3.28Å; F167-T174 WeakPolarHBondContact CA-O 3.36Å; T168-T174 HydrophobicContact CG2-CG2 3.94Å; T168-T174 PolarHBondContact N-O 3.49Å; T168-T174 PolarHBondContact O-N 3.43Å; T168-T174 VanDerWaalsContact O-N 3.09Å
175D96.5Very high94.6Very high54 Ų5462.5 Ų62.529%0.28936%0.357SS..EExtended strand (participates in β ladder)trans-71136.1166.9-155.93.5000108.6F167 D177 V194F167-D175 HydrophobicContact CD1-CB 4.32Å; F167-D175 HydrophobicContact CE1-CB 4.13Å; D175-D177 PolarHBondContact O-N 3.41Å; D175-V194 WeakPolarHBondContact OD2-CG2 3.42Å
176I96.5Very high94.5Very high71 Ų7161.9 Ų61.936%0.36435%0.349SS..PPolyproline II helixtrans-79.2118178.1-65.2171.5000106.7G166 T168 D178G166-I176 WeakPolarHBondContact O-CB 3.48Å; G166-I176 WeakPolarHBondContact O-CG1 3.02Å; G166-I176 PolarHBondContact O-N 3.5Å; T168-I176 HydrophobicContact CG2-CG1 3.87Å; I176-D178 PolarHBondContact O-N 3.36Å
177D95.5Very high94.2Very high68 Ų6865.3 Ų65.336%0.36438%0.384SS..  trans-67101.7177.1-179-6000110.4D175 C179 L180 D192D175-D177 PolarHBondContact O-N 3.41Å; D177-C179 PolarHBondContact O-N 3.24Å; D177-C179 WeakPolarHBondContact OD1-CA 3.21Å; D177-C179 WeakPolarHBondContact OD1-CB 3.02Å; D177-C179 PolarHBondContact OD1-N 3.1Å; D177-L180 HydrophobicContact CB-CD1 4Å; D177-L180 HydrophobicContact CB-CG 3.83Å; D177-L180 WeakPolarHBondContact O-CG 3.48Å; D177-L180 PolarHBondContact O-N 3.16Å; D177-D192 WeakPolarHBondContact CA-OD1 3.29Å
178D95.7Very high94.1Very high44 Ų4464.7 Ų64.724%0.23538%0.384CS..THydrogen-bonded Turntrans-70.6-9.6-179.5-76.7-70.6000112.2I176 D192 N195 R196 F197I176-D178 PolarHBondContact O-N 3.36Å; D178-D192 PolarHBondContact N-OD1 2.81Å; D178-N195 VanDerWaalsContact OD2-C 3.31Å; D178-N195 WeakPolarHBondContact OD2-CA 3.05Å; D178-N195 PolarHBondContact OD2-N 3.23Å; D178-R196 PolarHBondContact OD2-N 2.9Å; D178-F197 HydrophobicContact CB-CB 3.91Å; D178-F197 HydrophobicContact CB-CD1 4.4Å
179C95.8Very high94.1Very high23 Ų2365.5 Ų65.516%0.15539%0.39CS..THydrogen-bonded Turntrans-87.5-10177.6-65.90000114D177 M181 V182 C190 D192D177-C179 PolarHBondContact O-N 3.24Å; D177-C179 WeakPolarHBondContact OD1-CA 3.21Å; D177-C179 WeakPolarHBondContact OD1-CB 3.02Å; D177-C179 PolarHBondContact OD1-N 3.1Å; C179-M181 PolarHBondContact O-N 3.33Å; C179-M181 VanDerWaalsContact O-N 3.14Å; C179-V182 PolarHBondContact O-N 3.17Å; C179-C190 VanDerWaalsContact CA-SG 3.5Å; C179-C190 HydrophobicContact CB-CB 3.66Å; C179-C190 WeakPolarHBondContact CB-SG 3.41Å; C179-C190 VanDerWaalsContact SG-C 3.53Å; C179-C190 WeakPolarHBondContact SG-CB 3.37Å; C179-C190 CovalentContact SG-SG 2.03Å; C179-C190 PolarHBondContact SG-SG 3.26Å; C179-D192 PolarHBondContact SG-N 3.04Å
180L93.4Very high94.2Very high128 Ų12866.1 Ų66.167%0.6739%0.389SS*.THydrogen-bonded Turntrans-59.4-28.2-177-72.8173.9000114.1D177 V182D177-L180 HydrophobicContact CB-CD1 4Å; D177-L180 HydrophobicContact CB-CG 3.83Å; D177-L180 WeakPolarHBondContact O-CG 3.48Å; D177-L180 PolarHBondContact O-N 3.16Å; L180-V182 PolarHBondContact O-N 3.27Å
181M88.7Confident94.3Very high174 Ų17464.5 Ų64.586%0.85738%0.378SS*.THydrogen-bonded Turntrans-86.69.5177.8-65-61.4-67.700113.5C179C179-M181 PolarHBondContact O-N 3.33Å; C179-M181 VanDerWaalsContact O-N 3.14Å
182V87.2Confident94.4Very high114 Ų11462.6 Ų62.669%0.69138%0.375SS*.  trans48.161.6-179.1-165.10000111.8C179 L180 C184C179-V182 PolarHBondContact O-N 3.17Å; L180-V182 PolarHBondContact O-N 3.27Å; V182-C184 VanDerWaalsContact C-N 3.25Å; V182-C184 PolarHBondContact O-N 2.83Å
183P90.8Very high94.3Very high29 Ų2963.3 Ų63.319%0.18838%0.382CS..  trans-70.3-22.5-174.628.4-34.8000113.1F197 F209P183-F197 HydrophobicContact CB-CD1 4.31Å; P183-F197 HydrophobicContact CB-CD2 3.93Å; P183-F197 HydrophobicContact CB-CE1 4.03Å; P183-F197 HydrophobicContact CB-CE2 3.63Å; P183-F197 HydrophobicContact CB-CG 4.29Å; P183-F197 HydrophobicContact CB-CZ 3.71Å; P183-F197 HydrophobicContact CG-CB 4.42Å; P183-F197 HydrophobicContact CG-CD1 4.07Å; P183-F197 HydrophobicContact CG-CD2 3.53Å; P183-F197 HydrophobicContact CG-CE1 4.3Å; P183-F197 HydrophobicContact CG-CE2 3.8Å; P183-F197 HydrophobicContact CG-CG 3.71Å; P183-F197 HydrophobicContact CG-CZ 4.2Å; P183-F209 HydrophobicContact CB-CD1 4.35Å; P183-F209 HydrophobicContact CB-CE1 4.4Å; P183-F209 VanDerWaalsContact O-CD1 3.27Å; P183-F209 WeakPolarHBondContact O-CD1 3.48Å
184C95.9Very high94.2Very high14 Ų1462 Ų6210%0.09538%0.38CS..  trans-89.2132.6-174.3-51.60000112.1V182 A188 C190 C199V182-C184 VanDerWaalsContact C-N 3.25Å; V182-C184 PolarHBondContact O-N 2.83Å; C184-A188 HydrophobicContact CB-CB 3.86Å; C184-C190 HydrophobicContact CB-CB 4.46Å; C184-C190 WeakPolarHBondContact SG-CB 3.23Å; C184-C199 WeakPolarHBondContact CA-SG 3.37Å; C184-C199 HydrophobicContact CB-CB 3.76Å; C184-C199 WeakPolarHBondContact CB-SG 3.48Å; C184-C199 WeakPolarHBondContact SG-CA 3.07Å; C184-C199 WeakPolarHBondContact SG-CB 3.33Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.44Å
185A94.3Very high94.1Very high32 Ų3263.1 Ų63.126%0.26438%0.383SS..  trans-96.8178.4179.600000112.9G187 A188 F209 T211A185-G187 PolarHBondContact O-N 3.16Å; A185-G187 VanDerWaalsContact O-N 3.07Å; A185-A188 WeakPolarHBondContact O-CB 3.41Å; A185-A188 PolarHBondContact O-N 2.03Å; A185-F209 WeakPolarHBondContact CB-O 3.46Å; A185-F209 PolarHBondContact N-O 3.38Å; A185-T211 HydrophobicContact CB-CG2 3.56Å
186S92.4Very high94Very high57 Ų5767.6 Ų67.640%0.39940%0.396SS..THydrogen-bonded Turntrans57.726.9168.5-46.80000115.1A188 P202 F205 C210S186-A188 VanDerWaalsContact C-N 3.31Å; S186-P202 WeakPolarHBondContact O-CG 3.36Å; S186-F205 WeakPolarHBondContact OG-CD1 3.43Å; S186-F205 VanDerWaalsContact OG-CE1 3.28Å; S186-F205 WeakPolarHBondContact OG-CE1 3.3Å; S186-C210 PolarHBondContact OG-O 3.17Å
187G89.4Confident94Very high76 Ų7665.6 Ų65.678%0.78439%0.385SS*.THydrogen-bonded Turntrans74.916.6-177.400000114.5A185A185-G187 PolarHBondContact O-N 3.16Å; A185-G187 VanDerWaalsContact O-N 3.07Å
188A95.1Very high94Very high17 Ų1765.6 Ų65.614%0.1439%0.39CS..PPolyproline II helixtrans-65.7147.117600000112.5C184 A185 S186 L200 C210C184-A188 HydrophobicContact CB-CB 3.86Å; A185-A188 WeakPolarHBondContact O-CB 3.41Å; A185-A188 PolarHBondContact O-N 2.03Å; S186-A188 VanDerWaalsContact C-N 3.31Å; A188-L200 WeakPolarHBondContact CA-O 3.04Å; A188-L200 WeakPolarHBondContact CB-O 3.43Å; A188-C210 HydrophobicContact CB-CB 3.78Å; A188-C210 VanDerWaalsContact CB-SG 3.56Å
189T96.1Very high94.1Very high91 Ų9164.5 Ų64.556%0.55839%0.386SS*.EExtended strand (participates in β ladder)trans-84.3122.4175.7-57.30000109.4L200T189-L200 PolarHBondContact N-O 3.48Å; T189-L200 PolarHBondContact O-N 3.36Å
190C97.3Very high94.2Very high38 Ų3868.4 Ų68.426%0.25741%0.405SS..EExtended strand (participates in β ladder)trans-81134.3173.4-168.60000110.2C179 C184C179-C190 VanDerWaalsContact CA-SG 3.5Å; C179-C190 HydrophobicContact CB-CB 3.66Å; C179-C190 WeakPolarHBondContact CB-SG 3.41Å; C179-C190 VanDerWaalsContact SG-C 3.53Å; C179-C190 WeakPolarHBondContact SG-CB 3.37Å; C179-C190 CovalentContact SG-SG 2.03Å; C179-C190 PolarHBondContact SG-SG 3.26Å; C184-C190 HydrophobicContact CB-CB 4.46Å; C184-C190 WeakPolarHBondContact SG-CB 3.23Å
191V96.8Very high94.3Very high65 Ų6564.6 Ų64.639%0.39439%0.388SS..EExtended strand (participates in β ladder)trans-115.8116.8174.3-178.80000107.4F197 S198 L200V191-F197 CarbonylContact O-C 3.57Å; V191-F197 WeakPolarHBondContact O-CA 3.5Å; V191-S198 PolarHBondContact N-O 2.95Å; V191-S198 PolarHBondContact O-N 2.91Å; V191-L200 HydrophobicContact CG2-CD1 3.72Å; V191-L200 HydrophobicContact CG2-CD2 4.4Å; V191-L200 HydrophobicContact CG2-CG 3.76Å
192D96.1Very high94.5Very high63 Ų6358.6 Ų58.634%0.33736%0.362SS..  trans-67.9156.2177-177.947.4000111.8D177 D178 C179D177-D192 WeakPolarHBondContact CA-OD1 3.29Å; D178-D192 PolarHBondContact N-OD1 2.81Å; C179-D192 PolarHBondContact SG-N 3.04Å
193G93.8Very high94.7Very high14 Ų1459.1 Ų59.114%0.14437%0.365CS..  trans-168.8167.3173.600000111.2N195 R196G193-N195 PolarHBondContact O-N 3.26Å; G193-R196 CarbonylContact C-O 3.59Å; G193-R196 WeakPolarHBondContact CA-O 3.41Å; G193-R196 PolarHBondContact N-O 3.2Å; G193-R196 PolarHBondContact O-N 2.82Å
194V95.3Very high94.7Very high60 Ų6058 Ų5836%0.36436%0.359SS..THydrogen-bonded Turntrans-61.6111.6-175.1-177.10000112F167 D175 R196F167-V194 HydrophobicContact CD2-CG1 4.33Å; F167-V194 HydrophobicContact CE1-CG1 4.43Å; F167-V194 HydrophobicContact CE1-CG2 4.33Å; F167-V194 HydrophobicContact CE2-CG1 3.42Å; F167-V194 VanDerWaalsContact CE2-CG1 3.42Å; F167-V194 HydrophobicContact CZ-CB 4.26Å; F167-V194 HydrophobicContact CZ-CG1 3.49Å; F167-V194 VanDerWaalsContact CZ-CG1 3.49Å; F167-V194 HydrophobicContact CZ-CG2 3.72Å; D175-V194 WeakPolarHBondContact OD2-CG2 3.42Å; V194-R196 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-NH1 2.02Å; V194-R196 VanDerWaalsContact O-NH1 3.09Å
195N94.5Very high94.7Very high94 Ų9459.3 Ų59.350%0.50336%0.363SS..THydrogen-bonded Turntrans5429.6179.4-163.754.6000113G166 D178 G193G166-N195 PolarHBondContact N-OD1 3.33Å; D178-N195 VanDerWaalsContact OD2-C 3.31Å; D178-N195 WeakPolarHBondContact OD2-CA 3.05Å; D178-N195 PolarHBondContact OD2-N 3.23Å; G193-N195 PolarHBondContact O-N 3.26Å
196R94.5Very high94.7Very high147 Ų14759.5 Ų59.556%0.55536%0.363SS*.  trans-164.4145.5179.372.5-172.1-174.6-76.4-2.6110D178 G193 V194D178-R196 PolarHBondContact OD2-N 2.9Å; G193-R196 CarbonylContact C-O 3.59Å; G193-R196 WeakPolarHBondContact CA-O 3.41Å; G193-R196 PolarHBondContact N-O 3.2Å; G193-R196 PolarHBondContact O-N 2.82Å; V194-R196 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-NH1 2.02Å; V194-R196 VanDerWaalsContact O-NH1 3.09Å
197F95.4Very high94.7Very high30 Ų3058.9 Ų58.913%0.13237%0.365CS..  trans-110.8163.1165.966.7-83.4000111.2D178 P183 V191 F209D178-F197 HydrophobicContact CB-CB 3.91Å; D178-F197 HydrophobicContact CB-CD1 4.4Å; P183-F197 HydrophobicContact CB-CD1 4.31Å; P183-F197 HydrophobicContact CB-CD2 3.93Å; P183-F197 HydrophobicContact CB-CE1 4.03Å; P183-F197 HydrophobicContact CB-CE2 3.63Å; P183-F197 HydrophobicContact CB-CG 4.29Å; P183-F197 HydrophobicContact CB-CZ 3.71Å; P183-F197 HydrophobicContact CG-CB 4.42Å; P183-F197 HydrophobicContact CG-CD1 4.07Å; P183-F197 HydrophobicContact CG-CD2 3.53Å; P183-F197 HydrophobicContact CG-CE1 4.3Å; P183-F197 HydrophobicContact CG-CE2 3.8Å; P183-F197 HydrophobicContact CG-CG 3.71Å; P183-F197 HydrophobicContact CG-CZ 4.2Å; V191-F197 CarbonylContact O-C 3.57Å; V191-F197 WeakPolarHBondContact O-CA 3.5Å; F197-F209 HydrophobicContact CE1-CE1 4.38Å; F197-F209 HydrophobicContact CE2-CD1 4.05Å; F197-F209 HydrophobicContact CE2-CE1 4.03Å; F197-F209 AromaticContact CZ-CD1 3.9Å; F197-F209 HydrophobicContact CZ-CD1 3.9Å; F197-F209 AromaticContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CZ 4.22Å
198S96.1Very high94.9Very high67 Ų6763.2 Ų63.247%0.46936%0.358SS..EExtended strand (participates in β ladder)trans-130.7135.8168.2-63.80000110.5V191V191-S198 PolarHBondContact N-O 2.95Å; V191-S198 PolarHBondContact O-N 2.91Å
199C97.4Very high94.9Very high21 Ų2166.7 Ų66.714%0.14237%0.37CS..EExtended strand (participates in β ladder)trans-98.8124.5176.5-60.20000110.5C184 C201 R208 C210C184-C199 WeakPolarHBondContact CA-SG 3.37Å; C184-C199 HydrophobicContact CB-CB 3.76Å; C184-C199 WeakPolarHBondContact CB-SG 3.48Å; C184-C199 WeakPolarHBondContact SG-CA 3.07Å; C184-C199 WeakPolarHBondContact SG-CB 3.33Å; C184-C199 CovalentContact SG-SG 2.03Å; C184-C199 PolarHBondContact SG-SG 3.44Å; C199-C201 PolarHBondContact O-N 3.35Å; C199-R208 WeakPolarHBondContact CB-O 3.48Å; C199-R208 PolarHBondContact SG-O 3.23Å; C199-C210 WeakPolarHBondContact CB-SG 3.46Å
200L96.9Very high94.9Very high106 Ų10662.3 Ų62.356%0.55534%0.343SS*.EExtended strand (participates in β ladder)trans-84.3100169.3-58-179.6000108.5A188 T189 V191A188-L200 WeakPolarHBondContact CA-O 3.04Å; A188-L200 WeakPolarHBondContact CB-O 3.43Å; T189-L200 PolarHBondContact N-O 3.48Å; T189-L200 PolarHBondContact O-N 3.36Å; V191-L200 HydrophobicContact CG2-CD1 3.72Å; V191-L200 HydrophobicContact CG2-CD2 4.4Å; V191-L200 HydrophobicContact CG2-CG 3.76Å
201C96.1Very high94.8Very high48 Ų4864.9 Ų64.932%0.32436%0.358SS..PPolyproline II helixtrans-71.4137-176.5-56.80000111.8C199 F205 G207 C210C199-C201 PolarHBondContact O-N 3.35Å; C201-F205 HydrophobicContact CB-CB 4.28Å; C201-F205 VanDerWaalsContact CB-O 3.27Å; C201-F205 WeakPolarHBondContact CB-O 3.22Å; C201-G207 PolarHBondContact SG-O 3.37Å; C201-C210 WeakPolarHBondContact CA-SG 3.42Å; C201-C210 HydrophobicContact CB-CB 3.77Å; C201-C210 WeakPolarHBondContact CB-SG 3.39Å; C201-C210 VanDerWaalsContact SG-CA 3.5Å; C201-C210 WeakPolarHBondContact SG-CB 3.34Å; C201-C210 CovalentContact SG-SG 2.04Å; C201-C210 PolarHBondContact SG-SG 3.18Å
202P94Very high94.6Very high47 Ų4765.4 Ų65.431%0.30536%0.361SS..PPolyproline II helixtrans-66.9162.5169.225.7-28.1000110.6S186 G204 F205S186-P202 WeakPolarHBondContact O-CG 3.36Å; P202-G204 PolarHBondContact O-N 2.04Å; P202-F205 HydrophobicContact CG-CB 4.4Å; P202-F205 HydrophobicContact CG-CD2 3.84Å; P202-F205 HydrophobicContact CG-CG 4.44Å; P202-F205 PolarHBondContact O-N 2.83Å
203V91.3Very high94.4Very high125 Ų12565 Ų6576%0.75836%0.359SS*.THydrogen-bonded Turntrans-53.7132.7179.3-179.70000110.2
204G91.1Very high94.3Very high6 Ų668.6 Ų68.66%0.06237%0.373CS..THydrogen-bonded Turntrans87.1-5.9-177.500000115.5P202 N213 M214 G233P202-G204 PolarHBondContact O-N 2.04Å; G204-N213 CarbonylContact O-C 3.59Å; G204-N213 PolarHBondContact O-OD1 3.45Å; G204-N213 VanDerWaalsContact O-OD1 3.07Å; G204-M214 WeakPolarHBondContact O-CB 3.47Å; G204-M214 PolarHBondContact O-N 2.86Å; G204-G233 VanDerWaalsContact CA-CA 3.47Å
205F94.9Very high94.2Very high41 Ų4170.2 Ų70.218%0.1838%0.38CS..EExtended strand (participates in β ladder)trans-112.9148.1175.8-70-87.2000112.3S186 C201 P202 C210 V212 N213 M214 A232S186-F205 WeakPolarHBondContact OG-CD1 3.43Å; S186-F205 VanDerWaalsContact OG-CE1 3.28Å; S186-F205 WeakPolarHBondContact OG-CE1 3.3Å; C201-F205 HydrophobicContact CB-CB 4.28Å; C201-F205 VanDerWaalsContact CB-O 3.27Å; C201-F205 WeakPolarHBondContact CB-O 3.22Å; P202-F205 HydrophobicContact CG-CB 4.4Å; P202-F205 HydrophobicContact CG-CD2 3.84Å; P202-F205 HydrophobicContact CG-CG 4.44Å; P202-F205 PolarHBondContact O-N 2.83Å; F205-C210 HydrophobicContact CB-CB 4.34Å; F205-C210 WeakPolarHBondContact CD1-O 3.3Å; F205-V212 CarbonylContact C-O 3.38Å; F205-V212 WeakPolarHBondContact CA-O 3.46Å; F205-N213 HydrophobicContact CE1-CB 4.41Å; F205-M214 WeakPolarHBondContact O-CE 3.06Å; F205-A232 HydrophobicContact CE2-CB 3.61Å; F205-A232 HydrophobicContact CZ-CB 3.79Å
206S93.4Very high94.1Very high37 Ų3767.9 Ų67.926%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-143175.3-178.169.90000112.9C210 V212S206-C210 WeakPolarHBondContact O-CA 3.47Å; S206-V212 PolarHBondContact N-O 2.6Å; S206-V212 WeakPolarHBondContact O-CB 3.39Å; S206-V212 PolarHBondContact O-N 2.77Å; S206-V212 PolarHBondContact OG-O 3.24Å
207G93.4Very high94.1Very high44 Ų4462 Ų6245%0.45435%0.348SS..SBendtrans88.6167-178.200000113.2C201 F209 C210C201-G207 PolarHBondContact SG-O 3.37Å; G207-F209 PolarHBondContact O-N 3.32Å; G207-F209 VanDerWaalsContact O-N 3.13Å; G207-C210 PolarHBondContact O-N 3.41Å; G207-C210 VanDerWaalsContact O-N 3.13Å
208R93.6Very high94Very high167 Ų16763.9 Ų63.963%0.6337%0.37SS*.THydrogen-bonded Turntrans-56.7-32-175.4-178176178.5178.6-1113.7C199C199-R208 WeakPolarHBondContact CB-O 3.48Å; C199-R208 PolarHBondContact SG-O 3.23Å
209F95.6Very high93.9Very high89 Ų8965.3 Ų65.339%0.3938%0.38SS..THydrogen-bonded Turntrans-1105.6-177.3-56.3-76.9000113.1P183 A185 F197 G207 T211P183-F209 HydrophobicContact CB-CD1 4.35Å; P183-F209 HydrophobicContact CB-CE1 4.4Å; P183-F209 VanDerWaalsContact O-CD1 3.27Å; P183-F209 WeakPolarHBondContact O-CD1 3.48Å; A185-F209 WeakPolarHBondContact CB-O 3.46Å; A185-F209 PolarHBondContact N-O 3.38Å; F197-F209 HydrophobicContact CE1-CE1 4.38Å; F197-F209 HydrophobicContact CE2-CD1 4.05Å; F197-F209 HydrophobicContact CE2-CE1 4.03Å; F197-F209 AromaticContact CZ-CD1 3.9Å; F197-F209 HydrophobicContact CZ-CD1 3.9Å; F197-F209 AromaticContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CE1 3.39Å; F197-F209 HydrophobicContact CZ-CZ 4.22Å; G207-F209 PolarHBondContact O-N 3.32Å; G207-F209 VanDerWaalsContact O-N 3.13Å; F209-T211 HydrophobicContact CB-CG2 3.94Å; F209-T211 PolarHBondContact O-N 3.16Å
210C96Very high93.7Very high0 Ų071.8 Ų71.80%041%0.408CS..SBendtrans56.430.5-176.9-480000114.7S186 A188 C199 C201 F205 S206 G207S186-C210 PolarHBondContact OG-O 3.17Å; A188-C210 HydrophobicContact CB-CB 3.78Å; A188-C210 VanDerWaalsContact CB-SG 3.56Å; C199-C210 WeakPolarHBondContact CB-SG 3.46Å; C201-C210 WeakPolarHBondContact CA-SG 3.42Å; C201-C210 HydrophobicContact CB-CB 3.77Å; C201-C210 WeakPolarHBondContact CB-SG 3.39Å; C201-C210 VanDerWaalsContact SG-CA 3.5Å; C201-C210 WeakPolarHBondContact SG-CB 3.34Å; C201-C210 CovalentContact SG-SG 2.04Å; C201-C210 PolarHBondContact SG-SG 3.18Å; F205-C210 HydrophobicContact CB-CB 4.34Å; F205-C210 WeakPolarHBondContact CD1-O 3.3Å; S206-C210 WeakPolarHBondContact O-CA 3.47Å; G207-C210 PolarHBondContact O-N 3.41Å; G207-C210 VanDerWaalsContact O-N 3.13Å
211T94.6Very high93.7Very high92 Ų9267.6 Ų67.656%0.56439%0.387SS*.  trans-89.9-10.5179.953.70000113.3A185 F209A185-T211 HydrophobicContact CB-CG2 3.56Å; F209-T211 HydrophobicContact CB-CG2 3.94Å; F209-T211 PolarHBondContact O-N 3.16Å
212V92.5Very high93.7Very high76 Ų7666.2 Ų66.246%0.46138%0.378SS..EExtended strand (participates in β ladder)trans-98.9112.9-175.1-177.30000109.2F205 S206 M214F205-V212 CarbonylContact C-O 3.38Å; F205-V212 WeakPolarHBondContact CA-O 3.46Å; S206-V212 PolarHBondContact N-O 2.6Å; S206-V212 WeakPolarHBondContact O-CB 3.39Å; S206-V212 PolarHBondContact O-N 2.77Å; S206-V212 PolarHBondContact OG-O 3.24Å; V212-M214 PolarHBondContact O-N 2.82Å
213N91.6Very high93.8Very high53 Ų5371.6 Ų71.628%0.28339%0.392SS..EExtended strand (participates in β ladder)trans-68127.9167.1-164.840.8000108.9G204 F205 D230 R231 A232G204-N213 CarbonylContact O-C 3.59Å; G204-N213 PolarHBondContact O-OD1 3.45Å; G204-N213 VanDerWaalsContact O-OD1 3.07Å; F205-N213 HydrophobicContact CE1-CB 4.41Å; N213-D230 PolarHBondContact ND2-OD2 3.27Å; N213-R231 PolarHBondContact ND2-O 3.32Å; N213-A232 WeakPolarHBondContact OD1-CA 3.11Å
214M93.2Very high93.9Very high90 Ų9069.4 Ų69.444%0.44338%0.376SS..  trans-70.7134.1173-65.9-171.1-166.500108.6G204 F205 V212 D216G204-M214 WeakPolarHBondContact O-CB 3.47Å; G204-M214 PolarHBondContact O-N 2.86Å; F205-M214 WeakPolarHBondContact O-CE 3.06Å; V212-M214 PolarHBondContact O-N 2.82Å; M214-D216 PolarHBondContact O-N 2.96Å
215D92Very high93.9Very high95 Ų9571.3 Ų71.351%0.50840%0.396SS..  trans-77.494.3177.9-1793.5000110.2C217 A218D215-C217 PolarHBondContact O-N 3.21Å; D215-C217 VanDerWaalsContact OD1-CA 3.31Å; D215-C217 WeakPolarHBondContact OD1-CA 3.48Å; D215-C217 WeakPolarHBondContact OD1-CB 3.34Å; D215-C217 PolarHBondContact OD1-N 3.08Å; D215-A218 HydrophobicContact CB-CB 4.32Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 2.96Å
216D93.1Very high93.9Very high45 Ų4570 Ų7024%0.24139%0.394CS..THydrogen-bonded Turntrans-68.4-13.5177.6-72-64.4000112.3M214 D230 G234 F235M214-D216 PolarHBondContact O-N 2.96Å; D216-D230 PolarHBondContact N-OD1 3.19Å; D216-D230 VanDerWaalsContact N-OD1 3.12Å; D216-G234 WeakPolarHBondContact CB-O 3.1Å; D216-G234 VanDerWaalsContact OD2-CA 3.27Å; D216-G234 WeakPolarHBondContact OD2-CA 3.07Å; D216-G234 PolarHBondContact OD2-N 3.01Å; D216-F235 HydrophobicContact CB-CB 3.96Å; D216-F235 HydrophobicContact CB-CD1 4.38Å
217C94.6Very high94Very high22 Ų2276.5 Ų76.515%0.14941%0.413CS..THydrogen-bonded Turntrans-86.1-10175.3-68.10000114D215 S219 Q220 C228 D230D215-C217 PolarHBondContact O-N 3.21Å; D215-C217 VanDerWaalsContact OD1-CA 3.31Å; D215-C217 WeakPolarHBondContact OD1-CA 3.48Å; D215-C217 WeakPolarHBondContact OD1-CB 3.34Å; D215-C217 PolarHBondContact OD1-N 3.08Å; C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.16Å; C217-Q220 WeakPolarHBondContact O-CA 3.32Å; C217-Q220 PolarHBondContact O-N 3.28Å; C217-C228 WeakPolarHBondContact CA-SG 3.13Å; C217-C228 HydrophobicContact CB-CB 3.67Å; C217-C228 WeakPolarHBondContact CB-SG 2.99Å; C217-C228 VanDerWaalsContact SG-C 3.54Å; C217-C228 WeakPolarHBondContact SG-CB 3.46Å; C217-C228 CovalentContact SG-SG 2.03Å; C217-C228 PolarHBondContact SG-SG 3.46Å; C217-D230 PolarHBondContact SG-N 2.93Å; C217-D230 VanDerWaalsContact SG-N 3.37Å
218A93.3Very high94.2Very high71 Ų7176 Ų7659%0.58740%0.402SS*.THydrogen-bonded Turntrans-58.6-31.3-177.600000113.2D215 Q220D215-A218 HydrophobicContact CB-CB 4.32Å; D215-A218 WeakPolarHBondContact O-CB 3.42Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 2.96Å; A218-Q220 PolarHBondContact O-N 3.17Å
219S93.6Very high94.2Very high97 Ų9770.6 Ų70.668%0.67839%0.385SS*.THydrogen-bonded Turntrans-77.7-2.3176.365.30000114.3C217C217-S219 PolarHBondContact O-N 3.27Å; C217-S219 VanDerWaalsContact O-N 3.16Å
220Q94.1Very high94.1Very high157 Ų15769.5 Ų69.573%0.73438%0.384SS*.  trans51.258.5-174.2-57.4178.726.300113C217 A218 C222C217-Q220 WeakPolarHBondContact O-CA 3.32Å; C217-Q220 PolarHBondContact O-N 3.28Å; A218-Q220 PolarHBondContact O-N 3.17Å; Q220-C222 VanDerWaalsContact C-N 3.26Å; Q220-C222 PolarHBondContact O-N 2.92Å
221P95.4Very high93.7Very high18 Ų1875.5 Ų75.512%0.11741%0.406CS..  trans-69.4-23.5-173.728.4-35000113.3R223 F235 T247P221-R223 PolarHBondContact O-N 2.79Å; P221-F235 HydrophobicContact CB-CD1 4.17Å; P221-F235 HydrophobicContact CB-CD2 4.05Å; P221-F235 HydrophobicContact CB-CE1 3.73Å; P221-F235 HydrophobicContact CB-CE2 3.6Å; P221-F235 HydrophobicContact CB-CG 4.33Å; P221-F235 HydrophobicContact CB-CZ 3.44Å; P221-F235 VanDerWaalsContact CB-CZ 3.44Å; P221-F235 HydrophobicContact CG-CB 4.39Å; P221-F235 HydrophobicContact CG-CD1 3.74Å; P221-F235 HydrophobicContact CG-CD2 3.53Å; P221-F235 HydrophobicContact CG-CE1 3.85Å; P221-F235 HydrophobicContact CG-CE2 3.65Å; P221-F235 HydrophobicContact CG-CG 3.59Å; P221-F235 HydrophobicContact CG-CZ 3.81Å; P221-T247 WeakPolarHBondContact O-CB 3.41Å; P221-T247 WeakPolarHBondContact O-CG2 3.5Å
222C96.6Very high93.4Very high19 Ų1974.2 Ų74.213%0.12841%0.405CS..  trans-78.7121.1-178.7-52.70000112.1Q220 C228 C237Q220-C222 VanDerWaalsContact C-N 3.26Å; Q220-C222 PolarHBondContact O-N 2.92Å; C222-C228 HydrophobicContact CB-CB 4.43Å; C222-C228 WeakPolarHBondContact SG-CA 3.21Å; C222-C228 WeakPolarHBondContact SG-CB 3.05Å; C222-C228 VanDerWaalsContact SG-SG 3.7Å; C222-C237 WeakPolarHBondContact CA-SG 3.34Å; C222-C237 HydrophobicContact CB-CB 3.81Å; C222-C237 WeakPolarHBondContact CB-SG 3.14Å; C222-C237 WeakPolarHBondContact SG-CA 3.06Å; C222-C237 WeakPolarHBondContact SG-CB 3.02Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.37Å
223R95.2Very high93Very high159 Ų15972.2 Ų72.260%0.640%0.4SS*.  trans-88.2172.6179.3-56.8-61.4-175.9171.7-1.2111.8P221 G225 G226 T247P221-R223 PolarHBondContact O-N 2.79Å; R223-G225 PolarHBondContact O-N 3.09Å; R223-G226 PolarHBondContact O-N 3.21Å; R223-T247 WeakPolarHBondContact CB-O 2.98Å; R223-T247 PolarHBondContact N-O 3.1Å
224N94.1Very high92.9Very high79 Ų7970.8 Ų70.842%0.42240%0.397SS..THydrogen-bonded Turntrans54.432.5171.1-59.5-41.5000114.7G226 F243 C248N224-G226 VanDerWaalsContact C-N 3.29Å; N224-G226 PolarHBondContact O-N 3.4Å; N224-F243 HydrophobicContact CB-CD1 3.59Å; N224-F243 HydrophobicContact CB-CE1 3.52Å; N224-F243 HydrophobicContact CB-CG 4.15Å; N224-F243 HydrophobicContact CB-CZ 4.01Å; N224-F243 VanDerWaalsContact CG-CE1 3.42Å; N224-F243 WeakPolarHBondContact ND2-CD1 3.16Å; N224-F243 WeakPolarHBondContact ND2-CE1 3.46Å; N224-C248 PolarHBondContact ND2-O 3.2Å
225G90.8Very high92.9Very high47 Ų4770.2 Ų70.249%0.48539%0.392SS..THydrogen-bonded Turntrans69.522.6179.600000114.4R223 R240R223-G225 PolarHBondContact O-N 3.09Å; G225-R240 PolarHBondContact O-NE 2.75Å
226G94.6Very high93.1Very high14 Ų1471.8 Ų71.814%0.14439%0.391CS..PPolyproline II helixtrans-67.5148169.900000112.3R223 N224 L238R223-G226 PolarHBondContact O-N 3.21Å; N224-G226 VanDerWaalsContact C-N 3.29Å; N224-G226 PolarHBondContact O-N 3.4Å; G226-L238 CarbonylContact C-O 3.39Å; G226-L238 VanDerWaalsContact CA-O 3.3Å; G226-L238 WeakPolarHBondContact CA-O 3.34Å
227R96.2Very high93.2Very high173 Ų17370.4 Ų70.465%0.65339%0.385SS*.EExtended strand (participates in β ladder)trans-86.7125.7177.4178.3178.1176.3-172.1-0.5109.7L238R227-L238 HydrophobicContact CB-CB 4.3Å; R227-L238 PolarHBondContact N-O 2.9Å; R227-L238 PolarHBondContact O-N 2.03Å
228C97.1Very high93.3Very high34 Ų3472.6 Ų72.623%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-82.1138.1174.6-164.50000111.1C217 C222C217-C228 WeakPolarHBondContact CA-SG 3.13Å; C217-C228 HydrophobicContact CB-CB 3.67Å; C217-C228 WeakPolarHBondContact CB-SG 2.99Å; C217-C228 VanDerWaalsContact SG-C 3.54Å; C217-C228 WeakPolarHBondContact SG-CB 3.46Å; C217-C228 CovalentContact SG-SG 2.03Å; C217-C228 PolarHBondContact SG-SG 3.46Å; C222-C228 HydrophobicContact CB-CB 4.43Å; C222-C228 WeakPolarHBondContact SG-CA 3.21Å; C222-C228 WeakPolarHBondContact SG-CB 3.05Å; C222-C228 VanDerWaalsContact SG-SG 3.7Å
229L95.2Very high93.4Very high53 Ų5371.3 Ų71.328%0.27738%0.381SS..EExtended strand (participates in β ladder)trans-117.6119170-60.4177.6000108.4F235 R236 L238L229-F235 CarbonylContact O-C 3.57Å; L229-F235 WeakPolarHBondContact O-CA 3.34Å; L229-R236 HydrophobicContact CB-CB 4.45Å; L229-R236 WeakPolarHBondContact CB-O 3.41Å; L229-R236 PolarHBondContact N-O 3.23Å; L229-R236 PolarHBondContact O-N 2.03Å; L229-L238 HydrophobicContact CD1-CD1 3.79Å; L229-L238 HydrophobicContact CD1-CD2 4.09Å; L229-L238 HydrophobicContact CD1-CG 3.79Å; L229-L238 HydrophobicContact CD2-CD1 4.27Å; L229-L238 HydrophobicContact CG-CD1 4.1Å; L229-L238 HydrophobicContact CG-CG 4.12Å
230D92.1Very high93.4Very high66 Ų6674.1 Ų74.135%0.35338%0.377SS..EExtended strand (participates in β ladder)trans-66.8142.1173.9-175.634.6000110.5N213 D216 C217N213-D230 PolarHBondContact ND2-OD2 3.27Å; D216-D230 PolarHBondContact N-OD1 3.19Å; D216-D230 VanDerWaalsContact N-OD1 3.12Å; C217-D230 PolarHBondContact SG-N 2.93Å; C217-D230 VanDerWaalsContact SG-N 3.37Å
231R89Confident93.2Very high126 Ų12672.7 Ų72.748%0.47538%0.381SS..EExtended strand (participates in β ladder)trans-138.7165.6175.8-58.8-174.1159.9-146.8-12.5109.2N213 G233 G234N213-R231 PolarHBondContact ND2-O 3.32Å; R231-G233 PolarHBondContact O-N 3.34Å; R231-G234 CarbonylContact C-O 3.57Å; R231-G234 VanDerWaalsContact CA-O 3.28Å; R231-G234 WeakPolarHBondContact CA-O 3Å; R231-G234 WeakPolarHBondContact CB-O 2.98Å; R231-G234 PolarHBondContact N-O 3.26Å
232A86.6Confident92.7Very high65 Ų6573.9 Ų73.954%0.53740%0.397SS..THydrogen-bonded Turntrans-65.6107.2171.100000110.4F205 N213F205-A232 HydrophobicContact CE2-CB 3.61Å; F205-A232 HydrophobicContact CZ-CB 3.79Å; N213-A232 WeakPolarHBondContact OD1-CA 3.11Å
233G84.3Confident92.5Very high34 Ų3475.7 Ų75.735%0.35140%0.402SS..THydrogen-bonded Turntrans78.625.6174.200000114.3G204 R231G204-G233 VanDerWaalsContact CA-CA 3.47Å; R231-G233 PolarHBondContact O-N 3.34Å
234G89.2Confident92.3Very high22 Ų2272.2 Ų72.223%0.22740%0.399CS..EExtended strand (participates in β ladder)trans168.2-176.6174.200000112.7D216 R231D216-G234 WeakPolarHBondContact CB-O 3.1Å; D216-G234 VanDerWaalsContact OD2-CA 3.27Å; D216-G234 WeakPolarHBondContact OD2-CA 3.07Å; D216-G234 PolarHBondContact OD2-N 3.01Å; R231-G234 CarbonylContact C-O 3.57Å; R231-G234 VanDerWaalsContact CA-O 3.28Å; R231-G234 WeakPolarHBondContact CA-O 3Å; R231-G234 WeakPolarHBondContact CB-O 2.98Å; R231-G234 PolarHBondContact N-O 3.26Å
235F94.1Very high92.2Very high78 Ų7870.2 Ų70.234%0.34240%0.397SS..EExtended strand (participates in β ladder)trans-124.6165.6179.664.2-87.8000111.6D216 P221 L229 T247D216-F235 HydrophobicContact CB-CB 3.96Å; D216-F235 HydrophobicContact CB-CD1 4.38Å; P221-F235 HydrophobicContact CB-CD1 4.17Å; P221-F235 HydrophobicContact CB-CD2 4.05Å; P221-F235 HydrophobicContact CB-CE1 3.73Å; P221-F235 HydrophobicContact CB-CE2 3.6Å; P221-F235 HydrophobicContact CB-CG 4.33Å; P221-F235 HydrophobicContact CB-CZ 3.44Å; P221-F235 VanDerWaalsContact CB-CZ 3.44Å; P221-F235 HydrophobicContact CG-CB 4.39Å; P221-F235 HydrophobicContact CG-CD1 3.74Å; P221-F235 HydrophobicContact CG-CD2 3.53Å; P221-F235 HydrophobicContact CG-CE1 3.85Å; P221-F235 HydrophobicContact CG-CE2 3.65Å; P221-F235 HydrophobicContact CG-CG 3.59Å; P221-F235 HydrophobicContact CG-CZ 3.81Å; L229-F235 CarbonylContact O-C 3.57Å; L229-F235 WeakPolarHBondContact O-CA 3.34Å; F235-T247 HydrophobicContact CE2-CG2 4.01Å; F235-T247 HydrophobicContact CZ-CG2 3.97Å
236R95.4Very high92.4Very high129 Ų12973.6 Ų73.649%0.48741%0.409SS..EExtended strand (participates in β ladder)trans-132.2128168-179.5178.3177.8-169.31110.7L229L229-R236 HydrophobicContact CB-CB 4.45Å; L229-R236 WeakPolarHBondContact CB-O 3.41Å; L229-R236 PolarHBondContact N-O 3.23Å; L229-R236 PolarHBondContact O-N 2.03Å
237C96.4Very high92.5Very high15 Ų1574.6 Ų74.610%0.10141%0.412CS..EExtended strand (participates in β ladder)trans-89.3132.8174.2-60.80000112C222 T246 C248C222-C237 WeakPolarHBondContact CA-SG 3.34Å; C222-C237 HydrophobicContact CB-CB 3.81Å; C222-C237 WeakPolarHBondContact CB-SG 3.14Å; C222-C237 WeakPolarHBondContact SG-CA 3.06Å; C222-C237 WeakPolarHBondContact SG-CB 3.02Å; C222-C237 CovalentContact SG-SG 2.02Å; C222-C237 PolarHBondContact SG-SG 3.37Å; C237-T246 WeakPolarHBondContact CB-O 3.32Å; C237-T246 PolarHBondContact SG-O 3.19Å; C237-C248 WeakPolarHBondContact CB-SG 3.41Å
238L96.2Very high92.4Very high68 Ų6866.4 Ų66.436%0.35638%0.381SS..EExtended strand (participates in β ladder)trans-96.7104.8166-63.3-180000108.6G226 R227 L229G226-L238 CarbonylContact C-O 3.39Å; G226-L238 VanDerWaalsContact CA-O 3.3Å; G226-L238 WeakPolarHBondContact CA-O 3.34Å; R227-L238 HydrophobicContact CB-CB 4.3Å; R227-L238 PolarHBondContact N-O 2.9Å; R227-L238 PolarHBondContact O-N 2.03Å; L229-L238 HydrophobicContact CD1-CD1 3.79Å; L229-L238 HydrophobicContact CD1-CD2 4.09Å; L229-L238 HydrophobicContact CD1-CG 3.79Å; L229-L238 HydrophobicContact CD2-CD1 4.27Å; L229-L238 HydrophobicContact CG-CD1 4.1Å; L229-L238 HydrophobicContact CG-CG 4.12Å
239C95.4Very high92.3Very high45 Ų4568.7 Ų68.730%0.30439%0.389SS..PPolyproline II helixtrans-76148.2-176.3-52.80000112.3F243 C248C239-F243 HydrophobicContact CB-CB 4.13Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; C239-C248 WeakPolarHBondContact CA-SG 3.39Å; C239-C248 HydrophobicContact CB-CB 3.77Å; C239-C248 WeakPolarHBondContact CB-SG 3.43Å; C239-C248 PolarHBondContact N-SG 3.35Å; C239-C248 WeakPolarHBondContact SG-CA 3.42Å; C239-C248 WeakPolarHBondContact SG-CB 3.49Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.04Å
240R92.8Very high92.2Very high155 Ų15568.7 Ų68.759%0.58539%0.391SS*.PPolyproline II helixtrans-66.7156169-70-172.9-179.2-162.5-0.5110.1G225 G242 F243G225-R240 PolarHBondContact O-NE 2.75Å; R240-G242 PolarHBondContact O-N 2.8Å; R240-F243 HydrophobicContact CB-CD2 4.21Å; R240-F243 PolarHBondContact O-N 2.03Å
241P90.3Very high91.9Very high128 Ų12869.9 Ų69.983%0.83140%0.402SS*.THydrogen-bonded Turntrans-49.9129.2179.4-27.535.1000112.2F243P241-F243 PolarHBondContact O-N 3.12Å
242G85.6Confident91.5Very high43 Ų4366.9 Ų66.944%0.44340%0.399SS..THydrogen-bonded Turntrans88.1-17.8-179.300000115.6R240 P252R240-G242 PolarHBondContact O-N 2.8Å; G242-P252 WeakPolarHBondContact O-CA 3.35Å; G242-P252 WeakPolarHBondContact O-CB 3Å; G242-P252 WeakPolarHBondContact O-CD 3.02Å; G242-P252 WeakPolarHBondContact O-CG 3.4Å; G242-P252 VanDerWaalsContact O-N 3.09Å
243F91.8Very high91Very high56 Ų5666.9 Ų66.925%0.24640%0.395CS..  trans-89.2140.8173.7-70.1-92.9000111.4N224 C239 R240 P241 C248 T250 P251 P252N224-F243 HydrophobicContact CB-CD1 3.59Å; N224-F243 HydrophobicContact CB-CE1 3.52Å; N224-F243 HydrophobicContact CB-CG 4.15Å; N224-F243 HydrophobicContact CB-CZ 4.01Å; N224-F243 VanDerWaalsContact CG-CE1 3.42Å; N224-F243 WeakPolarHBondContact ND2-CD1 3.16Å; N224-F243 WeakPolarHBondContact ND2-CE1 3.46Å; C239-F243 HydrophobicContact CB-CB 4.13Å; C239-F243 WeakPolarHBondContact CB-O 3.26Å; R240-F243 HydrophobicContact CB-CD2 4.21Å; R240-F243 PolarHBondContact O-N 2.03Å; P241-F243 PolarHBondContact O-N 3.12Å; F243-C248 HydrophobicContact CB-CB 4.5Å; F243-T250 WeakPolarHBondContact CA-O 3.17Å; F243-T250 WeakPolarHBondContact CD1-O 2.97Å; F243-P251 HydrophobicContact CE1-CB 4.18Å; F243-P252 HydrophobicContact CE2-CG 4.43Å
244T91.8Very high90.2Very high86 Ų8671.1 Ų71.153%0.52842%0.417SS..BIsolated β-bridgetrans-132.1178.6179.450.40000111.8C248 E249 T250T244-C248 CarbonylContact O-C 3.53Å; T244-C248 WeakPolarHBondContact O-CA 3.3Å; T244-E249 PolarHBondContact O-N 3.37Å; T244-T250 WeakPolarHBondContact CA-OG1 3.21Å; T244-T250 WeakPolarHBondContact CB-OG1 3.48Å; T244-T250 PolarHBondContact N-O 3.06Å; T244-T250 PolarHBondContact N-OG1 2.76Å; T244-T250 PolarHBondContact O-N 3.12Å; T244-T250 PolarHBondContact O-OG1 3.24Å; T244-T250 PolarHBondContact OG1-OG1 3.28Å
245G92.4Very high88.8Confident38 Ų3874.5 Ų74.539%0.39244%0.442SS..SBendtrans99.2164-177.400000113.2T247 C248 E249G245-T247 PolarHBondContact O-N 3.1Å; G245-C248 PolarHBondContact O-N 3.39Å; G245-E249 WeakPolarHBondContact CA-OE1 2.95Å
246T93.9Very high87Confident117 Ų11777.4 Ų77.472%0.71846%0.461SS*.THydrogen-bonded Turntrans-67.9-27.8-176.249.50000112.3C237C237-T246 WeakPolarHBondContact CB-O 3.32Å; C237-T246 PolarHBondContact SG-O 3.19Å
247T95.8Very high85Confident35 Ų3574.9 Ų74.922%0.21547%0.468CS..THydrogen-bonded Turntrans-112.314.317657.90000113P221 R223 F235 G245 E249P221-T247 WeakPolarHBondContact O-CB 3.41Å; P221-T247 WeakPolarHBondContact O-CG2 3.5Å; R223-T247 WeakPolarHBondContact CB-O 2.98Å; R223-T247 PolarHBondContact N-O 3.1Å; F235-T247 HydrophobicContact CE2-CG2 4.01Å; F235-T247 HydrophobicContact CZ-CG2 3.97Å; G245-T247 PolarHBondContact O-N 3.1Å; T247-E249 VanDerWaalsContact CA-OE2 3.23Å; T247-E249 WeakPolarHBondContact CA-OE2 3.1Å; T247-E249 WeakPolarHBondContact CB-OE2 3.11Å; T247-E249 PolarHBondContact N-OE2 3Å; T247-E249 PolarHBondContact O-N 2.88Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å
248C95.8Very high83.1Confident1 Ų179 Ų791%0.00750%0.497CS..SBendtrans58.828.6-175.3-49.80000114.3N224 C237 C239 F243 T244 G245N224-C248 PolarHBondContact ND2-O 3.2Å; C237-C248 WeakPolarHBondContact CB-SG 3.41Å; C239-C248 WeakPolarHBondContact CA-SG 3.39Å; C239-C248 HydrophobicContact CB-CB 3.77Å; C239-C248 WeakPolarHBondContact CB-SG 3.43Å; C239-C248 PolarHBondContact N-SG 3.35Å; C239-C248 WeakPolarHBondContact SG-CA 3.42Å; C239-C248 WeakPolarHBondContact SG-CB 3.49Å; C239-C248 CovalentContact SG-SG 2.04Å; C239-C248 PolarHBondContact SG-SG 3.04Å; F243-C248 HydrophobicContact CB-CB 4.5Å; T244-C248 CarbonylContact O-C 3.53Å; T244-C248 WeakPolarHBondContact O-CA 3.3Å; G245-C248 PolarHBondContact O-N 3.39Å
249E94.8Very high81.1Confident83 Ų8380.5 Ų80.539%0.38851%0.511SS..  trans-77.2-26.4-175.968.7-71.6169.700113.5T244 G245 T247T244-E249 PolarHBondContact O-N 3.37Å; G245-E249 WeakPolarHBondContact CA-OE1 2.95Å; T247-E249 VanDerWaalsContact CA-OE2 3.23Å; T247-E249 WeakPolarHBondContact CA-OE2 3.1Å; T247-E249 WeakPolarHBondContact CB-OE2 3.11Å; T247-E249 PolarHBondContact N-OE2 3Å; T247-E249 PolarHBondContact O-N 2.88Å; T247-E249 PolarHBondContact OG1-OE2 3.01Å
250T92.7Very high79Confident53 Ų5383.2 Ų83.233%0.32553%0.528SS..BIsolated β-bridgetrans-86124.6-176.959.50000110.7F243 T244F243-T250 WeakPolarHBondContact CA-O 3.17Å; F243-T250 WeakPolarHBondContact CD1-O 2.97Å; T244-T250 WeakPolarHBondContact CA-OG1 3.21Å; T244-T250 WeakPolarHBondContact CB-OG1 3.48Å; T244-T250 PolarHBondContact N-O 3.06Å; T244-T250 PolarHBondContact N-OG1 2.76Å; T244-T250 PolarHBondContact O-N 3.12Å; T244-T250 PolarHBondContact O-OG1 3.24Å; T244-T250 PolarHBondContact OG1-OG1 3.28Å
251P86.5Confident76.9Confident90 Ų9081.5 Ų81.558%0.58453%0.534SS*.PPolyproline II helixtrans-75.8163.5179.931.3-34.8000112F243 S253F243-P251 HydrophobicContact CE1-CB 4.18Å; P251-S253 PolarHBondContact O-N 2.03Å
252P80.3Confident74.4Confident63 Ų6385.7 Ų85.741%0.40953%0.533SS..PPolyproline II helixtrans-60.6122.7175.3-1.34.7000111.4G242 F243G242-P252 WeakPolarHBondContact O-CA 3.35Å; G242-P252 WeakPolarHBondContact O-CB 3Å; G242-P252 WeakPolarHBondContact O-CD 3.02Å; G242-P252 WeakPolarHBondContact O-CG 3.4Å; G242-P252 VanDerWaalsContact O-N 3.09Å; F243-P252 HydrophobicContact CE2-CG 4.43Å
253S76.1Confident72.5Confident65 Ų6589 Ų8946%0.45555%0.546SS..PPolyproline II helixtrans-66.7139.7168.761.10000109.9P251 A255 N256P251-S253 PolarHBondContact O-N 2.03Å; S253-A255 PolarHBondContact O-N 3.29Å; S253-N256 PolarHBondContact O-N 2.96Å
254P66.4Low70.1Confident124 Ų12493 Ų9381%0.80558%0.575SS**G310 helixtrans-59.9-16.6-179.421.1-31.2000114N256P254-N256 VanDerWaalsContact C-N 3.28Å; P254-N256 PolarHBondContact O-N 3.18Å
255A61.1Low67.7Low93 Ų93100.3 Ų100.377%0.76959%0.593SS**G310 helixtrans-72.2-14.6176.300000114.7S253S253-A255 PolarHBondContact O-N 3.29Å
256N55.2Low65.2Low139 Ų139102.5 Ų102.574%0.74361%0.607SS**G310 helixtrans-115.98.3-179.8-109.21.9000113.7S253 P254 S258S253-N256 PolarHBondContact O-N 2.96Å; P254-N256 VanDerWaalsContact C-N 3.28Å; P254-N256 PolarHBondContact O-N 3.18Å; N256-S258 PolarHBondContact O-N 3.06Å
257A52.8Low63.1Low75 Ų75108.9 Ų108.962%0.6262%0.618SS**  trans-77.770168.900000109.4P259A257-P259 VanDerWaalsContact O-CD 3.27Å; A257-P259 WeakPolarHBondContact O-CD 3.02Å
258S56.6Low60.3Low102 Ų102114.3 Ų114.371%0.71365%0.646SS**  trans-67.2117.2161.3-63.50000106.9N256N256-S258 PolarHBondContact O-N 3.06Å
259P55.9Low57.8Low99 Ų99120.1 Ų120.164%0.64368%0.681SS**  trans-58.2149.5172.524-31.3000109.1A257 V261A257-P259 VanDerWaalsContact O-CD 3.27Å; A257-P259 WeakPolarHBondContact O-CD 3.02Å; P259-V261 PolarHBondContact O-N 3.45Å
260P51.1Low55.4Low102 Ų102119.9 Ų119.966%0.66270%0.701SS**  trans-58.5109.7173.624.4-31.8000108.5W262P260-W262 PolarHBondContact O-N 2.8Å
261V48.2Very low52.7Low119 Ų119125.5 Ų125.572%0.72172%0.723SS**  trans-7595.3174.9-176.80000107.2P259 T263P259-V261 PolarHBondContact O-N 3.45Å; V261-T263 HydrophobicContact CG1-CG2 3.79Å; V261-T263 PolarHBondContact O-N 3.49Å
262W37.6Very low51Low216 Ų216130.4 Ų130.482%0.81874%0.738SS**  trans-78.894.6164-57.592.7000107.7P260 T264P260-W262 PolarHBondContact O-N 2.8Å; W262-T264 PolarHBondContact O-N 3.29Å; W262-T264 VanDerWaalsContact O-N 3.12Å
263T45.5Very low49.2Very low114 Ų114134.2 Ų134.270%0.69976%0.755SS**  trans-74.79716656.10000108.5V261 R265V261-T263 HydrophobicContact CG1-CG2 3.79Å; V261-T263 PolarHBondContact O-N 3.49Å; T263-R265 PolarHBondContact O-N 3.09Å; T263-R265 VanDerWaalsContact O-N 3.15Å
264T42.7Very low47.5Very low139 Ų139139.1 Ų139.185%0.85378%0.776SS**  trans-74.497.5160.646.90000107.6W262 A266W262-T264 PolarHBondContact O-N 3.29Å; W262-T264 VanDerWaalsContact O-N 3.12Å; T264-A266 PolarHBondContact O-N 2.93Å
265R41.4Very low46.3Very low240 Ų240144 Ų14491%0.90678%0.779SS**  trans-84.4115.4173.5-142.7-175.6-120.9-173.70.9108.9T263T263-R265 PolarHBondContact O-N 3.09Å; T263-R265 VanDerWaalsContact O-N 3.15Å
266A39.9Very low44.9Very low84 Ų84149.7 Ų149.769%0.69479%0.786SS**  trans68.3120.8160.200000119.2T264 D268T264-A266 PolarHBondContact O-N 2.93Å; A266-D268 PolarHBondContact O-N 2.92Å
267R49.1Very low44Very low250 Ų250149.1 Ų149.194%0.94379%0.787SS**  trans-50.1117.2144.6-103.9174.4-173155.73.1107.7
268D36.8Very low42.9Very low150 Ų150154.3 Ų154.380%0.80280%0.796SS**  trans-103.5106.8165.6-151.12.9000107.9A266A266-D268 PolarHBondContact O-N 2.92Å
269T43.7Very low41.7Very low123 Ų123155 Ų15576%0.75580%0.795SS**  trans-71.1121.8166.842.50000107.4H271T269-H271 PolarHBondContact O-N 1.99Å
270G43.1Very low40.5Very low78 Ų78155.3 Ų155.380%0.80480%0.795SS**  trans-41.3128.9-166.800000116.9
271H37.8Very low39.5Very low171 Ų171156.5 Ų156.579%0.79280%0.801SS**  trans-146.5125.7143.4-150.663000108.3T269 D273T269-H271 PolarHBondContact O-N 1.99Å; H271-D273 PolarHBondContact O-N 3.17Å; H271-D273 VanDerWaalsContact O-N 3.08Å
272H50.2Low38.7Very low193 Ų193159.1 Ų159.189%0.89480%0.802SS**  trans-68.8103.6177-79.1-78.7000109.3
273D41.2Very low38.3Very low142 Ų142157.3 Ų157.376%0.75980%0.803SS**  trans-142.2128163-140.4-8.8000110.1H271 R275H271-D273 PolarHBondContact O-N 3.17Å; H271-D273 VanDerWaalsContact O-N 3.08Å; D273-R275 VanDerWaalsContact C-N 3.28Å; D273-R275 PolarHBondContact O-N 3.41Å
274N41.3Very low37.9Very low169 Ų169160.5 Ų160.590%0.90481%0.81SS**  trans-71.871.3-169.6-88.3-26.7000112.4
275R40.5Very low37.3Very low227 Ų227156.3 Ų156.386%0.85779%0.794SS**  trans-88.7114.8165.9-83.7-177.9179.11691.8110.6D273 V277D273-R275 VanDerWaalsContact C-N 3.28Å; D273-R275 PolarHBondContact O-N 3.41Å; R275-V277 PolarHBondContact O-N 3.23Å
276K32.8Very low37.2Very low211 Ų211149.7 Ų149.792%0.91779%0.791SS**  trans-54.7109.7168.3-70.2179.2178.9177.60109.6K278K276-K278 PolarHBondContact O-N 2.92Å
277V35.4Very low36.8Very low127 Ų127149 Ų14977%0.7779%0.791SS**  trans-75.5113.7167.7-179.40000107.7R275 V279R275-V277 PolarHBondContact O-N 3.23Å; V277-V279 HydrophobicContact CG1-CG2 4.14Å; V277-V279 PolarHBondContact O-N 3.37Å; V277-V279 VanDerWaalsContact O-N 3.15Å
278K30.1Very low35.9Very low184 Ų184140.4 Ų140.480%0.878%0.781SS**  trans-78.395.7173.7-171.4177.9-177177.20108.7K276 T280K276-K278 PolarHBondContact O-N 2.92Å; K278-T280 HydrophobicContact CD-CG2 4.49Å; K278-T280 HydrophobicContact CG-CG2 4.3Å; K278-T280 PolarHBondContact O-N 2.89Å
279V31.9Very low35.8Very low116 Ų116141 Ų14170%0.70378%0.783SS**  trans-81.6103168.5-176.70000107.8V277 V281V277-V279 HydrophobicContact CG1-CG2 4.14Å; V277-V279 PolarHBondContact O-N 3.37Å; V277-V279 VanDerWaalsContact O-N 3.15Å; V279-V281 HydrophobicContact CG1-CG2 4.29Å; V279-V281 PolarHBondContact O-N 3.25Å
280T29.6Very low35.6Very low106 Ų106139.6 Ų139.665%0.6578%0.779SS**  trans-86102.3167.342.60000108.9K278 K282K278-T280 HydrophobicContact CD-CG2 4.49Å; K278-T280 HydrophobicContact CG-CG2 4.3Å; K278-T280 PolarHBondContact O-N 2.89Å; T280-K282 PolarHBondContact O-N 3.45Å
281V31.3Very low35.3Very low128 Ų128143.1 Ų143.178%0.77678%0.779SS**  trans-73.2108.3161.5-177.20000106.4V279 E283V279-V281 HydrophobicContact CG1-CG2 4.29Å; V279-V281 PolarHBondContact O-N 3.25Å; V281-E283 PolarHBondContact O-N 3.21Å
282K30.1Very low35Very low173 Ų173142.3 Ų142.375%0.75278%0.78SS**  trans-78.5109.8170.1-126.8-178.8-177.2-178.50106.7T280 H284T280-K282 PolarHBondContact O-N 3.45Å; K282-H284 PolarHBondContact O-N 2.66Å
283E29.8Very low34.3Very low179 Ų179141 Ų14184%0.83677%0.774SS**  trans-62.3104169.1-134-178.7-169.600107.8V281 G285V281-E283 PolarHBondContact O-N 3.21Å; E283-G285 PolarHBondContact O-N 3.04Å
284H36.9Very low33.8Very low180 Ų180141.1 Ų141.183%0.83377%0.774SS**  trans-89.388.7164.8-95.2-81.2000107.3K282K282-H284 PolarHBondContact O-N 2.66Å
285G30.5Very low33.5Very low52 Ų52138.3 Ų138.354%0.53676%0.763SS.*SBendtrans142107.5163.300000115.8E283E283-G285 PolarHBondContact O-N 3.04Å
286A38.5Very low33.2Very low101 Ų101131.7 Ų131.784%0.83575%0.747SS**  trans66.1110.3138.300000118.8
287G31.8Very low33.4Very low68 Ų68125.9 Ų125.970%0.70173%0.729SS**  trans166.257.4161.500000113.1L289G287-L289 PolarHBondContact O-N 3.05Å
288G31.1Very low33.5Very low71 Ų71125 Ų12573%0.73272%0.72SS**  trans-60.4121.2161.800000108.1S290G288-S290 PolarHBondContact O-N 3.09Å
289L34.9Very low34Very low161 Ų161120.3 Ų120.384%0.84371%0.706SS**  trans-63.591165.3-86.385.5000108G287G287-L289 PolarHBondContact O-N 3.05Å
290S39.6Very low34.5Very low94 Ų94120.7 Ų120.766%0.65770%0.704SS**  trans-138.779.4163.956.80000106.6G288G288-S290 PolarHBondContact O-N 3.09Å
291D37.3Very low35.3Very low153 Ų153120 Ų12082%0.81870%0.699SS**  trans17167.1147-83.8-21000109.1
292L31.3Very low36.1Very low153 Ų153122 Ų12280%0.80170%0.704SS**  trans-9596.5146.7-101118000105.8L294L292-L294 PolarHBondContact O-N 2.7Å
293Q34Very low36.9Very low166 Ų166118.6 Ų118.678%0.77670%0.698SS**  trans-72.2111.4163-76.3-162.1-19.100108.2V295Q293-V295 PolarHBondContact O-N 3.02Å
294L32.3Very low37.9Very low144 Ų144115.1 Ų115.175%0.75469%0.693SS**  trans-70.1102168.5-171.582.4000108.1L292 V296L292-L294 PolarHBondContact O-N 2.7Å; L294-V296 HydrophobicContact CD2-CG2 3.78Å; L294-V296 HydrophobicContact CG-CG2 3.97Å
295V33.8Very low38.7Very low110 Ų110113.5 Ų113.567%0.66770%0.696SS**  trans-92.3102.2169.3-178.40000108.2Q293 V297Q293-V295 PolarHBondContact O-N 3.02Å; V295-V297 HydrophobicContact CG1-CG2 4.05Å
296V34.4Very low39.7Very low88 Ų88114.7 Ų114.753%0.53371%0.707SS.*  trans-84.5107.8171.4-179.30000107.8L294L294-V296 HydrophobicContact CD2-CG2 3.78Å; L294-V296 HydrophobicContact CG-CG2 3.97Å
297V36.3Very low40.2Very low89 Ų89115.4 Ų115.454%0.53970%0.701SS.*  trans-89.5109.3171.3-175.70000108.5V295 V299V295-V297 HydrophobicContact CG1-CG2 4.05Å; V297-V299 HydrophobicContact CG1-CG2 4.04Å; V297-V299 PolarHBondContact O-N 2Å
298L37.3Very low40.6Very low109 Ų109117.2 Ų117.257%0.57170%0.698SS**BIsolated β-bridgetrans-82.8106.5171.5-88.4147.2000109.2L310L298-L310 HydrophobicContact CD2-CD2 3.37Å; L298-L310 HydrophobicContact CD2-CG 3.75Å
299V41.6Very low41.2Very low85 Ų85116.9 Ų116.952%0.51569%0.689SS.*  trans-95.6107172-174.10000108.4V297 T301V297-V299 HydrophobicContact CG1-CG2 4.04Å; V297-V299 PolarHBondContact O-N 2Å; V299-T301 HydrophobicContact CG1-CG2 4.14Å
300L42.3Very low41.4Very low124 Ų124115.6 Ų115.665%0.64968%0.682SS**  trans-82.9113.8169.5-73.1164.9000108.4V308L300-V308 HydrophobicContact CD2-CG1 3.44Å; L300-V308 VanDerWaalsContact CD2-CG1 3.44Å
301T46.1Very low41.5Very low92 Ų92116.1 Ų116.156%0.56468%0.681SS**  trans-103.5126.2168.451.50000109.1V299 V303V299-T301 HydrophobicContact CG1-CG2 4.14Å; T301-V303 PolarHBondContact O-N 2.72Å
302I48.3Very low41.6Very low170 Ų170113.1 Ų113.187%0.87268%0.678SS**  trans-79.499.4173.5-59.6173.3000106.7
303V47.3Very low42.1Very low102 Ų102109.4 Ų109.462%0.61867%0.669SS**  trans-82.2124.8161.3-173.60000106.3T301 V305T301-V303 PolarHBondContact O-N 2.72Å; V303-V305 PolarHBondContact O-N 3.17Å; V303-V305 VanDerWaalsContact O-N 3.17Å
304S51.3Low42.1Very low105 Ų105109 Ų10973%0.73467%0.671SS**SBendtrans-45.1122.1179.92.10000110.5
305V53.1Low42.4Very low147 Ų147107.7 Ų107.789%0.89167%0.669SS**SBendtrans73.974.8174.8-150.70000115.4V303V303-V305 PolarHBondContact O-N 3.17Å; V303-V305 VanDerWaalsContact O-N 3.17Å
306G52Low42.4Very low76 Ų76109.7 Ų109.778%0.78468%0.675SS**SBendtrans96.814.1132.600000120.5
307V48Very low42.2Very low117 Ų117114.1 Ų114.171%0.70969%0.69SS**  trans-137.4125.6171-1750000111
308V40.8Very low42Very low105 Ų105114.4 Ų114.464%0.63670%0.702SS**  trans-91.2114.4173.2179.70000108.6L300L300-V308 HydrophobicContact CD2-CG1 3.44Å; L300-V308 VanDerWaalsContact CD2-CG1 3.44Å
309A43.4Very low41.7Very low65 Ų65115.2 Ų115.254%0.53771%0.714SS.*  trans-99.3123.8170.600000110
310L39Very low41.2Very low133 Ų133114.9 Ų114.970%0.69673%0.727SS**  trans-83.6116.5168.5-93.692.4000109.5L298L298-L310 HydrophobicContact CD2-CD2 3.37Å; L298-L310 HydrophobicContact CD2-CG 3.75Å
311T42.3Very low40.6Very low105 Ų105116.9 Ų116.964%0.64473%0.733SS**  trans-115.7118.116347.90000109.4
312A38.7Very low39.9Very low90 Ų90124.5 Ų124.574%0.74475%0.751SS**BIsolated β-bridgetrans-88.4123.6171.400000109.5
313A41.8Very low39.1Very low75 Ų75126.5 Ų126.562%0.6275%0.748SS**  trans-109.4130172.100000109.8
314L34.9Very low38.2Very low157 Ų157125 Ų12582%0.82275%0.753SS**  trans-85.1117.3172.1-117.5112000108.7
315V37.8Very low37.3Very low117 Ų117128.4 Ų128.471%0.70976%0.757SS**  trans-111.3111.8171.1-178.90000108.4
316L33.3Very low36.2Very low152 Ų152127.8 Ų127.880%0.79675%0.754SS**PPolyproline II helixtrans-86.8118168.6-71.9165.8000108.3
317H30.6Very low35.3Very low182 Ų182129.8 Ų129.884%0.84375%0.753SS**PPolyproline II helixtrans-103.4123.4168.2-103.14.6000110.2
318A32.8Very low34.3Very low95 Ų95130 Ų13079%0.78576%0.758SS**PPolyproline II helixtrans-99.1125.3166.700000108.8G320A318-G320 PolarHBondContact O-N 2.99Å
319P31.1Very low33.6Very low126 Ų126136.4 Ų136.482%0.81877%0.771SS**PPolyproline II helixtrans-74.6119.8173.327.3-29.8000110.5
320G30.8Very low33Very low77 Ų77141.3 Ų141.379%0.79479%0.788SS**PPolyproline II helixtrans-69.4124.4170.800000111.8A318A318-G320 PolarHBondContact O-N 2.99Å
321Q30.1Very low32.4Very low167 Ų167140.1 Ų140.178%0.7879%0.79SS**PPolyproline II helixtrans-72.9120.7167.4-86.8-178-15.700110.4R323Q321-R323 PolarHBondContact O-N 3.11Å
322R29.4Very low32.1Very low251 Ų251141 Ų14195%0.94780%0.797SS**  trans-68.5114.9156.5-73.7-171.6-171.5-157.13.2108.3
323R32.1Very low31.8Very low212 Ų212142 Ų14280%0.880%0.8SS**  trans-93.4117.3161.9-77.3-174.9179.4-178.4-0.6108.8Q321Q321-R323 PolarHBondContact O-N 3.11Å
324G28Very low31.5Very low70 Ų70144.3 Ų144.372%0.72281%0.808SS**  trans-87.5122.8156.300000108.8
325H32.1Very low31.2Very low177 Ų177148.7 Ų148.782%0.81981%0.814SS**  trans-140.6130.7158.2-86.7-69.5000109.1
326T31.3Very low30.6Very low134 Ų134148.3 Ų148.382%0.82282%0.816SS**  trans-68.6161.2172.328.80000112.4
327P32.9Very low30.4Very low118 Ų118151.5 Ų151.577%0.76682%0.818SS**  trans-96.5143.4-167.336.4-30.5000113
328C26.2Very low30.2Very low122 Ų122153.7 Ų153.782%0.82482%0.819SS**  trans-144.1111.7158-81.90000109.7
329W27.4Very low29.8Very low240 Ų240157.9 Ų157.991%0.90982%0.822SS**  trans-150.5127.1150.1-88.594.9000108.2
330L29.6Very low30.2Very low168 Ų168157.6 Ų157.688%0.8882%0.82SS**  trans-179.4118.1130.2-97163.5000109.9
331S27.8Very low30Very low107 Ų107157.6 Ų157.675%0.74882%0.82SS**  trans-174.9154.4133.9-78.80000110.4
332P35.8Very low29.8Very low123 Ų123157.9 Ų157.980%0.79983%0.827SS**  trans-111.4165.8-144.728.8-11.1000116.1
333S31.6Very low29.8Very low113 Ų113154.4 Ų154.479%0.7982%0.822SS**  trans-55.6169.3178.9-43.30000115.7
334P36.2Very low29.9Very low123 Ų123149 Ų14980%0.79981%0.814SS**  -151.9156.185.235.7-14.7000118.8
335R28.5Very low30Very low248 Ų248153.6 Ų153.694%0.93682%0.816SS**  trans13.9140149.8-71.8178178.1-176.6-0.2122.8
336S25.9Very low29.7Very low110 Ų110153.7 Ų153.777%0.76982%0.817SS**  147.2105.5115.81770000112.8
337R27.3Very low29.5Very low218 Ų218157 Ų15782%0.82381%0.814SS**  73.2107.696.2-126.3-172.2-146.1-161.84.4117.4
338R26.4Very low29.1Very low229 Ų229158.6 Ų158.686%0.86482%0.815SS**  150.7139.5123.3-83.8-175.8-178.2172.82.1113.3
339E26.1Very low29.2Very low182 Ų182156.4 Ų156.485%0.8580%0.801SS**  trans-73.2-165.3-177.5-47.9-170130.100114.7
340P39.8Very low29.1Very low121 Ų121153.7 Ų153.779%0.78680%0.796SS**  cis-133.2172-19.520.44.2000114.2
341G26.3Very low29Very low76 Ų76153 Ų15378%0.78479%0.792SS**  trans157.693.4159.600000118
342D26.1Very low29.5Very low174 Ų174156 Ų15693%0.9380%0.8SS**  trans79.4127.1150.9-111.8-11.9000123.5
343Q27.8Very low29.2Very low178 Ų178154.4 Ų154.483%0.83280%0.797SS**  trans-95.1-176.1-173.2-78.2-172.7-21.500112.6
344P35.8Very low29.2Very low98 Ų98153.3 Ų153.364%0.63680%0.795SS**  cis-126151.1-10.123.6-1.4000115.1
345E28.3Very low29.1Very low166 Ų166155.9 Ų155.978%0.77680%0.796SS**  trans-79.2137156.1-66.5-177.5156.400110.2
346H27.6Very low29.3Very low180 Ų180150.4 Ų150.483%0.83379%0.793SS**  trans-101.193.4155.8-77.6-70.3000109.3
347R25.2Very low29.6Very low202 Ų202153.7 Ų153.776%0.76280%0.796SS**  trans-87.9114167.3-164.9176.2175.8179-0.1107.6
348I24.9Very low29.7Very low152 Ų152153.1 Ų153.178%0.77980%0.799SS**  trans-105.8114.1163.2-59.6178000106.8
349S28.2Very low29.9Very low77 Ų77151.7 Ų151.754%0.53880%0.799SS.*  trans-130.3118.3166.4-51.70000106.3
350F25.2Very low30Very low182 Ų182152.3 Ų152.380%0.79880%0.799SS**  trans-140.2113.3157.3-75.8-72.1000110.1
351L28.1Very low29.5Very low154 Ų154153.6 Ų153.681%0.80680%0.799SS**  trans58.8119.3132.5-66.1161.8000119.7A353L351-A353 PolarHBondContact O-N 2.97Å
352N39.1Very low29.5Very low171 Ų171157.2 Ų157.291%0.91480%0.8SS**  trans-45.3121.8152.3-70-28.5000111.3
353A28.5Very low29.9Very low89 Ų89155.5 Ų155.574%0.73679%0.789SS**  trans-126.9111.6153.400000104.7L351L351-A353 PolarHBondContact O-N 2.97Å
354A32.6Very low29.8Very low89 Ų89156 Ų15674%0.73679%0.792SS**  56.5115.289.200000112.6
355E32.8Very low29.6Very low178 Ų178157.7 Ų157.783%0.83280%0.8SS**  trans73122.4166.5-61.8178.1154.800119.3E357E355-E357 PolarHBondContact O-N 3.05Å
356P34Very low30Very low133 Ų133159.5 Ų159.586%0.86482%0.822SS**  trans-86.4103.216031.9-25.5000109.7
357E31.7Very low30.1Very low178 Ų178158.5 Ų158.583%0.83282%0.822SS**  trans-58.2141.4165.1-73.9-160.9144.700111.8E355 K359E355-E357 PolarHBondContact O-N 3.05Å; E357-K359 PolarHBondContact O-N 3.43Å
358K30.1Very low30.4Very low207 Ų207156.2 Ų156.290%0.983%0.825SS**  trans-52.7110.9174.7-66.1168.5178.9171.90111.2
359K30.9Very low30.7Very low198 Ų198156.4 Ų156.486%0.86183%0.827SS**  trans-91106.2159.9-74.4-177.3179.3177.60109.1E357 L361E357-K359 PolarHBondContact O-N 3.43Å; K359-L361 PolarHBondContact O-N 3.36Å
360K27.5Very low30.8Very low195 Ų195161.1 Ų161.185%0.84884%0.844SS**PPolyproline II helixtrans-61.9120165.3-76.2177.8174.9178.90108.3
361L28Very low31.2Very low148 Ų148159.8 Ų159.878%0.77585%0.847SS**PPolyproline II helixtrans-86.4116.2160.4-111.986.9000107.3K359K359-L361 PolarHBondContact O-N 3.36Å
362N27.3Very low31.4Very low153 Ų153160.2 Ų160.282%0.81885%0.85SS**PPolyproline II helixtrans-78.1122.9161.5-75.9-7.7000107.3
363I34Very low30.9Very low137 Ų137159.4 Ų159.470%0.70385%0.845SS**  trans-108.1109.2169.2-58.9175.1000105.5
364E27.1Very low31Very low189 Ų189164.8 Ų164.888%0.88385%0.854SS**  trans-74.5126.3160.8-87-179156.300108
365V30.1Very low30.9Very low133 Ų133171.2 Ų171.281%0.80686%0.864SS**  trans-89.9124.3170.4-178.70000106.7
366V37.7Very low30.8Very low205 Ų205170.5 Ų170.5100%1.24287%0.866SS**  trans-98.10159.5-1790000108

Retrieved 366 of 366 residues in 353.8 ms (Link to these results)