A0A3Q0KGY9_SCHMA Loading...

Chymotrypsin

AlphaFold DB , UniProt , Accession A0A3Q0KGY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 385 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
1M29.9Very low29.6Very low243 Ų243133.8 Ų133.8100%1.19769%0.686SS**  034.70-144.4170.6177.500112.6
2I28.4Very low29.4Very low150 Ų150133.8 Ų133.877%0.76969%0.688SS**  trans-141.353.7179.7-48.6175.6000109.7
3I27.2Very low29.6Very low150 Ų150132.7 Ų132.777%0.76967%0.672SS**SBendtrans-111-9.4175.1-67.3177.9000112.3
4N28.3Very low30Very low132 Ų132127.8 Ų127.871%0.70666%0.656SS**SBendtrans-103.410-172.1-82.8-10.6000117.4
5L31.4Very low30.2Very low147 Ų147124.7 Ų124.777%0.7765%0.65SS**SBendtrans-90.8-4.9-178.9-92.9157.1000115.5
6L31.5Very low30.3Very low78 Ų78120 Ų12041%0.40863%0.625SS.*SBendtrans-122.1-13.9-178.1-71.8172.4000116.3N8 V9 R101L6-N8 PolarHBondContact O-N 3.35Å; L6-V9 HydrophobicContact CD2-CG2 4.39Å; L6-V9 PolarHBondContact O-N 2.6Å; L6-R101 HydrophobicContact CD1-CB 3.82Å; L6-R101 HydrophobicContact CD1-CG 3.54Å
7Y28Very low30.3Very low204 Ų204114.9 Ų114.980%0.860%0.598SS**THydrogen-bonded Turntrans-69.9-11.2163.7-96.1-83000112.5
8N27.2Very low30.3Very low121 Ų121112.7 Ų112.765%0.64758%0.584SS**THydrogen-bonded Turntrans-95.617.6171.3-84.7-20.9000114.3L6 N10L6-N8 PolarHBondContact O-N 3.35Å; N8-N10 PolarHBondContact O-N 2.66Å; N8-N10 PolarHBondContact OD1-ND2 2.97Å
9V32.7Very low30.5Very low77 Ų77107.6 Ų107.647%0.46756%0.559SS.*  trans-72.356.5138.6-162.60000107.1L6 C11L6-V9 HydrophobicContact CD2-CG2 4.39Å; L6-V9 PolarHBondContact O-N 2.6Å; V9-C11 PolarHBondContact O-N 2.87Å
10N27.6Very low30.7Very low95 Ų95103.6 Ų103.651%0.50854%0.54SS..  trans-59.586.1149.6-90.9-31.1000102.7N8 N12N8-N10 PolarHBondContact O-N 2.66Å; N8-N10 PolarHBondContact OD1-ND2 2.97Å; N10-N12 HydrophobicContact CB-CB 4.28Å; N10-N12 PolarHBondContact O-N 3.49Å
11C33.3Very low31.3Very low75 Ų7598.8 Ų98.851%0.50751%0.514SS..  trans-5867.3142.8-68.90000105.9V9 Y13V9-C11 PolarHBondContact O-N 2.87Å; C11-Y13 HydrophobicContact CB-CD2 3.73Å; C11-Y13 HydrophobicContact CB-CE2 3.92Å; C11-Y13 PolarHBondContact O-N 3.09Å
12N27.1Very low32.2Very low133 Ų13388.6 Ų88.671%0.71146%0.463SS*.  trans-67.660.4162.2-98.4-14.8000104.9N10 S14N10-N12 HydrophobicContact CB-CB 4.28Å; N10-N12 PolarHBondContact O-N 3.49Å; N12-S14 PolarHBondContact O-N 3.3Å
13Y32.3Very low33.3Very low120 Ų12081.6 Ų81.647%0.47143%0.428SS..  trans-56.2100.1154.4-82.5-70.5000104C11 S15 I17C11-Y13 HydrophobicContact CB-CD2 3.73Å; C11-Y13 HydrophobicContact CB-CE2 3.92Å; C11-Y13 PolarHBondContact O-N 3.09Å; Y13-S15 PolarHBondContact O-N 3.23Å; Y13-I17 HydrophobicContact CD1-CD1 3.79Å; Y13-I17 HydrophobicContact CG-CD1 3.86Å
14S35.3Very low35.3Very low64 Ų6475.5 Ų75.545%0.44840%0.402SS..  trans-39.1110.1170.2154.70000107.2N12 I16 K272N12-S14 PolarHBondContact O-N 3.3Å; S14-I16 PolarHBondContact O-N 2.85Å; S14-K272 PolarHBondContact OG-NZ 2.93Å
15S32.2Very low37.6Very low81 Ų8170 Ų7057%0.56637%0.372SS*.SBendtrans-23.632.8179.245.60000121.5Y13 Y236 R237Y13-S15 PolarHBondContact O-N 3.23Å; S15-Y236 PolarHBondContact O-OH 3.18Å; S15-R237 PolarHBondContact O-NH2 2.87Å
16I31.8Very low39.9Very low50 Ų5066 Ų6626%0.25635%0.347SS..  trans-150.974-169.2-47.4178.5000111.3S14 Y236 V268 I351 Q352S14-I16 PolarHBondContact O-N 2.85Å; I16-Y236 PolarHBondContact N-OH 3.16Å; I16-V268 HydrophobicContact CD1-CG1 4.19Å; I16-I351 HydrophobicContact CG2-CG2 4.23Å; I16-Q352 HydrophobicContact CG2-CG 3.5Å; I16-Q352 VanDerWaalsContact CG2-CG 3.5Å; I16-Q352 PolarHBondContact O-N 2.95Å; I16-Q352 VanDerWaalsContact O-N 3.12Å
17I31Very low42.4Very low33 Ų3362.4 Ų62.417%0.16933%0.328CS..  trans-129.2155.6175.3-20.8167.5000108.1Y13 Y236 Q319 Q352Y13-I17 HydrophobicContact CD1-CD1 3.79Å; Y13-I17 HydrophobicContact CG-CD1 3.86Å; I17-Y236 HydrophobicContact CB-CD2 3.35Å; I17-Y236 HydrophobicContact CB-CE2 3.09Å; I17-Y236 HydrophobicContact CB-CG 4.41Å; I17-Y236 HydrophobicContact CD1-CE2 4.09Å; I17-Y236 HydrophobicContact CG1-CD2 4.24Å; I17-Y236 HydrophobicContact CG1-CE2 3.56Å; I17-Y236 HydrophobicContact CG2-CD2 4.44Å; I17-Y236 HydrophobicContact CG2-CE2 4.49Å; I17-Y236 VanDerWaalsContact N-CE2 3.28Å; I17-Y236 PolarHBondContact N-OH 3.13Å; I17-Y236 WeakPolarHBondContact O-CD1 3.41Å; I17-Y236 WeakPolarHBondContact O-CD2 3.24Å; I17-Y236 WeakPolarHBondContact O-CE1 3.23Å; I17-Y236 WeakPolarHBondContact O-CE2 3.42Å; I17-Y236 PolarHBondContact O-OH 2.84Å; I17-Q319 HydrophobicContact CD1-CG 4.21Å; I17-Q352 VanDerWaalsContact C-CA 3.43Å; I17-Q352 VanDerWaalsContact CA-CA 3.4Å; I17-Q352 WeakPolarHBondContact CG2-O 3.48Å
18Q30.6Very low45.2Very low75 Ų7553.9 Ų53.935%0.3530%0.296SS..  trans142.7118.8174.6-87.3-64.7-11.100111.7Y236 Q352 C353Q18-Y236 HydrophobicContact CB-CD1 3.89Å; Q18-Y236 HydrophobicContact CB-CG 3.86Å; Q18-Y236 VanDerWaalsContact CG-CB 3.42Å; Q18-Y236 HydrophobicContact CG-CD1 3.05Å; Q18-Y236 HydrophobicContact CG-CE1 3.78Å; Q18-Y236 HydrophobicContact CG-CG 3.47Å; Q18-Y236 VanDerWaalsContact CG-CG 3.47Å; Q18-Y236 VanDerWaalsContact NE2-C 3.32Å; Q18-Y236 VanDerWaalsContact NE2-CD1 3.29Å; Q18-Y236 PolarHBondContact NE2-O 3.21Å; Q18-Y236 VanDerWaalsContact OE1-CB 3.26Å; Q18-Q352 VanDerWaalsContact N-CA 3.34Å; Q18-Q352 CarbonylContact O-C 3.47Å; Q18-Q352 VanDerWaalsContact O-CB 3.28Å; Q18-Q352 WeakPolarHBondContact O-CB 3.38Å; Q18-C353 CarbonylContact C-O 3.5Å; Q18-C353 WeakPolarHBondContact CA-SG 3.15Å; Q18-C353 VanDerWaalsContact N-N 3.15Å; Q18-C353 PolarHBondContact N-SG 3.29Å; Q18-C353 CarbonylContact O-C 3.3Å; Q18-C353 VanDerWaalsContact O-C 3.26Å; Q18-C353 WeakPolarHBondContact O-CA 3.48Å; Q18-C353 PolarHBondContact O-N 3.34Å
19P33Very low48Very low17 Ų1749 Ų4911%0.1127%0.271CS..  cis-140.7-174.737.550.9-37.9000114.2Y22 C318 C353P19-Y22 HydrophobicContact CG-CD2 4.29Å; P19-Y22 HydrophobicContact CG-CG 4.1Å; P19-C318 VanDerWaalsContact CA-SG 3.56Å; P19-C318 WeakPolarHBondContact O-CB 3.32Å; P19-C318 PolarHBondContact O-SG 3.15Å; P19-C353 WeakPolarHBondContact CD-O 3.27Å; P19-C353 HydrophobicContact CG-CB 4.49Å; P19-C353 VanDerWaalsContact N-SG 3.38Å; P19-C353 WeakPolarHBondContact O-CB 3.39Å; P19-C353 PolarHBondContact O-SG 3.48Å; P19-C353 VanDerWaalsContact O-SG 3.36Å
20V34.4Very low50.4Low27 Ų2747.1 Ų47.116%0.16426%0.258CS..  trans-3.3159.7155.5-152.30000116.6Y22 L234 D316V20-Y22 HydrophobicContact CG2-CD2 4.33Å; V20-Y22 PolarHBondContact O-N 3.46Å; V20-L234 WeakPolarHBondContact CB-O 3.23Å; V20-L234 HydrophobicContact CG1-CB 4.06Å; V20-L234 HydrophobicContact CG1-CD2 3.92Å; V20-L234 WeakPolarHBondContact CG1-O 3.11Å; V20-L234 WeakPolarHBondContact CG2-O 3.28Å; V20-D316 CarbonylContact C-O 3.45Å; V20-D316 VanDerWaalsContact O-O 3.06Å
21I43.8Very low53Low2 Ų252.2 Ų52.21%0.0128%0.279CS..SBend-51.277.8129.5-84.7-168.3000110.3G23 G24 V228 H249 A251 D316I21-G23 PolarHBondContact O-N 3.05Å; I21-G24 VanDerWaalsContact CG2-N 3.33Å; I21-G24 PolarHBondContact O-N 3.44Å; I21-V228 HydrophobicContact CD1-CG1 4.22Å; I21-H249 WeakPolarHBondContact CD1-CE1 3.46Å; I21-H249 WeakPolarHBondContact CD1-ND1 3.5Å; I21-H249 VanDerWaalsContact CG1-CE1 3.48Å; I21-H249 WeakPolarHBondContact CG1-CE1 3.14Å; I21-H249 WeakPolarHBondContact CG1-ND1 3.36Å; I21-A251 HydrophobicContact CB-CB 4.12Å; I21-A251 HydrophobicContact CD1-CB 3.77Å; I21-A251 HydrophobicContact CG1-CB 3.82Å; I21-A251 HydrophobicContact CG2-CB 3.37Å; I21-D316 WeakPolarHBondContact CA-O 3.09Å; I21-D316 WeakPolarHBondContact CG1-O 3.3Å; I21-D316 PolarHBondContact N-O 2.85Å
22Y48.4Very low55.4Low29 Ų2955.1 Ų55.111%0.11429%0.289CS..THydrogen-bonded Turntrans-79.8101.3-168.5173.5-85.5000106.1P19 V20 K65 R68 Q72 G315P19-Y22 HydrophobicContact CG-CD2 4.29Å; P19-Y22 HydrophobicContact CG-CG 4.1Å; V20-Y22 HydrophobicContact CG2-CD2 4.33Å; V20-Y22 PolarHBondContact O-N 3.46Å; Y22-K65 PolarHBondContact OH-O 2.98Å; Y22-R68 VanDerWaalsContact CD1-CZ 3.46Å; Y22-R68 HydrophobicContact CE1-CB 4.3Å; Y22-R68 HydrophobicContact CE1-CG 3.62Å; Y22-R68 VanDerWaalsContact OH-CB 3.28Å; Y22-R68 WeakPolarHBondContact OH-CB 3.19Å; Y22-Q72 VanDerWaalsContact CE1-NE2 3.28Å; Y22-Q72 VanDerWaalsContact CE1-OE1 3.26Å; Y22-Q72 PolarHBondContact O-NE2 2.02Å; Y22-G315 WeakPolarHBondContact O-CA 3.25Å
23G52.8Low58Low4 Ų451.6 Ų51.64%0.04129%0.285CS..THydrogen-bonded Turntrans96-4.1-17100000114.9I21 F76I21-G23 PolarHBondContact O-N 3.05Å; G23-F76 WeakPolarHBondContact O-CD2 3.45Å; G23-F76 WeakPolarHBondContact O-CE2 3.5Å; G23-F76 WeakPolarHBondContact O-CZ 2.93Å
24G67.9Low60.5Low22 Ų2251.9 Ų51.923%0.22729%0.288CS..  trans-92172.2169.300000113I21 V250I21-G24 VanDerWaalsContact CG2-N 3.33Å; I21-G24 PolarHBondContact O-N 3.44Å; G24-V250 CarbonylContact C-O 3.59Å; G24-V250 WeakPolarHBondContact CA-O 3.35Å
25Q76.3Confident62.9Low15 Ų1550.7 Ų50.77%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-120.2132.3-158.2-63.9-174.4-11.700109.9F37 F76 H249 V250Q25-F37 HydrophobicContact CB-CB 3.95Å; Q25-F37 HydrophobicContact CB-CD1 3.38Å; Q25-F37 HydrophobicContact CB-CE1 4.18Å; Q25-F37 HydrophobicContact CB-CG 3.91Å; Q25-F37 HydrophobicContact CG-CB 4.49Å; Q25-F37 HydrophobicContact CG-CD1 4.4Å; Q25-F76 HydrophobicContact CG-CD1 3.86Å; Q25-F76 HydrophobicContact CG-CE1 4.12Å; Q25-F76 HydrophobicContact CG-CG 4.32Å; Q25-H249 WeakPolarHBondContact O-CA 3.4Å; Q25-V250 PolarHBondContact N-O 3.34Å; Q25-V250 PolarHBondContact O-N 3.43Å; Q25-V250 VanDerWaalsContact O-N 3.09Å
26R81.1Confident65.3Low65 Ų6549.9 Ų49.925%0.24527%0.267CS..EExtended strand (participates in β ladder)trans-70.4136.3172.1-64.7-175.6-167.9166.52.6108.8F37 M38 L234 H249R26-F37 WeakPolarHBondContact O-CA 3.46Å; R26-M38 HydrophobicContact CB-CB 3.97Å; R26-M38 HydrophobicContact CB-SD 4.48Å; R26-M38 PolarHBondContact O-N 3.5Å; R26-L234 HydrophobicContact CG-CD1 4.49Å; R26-H249 HydrophobicContact CG-CB 4.45Å
27L84.6Confident67.7Low1 Ų149.5 Ų49.51%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-82.3134.3173.8-72168.2000110.3V35 D36 F37 I86 F156 F248 V250L27-V35 HydrophobicContact CD2-CG1 4.02Å; L27-D36 WeakPolarHBondContact CA-O 3.16Å; L27-F37 HydrophobicContact CD2-CD1 3.65Å; L27-F37 HydrophobicContact CD2-CE1 3.31Å; L27-F37 HydrophobicContact CD2-CZ 3.98Å; L27-F37 HydrophobicContact CG-CD1 4.45Å; L27-F37 HydrophobicContact CG-CE1 4.2Å; L27-I86 HydrophobicContact CD1-CD1 4.3Å; L27-I86 HydrophobicContact CD1-CG2 3.81Å; L27-I86 HydrophobicContact CD2-CD1 4.14Å; L27-I86 HydrophobicContact CD2-CG2 3.95Å; L27-F156 HydrophobicContact CB-CD2 3.97Å; L27-F156 HydrophobicContact CB-CE2 4.28Å; L27-F248 HydrophobicContact CD1-CD1 3.46Å; L27-F248 VanDerWaalsContact CD1-CD1 3.46Å; L27-F248 HydrophobicContact CD1-CE1 3.64Å; L27-F248 PolarHBondContact N-O 3.37Å; L27-V250 HydrophobicContact CD1-CG1 4.08Å
28I85.7Confident69.8Low26 Ų2650.4 Ų50.413%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-131.2166.4177.260.8168000111V35 D36 M38 I154 H155I28-V35 CarbonylContact O-C 3.46Å; I28-V35 WeakPolarHBondContact O-CA 3.23Å; I28-D36 HydrophobicContact CG1-CB 4.3Å; I28-D36 WeakPolarHBondContact CG1-O 3.3Å; I28-D36 PolarHBondContact N-O 2.95Å; I28-D36 PolarHBondContact O-N 3.26Å; I28-M38 HydrophobicContact CG2-CB 3.94Å; I28-M38 HydrophobicContact CG2-CG 4.38Å; I28-I154 CarbonylContact C-O 3.59Å; I28-I154 WeakPolarHBondContact CA-O 3.34Å; I28-I154 WeakPolarHBondContact CB-O 3.5Å; I28-H155 VanDerWaalsContact CG2-CE1 3.47Å; I28-H155 WeakPolarHBondContact CG2-CE1 3.5Å; I28-H155 WeakPolarHBondContact CG2-ND1 3.38Å
29V85.7Confident71.4Confident18 Ų1855 Ų5511%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-98.8120.9160-175.20000107.6G33 K34 Q146 I154 F156V29-G33 VanDerWaalsContact CG1-C 3.42Å; V29-K34 CarbonylContact C-O 3.51Å; V29-K34 WeakPolarHBondContact CA-O 3.36Å; V29-Q146 HydrophobicContact CG2-CG 4.41Å; V29-I154 HydrophobicContact CB-CB 3.88Å; V29-I154 HydrophobicContact CB-CD1 4.25Å; V29-I154 HydrophobicContact CB-CG2 3.9Å; V29-I154 HydrophobicContact CG2-CB 4.21Å; V29-I154 HydrophobicContact CG2-CG2 3.66Å; V29-I154 PolarHBondContact N-O 2.89Å; V29-F156 HydrophobicContact CG2-CE2 4.31Å; V29-F156 HydrophobicContact CG2-CZ 4.09Å
30N83.1Confident72.5Confident38 Ų3855.9 Ų55.920%0.20329%0.293CS..  trans-77.1176.617969.822.7000111.8N32 G33 K34 D36N30-N32 PolarHBondContact O-N 2.89Å; N30-N32 WeakPolarHBondContact OD1-CA 3.39Å; N30-N32 WeakPolarHBondContact OD1-CB 3.37Å; N30-N32 PolarHBondContact OD1-N 2.83Å; N30-G33 PolarHBondContact O-N 3.42Å; N30-K34 PolarHBondContact N-O 3.28Å; N30-K34 PolarHBondContact OD1-N 3.08Å; N30-K34 VanDerWaalsContact OD1-N 3.16Å; N30-K34 PolarHBondContact OD1-O 3.47Å; N30-D36 HydrophobicContact CB-CB 3.87Å; N30-D36 PolarHBondContact ND2-OD2 3.2Å
31Q81.6Confident73.2Confident201 Ų20161.6 Ų61.694%0.93932%0.318SS*.THydrogen-bonded Turntrans-59.6-20.5-177.8-63.5177.6-8.900113.9G33Q31-G33 VanDerWaalsContact C-N 3.29Å
32N84.5Confident73Confident136 Ų13668.7 Ų68.773%0.72735%0.354SS*.THydrogen-bonded Turntrans-88.75.7177.7-59.3-29.2000112.6N30 K34N30-N32 PolarHBondContact O-N 2.89Å; N30-N32 WeakPolarHBondContact OD1-CA 3.39Å; N30-N32 WeakPolarHBondContact OD1-CB 3.37Å; N30-N32 PolarHBondContact OD1-N 2.83Å; N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.36Å
33G82.1Confident72.3Confident60 Ų6074.9 Ų74.962%0.61938%0.382SS*.SBendtrans74.712.2-176.700000114.1V29 N30 Q31V29-G33 VanDerWaalsContact CG1-C 3.42Å; N30-G33 PolarHBondContact O-N 3.42Å; Q31-G33 VanDerWaalsContact C-N 3.29Å
34K85.3Confident71.1Confident125 Ų12579.1 Ų79.154%0.54341%0.411SS..  trans-99.2147.2-179.9-64.7-166.8174.9-166.60111.5V29 N30 N32 D36V29-K34 CarbonylContact C-O 3.51Å; V29-K34 WeakPolarHBondContact CA-O 3.36Å; N30-K34 PolarHBondContact N-O 3.28Å; N30-K34 PolarHBondContact OD1-N 3.08Å; N30-K34 VanDerWaalsContact OD1-N 3.16Å; N30-K34 PolarHBondContact OD1-O 3.47Å; N32-K34 VanDerWaalsContact C-N 3.26Å; N32-K34 PolarHBondContact O-N 3.36Å; K34-D36 PolarHBondContact O-N 3.38Å
35V84.3Confident69.4Low39 Ų3983.7 Ų83.724%0.23643%0.429CS..EExtended strand (participates in β ladder)trans-67129.8172.1-174.90000109L27 I28 I86 L90 F156L27-V35 HydrophobicContact CD2-CG1 4.02Å; I28-V35 CarbonylContact O-C 3.46Å; I28-V35 WeakPolarHBondContact O-CA 3.23Å; V35-I86 HydrophobicContact CG1-CG2 3.64Å; V35-L90 HydrophobicContact CG1-CD1 4.44Å; V35-L90 HydrophobicContact CG2-CD1 4.41Å; V35-F156 HydrophobicContact CG1-CE2 4.22Å; V35-F156 HydrophobicContact CG2-CZ 4.09Å
36D83.9Confident67.3Low64 Ų6489.3 Ų89.334%0.34246%0.459SS..EExtended strand (participates in β ladder)trans-148.9177.8-173.5-156.1-11.5000109.9L27 I28 N30 K34L27-D36 WeakPolarHBondContact CA-O 3.16Å; I28-D36 HydrophobicContact CG1-CB 4.3Å; I28-D36 WeakPolarHBondContact CG1-O 3.3Å; I28-D36 PolarHBondContact N-O 2.95Å; I28-D36 PolarHBondContact O-N 3.26Å; N30-D36 HydrophobicContact CB-CB 3.87Å; N30-D36 PolarHBondContact ND2-OD2 3.2Å; K34-D36 PolarHBondContact O-N 3.38Å
37F80.9Confident64.9Low42 Ų4291.6 Ų91.618%0.18449%0.485CS..EExtended strand (participates in β ladder)trans-100.9138.3177.9-63.2-71.6000111.6Q25 R26 L27 K39 I81 I86 V250Q25-F37 HydrophobicContact CB-CB 3.95Å; Q25-F37 HydrophobicContact CB-CD1 3.38Å; Q25-F37 HydrophobicContact CB-CE1 4.18Å; Q25-F37 HydrophobicContact CB-CG 3.91Å; Q25-F37 HydrophobicContact CG-CB 4.49Å; Q25-F37 HydrophobicContact CG-CD1 4.4Å; R26-F37 WeakPolarHBondContact O-CA 3.46Å; L27-F37 HydrophobicContact CD2-CD1 3.65Å; L27-F37 HydrophobicContact CD2-CE1 3.31Å; L27-F37 HydrophobicContact CD2-CZ 3.98Å; L27-F37 HydrophobicContact CG-CD1 4.45Å; L27-F37 HydrophobicContact CG-CE1 4.2Å; F37-K39 PolarHBondContact O-N 2.98Å; F37-I81 HydrophobicContact CE1-CD1 4.21Å; F37-I81 HydrophobicContact CE2-CD1 4.42Å; F37-I81 HydrophobicContact CZ-CB 4.15Å; F37-I81 HydrophobicContact CZ-CD1 3.62Å; F37-I81 HydrophobicContact CZ-CG1 4.25Å; F37-I86 HydrophobicContact CE1-CD1 4.44Å; F37-I86 HydrophobicContact CZ-CD1 4.08Å; F37-V250 HydrophobicContact CD1-CG2 4.45Å; F37-V250 HydrophobicContact CE1-CG2 3.54Å; F37-V250 HydrophobicContact CZ-CG2 4.28Å
38M74.9Confident62.4Low53 Ų53100.2 Ų100.226%0.26153%0.526SS..PPolyproline II helixtrans-62.8121.2171.8-164.5-177.695.400108.8R26 I28R26-M38 HydrophobicContact CB-CB 3.97Å; R26-M38 HydrophobicContact CB-SD 4.48Å; R26-M38 PolarHBondContact O-N 3.5Å; I28-M38 HydrophobicContact CG2-CB 3.94Å; I28-M38 HydrophobicContact CG2-CG 4.38Å
39K65.9Low59.8Low170 Ų170104.1 Ų104.174%0.73956%0.555SS**PPolyproline II helixtrans-63.2138.3176.1-68.4-175.8-178.8179.10109.6F37F37-K39 PolarHBondContact O-N 2.98Å
40P56.3Low57.2Low36 Ų36111.7 Ų111.723%0.23459%0.589CS.*PPolyproline II helixtrans-63.6137.717724.6-31.6000110.3I42 N73P40-I42 PolarHBondContact O-N 3.2Å; P40-N73 VanDerWaalsContact CG-ND2 3.28Å; P40-N73 WeakPolarHBondContact CG-ND2 3.34Å
41E48.7Very low54.8Low148 Ų148117.2 Ų117.269%0.69262%0.619SS**  trans-70.8106.8167.4-71.3179.3-178.500108.2F43E41-F43 HydrophobicContact CB-CE2 4.03Å; E41-F43 HydrophobicContact CB-CZ 4.45Å; E41-F43 PolarHBondContact O-N 3.1Å
42I39.3Very low52.5Low150 Ų150114.9 Ų114.977%0.76961%0.612SS**  trans-81.5101.9174.9-57.4173.1000107.1P40 S44P40-I42 PolarHBondContact O-N 3.2Å; I42-S44 PolarHBondContact O-N 3.47Å; I42-S44 VanDerWaalsContact O-N 3.16Å
43F33.6Very low50Low159 Ų159117.5 Ų117.570%0.69762%0.619SS**  trans-74102.8168.9-70.1-82.1000108.8E41 I45E41-F43 HydrophobicContact CB-CE2 4.03Å; E41-F43 HydrophobicContact CB-CZ 4.45Å; E41-F43 PolarHBondContact O-N 3.1Å; F43-I45 PolarHBondContact O-N 3.11Å; F43-I45 VanDerWaalsContact O-N 3.16Å
44S28.5Very low47.6Very low94 Ų94126.1 Ų126.166%0.65763%0.633SS**  trans-69.2108.6167.7500000108.6I42 N46I42-S44 PolarHBondContact O-N 3.47Å; I42-S44 VanDerWaalsContact O-N 3.16Å; S44-N46 VanDerWaalsContact C-N 3.3Å; S44-N46 PolarHBondContact O-N 3.45Å
45I32Very low45Very low118 Ų118123.1 Ų123.161%0.60564%0.638SS**  trans-64.996.3167.6-58.8172.4000106.6F43 S47 D66F43-I45 PolarHBondContact O-N 3.11Å; F43-I45 VanDerWaalsContact O-N 3.16Å; I45-S47 PolarHBondContact O-N 3.01Å; I45-S47 VanDerWaalsContact O-N 3.09Å; I45-D66 WeakPolarHBondContact CD1-OD2 3.34Å
46N31.2Very low42.6Very low132 Ų132130.2 Ų130.271%0.70667%0.666SS**  trans-59.6116.6167.2-85.7-16.2000107.3S44 Q48S44-N46 VanDerWaalsContact C-N 3.3Å; S44-N46 PolarHBondContact O-N 3.45Å; N46-Q48 PolarHBondContact O-N 3.39Å
47S31.7Very low40.3Very low113 Ų113136.5 Ų136.579%0.7969%0.69SS**SBendtrans-69.849.8-179.859.30000112.8I45I45-S47 PolarHBondContact O-N 3.01Å; I45-S47 VanDerWaalsContact O-N 3.09Å
48Q31.1Very low38.1Very low182 Ų182141.6 Ų141.685%0.8572%0.715SS**  trans-120.830.5178.1-73.4-162.2-14.600113.4N46 Q50N46-Q48 PolarHBondContact O-N 3.39Å; Q48-Q50 VanDerWaalsContact C-N 3.35Å
49S31.3Very low36.4Very low108 Ų108141.5 Ų141.576%0.75572%0.719SS**  trans-98.152.116369.80000111.3N51S49-N51 PolarHBondContact O-N 3.44Å
50Q31.6Very low35.1Very low177 Ų177138.7 Ų138.783%0.82772%0.716SS**  trans-80.5103.4153.8-75.1-170.8-5.200106.3Q48Q48-Q50 VanDerWaalsContact C-N 3.35Å
51N32.9Very low34.6Very low155 Ų155143 Ų14383%0.82973%0.733SS**  trans13252.8164.3-67-24.3000114.8S49S49-N51 PolarHBondContact O-N 3.44Å
52I31.5Very low34.4Very low152 Ų152139.4 Ų139.478%0.77972%0.718SS**  trans-138.783.5151.6-53.8179.8000108.9R54I52-R54 PolarHBondContact O-N 3.18Å
53Q32.3Very low34.6Very low191 Ų191136.5 Ų136.589%0.89370%0.704SS**  trans-73.695.2159.5-75.8-169.1-11.300108.4
54R31.4Very low35.6Very low241 Ų241131.9 Ų131.991%0.90969%0.691SS**SBendtrans162.895.6150.7-93.4169.2-177.4-173.52108.7I52I52-R54 PolarHBondContact O-N 3.18Å
55G30.7Very low36.9Very low62 Ų62132.4 Ų132.464%0.63968%0.681SS**  trans151.443.1175.100000115.1K57G55-K57 VanDerWaalsContact C-N 3.26Å; G55-K57 PolarHBondContact O-N 3.33Å
56F34.8Very low38.3Very low187 Ų187129.9 Ų129.982%0.8267%0.669SS**THydrogen-bonded Turntrans-81.733.3-165.3-129.8-86.3000116
57K36.3Very low40.1Very low197 Ų197129.9 Ų129.986%0.85766%0.663SS**THydrogen-bonded Turntrans-112.6-7.2173-87.9-170.5176.2-176.90115.2G55G55-K57 VanDerWaalsContact C-N 3.26Å; G55-K57 PolarHBondContact O-N 3.33Å
58Q34.6Very low41.6Very low149 Ų149125.3 Ų125.370%0.69663%0.628SS**SBendtrans-93-19.6-175.8-131.3157.2-12.700114.1
59S39.2Very low43.2Very low51 Ų51120.1 Ų120.136%0.35760%0.604SS.*Hα-helixtrans-76-29.9-172.257.20000115.5I63S59-I63 WeakPolarHBondContact O-CB 3.46Å; S59-I63 VanDerWaalsContact O-CD1 3.25Å; S59-I63 WeakPolarHBondContact O-CD1 3.06Å; S59-I63 WeakPolarHBondContact O-CG1 3.25Å; S59-I63 PolarHBondContact O-N 2.95Å
60V37.2Very low44.9Very low110 Ų110120.3 Ų120.367%0.66760%0.596SS**Hα-helixtrans-76.4-39.2-174.9-179.50000111.9S64V60-S64 WeakPolarHBondContact O-CB 3.13Å; V60-S64 PolarHBondContact O-N 2.84Å
61E45.4Very low46.6Very low126 Ų126113.2 Ų113.259%0.58957%0.567SS**Hα-helixtrans-67.5-43.4178.4-73.9-173.9179.700111.6S64 K65E61-S64 PolarHBondContact O-N 3.33Å; E61-S64 PolarHBondContact O-OG 3.04Å; E61-K65 WeakPolarHBondContact O-CG 2.99Å; E61-K65 PolarHBondContact O-N 3.14Å
62D46.2Very low48.3Very low73 Ų73105.9 Ų105.939%0.3953%0.528SS..Hα-helixtrans-67-43.4-178.2-68.7-21.8000111.8S64 K65 D66D62-S64 PolarHBondContact O-N 3.47Å; D62-K65 PolarHBondContact O-N 3.37Å; D62-K65 IonicContact OD1-NZ 3.42Å; D62-D66 PolarHBondContact O-N 3.05Å; D62-D66 VanDerWaalsContact O-N 3.08Å
63I43.9Very low49.9Very low90 Ų9099.6 Ų99.646%0.46250%0.496SS..Hα-helixtrans-59.9-36.7173.6-66.4167.2000111.4S59 K67S59-I63 WeakPolarHBondContact O-CB 3.46Å; S59-I63 VanDerWaalsContact O-CD1 3.25Å; S59-I63 WeakPolarHBondContact O-CD1 3.06Å; S59-I63 WeakPolarHBondContact O-CG1 3.25Å; S59-I63 PolarHBondContact O-N 2.95Å; I63-K67 PolarHBondContact O-N 2.92Å
64S53.3Low51.7Low62 Ų6297.1 Ų97.143%0.43448%0.484SS..Hα-helixtrans-70-36.9179.180.50000112.7V60 E61 D62 R68V60-S64 WeakPolarHBondContact O-CB 3.13Å; V60-S64 PolarHBondContact O-N 2.84Å; E61-S64 PolarHBondContact O-N 3.33Å; E61-S64 PolarHBondContact O-OG 3.04Å; D62-S64 PolarHBondContact O-N 3.47Å; S64-R68 PolarHBondContact O-N 3.07Å
65K57Low53.6Low104 Ų10487.3 Ų87.345%0.45245%0.448SS..Hα-helixtrans-64.5-42.9175.6-74.8174-174.11630110.9Y22 E61 D62 R68 Q69Y22-K65 PolarHBondContact OH-O 2.98Å; E61-K65 WeakPolarHBondContact O-CG 2.99Å; E61-K65 PolarHBondContact O-N 3.14Å; D62-K65 PolarHBondContact O-N 3.37Å; D62-K65 IonicContact OD1-NZ 3.42Å; K65-R68 PolarHBondContact O-N 3.34Å; K65-Q69 WeakPolarHBondContact O-CB 3.26Å; K65-Q69 PolarHBondContact O-N 2.78Å
66D61.3Low55.4Low66 Ų6684.7 Ų84.735%0.35342%0.419SS..Hα-helixtrans-61.8-47.9179.3-74.8-14.1000112.2I45 D62 R68 Q69 I70I45-D66 WeakPolarHBondContact CD1-OD2 3.34Å; D62-D66 PolarHBondContact O-N 3.05Å; D62-D66 VanDerWaalsContact O-N 3.08Å; D66-R68 VanDerWaalsContact C-N 3.25Å; D66-R68 PolarHBondContact O-N 3.37Å; D66-Q69 PolarHBondContact O-N 2.67Å; D66-I70 WeakPolarHBondContact O-CD1 3.41Å; D66-I70 VanDerWaalsContact O-CG1 3.25Å; D66-I70 WeakPolarHBondContact O-CG1 2.98Å; D66-I70 PolarHBondContact O-N 2.66Å
67K67.7Low57Low132 Ų13282.1 Ų82.157%0.57441%0.409SS*.Hα-helixtrans-59.3-38.6178.7-73.9-177.4178.8-177.90112.4I63 A71 Y312I63-K67 PolarHBondContact O-N 2.92Å; K67-A71 PolarHBondContact O-N 2.85Å; K67-Y312 VanDerWaalsContact C-OH 3.32Å; K67-Y312 VanDerWaalsContact CB-OH 3.26Å; K67-Y312 WeakPolarHBondContact CB-OH 3.17Å
68R63Low58.6Low16 Ų1676.4 Ų76.46%0.0639%0.394CS..Hα-helixtrans-74-43.1-178.5-169.4176.2170-158.9-6.3110.9Y22 S64 K65 D66 I70 A71 Q72 R311 Y312 D314 G354Y22-R68 VanDerWaalsContact CD1-CZ 3.46Å; Y22-R68 HydrophobicContact CE1-CB 4.3Å; Y22-R68 HydrophobicContact CE1-CG 3.62Å; Y22-R68 VanDerWaalsContact OH-CB 3.28Å; Y22-R68 WeakPolarHBondContact OH-CB 3.19Å; S64-R68 PolarHBondContact O-N 3.07Å; K65-R68 PolarHBondContact O-N 3.34Å; D66-R68 VanDerWaalsContact C-N 3.25Å; D66-R68 PolarHBondContact O-N 3.37Å; R68-I70 VanDerWaalsContact C-N 3.28Å; R68-I70 PolarHBondContact O-N 3.48Å; R68-A71 PolarHBondContact O-N 3.29Å; R68-Q72 HydrophobicContact CG-CG 4.48Å; R68-Q72 WeakPolarHBondContact O-CB 3.44Å; R68-Q72 WeakPolarHBondContact O-CG 3.34Å; R68-Q72 PolarHBondContact O-N 3.48Å; R68-R311 PolarHBondContact NH2-O 2.92Å; R68-Y312 VanDerWaalsContact CA-CZ 3.49Å; R68-Y312 WeakPolarHBondContact CA-OH 3.47Å; R68-Y312 HydrophobicContact CB-CD2 4.4Å; R68-Y312 HydrophobicContact CB-CE1 3.89Å; R68-Y312 HydrophobicContact CB-CE2 3.7Å; R68-Y312 VanDerWaalsContact CB-CZ 3.41Å; R68-Y312 WeakPolarHBondContact CB-OH 3.5Å; R68-Y312 WeakPolarHBondContact CD-O 3.36Å; R68-Y312 HydrophobicContact CG-CD1 4.11Å; R68-Y312 HydrophobicContact CG-CD2 3.91Å; R68-Y312 HydrophobicContact CG-CE1 3.94Å; R68-Y312 HydrophobicContact CG-CE2 3.72Å; R68-Y312 HydrophobicContact CG-CG 4.12Å; R68-Y312 WeakPolarHBondContact CG-O 3.17Å; R68-Y312 PolarHBondContact N-OH 2.78Å; R68-Y312 PolarHBondContact NE-O 2.87Å; R68-D314 PolarHBondContact NH2-O 2.84Å; R68-G354 PolarHBondContact NH1-O 2.85Å
69Q65.4Low60.3Low74 Ų7470.8 Ų70.835%0.34637%0.369SS..Hα-helixtrans-54.7-44.5171.4-172.481.555.500111.3K65 D66 Q72 N73K65-Q69 WeakPolarHBondContact O-CB 3.26Å; K65-Q69 PolarHBondContact O-N 2.78Å; D66-Q69 PolarHBondContact O-N 2.67Å; Q69-Q72 PolarHBondContact O-N 3.43Å; Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 PolarHBondContact O-N 3.23Å; Q69-N73 PolarHBondContact O-ND2 3.46Å; Q69-N73 PolarHBondContact O-OD1 3.05Å
70I66Low61.8Low112 Ų11276.2 Ų76.257%0.57439%0.388SS*.Hα-helixtrans-61.3-49.2176.5-68.3163.7000111.2D66 R68 Q72 N73 H74D66-I70 WeakPolarHBondContact O-CD1 3.41Å; D66-I70 VanDerWaalsContact O-CG1 3.25Å; D66-I70 WeakPolarHBondContact O-CG1 2.98Å; D66-I70 PolarHBondContact O-N 2.66Å; R68-I70 VanDerWaalsContact C-N 3.28Å; R68-I70 PolarHBondContact O-N 3.48Å; I70-Q72 VanDerWaalsContact C-N 3.3Å; I70-Q72 PolarHBondContact O-N 2.04Å; I70-N73 PolarHBondContact O-N 2.73Å; I70-H74 WeakPolarHBondContact O-CB 3.26Å; I70-H74 PolarHBondContact O-N 3.12Å
71A67.9Low63.6Low28 Ų2871.5 Ų71.523%0.23136%0.359CS..Hα-helixtrans-61.7-39.1179.900000112.2K67 R68 F75 Y312 V313K67-A71 PolarHBondContact O-N 2.85Å; R68-A71 PolarHBondContact O-N 3.29Å; A71-F75 WeakPolarHBondContact O-CB 3.43Å; A71-F75 PolarHBondContact O-N 3.17Å; A71-Y312 HydrophobicContact CB-CD1 3.97Å; A71-Y312 HydrophobicContact CB-CE1 3.76Å; A71-V313 HydrophobicContact CB-CG1 4.3Å
72Q68.7Low65.1Low0 Ų067.3 Ų67.30%034%0.343CS..Hα-helixtrans-66.5-49.9175.9-71173.6-37.100111.4Y22 R68 Q69 I70 H74 F75 F76 V313 D314Y22-Q72 VanDerWaalsContact CE1-NE2 3.28Å; Y22-Q72 VanDerWaalsContact CE1-OE1 3.26Å; Y22-Q72 PolarHBondContact O-NE2 2.02Å; R68-Q72 HydrophobicContact CG-CG 4.48Å; R68-Q72 WeakPolarHBondContact O-CB 3.44Å; R68-Q72 WeakPolarHBondContact O-CG 3.34Å; R68-Q72 PolarHBondContact O-N 3.48Å; Q69-Q72 PolarHBondContact O-N 3.43Å; I70-Q72 VanDerWaalsContact C-N 3.3Å; I70-Q72 PolarHBondContact O-N 2.04Å; Q72-H74 VanDerWaalsContact C-N 3.25Å; Q72-H74 PolarHBondContact O-N 2.86Å; Q72-F75 CarbonylContact O-C 3.49Å; Q72-F75 WeakPolarHBondContact O-CA 3.26Å; Q72-F75 WeakPolarHBondContact O-CB 3.48Å; Q72-F75 PolarHBondContact O-N 3.24Å; Q72-F76 WeakPolarHBondContact O-CD2 3.32Å; Q72-F76 PolarHBondContact O-N 3.24Å; Q72-V313 WeakPolarHBondContact CG-O 3.42Å; Q72-D314 PolarHBondContact NE2-O 3.13Å
73N66.2Low66.6Low21 Ų2169.7 Ų69.711%0.11235%0.352CS..Hα-helixtrans-55.8-45.3176.7-67.6-18.2000110.7P40 Q69 I70 F75 F76 H77P40-N73 VanDerWaalsContact CG-ND2 3.28Å; P40-N73 WeakPolarHBondContact CG-ND2 3.34Å; Q69-N73 WeakPolarHBondContact O-CB 3.36Å; Q69-N73 PolarHBondContact O-N 3.23Å; Q69-N73 PolarHBondContact O-ND2 3.46Å; Q69-N73 PolarHBondContact O-OD1 3.05Å; I70-N73 PolarHBondContact O-N 2.73Å; N73-F75 PolarHBondContact O-N 2.84Å; N73-F76 PolarHBondContact O-N 3.11Å; N73-H77 WeakPolarHBondContact O-CB 3.4Å; N73-H77 PolarHBondContact O-CD2 2.97Å; N73-H77 PolarHBondContact O-N 2.78Å
74H68.9Low68.1Low139 Ų13969.8 Ų69.864%0.64436%0.36SS*.Hα-helixtrans-60.4-44.3175.3-173.5-76.5000111.9I70 Q72 H77 S78I70-H74 WeakPolarHBondContact O-CB 3.26Å; I70-H74 PolarHBondContact O-N 3.12Å; Q72-H74 VanDerWaalsContact C-N 3.25Å; Q72-H74 PolarHBondContact O-N 2.86Å; H74-H77 PolarHBondContact O-N 2.9Å; H74-S78 WeakPolarHBondContact O-CB 3.25Å; H74-S78 PolarHBondContact O-N 3.2Å; H74-S78 PolarHBondContact O-OG 3.48Å
75F71.9Confident69.4Low34 Ų3467.1 Ų67.115%0.14934%0.341CS..Hα-helixtrans-62.3-49.7177.4-177.9-102.2000112A71 Q72 N73 H77 S78 I79 I225 F252 H254 V313A71-F75 WeakPolarHBondContact O-CB 3.43Å; A71-F75 PolarHBondContact O-N 3.17Å; Q72-F75 CarbonylContact O-C 3.49Å; Q72-F75 WeakPolarHBondContact O-CA 3.26Å; Q72-F75 WeakPolarHBondContact O-CB 3.48Å; Q72-F75 PolarHBondContact O-N 3.24Å; N73-F75 PolarHBondContact O-N 2.84Å; F75-H77 VanDerWaalsContact C-N 3.34Å; F75-H77 PolarHBondContact O-N 3.2Å; F75-S78 WeakPolarHBondContact CA-OG 3.49Å; F75-S78 WeakPolarHBondContact O-CA 3.49Å; F75-S78 PolarHBondContact O-N 3.37Å; F75-S78 PolarHBondContact O-OG 2.6Å; F75-I79 HydrophobicContact CD1-CD1 4.37Å; F75-I79 HydrophobicContact CD2-CD1 4.09Å; F75-I79 HydrophobicContact CE1-CD1 3.73Å; F75-I79 HydrophobicContact CE2-CD1 3.41Å; F75-I79 VanDerWaalsContact CE2-CD1 3.41Å; F75-I79 HydrophobicContact CE2-CG1 4.46Å; F75-I79 HydrophobicContact CZ-CD1 3.2Å; F75-I79 HydrophobicContact CZ-CG1 4.46Å; F75-I79 PolarHBondContact O-N 3.42Å; F75-I225 HydrophobicContact CZ-CD1 4.3Å; F75-F252 HydrophobicContact CE1-CB 3.91Å; F75-F252 HydrophobicContact CE1-CD2 4.32Å; F75-F252 HydrophobicContact CE1-CG 4.13Å; F75-H254 AromaticContact CE1-CE1 3.99Å; F75-H254 AromaticContact CZ-CE1 3.43Å; F75-H254 VanDerWaalsContact CZ-CE1 3.43Å; F75-H254 WeakPolarHBondContact CZ-CE1 3.48Å; F75-H254 AromaticContact CZ-NE2 3.76Å; F75-V313 HydrophobicContact CB-CB 4.15Å; F75-V313 HydrophobicContact CB-CG1 4.29Å; F75-V313 HydrophobicContact CD1-CB 4.39Å; F75-V313 HydrophobicContact CD1-CG2 4.41Å; F75-V313 HydrophobicContact CD2-CG2 4.29Å; F75-V313 HydrophobicContact CE2-CG2 4.45Å; F75-V313 HydrophobicContact CG-CB 4.11Å; F75-V313 HydrophobicContact CG-CG2 4.25Å
76F69.2Low70.6Confident8 Ų862.6 Ų62.64%0.03532%0.322CS..Hα-helixtrans-61.9-40.4177.3-86.3-103.9000112.5G23 Q25 Q72 N73 S78 I79 F252G23-F76 WeakPolarHBondContact O-CD2 3.45Å; G23-F76 WeakPolarHBondContact O-CE2 3.5Å; G23-F76 WeakPolarHBondContact O-CZ 2.93Å; Q25-F76 HydrophobicContact CG-CD1 3.86Å; Q25-F76 HydrophobicContact CG-CE1 4.12Å; Q25-F76 HydrophobicContact CG-CG 4.32Å; Q72-F76 WeakPolarHBondContact O-CD2 3.32Å; Q72-F76 PolarHBondContact O-N 3.24Å; N73-F76 PolarHBondContact O-N 3.11Å; F76-S78 PolarHBondContact O-N 3.43Å; F76-I79 CarbonylContact O-C 3.37Å; F76-I79 PolarHBondContact O-N 3.39Å; F76-I79 VanDerWaalsContact O-N 3.14Å; F76-F252 AromaticContact CD1-CD2 3.47Å; F76-F252 HydrophobicContact CD1-CD2 3.47Å; F76-F252 VanDerWaalsContact CD1-CD2 3.47Å; F76-F252 AromaticContact CD1-CE2 3.73Å; F76-F252 HydrophobicContact CD1-CE2 3.73Å; F76-F252 HydrophobicContact CD2-CD2 4.12Å; F76-F252 HydrophobicContact CE1-CB 4.48Å; F76-F252 AromaticContact CE1-CD2 3.32Å; F76-F252 HydrophobicContact CE1-CD2 3.32Å; F76-F252 AromaticContact CE1-CE2 3.91Å; F76-F252 HydrophobicContact CE1-CE2 3.91Å; F76-F252 HydrophobicContact CE1-CG 4.24Å; F76-F252 HydrophobicContact CE2-CB 4.18Å; F76-F252 AromaticContact CE2-CD2 3.96Å; F76-F252 HydrophobicContact CE2-CD2 3.96Å; F76-F252 AromaticContact CG-CD2 3.9Å; F76-F252 HydrophobicContact CG-CD2 3.9Å; F76-F252 HydrophobicContact CG-CE2 4.3Å; F76-F252 HydrophobicContact CZ-CB 3.95Å; F76-F252 AromaticContact CZ-CD2 3.61Å; F76-F252 HydrophobicContact CZ-CD2 3.61Å; F76-F252 HydrophobicContact CZ-CG 4.2Å
77H68.5Low71.6Confident133 Ų13362.6 Ų62.662%0.61632%0.32SS*.Hα-helixtrans-67.5-24.3175.4-73.6-54.1000113N73 H74 F75 I79N73-H77 WeakPolarHBondContact O-CB 3.4Å; N73-H77 PolarHBondContact O-CD2 2.97Å; N73-H77 PolarHBondContact O-N 2.78Å; H74-H77 PolarHBondContact O-N 2.9Å; F75-H77 VanDerWaalsContact C-N 3.34Å; F75-H77 PolarHBondContact O-N 3.2Å; H77-I79 VanDerWaalsContact C-N 3.33Å
78S69.4Low72.4Confident77 Ų7758.5 Ų58.554%0.53830%0.302SS..Hα-helixtrans-80.1-12.2173.770.10000114H74 F75 F76H74-S78 WeakPolarHBondContact O-CB 3.25Å; H74-S78 PolarHBondContact O-N 3.2Å; H74-S78 PolarHBondContact O-OG 3.48Å; F75-S78 WeakPolarHBondContact CA-OG 3.49Å; F75-S78 WeakPolarHBondContact O-CA 3.49Å; F75-S78 PolarHBondContact O-N 3.37Å; F75-S78 PolarHBondContact O-OG 2.6Å; F76-S78 PolarHBondContact O-N 3.43Å
79I69.8Low73.6Confident31 Ų3157.8 Ų57.816%0.15930%0.299CS..SBendtrans-129.6104.2-174.6-61-172.5000110.1F75 F76 H77 I81 I225 F252 Y334F75-I79 HydrophobicContact CD1-CD1 4.37Å; F75-I79 HydrophobicContact CD2-CD1 4.09Å; F75-I79 HydrophobicContact CE1-CD1 3.73Å; F75-I79 HydrophobicContact CE2-CD1 3.41Å; F75-I79 VanDerWaalsContact CE2-CD1 3.41Å; F75-I79 HydrophobicContact CE2-CG1 4.46Å; F75-I79 HydrophobicContact CZ-CD1 3.2Å; F75-I79 HydrophobicContact CZ-CG1 4.46Å; F75-I79 PolarHBondContact O-N 3.42Å; F76-I79 CarbonylContact O-C 3.37Å; F76-I79 PolarHBondContact O-N 3.39Å; F76-I79 VanDerWaalsContact O-N 3.14Å; H77-I79 VanDerWaalsContact C-N 3.33Å; I79-I81 PolarHBondContact O-N 2.89Å; I79-I225 HydrophobicContact CD1-CD1 3.73Å; I79-I225 HydrophobicContact CG2-CD1 4.16Å; I79-F252 HydrophobicContact CB-CE2 4.25Å; I79-F252 HydrophobicContact CB-CZ 4.17Å; I79-F252 HydrophobicContact CG2-CE1 3.88Å; I79-F252 HydrophobicContact CG2-CE2 3.95Å; I79-F252 HydrophobicContact CG2-CZ 3.38Å; I79-Y334 HydrophobicContact CG2-CE1 3.71Å; I79-Y334 HydrophobicContact CG2-CE2 4.12Å; I79-Y334 WeakPolarHBondContact CG2-OH 3.46Å
80Q70.2Confident74.7Confident165 Ų16555 Ų5577%0.77129%0.286SS*.PPolyproline II helixtrans-75.9123.6178-173.3177.9-5.600111Y334Q80-Y334 PolarHBondContact O-OH 2.8Å
81I75.6Confident75.7Confident10 Ų1051.8 Ų51.85%0.05127%0.271CS..PPolyproline II helixtrans-78.5125.6169.4-60172.3000108.6F37 I79 E83 L85 I86 I227 V250 F252F37-I81 HydrophobicContact CE1-CD1 4.21Å; F37-I81 HydrophobicContact CE2-CD1 4.42Å; F37-I81 HydrophobicContact CZ-CB 4.15Å; F37-I81 HydrophobicContact CZ-CD1 3.62Å; F37-I81 HydrophobicContact CZ-CG1 4.25Å; I79-I81 PolarHBondContact O-N 2.89Å; I81-E83 PolarHBondContact O-N 3.18Å; I81-L85 HydrophobicContact CG2-CB 4.22Å; I81-L85 HydrophobicContact CG2-CD2 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; I81-I86 HydrophobicContact CB-CD1 4.3Å; I81-I86 HydrophobicContact CG2-CD1 3.56Å; I81-I86 HydrophobicContact CG2-CG1 3.83Å; I81-I227 HydrophobicContact CB-CD1 4.48Å; I81-I227 HydrophobicContact CD1-CD1 3.75Å; I81-I227 HydrophobicContact CG1-CD1 3.75Å; I81-I227 HydrophobicContact CG2-CD1 3.9Å; I81-V250 HydrophobicContact CD1-CG2 3.95Å; I81-F252 HydrophobicContact CD1-CE2 3.71Å; I81-F252 HydrophobicContact CD1-CZ 3.74Å; I81-F252 HydrophobicContact CG1-CE1 4.21Å; I81-F252 HydrophobicContact CG1-CE2 3.66Å; I81-F252 HydrophobicContact CG1-CZ 3.28Å
82P76.7Confident76.7Confident38 Ų3851.1 Ų51.125%0.24726%0.262CS..PPolyproline II helixtrans-58.7137.4178-2434000112.2S84 L85 I86P82-S84 PolarHBondContact O-N 2.93Å; P82-L85 HydrophobicContact CB-CB 4.35Å; P82-L85 WeakPolarHBondContact O-CB 3.42Å; P82-L85 PolarHBondContact O-N 3.28Å; P82-I86 PolarHBondContact O-N 2.69Å
83E77.4Confident77.9Confident124 Ų12451.1 Ų51.158%0.57926%0.262SS*.Hα-helixtrans-58.8-36.1178.8-172.5170.5-17100111.9I81 L85 I86 Q87I81-E83 PolarHBondContact O-N 3.18Å; E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.22Å; E83-I86 PolarHBondContact O-N 2.67Å; E83-Q87 WeakPolarHBondContact O-CB 3.25Å; E83-Q87 PolarHBondContact O-N 3.27Å
84S75Confident79.2Confident91 Ų9150.1 Ų50.164%0.63626%0.257SS*.Hα-helixtrans-60.7-33.9173.9550000113.3P82 F88P82-S84 PolarHBondContact O-N 2.93Å; S84-F88 WeakPolarHBondContact O-CB 3.27Å; S84-F88 PolarHBondContact O-N 3.04Å
85L81.2Confident80.4Confident7 Ų743.5 Ų43.54%0.03723%0.226CC..Hα-helixtrans-71.5-41.5176.1-173.666.6000111.6I81 P82 E83 Q87 F88 L89 I227 L327 W341I81-L85 HydrophobicContact CG2-CB 4.22Å; I81-L85 HydrophobicContact CG2-CD2 3.75Å; I81-L85 HydrophobicContact CG2-CG 4.4Å; P82-L85 HydrophobicContact CB-CB 4.35Å; P82-L85 WeakPolarHBondContact O-CB 3.42Å; P82-L85 PolarHBondContact O-N 3.28Å; E83-L85 VanDerWaalsContact C-N 3.28Å; E83-L85 PolarHBondContact O-N 3.22Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-F88 WeakPolarHBondContact O-CB 3.2Å; L85-F88 PolarHBondContact O-N 2.92Å; L85-L89 PolarHBondContact O-N 3.02Å; L85-I227 HydrophobicContact CD2-CD1 3.59Å; L85-L327 HydrophobicContact CD1-CD1 3.77Å; L85-L327 HydrophobicContact CG-CD1 4.46Å; L85-W341 HydrophobicContact CD1-CB 3.52Å; L85-W341 HydrophobicContact CD1-CD2 3.88Å; L85-W341 HydrophobicContact CD1-CE3 4.46Å; L85-W341 HydrophobicContact CD1-CG 3.43Å; L85-W341 VanDerWaalsContact CD1-CG 3.43Å; L85-W341 HydrophobicContact CD2-CD2 3.46Å; L85-W341 VanDerWaalsContact CD2-CD2 3.46Å; L85-W341 HydrophobicContact CD2-CE3 3.87Å; L85-W341 HydrophobicContact CD2-CG 3.88Å; L85-W341 HydrophobicContact CD2-CH2 4.05Å; L85-W341 HydrophobicContact CD2-CZ2 3.66Å; L85-W341 HydrophobicContact CD2-CZ3 4.15Å; L85-W341 HydrophobicContact CG-CD2 4.29Å; L85-W341 HydrophobicContact CG-CG 4.23Å
86I83.1Confident81.4Confident9 Ų941.9 Ų41.95%0.04622%0.219CC..Hα-helixtrans-63-43.4175.5-62.3-55.4000110.2L27 V35 F37 I81 P82 E83 L89 L90L27-I86 HydrophobicContact CD1-CD1 4.3Å; L27-I86 HydrophobicContact CD1-CG2 3.81Å; L27-I86 HydrophobicContact CD2-CD1 4.14Å; L27-I86 HydrophobicContact CD2-CG2 3.95Å; V35-I86 HydrophobicContact CG1-CG2 3.64Å; F37-I86 HydrophobicContact CE1-CD1 4.44Å; F37-I86 HydrophobicContact CZ-CD1 4.08Å; I81-I86 HydrophobicContact CB-CD1 4.3Å; I81-I86 HydrophobicContact CG2-CD1 3.56Å; I81-I86 HydrophobicContact CG2-CG1 3.83Å; P82-I86 PolarHBondContact O-N 2.69Å; E83-I86 PolarHBondContact O-N 2.67Å; I86-L89 WeakPolarHBondContact O-CB 3.43Å; I86-L89 PolarHBondContact O-N 2.88Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.36Å; I86-L90 WeakPolarHBondContact O-CG 3.46Å; I86-L90 PolarHBondContact O-N 2.93Å
87Q82.4Confident82.5Confident66 Ų6642 Ų4231%0.30822%0.22SC..Hα-helixtrans-62.8-44.2176.4-170.555.944.700111.5E83 L85 L89 L90 D91E83-Q87 WeakPolarHBondContact O-CB 3.25Å; E83-Q87 PolarHBondContact O-N 3.27Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 3Å; Q87-L90 PolarHBondContact O-N 2.75Å; Q87-D91 PolarHBondContact NE2-OD1 3.14Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.09Å; Q87-D91 PolarHBondContact NE2-OD2 3.16Å; Q87-D91 WeakPolarHBondContact O-CB 3.32Å; Q87-D91 PolarHBondContact O-N 2.88Å
88F84.1Confident83.4Confident46 Ų4638.6 Ų38.620%0.20220%0.203CC..Hα-helixtrans-53.8-45.7173.7172.7-85.3000112.2S84 L85 D91 R92 L211 L327S84-F88 WeakPolarHBondContact O-CB 3.27Å; S84-F88 PolarHBondContact O-N 3.04Å; L85-F88 WeakPolarHBondContact O-CB 3.2Å; L85-F88 PolarHBondContact O-N 2.92Å; F88-D91 PolarHBondContact O-N 3.45Å; F88-R92 WeakPolarHBondContact O-CB 3.46Å; F88-R92 PolarHBondContact O-N 3.32Å; F88-R92 VanDerWaalsContact O-N 3.15Å; F88-L211 HydrophobicContact CE2-CD1 4.24Å; F88-L211 HydrophobicContact CZ-CD1 3.55Å; F88-L211 HydrophobicContact CZ-CG 4.34Å; F88-L327 HydrophobicContact CD1-CD1 4.04Å; F88-L327 HydrophobicContact CE1-CD1 4.01Å; F88-L327 HydrophobicContact CE1-CD2 3.89Å
89L88.5Confident84.1Confident1 Ų136.7 Ų36.71%0.00519%0.188CC..Hα-helixtrans-64.4-48177.2-80.7176.4000111.9L85 I86 Q87 D91 R92 F93 S229 F248 V250 P325 L327L85-L89 PolarHBondContact O-N 3.02Å; I86-L89 WeakPolarHBondContact O-CB 3.43Å; I86-L89 PolarHBondContact O-N 2.88Å; Q87-L89 VanDerWaalsContact C-N 3.28Å; Q87-L89 PolarHBondContact O-N 3Å; L89-D91 VanDerWaalsContact C-N 3.26Å; L89-D91 PolarHBondContact O-N 2.92Å; L89-R92 PolarHBondContact O-N 3.05Å; L89-F93 WeakPolarHBondContact O-CB 3.38Å; L89-F93 PolarHBondContact O-N 2.78Å; L89-S229 WeakPolarHBondContact CD2-OG 3.46Å; L89-F248 HydrophobicContact CB-CE1 4.03Å; L89-F248 HydrophobicContact CB-CZ 3.93Å; L89-V250 HydrophobicContact CD1-CG1 3.83Å; L89-P325 HydrophobicContact CD2-CG 3.82Å; L89-L327 HydrophobicContact CD1-CD1 4.17Å; L89-L327 HydrophobicContact CD2-CD1 3.41Å; L89-L327 VanDerWaalsContact CD2-CD1 3.41Å; L89-L327 HydrophobicContact CD2-CG 4.46Å; L89-L327 HydrophobicContact CG-CD1 3.71Å
90L88.9Confident84.4Confident14 Ų1439 Ų397%0.07320%0.2CC..Hα-helixtrans-62-34178.5-71.4174.3000112.5V35 I86 Q87 L144 F156 F248V35-L90 HydrophobicContact CG1-CD1 4.44Å; V35-L90 HydrophobicContact CG2-CD1 4.41Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.36Å; I86-L90 WeakPolarHBondContact O-CG 3.46Å; I86-L90 PolarHBondContact O-N 2.93Å; Q87-L90 PolarHBondContact O-N 2.75Å; L90-L144 HydrophobicContact CD2-CD1 3.96Å; L90-F156 HydrophobicContact CD1-CD1 4.34Å; L90-F156 HydrophobicContact CD1-CE1 3.8Å; L90-F156 HydrophobicContact CD1-CE2 4.17Å; L90-F156 HydrophobicContact CD1-CZ 3.71Å; L90-F156 HydrophobicContact CD2-CB 4.12Å; L90-F156 HydrophobicContact CD2-CD1 3.59Å; L90-F156 HydrophobicContact CD2-CD2 4.04Å; L90-F156 HydrophobicContact CD2-CE1 3.93Å; L90-F156 HydrophobicContact CD2-CE2 4.36Å; L90-F156 HydrophobicContact CD2-CG 3.64Å; L90-F156 HydrophobicContact CD2-CZ 4.3Å; L90-F156 HydrophobicContact CG-CE1 4.49Å; L90-F248 HydrophobicContact CD2-CD1 3.52Å; L90-F248 HydrophobicContact CD2-CE1 3.85Å; L90-F248 HydrophobicContact CG-CD1 4.48Å; L90-F248 HydrophobicContact CG-CE1 4.38Å
91D86.1Confident84.3Confident45 Ų4537.7 Ų37.724%0.24119%0.188CC..Hα-helixtrans-76.3-28.8179.9-76.1-31.3000113.7Q87 F88 L89 K143 L207Q87-D91 PolarHBondContact NE2-OD1 3.14Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.09Å; Q87-D91 PolarHBondContact NE2-OD2 3.16Å; Q87-D91 WeakPolarHBondContact O-CB 3.32Å; Q87-D91 PolarHBondContact O-N 2.88Å; F88-D91 PolarHBondContact O-N 3.45Å; L89-D91 VanDerWaalsContact C-N 3.26Å; L89-D91 PolarHBondContact O-N 2.92Å; D91-K143 WeakPolarHBondContact O-CE 3.43Å; D91-K143 PolarHBondContact O-NZ 3.04Å; D91-L207 HydrophobicContact CB-CD2 4.08Å
92R89.2Confident83.8Confident14 Ų1441.1 Ų41.15%0.05323%0.226CC..Hα-helixtrans-110.2-23.3-173.3-68.9-179.5165.460.1-12.3115.1F88 L89 V94 L115 L116 E206 L207 K209F88-R92 WeakPolarHBondContact O-CB 3.46Å; F88-R92 PolarHBondContact O-N 3.32Å; F88-R92 VanDerWaalsContact O-N 3.15Å; L89-R92 PolarHBondContact O-N 3.05Å; R92-V94 PolarHBondContact O-N 3.49Å; R92-L115 HydrophobicContact CB-CD1 3.6Å; R92-L116 HydrophobicContact CB-CB 4.19Å; R92-L116 WeakPolarHBondContact CD-O 3.29Å; R92-L116 HydrophobicContact CG-CB 4.33Å; R92-L116 WeakPolarHBondContact O-CB 3.48Å; R92-L116 PolarHBondContact O-N 2.9Å; R92-E206 PolarHBondContact NH2-O 3.2Å; R92-L207 VanDerWaalsContact NH2-CA 3.26Å; R92-L207 PolarHBondContact NH2-O 3.48Å; R92-K209 PolarHBondContact NH2-O 3.38Å
93F92.9Very high83.1Confident1 Ų145 Ų450%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-66.2135.5179.6-172.3-86.1000110.6L89 L144 V231 F248L89-F93 WeakPolarHBondContact O-CB 3.38Å; L89-F93 PolarHBondContact O-N 2.78Å; F93-L144 HydrophobicContact CB-CD1 4.12Å; F93-L144 HydrophobicContact CD1-CD1 3.82Å; F93-L144 HydrophobicContact CD1-CD2 3.96Å; F93-L144 HydrophobicContact CD1-CG 3.93Å; F93-L144 HydrophobicContact CE1-CD2 4.32Å; F93-L144 HydrophobicContact CG-CD1 4.29Å; F93-V231 HydrophobicContact CD1-CG1 4.34Å; F93-V231 HydrophobicContact CE1-CB 4.26Å; F93-V231 HydrophobicContact CE1-CG1 3.63Å; F93-V231 HydrophobicContact CE1-CG2 3.79Å; F93-V231 HydrophobicContact CZ-CG1 4.22Å; F93-V231 HydrophobicContact CZ-CG2 4.04Å; F93-F248 HydrophobicContact CB-CE2 3.95Å; F93-F248 HydrophobicContact CB-CZ 4.09Å; F93-F248 HydrophobicContact CD1-CD2 4.09Å; F93-F248 AromaticContact CD1-CE2 3.9Å; F93-F248 HydrophobicContact CD1-CE2 3.9Å; F93-F248 HydrophobicContact CD2-CD2 4.48Å; F93-F248 AromaticContact CD2-CE2 3.6Å; F93-F248 HydrophobicContact CD2-CE2 3.6Å; F93-F248 HydrophobicContact CD2-CZ 4.3Å; F93-F248 HydrophobicContact CE1-CD2 4.33Å; F93-F248 HydrophobicContact CE1-CE2 4.33Å; F93-F248 HydrophobicContact CE2-CE2 4.06Å; F93-F248 HydrophobicContact CG-CD2 4.17Å; F93-F248 AromaticContact CG-CE2 3.51Å; F93-F248 HydrophobicContact CG-CE2 3.51Å; F93-F248 HydrophobicContact CG-CZ 4.15Å; F93-F248 HydrophobicContact CZ-CE2 4.4Å
94V93.6Very high82.1Confident0 Ų051.3 Ų51.30%026%0.258CS..EExtended strand (participates in β ladder)trans-128.5145.2172.1-66.10000110.6R92 G113 G114 L116 I122 I141 S142 K143R92-V94 PolarHBondContact O-N 3.49Å; V94-G113 CarbonylContact O-C 3.58Å; V94-G113 WeakPolarHBondContact O-CA 3.21Å; V94-G114 WeakPolarHBondContact CG2-O 3.44Å; V94-G114 PolarHBondContact N-O 3.09Å; V94-G114 PolarHBondContact O-N 2.97Å; V94-L116 HydrophobicContact CG1-CD1 3.8Å; V94-L116 HydrophobicContact CG1-CD2 4.36Å; V94-L116 HydrophobicContact CG1-CG 3.8Å; V94-I122 HydrophobicContact CG2-CD1 4.1Å; V94-I122 HydrophobicContact CG2-CG1 4.09Å; V94-I122 HydrophobicContact CG2-CG2 3.6Å; V94-I141 HydrophobicContact CB-CG2 3.87Å; V94-I141 HydrophobicContact CG1-CG2 4.06Å; V94-I141 HydrophobicContact CG2-CG2 4.12Å; V94-S142 CarbonylContact C-O 3.6Å; V94-S142 WeakPolarHBondContact CA-O 3.4Å; V94-K143 HydrophobicContact CG1-CG 4.26Å
95S93.9Very high81.3Confident0 Ų053.5 Ų53.50%027%0.268CS..EExtended strand (participates in β ladder)trans-90.2128.5166.7171.10000109.4S97 H110 I141 S142S95-S97 PolarHBondContact OG-OG 2.73Å; S95-S97 VanDerWaalsContact OG-OG 3.13Å; S95-H110 PolarHBondContact OG-ND1 3.42Å; S95-I141 WeakPolarHBondContact O-CA 3.01Å; S95-S142 PolarHBondContact N-O 3.24Å; S95-S142 PolarHBondContact O-N 3.43Å
96I93.7Very high80.6Confident0 Ų056 Ų560%028%0.283CS..EExtended strand (participates in β ladder)trans-94.2121.3166.2-53.2170.7000106.6L111 C112 G113 T124 I129 L139 I141 I187I96-L111 WeakPolarHBondContact O-CA 3.16Å; I96-L111 WeakPolarHBondContact O-CB 3.15Å; I96-L111 PolarHBondContact O-N 3.49Å; I96-C112 WeakPolarHBondContact CA-O 3.49Å; I96-C112 HydrophobicContact CB-CB 4.31Å; I96-C112 WeakPolarHBondContact CB-O 3.3Å; I96-C112 HydrophobicContact CD1-CB 4.25Å; I96-C112 PolarHBondContact N-O 3.4Å; I96-C112 PolarHBondContact O-N 2.88Å; I96-C112 VanDerWaalsContact O-N 3.16Å; I96-G113 VanDerWaalsContact CD1-O 3.31Å; I96-G113 WeakPolarHBondContact CD1-O 3.22Å; I96-T124 HydrophobicContact CD1-CG2 3.86Å; I96-T124 VanDerWaalsContact CD1-OG1 3.23Å; I96-T124 WeakPolarHBondContact CD1-OG1 3.07Å; I96-I129 HydrophobicContact CD1-CG2 4.49Å; I96-L139 HydrophobicContact CG2-CD1 4.38Å; I96-L139 HydrophobicContact CG2-CD2 4.11Å; I96-I141 HydrophobicContact CB-CD1 4.32Å; I96-I141 HydrophobicContact CG1-CD1 3.84Å; I96-I141 HydrophobicContact CG2-CD1 4.19Å; I96-I187 HydrophobicContact CD1-CD1 3.74Å; I96-I187 HydrophobicContact CG1-CD1 4.14Å
97S91.9Very high80.3Confident9 Ų962.1 Ų62.16%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-127.2156.5-177-52.70000109.8S95 K109 L139 Q140S95-S97 PolarHBondContact OG-OG 2.73Å; S95-S97 VanDerWaalsContact OG-OG 3.13Å; S97-K109 CarbonylContact C-O 3.5Å; S97-K109 WeakPolarHBondContact CA-O 3.49Å; S97-K109 WeakPolarHBondContact CB-O 3.16Å; S97-L139 CarbonylContact O-C 3.58Å; S97-L139 WeakPolarHBondContact O-CA 3.32Å; S97-Q140 PolarHBondContact N-O 2.91Å; S97-Q140 PolarHBondContact O-N 2.7Å
98Y88.5Confident80.2Confident63 Ų6361 Ų6125%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-124.9153.9175.374.5-75.2000111.8L100 P108 K109 L111 F132 H138Y98-L100 HydrophobicContact CD2-CD2 4.43Å; Y98-L100 HydrophobicContact CE2-CD2 3.78Å; Y98-L100 HydrophobicContact CE2-CG 4.3Å; Y98-P108 WeakPolarHBondContact O-CA 3.4Å; Y98-K109 HydrophobicContact CD1-CB 4.1Å; Y98-K109 VanDerWaalsContact CD1-O 3.28Å; Y98-K109 WeakPolarHBondContact CD1-O 3.18Å; Y98-K109 HydrophobicContact CE1-CB 3.6Å; Y98-K109 PolarHBondContact N-O 3.26Å; Y98-K109 PolarHBondContact O-N 2.64Å; Y98-L111 HydrophobicContact CD1-CB 4.04Å; Y98-L111 HydrophobicContact CD1-CD1 4.41Å; Y98-L111 HydrophobicContact CE1-CD1 4.48Å; Y98-F132 HydrophobicContact CG-CZ 4.34Å; Y98-H138 CarbonylContact C-O 3.4Å; Y98-H138 VanDerWaalsContact CA-O 3.25Å; Y98-H138 WeakPolarHBondContact CA-O 3.37Å
99T83.1Confident80.2Confident37 Ų3763.9 Ų63.923%0.22732%0.32CS..  trans-111.9141.517353.60000110.3P108 H138T99-P108 HydrophobicContact CG2-CB 4.04Å; T99-P108 HydrophobicContact CG2-CG 3.94Å; T99-H138 PolarHBondContact N-O 3.28Å; T99-H138 PolarHBondContact OG1-O 3.43Å
100L75.9Confident80.2Confident79 Ų7964.8 Ų64.841%0.41432%0.324SS..  trans-79.4133.4177.5-68.6171.2000110Y98 G102 F103Y98-L100 HydrophobicContact CD2-CD2 4.43Å; Y98-L100 HydrophobicContact CE2-CD2 3.78Å; Y98-L100 HydrophobicContact CE2-CG 4.3Å; L100-G102 PolarHBondContact O-N 3.35Å; L100-F103 HydrophobicContact CB-CD2 4.29Å; L100-F103 PolarHBondContact O-N 2.88Å
101R67.8Low80.2Confident138 Ų13865.3 Ų65.352%0.52133%0.327SS..THydrogen-bonded Turntrans-55.2138.3176.8-82.5-151.5-162.9155.3-2111.1L6 F103 S135 H138L6-R101 HydrophobicContact CD1-CB 3.82Å; L6-R101 HydrophobicContact CD1-CG 3.54Å; R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 WeakPolarHBondContact O-CD2 3.35Å; R101-F103 PolarHBondContact O-N 2.63Å; R101-S135 PolarHBondContact NH2-OG 3.45Å; R101-S135 VanDerWaalsContact NH2-OG 3.11Å; R101-H138 WeakPolarHBondContact CD-NE2 3.48Å; R101-H138 WeakPolarHBondContact CG-NE2 3.11Å; R101-H138 PolarHBondContact NE-CE1 3.04Å; R101-H138 VanDerWaalsContact NE-CE1 3.34Å; R101-H138 PolarHBondContact NE-NE2 3.19Å
102G66.2Low80.6Confident82 Ų8263.2 Ų63.285%0.84532%0.316SS*.THydrogen-bonded Turntrans84.4-12176.500000114.9L100L100-G102 PolarHBondContact O-N 3.35Å
103F62.5Low80.8Confident120 Ų12062.6 Ų62.653%0.52631%0.313SS..  trans-116.369.3-176.6-62.5-79.8000111.5L100 R101 T105 V106L100-F103 HydrophobicContact CB-CD2 4.29Å; L100-F103 PolarHBondContact O-N 2.88Å; R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 WeakPolarHBondContact O-CD2 3.35Å; R101-F103 PolarHBondContact O-N 2.63Å; F103-T105 PolarHBondContact O-N 3.27Å; F103-T105 VanDerWaalsContact O-N 3.1Å; F103-V106 HydrophobicContact CB-CB 3.98Å; F103-V106 HydrophobicContact CB-CG2 3.58Å; F103-V106 HydrophobicContact CD1-CG2 4.36Å; F103-V106 HydrophobicContact CG-CG2 4.2Å; F103-V106 PolarHBondContact O-N 3.16Å; F103-V106 VanDerWaalsContact O-N 3.09Å
104R55.7Low81Confident256 Ų25662.5 Ų62.597%0.96631%0.313SS*.THydrogen-bonded Turntrans-59.5-20.1176.6-75.8-174175.3172.5-0.8113.6
105T58.3Low81Confident137 Ų13762.5 Ų62.584%0.8431%0.313SS*.THydrogen-bonded Turntrans-87.6-9179.4520000113.8F103F103-T105 PolarHBondContact O-N 3.27Å; F103-T105 VanDerWaalsContact O-N 3.1Å
106V67.4Low80.8Confident58 Ų5863 Ų6335%0.35232%0.315SS..SBendtrans-85.7129.5-178.3173.50000109.8F103F103-V106 HydrophobicContact CB-CB 3.98Å; F103-V106 HydrophobicContact CB-CG2 3.58Å; F103-V106 HydrophobicContact CD1-CG2 4.36Å; F103-V106 HydrophobicContact CG-CG2 4.2Å; F103-V106 PolarHBondContact O-N 3.16Å; F103-V106 VanDerWaalsContact O-N 3.09Å
107K75Confident80.5Confident138 Ų13863.5 Ų63.560%0.632%0.318SS*.PPolyproline II helixtrans-53.8133.2175.1-172.2178.2178.4-176.80109.7K109K107-K109 PolarHBondContact O-N 3.47Å
108P80.6Confident80.1Confident42 Ų4263.8 Ų63.827%0.27332%0.32SS..PPolyproline II helixtrans-53.6137175.9-2331.4000111Y98 T99Y98-P108 WeakPolarHBondContact O-CA 3.4Å; T99-P108 HydrophobicContact CG2-CB 4.04Å; T99-P108 HydrophobicContact CG2-CG 3.94Å
109K84.6Confident79.8Confident107 Ų10763.6 Ų63.647%0.46532%0.323SS..EExtended strand (participates in β ladder)trans-93.6127.9176.6-69.5-170.4176.9-171.50108.9S97 Y98 K107S97-K109 CarbonylContact C-O 3.5Å; S97-K109 WeakPolarHBondContact CA-O 3.49Å; S97-K109 WeakPolarHBondContact CB-O 3.16Å; Y98-K109 HydrophobicContact CD1-CB 4.1Å; Y98-K109 VanDerWaalsContact CD1-O 3.28Å; Y98-K109 WeakPolarHBondContact CD1-O 3.18Å; Y98-K109 HydrophobicContact CE1-CB 3.6Å; Y98-K109 PolarHBondContact N-O 3.26Å; Y98-K109 PolarHBondContact O-N 2.64Å; K107-K109 PolarHBondContact O-N 3.47Å
110H88.1Confident80.1Confident21 Ų2163.9 Ų63.910%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-59.2139.3172.3177.463.1000110.2S95 C112 V231 N246 G320S95-H110 PolarHBondContact OG-ND1 3.42Å; H110-C112 PolarHBondContact CE1-O 3.17Å; H110-V231 WeakPolarHBondContact CE1-CG2 3.46Å; H110-V231 WeakPolarHBondContact NE2-CG2 3.46Å; H110-N246 WeakPolarHBondContact CB-ND2 3.49Å; H110-G320 WeakPolarHBondContact NE2-CA 3.47Å; H110-G320 PolarHBondContact NE2-O 3.19Å
111L90.2Very high80.9Confident25 Ų2560.9 Ų60.913%0.13131%0.307CS..EExtended strand (participates in β ladder)trans-117.7-52.4-178.7179.164.1000111.7I96 Y98 C128 F132 L139 G320I96-L111 WeakPolarHBondContact O-CA 3.16Å; I96-L111 WeakPolarHBondContact O-CB 3.15Å; I96-L111 PolarHBondContact O-N 3.49Å; Y98-L111 HydrophobicContact CD1-CB 4.04Å; Y98-L111 HydrophobicContact CD1-CD1 4.41Å; Y98-L111 HydrophobicContact CE1-CD1 4.48Å; L111-C128 WeakPolarHBondContact CD2-O 3.36Å; L111-F132 HydrophobicContact CD2-CD2 4.34Å; L111-F132 HydrophobicContact CD2-CE2 3.49Å; L111-F132 VanDerWaalsContact CD2-CE2 3.49Å; L111-F132 HydrophobicContact CD2-CZ 3.99Å; L111-L139 HydrophobicContact CD2-CD2 4.13Å; L111-G320 WeakPolarHBondContact O-CA 3.37Å
112C93.4Very high82.2Confident1 Ų154.3 Ų54.31%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-154.8161.8-171.8-78.10000111I96 H110 C128 G320 S322I96-C112 WeakPolarHBondContact CA-O 3.49Å; I96-C112 HydrophobicContact CB-CB 4.31Å; I96-C112 WeakPolarHBondContact CB-O 3.3Å; I96-C112 HydrophobicContact CD1-CB 4.25Å; I96-C112 PolarHBondContact N-O 3.4Å; I96-C112 PolarHBondContact O-N 2.88Å; I96-C112 VanDerWaalsContact O-N 3.16Å; H110-C112 PolarHBondContact CE1-O 3.17Å; C112-C128 HydrophobicContact CB-CB 3.53Å; C112-C128 WeakPolarHBondContact CB-SG 3.4Å; C112-C128 WeakPolarHBondContact SG-CB 3.48Å; C112-C128 CovalentContact SG-SG 2.02Å; C112-C128 PolarHBondContact SG-SG 3.34Å; C112-G320 CarbonylContact C-O 3.59Å; C112-G320 VanDerWaalsContact C-O 3.3Å; C112-G320 VanDerWaalsContact CA-O 3.25Å; C112-G320 WeakPolarHBondContact CA-O 3.23Å; C112-S322 CarbonylContact C-O 3.26Å; C112-S322 WeakPolarHBondContact CA-O 3.47Å; C112-S322 WeakPolarHBondContact CB-O 3.13Å
113G94.5Very high83.6Confident0 Ų050.5 Ų50.50%024%0.242CC..EExtended strand (participates in β ladder)trans-82.6169.816400000112.9V94 I96 T124 G320 S322 G323V94-G113 CarbonylContact O-C 3.58Å; V94-G113 WeakPolarHBondContact O-CA 3.21Å; I96-G113 VanDerWaalsContact CD1-O 3.31Å; I96-G113 WeakPolarHBondContact CD1-O 3.22Å; G113-T124 PolarHBondContact O-OG1 3.01Å; G113-G320 PolarHBondContact N-O 3.03Å; G113-S322 PolarHBondContact N-O 2.93Å; G113-G323 CarbonylContact O-C 3.57Å; G113-G323 WeakPolarHBondContact O-CA 3.05Å
114G95.7Very high85.2Confident0 Ų044.8 Ų44.80%022%0.217CC..EExtended strand (participates in β ladder)trans-158.5167.5169.100000110.3V94 L123 G323V94-G114 WeakPolarHBondContact CG2-O 3.44Å; V94-G114 PolarHBondContact N-O 3.09Å; V94-G114 PolarHBondContact O-N 2.97Å; G114-L123 CarbonylContact C-O 3.53Å; G114-L123 WeakPolarHBondContact CA-O 3.25Å; G114-G323 WeakPolarHBondContact CA-O 3.41Å
115L93.3Very high87.1Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-125.9121.5-178.1179.276.1000110.2R92 I117 I122 L123 L211 P325 V343R92-L115 HydrophobicContact CB-CD1 3.6Å; L115-I117 HydrophobicContact CD2-CG2 4.32Å; L115-I117 PolarHBondContact O-N 3.24Å; L115-I122 CarbonylContact O-C 3.55Å; L115-I122 VanDerWaalsContact O-CA 3.29Å; L115-I122 WeakPolarHBondContact O-CA 3.5Å; L115-L123 PolarHBondContact N-O 2.8Å; L115-L123 PolarHBondContact O-N 3.29Å; L115-L211 HydrophobicContact CD2-CD1 3.82Å; L115-L211 HydrophobicContact CD2-CD2 3.7Å; L115-L211 HydrophobicContact CD2-CG 4.29Å; L115-L211 HydrophobicContact CG-CD1 4.4Å; L115-P325 HydrophobicContact CB-CB 4.44Å; L115-P325 HydrophobicContact CD1-CB 4.11Å; L115-P325 HydrophobicContact CD1-CG 4.07Å; L115-P325 HydrophobicContact CD2-CB 4.12Å; L115-P325 HydrophobicContact CG-CB 4.46Å; L115-V343 HydrophobicContact CD2-CG1 4.14Å; L115-V343 HydrophobicContact CD2-CG2 3.77Å
116L90.6Very high88.9Confident9 Ų926 Ų265%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-64.3115.3168.5-70.7161.4000109.6R92 V94 I122 K143 I193R92-L116 HydrophobicContact CB-CB 4.19Å; R92-L116 WeakPolarHBondContact CD-O 3.29Å; R92-L116 HydrophobicContact CG-CB 4.33Å; R92-L116 WeakPolarHBondContact O-CB 3.48Å; R92-L116 PolarHBondContact O-N 2.9Å; V94-L116 HydrophobicContact CG1-CD1 3.8Å; V94-L116 HydrophobicContact CG1-CD2 4.36Å; V94-L116 HydrophobicContact CG1-CG 3.8Å; L116-I122 HydrophobicContact CD2-CD1 4.19Å; L116-I122 HydrophobicContact CD2-CG1 3.51Å; L116-I122 HydrophobicContact CG-CG1 4.19Å; L116-K143 HydrophobicContact CD1-CD 4.3Å; L116-K143 HydrophobicContact CD1-CG 4.42Å; L116-I193 HydrophobicContact CD1-CD1 4.14Å; L116-I193 HydrophobicContact CD1-CG2 4.24Å; L116-I193 HydrophobicContact CD2-CD1 4.17Å; L116-I193 HydrophobicContact CD2-CG2 4.31Å
117I86.4Confident90.2Very high12 Ų1224.4 Ų24.46%0.06212%0.119CC..SBendtrans-97.3-13.7172.561169.9000111.7L115 W121 L123 L186 F210 L211 I372 T376L115-I117 HydrophobicContact CD2-CG2 4.32Å; L115-I117 PolarHBondContact O-N 3.24Å; I117-W121 HydrophobicContact CD1-CB 4.1Å; I117-W121 HydrophobicContact CG1-CB 3.73Å; I117-W121 WeakPolarHBondContact CG1-O 3.28Å; I117-W121 PolarHBondContact N-O 3.31Å; I117-L123 HydrophobicContact CG2-CB 3.74Å; I117-L123 HydrophobicContact CG2-CD2 4.34Å; I117-L186 HydrophobicContact CD1-CD2 3.86Å; I117-F210 WeakPolarHBondContact O-CE1 3.45Å; I117-L211 HydrophobicContact CG2-CD2 4.06Å; I117-I372 HydrophobicContact CD1-CG2 3.76Å; I117-T376 HydrophobicContact CD1-CG2 4.27Å
118S83.8Confident91.1Very high14 Ų1418 Ų1810%0.0989%0.091CC..SBendtrans-155.4-173.9168.775.20000109.7N120 W121S118-N120 PolarHBondContact O-N 3.06Å; S118-N120 PolarHBondContact OG-N 2.79Å; S118-N120 PolarHBondContact OG-OD1 3.47Å; S118-N120 VanDerWaalsContact OG-OD1 3.1Å; S118-W121 PolarHBondContact N-O 2.86Å; S118-W121 VanDerWaalsContact OG-CB 3.3Å; S118-W121 WeakPolarHBondContact OG-CB 3.41Å; S118-W121 PolarHBondContact OG-N 2.94Å
119N83.1Confident91.8Very high59 Ų5916 Ų1632%0.3168%0.078SC..SBendtrans-67.4-16.4179-65.6-23.3000114S192 I193 L194N119-S192 WeakPolarHBondContact O-CA 3.48Å; N119-I193 WeakPolarHBondContact O-CG2 3.45Å; N119-I193 PolarHBondContact O-N 3.33Å; N119-L194 HydrophobicContact CB-CD1 4.45Å; N119-L194 HydrophobicContact CB-CG 4.28Å; N119-L194 VanDerWaalsContact CG-CD1 3.49Å; N119-L194 VanDerWaalsContact ND2-CD1 3.32Å; N119-L194 WeakPolarHBondContact ND2-CD1 3.43Å; N119-L194 WeakPolarHBondContact OD1-CD1 3.13Å
120N89.2Confident92.3Very high44 Ų4411.8 Ų11.824%0.2356%0.063CC..SBendtrans-136.41.9-177.365.5-32.9000113.9S118 Q188 L189S118-N120 PolarHBondContact O-N 3.06Å; S118-N120 PolarHBondContact OG-N 2.79Å; S118-N120 PolarHBondContact OG-OD1 3.47Å; S118-N120 VanDerWaalsContact OG-OD1 3.1Å; N120-Q188 WeakPolarHBondContact O-CA 3.43Å; N120-L189 HydrophobicContact CB-CB 4.44Å; N120-L189 PolarHBondContact O-N 3.35Å
121W92.7Very high92.5Very high16 Ų1614.2 Ų14.26%0.0618%0.081CC..EExtended strand (participates in β ladder)trans-120.6134178.7-69.6100.6000111.8I117 S118 I169 L186 I187 Q188 I375 T376 Y378I117-W121 HydrophobicContact CD1-CB 4.1Å; I117-W121 HydrophobicContact CG1-CB 3.73Å; I117-W121 WeakPolarHBondContact CG1-O 3.28Å; I117-W121 PolarHBondContact N-O 3.31Å; S118-W121 PolarHBondContact N-O 2.86Å; S118-W121 VanDerWaalsContact OG-CB 3.3Å; S118-W121 WeakPolarHBondContact OG-CB 3.41Å; S118-W121 PolarHBondContact OG-N 2.94Å; W121-I169 HydrophobicContact CH2-CD1 3.76Å; W121-I169 HydrophobicContact CZ3-CD1 3.8Å; W121-L186 HydrophobicContact CE3-CB 4.2Å; W121-L186 HydrophobicContact CZ3-CB 4.15Å; W121-I187 WeakPolarHBondContact CA-O 3.21Å; W121-Q188 HydrophobicContact CD2-CB 4.42Å; W121-Q188 HydrophobicContact CD2-CG 4.3Å; W121-Q188 HydrophobicContact CE3-CB 3.91Å; W121-Q188 HydrophobicContact CE3-CG 4.28Å; W121-Q188 HydrophobicContact CH2-CB 3.69Å; W121-Q188 HydrophobicContact CH2-CG 3.78Å; W121-Q188 HydrophobicContact CZ2-CB 4.2Å; W121-Q188 HydrophobicContact CZ2-CG 3.78Å; W121-Q188 HydrophobicContact CZ3-CB 3.53Å; W121-Q188 HydrophobicContact CZ3-CG 4.04Å; W121-I375 HydrophobicContact CH2-CG2 3.79Å; W121-I375 HydrophobicContact CZ3-CG2 4.05Å; W121-T376 HydrophobicContact CB-CG2 4.32Å; W121-T376 HydrophobicContact CD2-CG2 3.51Å; W121-T376 HydrophobicContact CE3-CG2 3.66Å; W121-T376 HydrophobicContact CG-CG2 3.84Å; W121-T376 HydrophobicContact CH2-CG2 4.43Å; W121-T376 HydrophobicContact CZ2-CG2 4.33Å; W121-T376 HydrophobicContact CZ3-CG2 4.11Å; W121-Y378 AromaticContact CD1-CE2 3.83Å
122I94.4Very high92.7Very high0 Ų014.2 Ų14.20%08%0.079CC..EExtended strand (participates in β ladder)trans-121.8133.7177.5-62.4150.5000108.7V94 L115 L116 I141 L186 I187 L189V94-I122 HydrophobicContact CG2-CD1 4.1Å; V94-I122 HydrophobicContact CG2-CG1 4.09Å; V94-I122 HydrophobicContact CG2-CG2 3.6Å; L115-I122 CarbonylContact O-C 3.55Å; L115-I122 VanDerWaalsContact O-CA 3.29Å; L115-I122 WeakPolarHBondContact O-CA 3.5Å; L116-I122 HydrophobicContact CD2-CD1 4.19Å; L116-I122 HydrophobicContact CD2-CG1 3.51Å; L116-I122 HydrophobicContact CG-CG1 4.19Å; I122-I141 HydrophobicContact CD1-CB 4.38Å; I122-I141 HydrophobicContact CD1-CD1 4.48Å; I122-I141 HydrophobicContact CD1-CG1 4.18Å; I122-I141 HydrophobicContact CD1-CG2 3.45Å; I122-I141 VanDerWaalsContact CD1-CG2 3.45Å; I122-L186 CarbonylContact O-C 3.46Å; I122-L186 VanDerWaalsContact O-CA 3.31Å; I122-L186 WeakPolarHBondContact O-CA 3.49Å; I122-I187 HydrophobicContact CB-CB 4.13Å; I122-I187 HydrophobicContact CD1-CB 4.45Å; I122-I187 HydrophobicContact CD1-CG2 4.5Å; I122-I187 PolarHBondContact N-O 3.31Å; I122-I187 PolarHBondContact O-N 2.93Å; I122-L189 HydrophobicContact CD1-CD1 4.14Å; I122-L189 HydrophobicContact CD1-CD2 3.77Å; I122-L189 HydrophobicContact CD1-CG 4.01Å
123L95.2Very high92.6Very high1 Ų119 Ų191%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-93.4136.2169.4-173.166.6000109.8G114 L115 I117 I184 L186 I346 I365 I372G114-L123 CarbonylContact C-O 3.53Å; G114-L123 WeakPolarHBondContact CA-O 3.25Å; L115-L123 PolarHBondContact N-O 2.8Å; L115-L123 PolarHBondContact O-N 3.29Å; I117-L123 HydrophobicContact CG2-CB 3.74Å; I117-L123 HydrophobicContact CG2-CD2 4.34Å; L123-I184 HydrophobicContact CD1-CD1 3.93Å; L123-I184 HydrophobicContact CD1-CG1 3.73Å; L123-L186 HydrophobicContact CD1-CD2 3.86Å; L123-I346 HydrophobicContact CD2-CG2 4.16Å; L123-I346 HydrophobicContact CG-CG2 4.18Å; L123-I365 HydrophobicContact CD2-CD1 3.73Å; L123-I365 HydrophobicContact CD2-CG1 4.33Å; L123-I372 HydrophobicContact CD1-CD1 4.14Å
124T96.9Very high92.4Very high0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-155.4179.8177.8-171.60000110.2I96 G113 I129 G185 I187 G323 I346I96-T124 HydrophobicContact CD1-CG2 3.86Å; I96-T124 VanDerWaalsContact CD1-OG1 3.23Å; I96-T124 WeakPolarHBondContact CD1-OG1 3.07Å; G113-T124 PolarHBondContact O-OG1 3.01Å; T124-I129 HydrophobicContact CG2-CD1 4.25Å; T124-I129 HydrophobicContact CG2-CG1 4.39Å; T124-I129 HydrophobicContact CG2-CG2 4.02Å; T124-G185 PolarHBondContact N-O 3.04Å; T124-G185 PolarHBondContact O-N 2.81Å; T124-G185 VanDerWaalsContact O-O 3.13Å; T124-I187 HydrophobicContact CG2-CD1 4.11Å; T124-I187 HydrophobicContact CG2-CG1 4.13Å; T124-G323 WeakPolarHBondContact OG1-CA 3.47Å; T124-I346 VanDerWaalsContact O-CD1 3.23Å; T124-I346 WeakPolarHBondContact O-CD1 3.49Å
125A96Very high92.2Very high0 Ų026 Ų260%015%0.151CC..  trans-75.8141.617200000110.5H127 C128A125-H127 VanDerWaalsContact C-N 3.31Å; A125-H127 PolarHBondContact O-N 2.94Å; A125-C128 WeakPolarHBondContact O-CB 3.42Å; A125-C128 PolarHBondContact O-N 2.55Å
126A96.4Very high92.1Very high0 Ų027.7 Ų27.70%016%0.161CC..Hα-helixtrans-63.6-38.7-179.300000111.6C128 I129 S130 L170 F174 D183A126-C128 PolarHBondContact O-N 2.75Å; A126-C128 VanDerWaalsContact O-N 3.14Å; A126-I129 WeakPolarHBondContact O-CG1 3.39Å; A126-I129 PolarHBondContact O-N 2.63Å; A126-S130 WeakPolarHBondContact O-CB 3.28Å; A126-S130 PolarHBondContact O-N 3.18Å; A126-L170 HydrophobicContact CB-CD2 4.12Å; A126-F174 HydrophobicContact CB-CB 4.12Å; A126-F174 HydrophobicContact CB-CD1 3.63Å; A126-F174 HydrophobicContact CB-CD2 3.42Å; A126-F174 VanDerWaalsContact CB-CD2 3.42Å; A126-F174 HydrophobicContact CB-CE1 3.84Å; A126-F174 HydrophobicContact CB-CE2 3.63Å; A126-F174 HydrophobicContact CB-CG 3.4Å; A126-F174 VanDerWaalsContact CB-CG 3.4Å; A126-F174 HydrophobicContact CB-CZ 3.82Å; A126-D183 PolarHBondContact N-OD1 2.94Å
127H93.8Very high92Very high24 Ų2433.5 Ų33.511%0.11119%0.192CC..Hα-helixtrans-63.2-21179.279.7-96.6000113.5A125 I129 F174 D183 S322 S348A125-H127 VanDerWaalsContact C-N 3.31Å; A125-H127 PolarHBondContact O-N 2.94Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-F174 HydrophobicContact CB-CE2 4.39Å; H127-F174 HydrophobicContact CB-CZ 3.83Å; H127-D183 IonicContact CE1-OD2 3.56Å; H127-D183 PolarHBondContact CE1-OD2 3.31Å; H127-D183 IonicContact CG-OD1 3.52Å; H127-D183 IonicContact CG-OD2 3.21Å; H127-D183 PolarHBondContact N-OD1 2.88Å; H127-D183 VanDerWaalsContact ND1-CG 3.32Å; H127-D183 IonicContact ND1-OD1 2.7Å; H127-D183 PolarHBondContact ND1-OD1 3.02Å; H127-D183 VanDerWaalsContact ND1-OD1 3.15Å; H127-D183 IonicContact ND1-OD2 2.88Å; H127-D183 PolarHBondContact ND1-OD2 2.96Å; H127-S322 VanDerWaalsContact CE1-CB 3.49Å; H127-S322 WeakPolarHBondContact CE1-CB 3.15Å; H127-S322 PolarHBondContact CE1-OG 2.79Å; H127-S322 WeakPolarHBondContact NE2-CB 3.29Å; H127-S322 PolarHBondContact NE2-OG 3.31Å; H127-S348 PolarHBondContact CE1-O 2.75Å
128C94.4Very high92.1Very high2 Ų234.2 Ų34.21%0.01420%0.195CC..Hα-helixtrans-71.9-27.5175.9-67.70000112.6L111 C112 A125 A126L111-C128 WeakPolarHBondContact CD2-O 3.36Å; C112-C128 HydrophobicContact CB-CB 3.53Å; C112-C128 WeakPolarHBondContact CB-SG 3.4Å; C112-C128 WeakPolarHBondContact SG-CB 3.48Å; C112-C128 CovalentContact SG-SG 2.02Å; C112-C128 PolarHBondContact SG-SG 3.34Å; A125-C128 WeakPolarHBondContact O-CB 3.42Å; A125-C128 PolarHBondContact O-N 2.55Å; A126-C128 PolarHBondContact O-N 2.75Å; A126-C128 VanDerWaalsContact O-N 3.14Å
129I95.4Very high92.5Very high0 Ų033.9 Ų33.90%019%0.192CC..Hα-helixtrans-119.6-18.7-171.856.3163.3000113.5I96 T124 A126 H127 P131 F132 L139 L168 L170 I187I96-I129 HydrophobicContact CD1-CG2 4.49Å; T124-I129 HydrophobicContact CG2-CD1 4.25Å; T124-I129 HydrophobicContact CG2-CG1 4.39Å; T124-I129 HydrophobicContact CG2-CG2 4.02Å; A126-I129 WeakPolarHBondContact O-CG1 3.39Å; A126-I129 PolarHBondContact O-N 2.63Å; H127-I129 VanDerWaalsContact C-N 3.32Å; I129-P131 VanDerWaalsContact C-N 3.34Å; I129-F132 PolarHBondContact O-N 3.29Å; I129-L139 HydrophobicContact CB-CD1 4.5Å; I129-L139 HydrophobicContact CG2-CD1 4.06Å; I129-L168 HydrophobicContact CB-CD1 4.32Å; I129-L168 HydrophobicContact CB-CD2 4.17Å; I129-L168 HydrophobicContact CD1-CB 4.34Å; I129-L168 HydrophobicContact CD1-CD2 4.36Å; I129-L168 HydrophobicContact CG2-CD2 4.13Å; I129-L170 HydrophobicContact CD1-CD2 3.76Å; I129-L170 HydrophobicContact CG1-CD2 3.58Å; I129-I187 HydrophobicContact CD1-CG1 4.31Å; I129-I187 HydrophobicContact CG2-CD1 3.73Å; I129-I187 HydrophobicContact CG2-CG1 4.07Å
130S94.9Very high92.8Very high20 Ų2032.9 Ų32.914%0.1419%0.186CC..G310 helixtrans-54.8-38.6179.875.30000114A126 F132 Q176A126-S130 WeakPolarHBondContact O-CB 3.28Å; A126-S130 PolarHBondContact O-N 3.18Å; S130-F132 PolarHBondContact O-N 3.01Å; S130-F132 VanDerWaalsContact O-N 3.1Å; S130-Q176 PolarHBondContact OG-OE1 2.83Å
131P92.4Very high93Very high72 Ų7230.8 Ų30.847%0.46818%0.175SC..G310 helixtrans-70.4-10.6179.9-18.335.2000113.3I129I129-P131 VanDerWaalsContact C-N 3.34Å
132F93.2Very high92.9Very high24 Ų2430.3 Ų30.311%0.10517%0.174CC..G310 helixtrans-1124.5-170.2-59.1-86.7000113.9Y98 L111 I129 S130 S134 S135 V136 H138 L139 L168Y98-F132 HydrophobicContact CG-CZ 4.34Å; L111-F132 HydrophobicContact CD2-CD2 4.34Å; L111-F132 HydrophobicContact CD2-CE2 3.49Å; L111-F132 VanDerWaalsContact CD2-CE2 3.49Å; L111-F132 HydrophobicContact CD2-CZ 3.99Å; I129-F132 PolarHBondContact O-N 3.29Å; S130-F132 PolarHBondContact O-N 3.01Å; S130-F132 VanDerWaalsContact O-N 3.1Å; F132-S134 PolarHBondContact O-N 3.08Å; F132-S134 VanDerWaalsContact O-N 3.15Å; F132-S135 CarbonylContact O-C 3.54Å; F132-S135 WeakPolarHBondContact O-CA 3.46Å; F132-S135 PolarHBondContact O-N 3.27Å; F132-V136 PolarHBondContact O-N 3.2Å; F132-H138 HydrophobicContact CD1-CB 4.29Å; F132-L139 HydrophobicContact CB-CD1 3.58Å; F132-L139 HydrophobicContact CB-CD2 4.39Å; F132-L139 HydrophobicContact CB-CG 3.71Å; F132-L139 HydrophobicContact CD1-CD1 4.49Å; F132-L139 HydrophobicContact CD1-CD2 3.76Å; F132-L139 HydrophobicContact CD1-CG 3.79Å; F132-L139 HydrophobicContact CD2-CD1 3.92Å; F132-L139 HydrophobicContact CD2-CD2 3.73Å; F132-L139 HydrophobicContact CD2-CG 3.99Å; F132-L139 HydrophobicContact CE1-CD2 3.87Å; F132-L139 HydrophobicContact CE1-CG 4.41Å; F132-L139 HydrophobicContact CE2-CD2 3.87Å; F132-L139 HydrophobicContact CG-CD1 3.76Å; F132-L139 HydrophobicContact CG-CD2 3.68Å; F132-L139 HydrophobicContact CG-CG 3.55Å; F132-L139 HydrophobicContact CZ-CD2 3.92Å; F132-L168 HydrophobicContact CB-CD1 3.99Å
133Q91.7Very high92.7Very high102 Ų10232 Ų3248%0.47718%0.181SC..THydrogen-bonded Turntrans-54.7-36.4-179.9-70.4-171.7-68.400113.2L170Q133-L170 VanDerWaalsContact CD-CD1 3.42Å; Q133-L170 HydrophobicContact CG-CD1 4.21Å; Q133-L170 HydrophobicContact CG-CG 4.42Å
134S90.9Very high92.5Very high123 Ų12332.6 Ų32.686%0.8618%0.184SC*.THydrogen-bonded Turntrans-92.38.4176.5-49.10000113.8F132F132-S134 PolarHBondContact O-N 3.08Å; F132-S134 VanDerWaalsContact O-N 3.15Å
135S90.9Very high92.1Very high24 Ų2435.1 Ų35.117%0.16820%0.196CC..  trans-152.339.4-170.3-80.90000111.5R101 F132 N137 H138R101-S135 PolarHBondContact NH2-OG 3.45Å; R101-S135 VanDerWaalsContact NH2-OG 3.11Å; F132-S135 CarbonylContact O-C 3.54Å; F132-S135 WeakPolarHBondContact O-CA 3.46Å; F132-S135 PolarHBondContact O-N 3.27Å; S135-N137 PolarHBondContact O-N 3.07Å; S135-N137 VanDerWaalsContact O-N 3.09Å; S135-N137 PolarHBondContact O-OD1 3.18Å; S135-H138 WeakPolarHBondContact CB-ND1 3.39Å; S135-H138 WeakPolarHBondContact O-CB 3.15Å; S135-H138 PolarHBondContact O-N 3.12Å; S135-H138 PolarHBondContact O-ND1 2.83Å; S135-H138 VanDerWaalsContact O-ND1 3.08Å
136V91.3Very high91.8Very high36 Ų3640.6 Ų40.622%0.21822%0.221CC..G310 helixtrans-51.9-36.5-175.4179.20000112.6F132 H138 L139 I165 L168F132-V136 PolarHBondContact O-N 3.2Å; V136-H138 PolarHBondContact O-N 3.34Å; V136-H138 VanDerWaalsContact O-N 3.14Å; V136-L139 PolarHBondContact O-N 2.68Å; V136-I165 HydrophobicContact CG1-CB 3.51Å; V136-I165 HydrophobicContact CG1-CD1 4.41Å; V136-I165 HydrophobicContact CG1-CG2 3.37Å; V136-L168 HydrophobicContact CB-CD1 4.48Å; V136-L168 HydrophobicContact CG1-CD1 4.49Å; V136-L168 HydrophobicContact CG1-CG 4.32Å; V136-L168 HydrophobicContact CG2-CD1 3.87Å; V136-L168 HydrophobicContact CG2-CG 4.05Å
137N88.6Confident91.4Very high130 Ų13043.5 Ų43.570%0.69524%0.235SC*.G310 helixtrans-65.4-10.9177.563.9-17.1000115.4S135S135-N137 PolarHBondContact O-N 3.07Å; S135-N137 VanDerWaalsContact O-N 3.09Å; S135-N137 PolarHBondContact O-OD1 3.18Å
138H88.7Confident91.1Very high27 Ų2748 Ų4813%0.12526%0.257CS..G310 helixtrans-84.5-20.8173.3-62.873.6000111.9Y98 T99 R101 F132 S135 V136Y98-H138 CarbonylContact C-O 3.4Å; Y98-H138 VanDerWaalsContact CA-O 3.25Å; Y98-H138 WeakPolarHBondContact CA-O 3.37Å; T99-H138 PolarHBondContact N-O 3.28Å; T99-H138 PolarHBondContact OG1-O 3.43Å; R101-H138 WeakPolarHBondContact CD-NE2 3.48Å; R101-H138 WeakPolarHBondContact CG-NE2 3.11Å; R101-H138 PolarHBondContact NE-CE1 3.04Å; R101-H138 VanDerWaalsContact NE-CE1 3.34Å; R101-H138 PolarHBondContact NE-NE2 3.19Å; F132-H138 HydrophobicContact CD1-CB 4.29Å; S135-H138 WeakPolarHBondContact CB-ND1 3.39Å; S135-H138 WeakPolarHBondContact O-CB 3.15Å; S135-H138 PolarHBondContact O-N 3.12Å; S135-H138 PolarHBondContact O-ND1 2.83Å; S135-H138 VanDerWaalsContact O-ND1 3.08Å; V136-H138 PolarHBondContact O-N 3.34Å; V136-H138 VanDerWaalsContact O-N 3.14Å
139L91.7Very high90.5Very high7 Ų749.6 Ų49.64%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-86.1150.4174.6-70.8-173000111.2I96 S97 L111 I129 F132 V136 I165 L168I96-L139 HydrophobicContact CG2-CD1 4.38Å; I96-L139 HydrophobicContact CG2-CD2 4.11Å; S97-L139 CarbonylContact O-C 3.58Å; S97-L139 WeakPolarHBondContact O-CA 3.32Å; L111-L139 HydrophobicContact CD2-CD2 4.13Å; I129-L139 HydrophobicContact CB-CD1 4.5Å; I129-L139 HydrophobicContact CG2-CD1 4.06Å; F132-L139 HydrophobicContact CB-CD1 3.58Å; F132-L139 HydrophobicContact CB-CD2 4.39Å; F132-L139 HydrophobicContact CB-CG 3.71Å; F132-L139 HydrophobicContact CD1-CD1 4.49Å; F132-L139 HydrophobicContact CD1-CD2 3.76Å; F132-L139 HydrophobicContact CD1-CG 3.79Å; F132-L139 HydrophobicContact CD2-CD1 3.92Å; F132-L139 HydrophobicContact CD2-CD2 3.73Å; F132-L139 HydrophobicContact CD2-CG 3.99Å; F132-L139 HydrophobicContact CE1-CD2 3.87Å; F132-L139 HydrophobicContact CE1-CG 4.41Å; F132-L139 HydrophobicContact CE2-CD2 3.87Å; F132-L139 HydrophobicContact CG-CD1 3.76Å; F132-L139 HydrophobicContact CG-CD2 3.68Å; F132-L139 HydrophobicContact CG-CG 3.55Å; F132-L139 HydrophobicContact CZ-CD2 3.92Å; V136-L139 PolarHBondContact O-N 2.68Å; L139-I165 HydrophobicContact CB-CD1 3.52Å; L139-I165 HydrophobicContact CD1-CD1 4.47Å; L139-L168 HydrophobicContact CD1-CD1 3.88Å; L139-L168 HydrophobicContact CD1-CD2 4.3Å
140Q90.4Very high89.8Confident39 Ų3959.3 Ų59.318%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-141.2135.5-177.2-75.4-173.8-1.100108.9S97 P162S97-Q140 PolarHBondContact N-O 2.91Å; S97-Q140 PolarHBondContact O-N 2.7Å; Q140-P162 HydrophobicContact CB-CB 3.53Å; Q140-P162 HydrophobicContact CB-CG 4.31Å; Q140-P162 HydrophobicContact CG-CB 3.66Å; Q140-P162 HydrophobicContact CG-CG 3.91Å
141I92.8Very high89.1Confident0 Ų062 Ų620%033%0.326CS..EExtended strand (participates in β ladder)trans-112126.9178.6-52.1-57.1000109.7V94 S95 I96 I122 P162 R163 I165 I187 L189V94-I141 HydrophobicContact CB-CG2 3.87Å; V94-I141 HydrophobicContact CG1-CG2 4.06Å; V94-I141 HydrophobicContact CG2-CG2 4.12Å; S95-I141 WeakPolarHBondContact O-CA 3.01Å; I96-I141 HydrophobicContact CB-CD1 4.32Å; I96-I141 HydrophobicContact CG1-CD1 3.84Å; I96-I141 HydrophobicContact CG2-CD1 4.19Å; I122-I141 HydrophobicContact CD1-CB 4.38Å; I122-I141 HydrophobicContact CD1-CD1 4.48Å; I122-I141 HydrophobicContact CD1-CG1 4.18Å; I122-I141 HydrophobicContact CD1-CG2 3.45Å; I122-I141 VanDerWaalsContact CD1-CG2 3.45Å; I141-P162 CarbonylContact O-C 3.54Å; I141-P162 WeakPolarHBondContact O-CA 3.42Å; I141-R163 HydrophobicContact CB-CB 4.39Å; I141-R163 PolarHBondContact O-N 3.18Å; I141-I165 HydrophobicContact CD1-CD1 4.02Å; I141-I165 HydrophobicContact CD1-CG1 4.43Å; I141-I165 HydrophobicContact CG1-CD1 3.89Å; I141-I165 HydrophobicContact CG1-CG1 3.79Å; I141-I187 HydrophobicContact CD1-CD1 3.65Å; I141-I187 HydrophobicContact CD1-CG2 4.35Å; I141-I187 HydrophobicContact CG1-CG2 4.37Å; I141-L189 HydrophobicContact CB-CD2 4.19Å; I141-L189 HydrophobicContact CG1-CD2 3.97Å; I141-L189 HydrophobicContact CG2-CD2 4.34Å
142S91.1Very high88.5Confident6 Ų662.8 Ų62.84%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-131.4129.7-178.8-65.60000112V94 S95 K159V94-S142 CarbonylContact C-O 3.6Å; V94-S142 WeakPolarHBondContact CA-O 3.4Å; S95-S142 PolarHBondContact N-O 3.24Å; S95-S142 PolarHBondContact O-N 3.43Å; S142-K159 WeakPolarHBondContact CB-O 3.5Å; S142-K159 PolarHBondContact OG-O 3.43Å
143K90.9Very high88Confident35 Ų3563.6 Ų63.615%0.15234%0.343CS..EExtended strand (participates in β ladder)trans-69162.8163.9-74.2-160.367.8172.80110.7D91 V94 L116 K159 I193D91-K143 WeakPolarHBondContact O-CE 3.43Å; D91-K143 PolarHBondContact O-NZ 3.04Å; V94-K143 HydrophobicContact CG1-CG 4.26Å; L116-K143 HydrophobicContact CD1-CD 4.3Å; L116-K143 HydrophobicContact CD1-CG 4.42Å; K143-K159 WeakPolarHBondContact O-CG 3.36Å; K143-K159 PolarHBondContact O-N 2.96Å; K143-I193 HydrophobicContact CD-CD1 4.15Å; K143-I193 HydrophobicContact CD-CG1 4.09Å; K143-I193 HydrophobicContact CG-CD1 3.75Å; K143-I193 HydrophobicContact CG-CG1 4.18Å
144L90.4Very high87.8Confident14 Ų1461.1 Ų61.17%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-73.7155.6170.6-56.3177.2000112L90 F93 F156 I157 P158 V231 F248L90-L144 HydrophobicContact CD2-CD1 3.96Å; F93-L144 HydrophobicContact CB-CD1 4.12Å; F93-L144 HydrophobicContact CD1-CD1 3.82Å; F93-L144 HydrophobicContact CD1-CD2 3.96Å; F93-L144 HydrophobicContact CD1-CG 3.93Å; F93-L144 HydrophobicContact CE1-CD2 4.32Å; F93-L144 HydrophobicContact CG-CD1 4.29Å; L144-F156 HydrophobicContact CB-CB 4.44Å; L144-I157 CarbonylContact C-O 3.59Å; L144-I157 VanDerWaalsContact CA-O 3.27Å; L144-I157 WeakPolarHBondContact CA-O 3.36Å; L144-P158 HydrophobicContact CD2-CG 4.35Å; L144-V231 HydrophobicContact CD2-CG1 3.68Å; L144-F248 HydrophobicContact CD1-CB 3.76Å; L144-F248 HydrophobicContact CD1-CD1 3.66Å; L144-F248 HydrophobicContact CD1-CD2 3.57Å; L144-F248 HydrophobicContact CD1-CE1 4.14Å; L144-F248 HydrophobicContact CD1-CE2 4.04Å; L144-F248 HydrophobicContact CD1-CG 3.37Å; L144-F248 HydrophobicContact CD1-CZ 4.31Å
145H88.3Confident87.7Confident53 Ų5355.3 Ų55.325%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-146.5159.4167.272.299.3000111.2F156 I157 K159H145-F156 CarbonylContact O-C 3.54Å; H145-F156 VanDerWaalsContact O-CA 3.3Å; H145-F156 WeakPolarHBondContact O-CA 3.48Å; H145-I157 PolarHBondContact CD2-O 3.41Å; H145-I157 PolarHBondContact N-O 2.99Å; H145-I157 WeakPolarHBondContact NE2-CG1 3.03Å; H145-I157 PolarHBondContact O-N 3.35Å; H145-K159 HydrophobicContact CB-CD 4.24Å; H145-K159 VanDerWaalsContact CB-CE 3.49Å; H145-K159 HydrophobicContact CB-CG 3.68Å; H145-K159 VanDerWaalsContact CD2-CA 3.43Å; H145-K159 WeakPolarHBondContact CD2-CA 3.16Å; H145-K159 WeakPolarHBondContact CD2-CG 3.37Å; H145-K159 PolarHBondContact CD2-N 3.46Å
146Q90.6Very high87.6Confident114 Ų11454.8 Ų54.853%0.53329%0.286SS..EExtended strand (participates in β ladder)trans-65.9133172.2-66.9-179.61.500110.6V29 I154 H155 F156V29-Q146 HydrophobicContact CG2-CG 4.41Å; Q146-I154 HydrophobicContact CB-CG2 3.83Å; Q146-I154 HydrophobicContact CG-CG2 4.12Å; Q146-H155 CarbonylContact C-O 3.47Å; Q146-H155 VanDerWaalsContact CA-O 3.3Å; Q146-H155 WeakPolarHBondContact CA-O 3.06Å; Q146-F156 HydrophobicContact CG-CD1 4.13Å; Q146-F156 HydrophobicContact CG-CE1 3.59Å; Q146-F156 HydrophobicContact CG-CZ 4.09Å
147H87.9Confident87.5Confident62 Ų6254.1 Ų54.129%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-138121.5177.3171.873.7000109.4I154 H155 I157H147-I154 CarbonylContact O-C 3.58Å; H147-I154 WeakPolarHBondContact O-CA 3.38Å; H147-H155 PolarHBondContact N-O 3.05Å; H147-H155 PolarHBondContact O-N 3.12Å; H147-I157 HydrophobicContact CB-CD1 3.49Å; H147-I157 VanDerWaalsContact CB-CD1 3.49Å; H147-I157 HydrophobicContact CB-CG1 3.57Å; H147-I157 HydrophobicContact CB-CG2 4.31Å; H147-I157 VanDerWaalsContact CG-CD1 3.43Å
148M87.4Confident87.6Confident117 Ų11748.9 Ų48.958%0.57625%0.254SS*.EExtended strand (participates in β ladder)trans-83.2122.7173.5-169.6174.169.300109.7S153 I154M148-S153 CarbonylContact C-O 3.39Å; M148-S153 WeakPolarHBondContact CA-O 3.32Å; M148-I154 HydrophobicContact CB-CG1 4.25Å; M148-I154 HydrophobicContact CG-CG1 4.28Å
149D80.6Confident87.4Confident36 Ų3652.1 Ų52.119%0.19327%0.268CS..  trans-82.3-177.817783.4-7.9000112S151 S152 S153 H155D149-S151 VanDerWaalsContact CG-OG 3.26Å; D149-S151 PolarHBondContact O-N 2.63Å; D149-S151 VanDerWaalsContact OD1-CA 3.32Å; D149-S151 WeakPolarHBondContact OD1-CA 3.09Å; D149-S151 WeakPolarHBondContact OD1-CB 3.41Å; D149-S151 PolarHBondContact OD1-N 3.2Å; D149-S151 PolarHBondContact OD1-OG 3.35Å; D149-S151 PolarHBondContact OD2-OG 3.2Å; D149-S151 VanDerWaalsContact OD2-OG 3.13Å; D149-S152 PolarHBondContact O-N 3.14Å; D149-S152 PolarHBondContact OD1-N 3.1Å; D149-S153 PolarHBondContact N-O 2.87Å; D149-S153 WeakPolarHBondContact OD1-CB 3.3Å; D149-S153 PolarHBondContact OD1-N 2.83Å; D149-H155 IonicContact OD2-CD2 3.68Å; D149-H155 IonicContact OD2-NE2 2.64Å
150K81.5Confident86.5Confident205 Ų20557.7 Ų57.789%0.89130%0.298SS*.THydrogen-bonded Turntrans-64.7-20.9-179.9-65.1-179.2-179.3175.40113.7
151S79.3Confident85.7Confident75 Ų7562.2 Ų62.252%0.52432%0.322SS..THydrogen-bonded Turntrans-86.26.1176.775.70000112.7D149 S153D149-S151 VanDerWaalsContact CG-OG 3.26Å; D149-S151 PolarHBondContact O-N 2.63Å; D149-S151 VanDerWaalsContact OD1-CA 3.32Å; D149-S151 WeakPolarHBondContact OD1-CA 3.09Å; D149-S151 WeakPolarHBondContact OD1-CB 3.41Å; D149-S151 PolarHBondContact OD1-N 3.2Å; D149-S151 PolarHBondContact OD1-OG 3.35Å; D149-S151 PolarHBondContact OD2-OG 3.2Å; D149-S151 VanDerWaalsContact OD2-OG 3.13Å; S151-S153 PolarHBondContact O-N 2.04Å; S151-S153 WeakPolarHBondContact OG-CB 3.07Å; S151-S153 PolarHBondContact OG-OG 2.74Å
152S80.7Confident84.9Confident89 Ų8964.4 Ų64.462%0.62234%0.336SS*.SBendtrans63.219.4-171-48.70000113.5D149D149-S152 PolarHBondContact O-N 3.14Å; D149-S152 PolarHBondContact OD1-N 3.1Å
153S81.8Confident84.4Confident42 Ų4266.4 Ų66.429%0.29434%0.342SS..  trans-87129.3173.8-61.40000109.2M148 D149 S151 H155M148-S153 CarbonylContact C-O 3.39Å; M148-S153 WeakPolarHBondContact CA-O 3.32Å; D149-S153 PolarHBondContact N-O 2.87Å; D149-S153 WeakPolarHBondContact OD1-CB 3.3Å; D149-S153 PolarHBondContact OD1-N 2.83Å; S151-S153 PolarHBondContact O-N 2.04Å; S151-S153 WeakPolarHBondContact OG-CB 3.07Å; S151-S153 PolarHBondContact OG-OG 2.74Å; S153-H155 VanDerWaalsContact CB-NE2 3.31Å; S153-H155 WeakPolarHBondContact CB-NE2 3.38Å; S153-H155 PolarHBondContact O-CD2 2.98Å; S153-H155 VanDerWaalsContact O-CD2 3.28Å
154I87.9Confident84.1Confident49 Ų4968 Ų6825%0.25136%0.358SS..EExtended strand (participates in β ladder)trans-90.8118.2178.8-60.3170.6000108.4I28 V29 Q146 H147 M148I28-I154 CarbonylContact C-O 3.59Å; I28-I154 WeakPolarHBondContact CA-O 3.34Å; I28-I154 WeakPolarHBondContact CB-O 3.5Å; V29-I154 HydrophobicContact CB-CB 3.88Å; V29-I154 HydrophobicContact CB-CD1 4.25Å; V29-I154 HydrophobicContact CB-CG2 3.9Å; V29-I154 HydrophobicContact CG2-CB 4.21Å; V29-I154 HydrophobicContact CG2-CG2 3.66Å; V29-I154 PolarHBondContact N-O 2.89Å; Q146-I154 HydrophobicContact CB-CG2 3.83Å; Q146-I154 HydrophobicContact CG-CG2 4.12Å; H147-I154 CarbonylContact O-C 3.58Å; H147-I154 WeakPolarHBondContact O-CA 3.38Å; M148-I154 HydrophobicContact CB-CG1 4.25Å; M148-I154 HydrophobicContact CG-CG1 4.28Å
155H88.8Confident84.3Confident2 Ų268 Ų681%0.00936%0.358CS..EExtended strand (participates in β ladder)trans-115174.5176.8-60.6-85.8000111.1I28 Q146 H147 D149 S153 Y247I28-H155 VanDerWaalsContact CG2-CE1 3.47Å; I28-H155 WeakPolarHBondContact CG2-CE1 3.5Å; I28-H155 WeakPolarHBondContact CG2-ND1 3.38Å; Q146-H155 CarbonylContact C-O 3.47Å; Q146-H155 VanDerWaalsContact CA-O 3.3Å; Q146-H155 WeakPolarHBondContact CA-O 3.06Å; H147-H155 PolarHBondContact N-O 3.05Å; H147-H155 PolarHBondContact O-N 3.12Å; D149-H155 IonicContact OD2-CD2 3.68Å; D149-H155 IonicContact OD2-NE2 2.64Å; S153-H155 VanDerWaalsContact CB-NE2 3.31Å; S153-H155 WeakPolarHBondContact CB-NE2 3.38Å; S153-H155 PolarHBondContact O-CD2 2.98Å; S153-H155 VanDerWaalsContact O-CD2 3.28Å; H155-Y247 HydrophobicContact CB-CD1 3.27Å; H155-Y247 HydrophobicContact CB-CE1 3.53Å; H155-Y247 HydrophobicContact CB-CG 4.03Å; H155-Y247 AromaticContact CD2-CE1 3.93Å; H155-Y247 AromaticContact CG-CD1 3.68Å; H155-Y247 AromaticContact CG-CE1 3.71Å
156F89.8Confident84.6Confident13 Ų1370.6 Ų70.66%0.05737%0.37CS..EExtended strand (participates in β ladder)trans-107.5126.5172-63.2-91000110.7L27 V29 V35 L90 L144 H145 Q146 Y247 F248L27-F156 HydrophobicContact CB-CD2 3.97Å; L27-F156 HydrophobicContact CB-CE2 4.28Å; V29-F156 HydrophobicContact CG2-CE2 4.31Å; V29-F156 HydrophobicContact CG2-CZ 4.09Å; V35-F156 HydrophobicContact CG1-CE2 4.22Å; V35-F156 HydrophobicContact CG2-CZ 4.09Å; L90-F156 HydrophobicContact CD1-CD1 4.34Å; L90-F156 HydrophobicContact CD1-CE1 3.8Å; L90-F156 HydrophobicContact CD1-CE2 4.17Å; L90-F156 HydrophobicContact CD1-CZ 3.71Å; L90-F156 HydrophobicContact CD2-CB 4.12Å; L90-F156 HydrophobicContact CD2-CD1 3.59Å; L90-F156 HydrophobicContact CD2-CD2 4.04Å; L90-F156 HydrophobicContact CD2-CE1 3.93Å; L90-F156 HydrophobicContact CD2-CE2 4.36Å; L90-F156 HydrophobicContact CD2-CG 3.64Å; L90-F156 HydrophobicContact CD2-CZ 4.3Å; L90-F156 HydrophobicContact CG-CE1 4.49Å; L144-F156 HydrophobicContact CB-CB 4.44Å; H145-F156 CarbonylContact O-C 3.54Å; H145-F156 VanDerWaalsContact O-CA 3.3Å; H145-F156 WeakPolarHBondContact O-CA 3.48Å; Q146-F156 HydrophobicContact CG-CD1 4.13Å; Q146-F156 HydrophobicContact CG-CE1 3.59Å; Q146-F156 HydrophobicContact CG-CZ 4.09Å; F156-Y247 CarbonylContact O-C 3.54Å; F156-Y247 WeakPolarHBondContact O-CA 3.36Å; F156-F248 HydrophobicContact CB-CB 3.82Å; F156-F248 PolarHBondContact O-N 3.48Å
157I89.3Confident84.9Confident21 Ų2166.5 Ų66.511%0.10836%0.356CS..EExtended strand (participates in β ladder)trans-133.1160.817867.1173.3000111.7L144 H145 H147 Y247L144-I157 CarbonylContact C-O 3.59Å; L144-I157 VanDerWaalsContact CA-O 3.27Å; L144-I157 WeakPolarHBondContact CA-O 3.36Å; H145-I157 PolarHBondContact CD2-O 3.41Å; H145-I157 PolarHBondContact N-O 2.99Å; H145-I157 WeakPolarHBondContact NE2-CG1 3.03Å; H145-I157 PolarHBondContact O-N 3.35Å; H147-I157 HydrophobicContact CB-CD1 3.49Å; H147-I157 VanDerWaalsContact CB-CD1 3.49Å; H147-I157 HydrophobicContact CB-CG1 3.57Å; H147-I157 HydrophobicContact CB-CG2 4.31Å; H147-I157 VanDerWaalsContact CG-CD1 3.43Å; I157-Y247 HydrophobicContact CG2-CD1 3.33Å; I157-Y247 HydrophobicContact CG2-CE1 3.6Å; I157-Y247 HydrophobicContact CG2-CG 4.46Å
158P89.1Confident85.4Confident21 Ų2164.4 Ų64.414%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-60.3134.2172.8-26.437.7000113.6L144 V231L144-P158 HydrophobicContact CD2-CG 4.35Å; P158-V231 HydrophobicContact CG-CG2 4.17Å
159K84.7Confident85.8Confident95 Ų9560.9 Ų60.941%0.41333%0.33SS..  trans-64.3144.6174.4-74.5-176.3179.6-173.90111.4S142 K143 H145 I161S142-K159 WeakPolarHBondContact CB-O 3.5Å; S142-K159 PolarHBondContact OG-O 3.43Å; K143-K159 WeakPolarHBondContact O-CG 3.36Å; K143-K159 PolarHBondContact O-N 2.96Å; H145-K159 HydrophobicContact CB-CD 4.24Å; H145-K159 VanDerWaalsContact CB-CE 3.49Å; H145-K159 HydrophobicContact CB-CG 3.68Å; H145-K159 VanDerWaalsContact CD2-CA 3.43Å; H145-K159 WeakPolarHBondContact CD2-CA 3.16Å; H145-K159 WeakPolarHBondContact CD2-CG 3.37Å; H145-K159 PolarHBondContact CD2-N 3.46Å; K159-I161 PolarHBondContact O-N 2.92Å
160N73.3Confident86.6Confident123 Ų12360.6 Ų60.666%0.65833%0.328SS*.SBendtrans-78.1-2175-68.7-26.3000114.3P162N160-P162 WeakPolarHBondContact O-CD 3Å
161I73.1Confident87.3Confident135 Ų13551.6 Ų51.669%0.69229%0.289SS*.SBendtrans-103.894.6178.7-54.9172.5000107.7K159K159-I161 PolarHBondContact O-N 2.92Å
162P76.2Confident87.9Confident45 Ų4552.7 Ų52.729%0.29230%0.295SS..PPolyproline II helixtrans-77.7154.1-175.634.6-38.6000111.7Q140 I141 N160Q140-P162 HydrophobicContact CB-CB 3.53Å; Q140-P162 HydrophobicContact CB-CG 4.31Å; Q140-P162 HydrophobicContact CG-CB 3.66Å; Q140-P162 HydrophobicContact CG-CG 3.91Å; I141-P162 CarbonylContact O-C 3.54Å; I141-P162 WeakPolarHBondContact O-CA 3.42Å; N160-P162 WeakPolarHBondContact O-CD 3Å
163R81.2Confident88.4Confident48 Ų4852 Ų5218%0.18128%0.284CS..BIsolated β-bridgetrans-88.2142.7167.5-61.7-57.1-165.9-175.14110.8I141 L189 I193 S196I141-R163 HydrophobicContact CB-CB 4.39Å; I141-R163 PolarHBondContact O-N 3.18Å; R163-L189 HydrophobicContact CB-CD1 4.47Å; R163-L189 HydrophobicContact CB-CD2 3.99Å; R163-I193 HydrophobicContact CG-CD1 4.08Å; R163-I193 HydrophobicContact CG-CG1 4.33Å; R163-I193 PolarHBondContact NH2-O 2.76Å; R163-S196 PolarHBondContact NH2-OG 3.45Å
164S85.4Confident88.8Confident69 Ų6951.2 Ų51.248%0.48328%0.275SS..PPolyproline II helixtrans-72.5142.8170.7-54.10000110.9Q190S164-Q190 PolarHBondContact O-N 3.09Å
165I94.4Very high88.7Confident15 Ų1550.6 Ų50.68%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-100.2132.4179.9-61.1166.8000108.3V136 L139 I141 A167 L168 I187V136-I165 HydrophobicContact CG1-CB 3.51Å; V136-I165 HydrophobicContact CG1-CD1 4.41Å; V136-I165 HydrophobicContact CG1-CG2 3.37Å; L139-I165 HydrophobicContact CB-CD1 3.52Å; L139-I165 HydrophobicContact CD1-CD1 4.47Å; I141-I165 HydrophobicContact CD1-CD1 4.02Å; I141-I165 HydrophobicContact CD1-CG1 4.43Å; I141-I165 HydrophobicContact CG1-CD1 3.89Å; I141-I165 HydrophobicContact CG1-CG1 3.79Å; I165-A167 WeakPolarHBondContact CG2-O 2.82Å; I165-L168 HydrophobicContact CD1-CD2 4.39Å; I165-L168 HydrophobicContact CG2-CD2 3.82Å; I165-L168 HydrophobicContact CG2-CG 4.21Å; I165-I187 HydrophobicContact CB-CG2 4.32Å; I165-I187 HydrophobicContact CD1-CG2 4.14Å; I165-I187 HydrophobicContact CG1-CG2 3.85Å; I165-I187 HydrophobicContact CG2-CG2 3.63Å
166E94.4Very high88.3Confident107 Ų10755.1 Ų55.150%0.530%0.295SS..EExtended strand (participates in β ladder)trans-85.1-47.7173.1-174.661.1-164.800110.8Q188 Q190E166-Q188 HydrophobicContact CB-CB 4.22Å; E166-Q188 HydrophobicContact CB-CG 4.15Å; E166-Q188 PolarHBondContact N-O 2.59Å; E166-Q190 HydrophobicContact CB-CG 3.97Å; E166-Q190 WeakPolarHBondContact OE2-CG 3.16Å; E166-Q190 PolarHBondContact OE2-NE2 2.83Å; E166-Q190 VanDerWaalsContact OE2-NE2 3.13Å
167A96.2Very high87.3Confident27 Ų2761.1 Ų61.122%0.22332%0.323CS..EExtended strand (participates in β ladder)trans-147.7149.2-17600000112.7I165 I169 Q188I165-A167 WeakPolarHBondContact CG2-O 2.82Å; A167-I169 HydrophobicContact CB-CG1 4.36Å; A167-Q188 HydrophobicContact CB-CB 4.07Å; A167-Q188 PolarHBondContact N-O 3.26Å; A167-Q188 PolarHBondContact O-N 2.71Å
168L97.6Very high86.4Confident18 Ų1861.8 Ų61.89%0.09433%0.326CS..EExtended strand (participates in β ladder)trans-115.8118.4168.3-61.5179.4000108.2I129 F132 V136 L139 I165 I187I129-L168 HydrophobicContact CB-CD1 4.32Å; I129-L168 HydrophobicContact CB-CD2 4.17Å; I129-L168 HydrophobicContact CD1-CB 4.34Å; I129-L168 HydrophobicContact CD1-CD2 4.36Å; I129-L168 HydrophobicContact CG2-CD2 4.13Å; F132-L168 HydrophobicContact CB-CD1 3.99Å; V136-L168 HydrophobicContact CB-CD1 4.48Å; V136-L168 HydrophobicContact CG1-CD1 4.49Å; V136-L168 HydrophobicContact CG1-CG 4.32Å; V136-L168 HydrophobicContact CG2-CD1 3.87Å; V136-L168 HydrophobicContact CG2-CG 4.05Å; L139-L168 HydrophobicContact CD1-CD1 3.88Å; L139-L168 HydrophobicContact CD1-CD2 4.3Å; I165-L168 HydrophobicContact CD1-CD2 4.39Å; I165-L168 HydrophobicContact CG2-CD2 3.82Å; I165-L168 HydrophobicContact CG2-CG 4.21Å; L168-I187 HydrophobicContact CD2-CB 4.25Å; L168-I187 HydrophobicContact CD2-CD1 4.23Å; L168-I187 HydrophobicContact CD2-CG1 3.78Å; L168-I187 HydrophobicContact CD2-CG2 3.94Å
169I97.7Very high85.4Confident43 Ų4365.1 Ų65.122%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-118.7114.9-174.4-53.8176.5000108.1W121 A167 G185 L186 W371 I375W121-I169 HydrophobicContact CH2-CD1 3.76Å; W121-I169 HydrophobicContact CZ3-CD1 3.8Å; A167-I169 HydrophobicContact CB-CG1 4.36Å; I169-G185 CarbonylContact O-C 3.41Å; I169-G185 VanDerWaalsContact O-CA 3.3Å; I169-G185 WeakPolarHBondContact O-CA 3.45Å; I169-L186 HydrophobicContact CB-CB 4.26Å; I169-L186 PolarHBondContact N-O 3.1Å; I169-L186 PolarHBondContact O-N 3.24Å; I169-W371 HydrophobicContact CG2-CZ2 4.14Å; I169-I375 HydrophobicContact CD1-CG2 3.41Å; I169-I375 VanDerWaalsContact CD1-CG2 3.41Å; I169-I375 HydrophobicContact CG2-CG2 4.46Å
170L97Very high84.9Confident30 Ų3060.9 Ų60.916%0.15733%0.332CS..EExtended strand (participates in β ladder)trans-89.4149.3173.9-52-178.5000109.2A126 I129 Q133 F174A126-L170 HydrophobicContact CB-CD2 4.12Å; I129-L170 HydrophobicContact CD1-CD2 3.76Å; I129-L170 HydrophobicContact CG1-CD2 3.58Å; Q133-L170 VanDerWaalsContact CD-CD1 3.42Å; Q133-L170 HydrophobicContact CG-CD1 4.21Å; Q133-L170 HydrophobicContact CG-CG 4.42Å; L170-F174 HydrophobicContact CD1-CD1 4.21Å
171H95.4Very high85.4Confident16 Ų1655.2 Ų55.27%0.07430%0.301CS..  trans-58134.4165.4-171.7-86.8000109.8N173 F174 P182 I184 Y368 W371H171-N173 PolarHBondContact ND1-N 3.02Å; H171-N173 PolarHBondContact O-N 2.91Å; H171-N173 VanDerWaalsContact O-N 3.1Å; H171-F174 HydrophobicContact CB-CB 4.47Å; H171-F174 VanDerWaalsContact O-CB 3.23Å; H171-F174 WeakPolarHBondContact O-CB 3.37Å; H171-F174 PolarHBondContact O-N 2.94Å; H171-P182 HydrophobicContact CB-CB 4.1Å; H171-P182 VanDerWaalsContact ND1-CB 3.35Å; H171-P182 WeakPolarHBondContact ND1-CB 3.35Å; H171-I184 HydrophobicContact CB-CG2 3.65Å; H171-I184 WeakPolarHBondContact CB-O 3.36Å; H171-I184 PolarHBondContact N-O 3.47Å; H171-I184 VanDerWaalsContact N-O 3.13Å; H171-Y368 AromaticContact CD2-CD1 3.58Å; H171-Y368 AromaticContact CD2-CE1 3.95Å; H171-Y368 AromaticContact NE2-CD1 3.55Å; H171-Y368 AromaticContact NE2-CE1 3.76Å; H171-W371 HydrophobicContact CB-CH2 4.3Å; H171-W371 HydrophobicContact CB-CZ2 4.13Å; H171-W371 AromaticContact CD2-CD2 3.68Å; H171-W371 AromaticContact CD2-CE2 3.93Å; H171-W371 AromaticContact CD2-CG 3.89Å
172P93.2Very high86.1Confident99 Ų9948.8 Ų48.864%0.64327%0.269SS*.THydrogen-bonded Turntrans-60.6-26.7-171.721.4-34.4000114.4
173N90Very high86.9Confident74 Ų7447 Ų4740%0.39626%0.257SS..THydrogen-bonded Turntrans-92.63.9178.1-60.6-22.3000113.6H171 P182 F303H171-N173 PolarHBondContact ND1-N 3.02Å; H171-N173 PolarHBondContact O-N 2.91Å; H171-N173 VanDerWaalsContact O-N 3.1Å; N173-P182 HydrophobicContact CB-CG 4.11Å; N173-P182 WeakPolarHBondContact O-CD 3.19Å; N173-F303 HydrophobicContact CB-CE1 4.37Å; N173-F303 HydrophobicContact CB-CZ 4.02Å; N173-F303 WeakPolarHBondContact ND2-CE1 3.46Å; N173-F303 WeakPolarHBondContact ND2-CZ 2.94Å
174F90.8Very high87.6Confident25 Ų2544.8 Ų44.811%0.1125%0.248CC..  trans-69.7136.2176.5177-103.8000111.1A126 H127 L170 H171 Q176 S181 P182 D183A126-F174 HydrophobicContact CB-CB 4.12Å; A126-F174 HydrophobicContact CB-CD1 3.63Å; A126-F174 HydrophobicContact CB-CD2 3.42Å; A126-F174 VanDerWaalsContact CB-CD2 3.42Å; A126-F174 HydrophobicContact CB-CE1 3.84Å; A126-F174 HydrophobicContact CB-CE2 3.63Å; A126-F174 HydrophobicContact CB-CG 3.4Å; A126-F174 VanDerWaalsContact CB-CG 3.4Å; A126-F174 HydrophobicContact CB-CZ 3.82Å; H127-F174 HydrophobicContact CB-CE2 4.39Å; H127-F174 HydrophobicContact CB-CZ 3.83Å; L170-F174 HydrophobicContact CD1-CD1 4.21Å; H171-F174 HydrophobicContact CB-CB 4.47Å; H171-F174 VanDerWaalsContact O-CB 3.23Å; H171-F174 WeakPolarHBondContact O-CB 3.37Å; H171-F174 PolarHBondContact O-N 2.94Å; F174-Q176 HydrophobicContact CE1-CB 4.4Å; F174-Q176 VanDerWaalsContact CZ-OE1 3.27Å; F174-S181 WeakPolarHBondContact CD2-OG 3.3Å; F174-S181 WeakPolarHBondContact CE2-OG 3.05Å; F174-P182 WeakPolarHBondContact CB-O 3.35Å; F174-P182 WeakPolarHBondContact CD2-O 3.07Å; F174-D183 HydrophobicContact CD2-CB 4.36Å; F174-D183 HydrophobicContact CE2-CB 4.1Å
175T84.4Confident88.1Confident36 Ų3641.5 Ų41.522%0.22123%0.225CC..  trans-139121176.552.70000109.4Q177 Q178 S181T175-Q177 PolarHBondContact O-N 2.99Å; T175-Q177 VanDerWaalsContact O-N 3.12Å; T175-Q178 PolarHBondContact O-N 3.35Å; T175-Q178 VanDerWaalsContact O-N 3.12Å; T175-Q178 WeakPolarHBondContact OG1-CB 3.17Å; T175-Q178 PolarHBondContact OG1-OE1 3.3Å; T175-S181 PolarHBondContact N-OG 3.36Å; T175-S181 PolarHBondContact O-OG 2.88Å; T175-S181 VanDerWaalsContact OG1-CB 3.26Å; T175-S181 WeakPolarHBondContact OG1-CB 3.48Å
176Q80.5Confident88.2Confident97 Ų9740.8 Ų40.845%0.45322%0.221SC..THydrogen-bonded Turntrans-58.9-30.6-174.4-170.667.822.700113.1S130 F174 Q178S130-Q176 PolarHBondContact OG-OE1 2.83Å; F174-Q176 HydrophobicContact CE1-CB 4.4Å; F174-Q176 VanDerWaalsContact CZ-OE1 3.27Å; Q176-Q178 VanDerWaalsContact C-N 3.32Å
177Q70.6Confident88.4Confident140 Ų14035.7 Ų35.765%0.65420%0.198SC*.THydrogen-bonded Turntrans-78.3-16.5-175.5-58.782-2.300112.9T175T175-Q177 PolarHBondContact O-N 2.99Å; T175-Q177 VanDerWaalsContact O-N 3.12Å
178Q70.2Confident88.4Confident34 Ų3437.1 Ų37.116%0.15920%0.2CC..  trans-118.4111.9-171.1-62.5165.4-18.800110T175 Q176 L180 S181 N282 I285T175-Q178 PolarHBondContact O-N 3.35Å; T175-Q178 VanDerWaalsContact O-N 3.12Å; T175-Q178 WeakPolarHBondContact OG1-CB 3.17Å; T175-Q178 PolarHBondContact OG1-OE1 3.3Å; Q176-Q178 VanDerWaalsContact C-N 3.32Å; Q178-L180 PolarHBondContact O-N 2.93Å; Q178-L180 VanDerWaalsContact O-N 3.07Å; Q178-S181 WeakPolarHBondContact O-CB 3.43Å; Q178-S181 PolarHBondContact O-N 3.4Å; Q178-S181 PolarHBondContact O-OG 3.36Å; Q178-S181 VanDerWaalsContact O-OG 3.06Å; Q178-N282 PolarHBondContact NE2-ND2 3.4Å; Q178-N282 PolarHBondContact OE1-ND2 2.89Å; Q178-I285 HydrophobicContact CB-CD1 3.51Å; Q178-I285 HydrophobicContact CG-CD1 3.5Å
179S66.9Low88.2Confident92 Ų9236.5 Ų36.564%0.64320%0.196SC*.THydrogen-bonded Turntrans-64.1-15-175.5-52.50000114.9
180L74.4Confident87.9Confident6 Ų639.7 Ų39.73%0.03121%0.211CC..THydrogen-bonded Turntrans-97.73.3176.3-63.1-176.5000111.5Q178 W262 W284 I285 C288 Y305Q178-L180 PolarHBondContact O-N 2.93Å; Q178-L180 VanDerWaalsContact O-N 3.07Å; L180-W262 HydrophobicContact CD1-CH2 4.14Å; L180-W262 HydrophobicContact CD1-CZ3 4.01Å; L180-W262 HydrophobicContact CD2-CZ3 4.4Å; L180-W262 HydrophobicContact CG-CZ3 4.47Å; L180-W284 HydrophobicContact CB-CZ3 4.28Å; L180-W284 WeakPolarHBondContact O-CH2 3.32Å; L180-W284 WeakPolarHBondContact O-CZ3 3.36Å; L180-I285 HydrophobicContact CB-CG2 4.1Å; L180-I285 HydrophobicContact CD1-CG2 3.87Å; L180-I285 HydrophobicContact CG-CG2 4.42Å; L180-C288 HydrophobicContact CD1-CB 4.27Å; L180-Y305 HydrophobicContact CB-CE1 4.26Å; L180-Y305 HydrophobicContact CB-CE2 4.37Å; L180-Y305 WeakPolarHBondContact CB-OH 3.23Å; L180-Y305 HydrophobicContact CD2-CD1 4.4Å; L180-Y305 HydrophobicContact CD2-CD2 4.19Å; L180-Y305 HydrophobicContact CD2-CE1 4.05Å; L180-Y305 HydrophobicContact CD2-CE2 3.82Å; L180-Y305 HydrophobicContact CD2-CG 4.5Å; L180-Y305 WeakPolarHBondContact O-CE1 2.99Å; L180-Y305 VanDerWaalsContact O-CZ 3.3Å; L180-Y305 PolarHBondContact O-OH 2.81Å
181S83.5Confident87.5Confident3 Ų340.5 Ų40.52%0.02122%0.219CC..SBendtrans-66.3152.4174.172.90000111.8F174 T175 Q178 D183F174-S181 WeakPolarHBondContact CD2-OG 3.3Å; F174-S181 WeakPolarHBondContact CE2-OG 3.05Å; T175-S181 PolarHBondContact N-OG 3.36Å; T175-S181 PolarHBondContact O-OG 2.88Å; T175-S181 VanDerWaalsContact OG1-CB 3.26Å; T175-S181 WeakPolarHBondContact OG1-CB 3.48Å; Q178-S181 WeakPolarHBondContact O-CB 3.43Å; Q178-S181 PolarHBondContact O-N 3.4Å; Q178-S181 PolarHBondContact O-OG 3.36Å; Q178-S181 VanDerWaalsContact O-OG 3.06Å; S181-D183 VanDerWaalsContact C-N 3.27Å; S181-D183 PolarHBondContact O-N 3.27Å
182P88.9Confident87Confident1 Ų141.2 Ų41.21%0.00623%0.225CC..  trans-52.887.1173.7-34.741.4000113H171 N173 F174 I184 F303 Y368H171-P182 HydrophobicContact CB-CB 4.1Å; H171-P182 VanDerWaalsContact ND1-CB 3.35Å; H171-P182 WeakPolarHBondContact ND1-CB 3.35Å; N173-P182 HydrophobicContact CB-CG 4.11Å; N173-P182 WeakPolarHBondContact O-CD 3.19Å; F174-P182 WeakPolarHBondContact CB-O 3.35Å; F174-P182 WeakPolarHBondContact CD2-O 3.07Å; P182-I184 HydrophobicContact CB-CG2 4.37Å; P182-I184 PolarHBondContact O-N 3.3Å; P182-F303 HydrophobicContact CB-CD1 4.46Å; P182-F303 HydrophobicContact CG-CB 3.96Å; P182-F303 HydrophobicContact CG-CD1 3.32Å; P182-F303 HydrophobicContact CG-CD2 3.86Å; P182-F303 HydrophobicContact CG-CE1 3.78Å; P182-F303 HydrophobicContact CG-CE2 4.26Å; P182-F303 HydrophobicContact CG-CG 3.39Å; P182-F303 HydrophobicContact CG-CZ 4.24Å; P182-Y368 HydrophobicContact CB-CE1 3.68Å; P182-Y368 HydrophobicContact CG-CE1 4.1Å
183D92.9Very high86.3Confident8 Ų836.8 Ų36.84%0.04320%0.196CC..  trans-81.968.5-174.5-173.725.6000110A126 H127 F174 S181 I346 S348 T363A126-D183 PolarHBondContact N-OD1 2.94Å; H127-D183 IonicContact CE1-OD2 3.56Å; H127-D183 PolarHBondContact CE1-OD2 3.31Å; H127-D183 IonicContact CG-OD1 3.52Å; H127-D183 IonicContact CG-OD2 3.21Å; H127-D183 PolarHBondContact N-OD1 2.88Å; H127-D183 VanDerWaalsContact ND1-CG 3.32Å; H127-D183 IonicContact ND1-OD1 2.7Å; H127-D183 PolarHBondContact ND1-OD1 3.02Å; H127-D183 VanDerWaalsContact ND1-OD1 3.15Å; H127-D183 IonicContact ND1-OD2 2.88Å; H127-D183 PolarHBondContact ND1-OD2 2.96Å; F174-D183 HydrophobicContact CD2-CB 4.36Å; F174-D183 HydrophobicContact CE2-CB 4.1Å; S181-D183 VanDerWaalsContact C-N 3.27Å; S181-D183 PolarHBondContact O-N 3.27Å; D183-I346 VanDerWaalsContact O-CD1 3.23Å; D183-I346 WeakPolarHBondContact O-CD1 3.32Å; D183-S348 VanDerWaalsContact OD2-CB 3.28Å; D183-S348 WeakPolarHBondContact OD2-CB 3.14Å; D183-S348 PolarHBondContact OD2-OG 3.28Å; D183-T363 PolarHBondContact O-OG1 3Å
184I94.6Very high85.4Confident0 Ų035 Ų350%019%0.186CC..  trans-142.1131.4-177-168.2173.6000110.3L123 H171 P182 I346 T363 I365 Y368 W371 I372L123-I184 HydrophobicContact CD1-CD1 3.93Å; L123-I184 HydrophobicContact CD1-CG1 3.73Å; H171-I184 HydrophobicContact CB-CG2 3.65Å; H171-I184 WeakPolarHBondContact CB-O 3.36Å; H171-I184 PolarHBondContact N-O 3.47Å; H171-I184 VanDerWaalsContact N-O 3.13Å; P182-I184 HydrophobicContact CB-CG2 4.37Å; P182-I184 PolarHBondContact O-N 3.3Å; I184-I346 HydrophobicContact CB-CD1 3.91Å; I184-I346 HydrophobicContact CD1-CD1 4.45Å; I184-I346 HydrophobicContact CG1-CD1 3.73Å; I184-T363 HydrophobicContact CB-CG2 4.07Å; I184-I365 HydrophobicContact CD1-CD1 4.33Å; I184-Y368 HydrophobicContact CD1-CD2 3.85Å; I184-Y368 HydrophobicContact CD1-CG 3.87Å; I184-Y368 HydrophobicContact CG2-CD1 3.98Å; I184-Y368 HydrophobicContact CG2-CD2 4.36Å; I184-Y368 HydrophobicContact CG2-CE1 4.19Å; I184-Y368 HydrophobicContact CG2-CG 4.06Å; I184-W371 HydrophobicContact CD1-CZ3 4.14Å; I184-W371 HydrophobicContact CG1-CZ3 3.94Å; I184-W371 HydrophobicContact CG2-CE3 4.45Å; I184-W371 HydrophobicContact CG2-CH2 4.48Å; I184-W371 HydrophobicContact CG2-CZ3 3.99Å; I184-I372 HydrophobicContact CD1-CD1 4.12Å
185G96.7Very high84.2Confident0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-142.8156-17600000111.8T124 I169T124-G185 PolarHBondContact N-O 3.04Å; T124-G185 PolarHBondContact O-N 2.81Å; T124-G185 VanDerWaalsContact O-O 3.13Å; I169-G185 CarbonylContact O-C 3.41Å; I169-G185 VanDerWaalsContact O-CA 3.3Å; I169-G185 WeakPolarHBondContact O-CA 3.45Å
186L97.5Very high82.8Confident0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-119.5139.9177.4-67.1164.8000109.9I117 W121 I122 L123 I169 W371 I372 I375 T376I117-L186 HydrophobicContact CD1-CD2 3.86Å; W121-L186 HydrophobicContact CE3-CB 4.2Å; W121-L186 HydrophobicContact CZ3-CB 4.15Å; I122-L186 CarbonylContact O-C 3.46Å; I122-L186 VanDerWaalsContact O-CA 3.31Å; I122-L186 WeakPolarHBondContact O-CA 3.49Å; L123-L186 HydrophobicContact CD1-CD2 3.86Å; I169-L186 HydrophobicContact CB-CB 4.26Å; I169-L186 PolarHBondContact N-O 3.1Å; I169-L186 PolarHBondContact O-N 3.24Å; L186-W371 HydrophobicContact CD1-CE3 4.5Å; L186-W371 HydrophobicContact CD1-CH2 3.76Å; L186-W371 HydrophobicContact CD1-CZ2 4.18Å; L186-W371 HydrophobicContact CD1-CZ3 3.92Å; L186-W371 HydrophobicContact CG-CH2 3.81Å; L186-W371 HydrophobicContact CG-CZ3 4.02Å; L186-I372 HydrophobicContact CD2-CG2 4.33Å; L186-I375 HydrophobicContact CD1-CB 3.99Å; L186-I375 HydrophobicContact CD1-CG2 3.81Å; L186-T376 HydrophobicContact CD1-CG2 3.66Å; L186-T376 HydrophobicContact CD2-CG2 4.07Å; L186-T376 HydrophobicContact CG-CG2 4.43Å
187I97.4Very high81.5Confident0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-115.1125.2170.5-51-179.5000107.5I96 W121 I122 T124 I129 I141 I165 L168I96-I187 HydrophobicContact CD1-CD1 3.74Å; I96-I187 HydrophobicContact CG1-CD1 4.14Å; W121-I187 WeakPolarHBondContact CA-O 3.21Å; I122-I187 HydrophobicContact CB-CB 4.13Å; I122-I187 HydrophobicContact CD1-CB 4.45Å; I122-I187 HydrophobicContact CD1-CG2 4.5Å; I122-I187 PolarHBondContact N-O 3.31Å; I122-I187 PolarHBondContact O-N 2.93Å; T124-I187 HydrophobicContact CG2-CD1 4.11Å; T124-I187 HydrophobicContact CG2-CG1 4.13Å; I129-I187 HydrophobicContact CD1-CG1 4.31Å; I129-I187 HydrophobicContact CG2-CD1 3.73Å; I129-I187 HydrophobicContact CG2-CG1 4.07Å; I141-I187 HydrophobicContact CD1-CD1 3.65Å; I141-I187 HydrophobicContact CD1-CG2 4.35Å; I141-I187 HydrophobicContact CG1-CG2 4.37Å; I165-I187 HydrophobicContact CB-CG2 4.32Å; I165-I187 HydrophobicContact CD1-CG2 4.14Å; I165-I187 HydrophobicContact CG1-CG2 3.85Å; I165-I187 HydrophobicContact CG2-CG2 3.63Å; L168-I187 HydrophobicContact CD2-CB 4.25Å; L168-I187 HydrophobicContact CD2-CD1 4.23Å; L168-I187 HydrophobicContact CD2-CG1 3.78Å; L168-I187 HydrophobicContact CD2-CG2 3.94Å
188Q95.6Very high80.2Confident57 Ų5738.6 Ų38.627%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-95128.9169.8-166.2178.94.600109.2N120 W121 E166 A167N120-Q188 WeakPolarHBondContact O-CA 3.43Å; W121-Q188 HydrophobicContact CD2-CB 4.42Å; W121-Q188 HydrophobicContact CD2-CG 4.3Å; W121-Q188 HydrophobicContact CE3-CB 3.91Å; W121-Q188 HydrophobicContact CE3-CG 4.28Å; W121-Q188 HydrophobicContact CH2-CB 3.69Å; W121-Q188 HydrophobicContact CH2-CG 3.78Å; W121-Q188 HydrophobicContact CZ2-CB 4.2Å; W121-Q188 HydrophobicContact CZ2-CG 3.78Å; W121-Q188 HydrophobicContact CZ3-CB 3.53Å; W121-Q188 HydrophobicContact CZ3-CG 4.04Å; E166-Q188 HydrophobicContact CB-CB 4.22Å; E166-Q188 HydrophobicContact CB-CG 4.15Å; E166-Q188 PolarHBondContact N-O 2.59Å; A167-Q188 HydrophobicContact CB-CB 4.07Å; A167-Q188 PolarHBondContact N-O 3.26Å; A167-Q188 PolarHBondContact O-N 2.71Å
189L93.9Very high79Confident5 Ų544.6 Ų44.63%0.02625%0.251CS..EExtended strand (participates in β ladder)trans-85145172.6-58.9-179.4000110.5N120 I122 I141 R163 S191 I193N120-L189 HydrophobicContact CB-CB 4.44Å; N120-L189 PolarHBondContact O-N 3.35Å; I122-L189 HydrophobicContact CD1-CD1 4.14Å; I122-L189 HydrophobicContact CD1-CD2 3.77Å; I122-L189 HydrophobicContact CD1-CG 4.01Å; I141-L189 HydrophobicContact CB-CD2 4.19Å; I141-L189 HydrophobicContact CG1-CD2 3.97Å; I141-L189 HydrophobicContact CG2-CD2 4.34Å; R163-L189 HydrophobicContact CB-CD1 4.47Å; R163-L189 HydrophobicContact CB-CD2 3.99Å; L189-S191 WeakPolarHBondContact CB-O 3.28Å; L189-S191 PolarHBondContact O-N 3.46Å; L189-I193 HydrophobicContact CD1-CB 4.06Å; L189-I193 HydrophobicContact CD1-CD1 3.92Å
190Q92Very high77.9Confident111 Ų11146.5 Ų46.552%0.51925%0.25SS..SBendtrans-64.8-28.8176.1-61.6-160.1-53.600113.1S164 E166S164-Q190 PolarHBondContact O-N 3.09Å; E166-Q190 HydrophobicContact CB-CG 3.97Å; E166-Q190 WeakPolarHBondContact OE2-CG 3.16Å; E166-Q190 PolarHBondContact OE2-NE2 2.83Å; E166-Q190 VanDerWaalsContact OE2-NE2 3.13Å
191S87.7Confident76.2Confident47 Ų4755.5 Ų55.533%0.32929%0.294SS..SBendtrans-139.4153.2178.355.50000110L189 I193L189-S191 WeakPolarHBondContact CB-O 3.28Å; L189-S191 PolarHBondContact O-N 3.46Å; S191-I193 PolarHBondContact O-N 3.15Å
192S84.5Confident74.2Confident30 Ų3062.8 Ų62.821%0.2132%0.322CS..  trans-52.7132.7173.6170.20000110.1N119 L194 N195N119-S192 WeakPolarHBondContact O-CA 3.48Å; S192-L194 PolarHBondContact O-N 2.6Å; S192-L194 VanDerWaalsContact O-N 3.09Å; S192-L194 WeakPolarHBondContact OG-CB 3.04Å; S192-L194 PolarHBondContact OG-N 2.83Å; S192-N195 WeakPolarHBondContact O-CB 3.14Å; S192-N195 PolarHBondContact O-N 3.36Å
193I79.9Confident72.1Confident7 Ų768.6 Ų68.64%0.03635%0.353CS..G310 helixtrans-63-17.5176.8-158.5140.3000112.3L116 N119 K143 R163 L189 S191L116-I193 HydrophobicContact CD1-CD1 4.14Å; L116-I193 HydrophobicContact CD1-CG2 4.24Å; L116-I193 HydrophobicContact CD2-CD1 4.17Å; L116-I193 HydrophobicContact CD2-CG2 4.31Å; N119-I193 WeakPolarHBondContact O-CG2 3.45Å; N119-I193 PolarHBondContact O-N 3.33Å; K143-I193 HydrophobicContact CD-CD1 4.15Å; K143-I193 HydrophobicContact CD-CG1 4.09Å; K143-I193 HydrophobicContact CG-CD1 3.75Å; K143-I193 HydrophobicContact CG-CG1 4.18Å; R163-I193 HydrophobicContact CG-CD1 4.08Å; R163-I193 HydrophobicContact CG-CG1 4.33Å; R163-I193 PolarHBondContact NH2-O 2.76Å; L189-I193 HydrophobicContact CD1-CB 4.06Å; L189-I193 HydrophobicContact CD1-CD1 3.92Å; S191-I193 PolarHBondContact O-N 3.15Å
194L70.2Confident70Confident36 Ų3671.8 Ų71.819%0.18837%0.365CS..G310 helixtrans-76.4-19.5176.5-54.7-169.7000113.7N119 S192 S196 I197 Y204 L207N119-L194 HydrophobicContact CB-CD1 4.45Å; N119-L194 HydrophobicContact CB-CG 4.28Å; N119-L194 VanDerWaalsContact CG-CD1 3.49Å; N119-L194 VanDerWaalsContact ND2-CD1 3.32Å; N119-L194 WeakPolarHBondContact ND2-CD1 3.43Å; N119-L194 WeakPolarHBondContact OD1-CD1 3.13Å; S192-L194 PolarHBondContact O-N 2.6Å; S192-L194 VanDerWaalsContact O-N 3.09Å; S192-L194 WeakPolarHBondContact OG-CB 3.04Å; S192-L194 PolarHBondContact OG-N 2.83Å; L194-S196 PolarHBondContact O-N 2.61Å; L194-I197 HydrophobicContact CD2-CD1 4.04Å; L194-I197 PolarHBondContact O-N 2.87Å; L194-Y204 HydrophobicContact CD1-CD1 3.78Å; L194-Y204 HydrophobicContact CD1-CE1 3.85Å; L194-Y204 HydrophobicContact CD1-CG 4.5Å; L194-Y204 HydrophobicContact CD2-CD1 3.96Å; L194-Y204 HydrophobicContact CD2-CE1 3.25Å; L194-Y204 HydrophobicContact CG-CE1 4.14Å; L194-L207 HydrophobicContact CD2-CD1 4.01Å
195N65.3Low67.6Low111 Ų11176.5 Ų76.559%0.59439%0.387SS*.G310 helixtrans-64.6-9.2-174.3-71.80.7000114.5S192S192-N195 WeakPolarHBondContact O-CB 3.14Å; S192-N195 PolarHBondContact O-N 3.36Å
196S55.3Low65Low69 Ų6981.8 Ų81.848%0.48341%0.412SS..G310 helixtrans-102.9-0.5171.4760000114.5R163 L194 N198R163-S196 PolarHBondContact NH2-OG 3.45Å; L194-S196 PolarHBondContact O-N 2.61Å; S196-N198 PolarHBondContact O-N 3.16Å; S196-N198 VanDerWaalsContact O-N 3.17Å
197I53.4Low62.4Low53 Ų5383.4 Ų83.427%0.27242%0.421SS..  trans-93.367.6-177.7-50.7172.7000107.2L194 N199 E200 Y204L194-I197 HydrophobicContact CD2-CD1 4.04Å; L194-I197 PolarHBondContact O-N 2.87Å; I197-N199 PolarHBondContact O-N 2.88Å; I197-E200 HydrophobicContact CG2-CB 4.09Å; I197-Y204 WeakPolarHBondContact CB-OH 3.29Å; I197-Y204 WeakPolarHBondContact CD1-OH 3.46Å; I197-Y204 WeakPolarHBondContact CG2-OH 3Å
198N43.6Very low59.7Low141 Ų14187.2 Ų87.275%0.75444%0.437SS*.  trans-72.3116.2163.4-70.5-17.1000106.8S196S196-N198 PolarHBondContact O-N 3.16Å; S196-N198 VanDerWaalsContact O-N 3.17Å
199N44.1Very low57.3Low160 Ų16089.5 Ų89.586%0.85645%0.446SS*.SBendtrans84.413.3163.4-59.2-18000121.2I197I197-N199 PolarHBondContact O-N 2.88Å
200E45.4Very low55.2Low132 Ų13291.6 Ų91.662%0.61746%0.455SS*.  trans-103.695162-72.3-175.1-166.900109.5I197 Y202I197-E200 HydrophobicContact CG2-CB 4.09Å; E200-Y202 HydrophobicContact CB-CD2 4.24Å; E200-Y202 PolarHBondContact O-N 3.09Å
201M37.2Very low53.3Low194 Ų19486.8 Ų86.896%0.95643%0.433SS*.  trans-65.466.2176.1-170172.974.700110.5
202Y43.3Very low51.7Low156 Ų15686.6 Ų86.661%0.61243%0.428SS*.  trans-91.1141.1164.3-84.3-85000109.3E200 Y204E200-Y202 HydrophobicContact CB-CD2 4.24Å; E200-Y202 PolarHBondContact O-N 3.09Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 WeakPolarHBondContact O-CD2 3.08Å; Y202-Y204 PolarHBondContact O-N 2.97Å
203N43Very low50.3Low124 Ų12486.2 Ų86.266%0.66342%0.423SS*.  trans-67.483.3-172.4-163.53.8000111.2E205 E206N203-E205 PolarHBondContact O-N 3.06Å; N203-E206 PolarHBondContact O-N 3.12Å
204Y48.6Very low49Very low74 Ų7487.7 Ų87.729%0.2943%0.431SS..THydrogen-bonded Turntrans-59.5-15.3-176-79.9-72.8000114.8L194 I197 Y202 E206 L207 K208L194-Y204 HydrophobicContact CD1-CD1 3.78Å; L194-Y204 HydrophobicContact CD1-CE1 3.85Å; L194-Y204 HydrophobicContact CD1-CG 4.5Å; L194-Y204 HydrophobicContact CD2-CD1 3.96Å; L194-Y204 HydrophobicContact CD2-CE1 3.25Å; L194-Y204 HydrophobicContact CG-CE1 4.14Å; I197-Y204 WeakPolarHBondContact CB-OH 3.29Å; I197-Y204 WeakPolarHBondContact CD1-OH 3.46Å; I197-Y204 WeakPolarHBondContact CG2-OH 3Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y202-Y204 WeakPolarHBondContact O-CD2 3.08Å; Y202-Y204 PolarHBondContact O-N 2.97Å; Y204-E206 PolarHBondContact O-N 3.12Å; Y204-L207 HydrophobicContact CD1-CB 4.47Å; Y204-L207 HydrophobicContact CD1-CD1 3.48Å; Y204-L207 VanDerWaalsContact CD1-CD1 3.48Å; Y204-L207 HydrophobicContact CD1-CG 3.92Å; Y204-L207 HydrophobicContact CE1-CD1 3.59Å; Y204-L207 HydrophobicContact CE1-CG 4.4Å; Y204-L207 WeakPolarHBondContact O-CB 2.87Å; Y204-L207 PolarHBondContact O-N 2.1Å; Y204-K208 PolarHBondContact O-N 2.63Å
205E44.5Very low48.2Very low100 Ų10090 Ų9047%0.46744%0.444SS..Hα-helixtrans-57.5-24.1168.2-67.4-58.9149.300112.2N203 K208 K209N203-E205 PolarHBondContact O-N 3.06Å; E205-K208 VanDerWaalsContact CD-NZ 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.03Å; E205-K208 PolarHBondContact O-N 2.87Å; E205-K208 IonicContact OE1-NZ 3.77Å; E205-K208 PolarHBondContact OE1-NZ 2.65Å; E205-K208 WeakPolarHBondContact OE2-CD 3.38Å; E205-K208 IonicContact OE2-NZ 3.49Å; E205-K208 PolarHBondContact OE2-NZ 2.86Å; E205-K209 PolarHBondContact O-N 3.28Å
206E43.4Very low47.6Very low111 Ų11190.7 Ų90.752%0.51944%0.442SS..Hα-helixtrans-78.6-25.6170.4-70-141.5127.300114.1R92 N203 Y204 K208 K209R92-E206 PolarHBondContact NH2-O 3.2Å; N203-E206 PolarHBondContact O-N 3.12Å; Y204-E206 PolarHBondContact O-N 3.12Å; E206-K208 PolarHBondContact O-N 3.15Å; E206-K209 WeakPolarHBondContact O-CB 3.26Å; E206-K209 PolarHBondContact O-N 3.4Å; E206-K209 IonicContact OE1-NZ 2.88Å; E206-K209 PolarHBondContact OE1-NZ 2.66Å
207L42Very low47.5Very low34 Ų3488.9 Ų88.918%0.17843%0.426CS..Hα-helixtrans-67.1-31169.1-62.7-164.5000111.2D91 R92 L194 Y204 K209D91-L207 HydrophobicContact CB-CD2 4.08Å; R92-L207 VanDerWaalsContact NH2-CA 3.26Å; R92-L207 PolarHBondContact NH2-O 3.48Å; L194-L207 HydrophobicContact CD2-CD1 4.01Å; Y204-L207 HydrophobicContact CD1-CB 4.47Å; Y204-L207 HydrophobicContact CD1-CD1 3.48Å; Y204-L207 VanDerWaalsContact CD1-CD1 3.48Å; Y204-L207 HydrophobicContact CD1-CG 3.92Å; Y204-L207 HydrophobicContact CE1-CD1 3.59Å; Y204-L207 HydrophobicContact CE1-CG 4.4Å; Y204-L207 WeakPolarHBondContact O-CB 2.87Å; Y204-L207 PolarHBondContact O-N 2.1Å; L207-K209 VanDerWaalsContact C-N 3.34Å
208K40.4Very low47.4Very low79 Ų7992.2 Ų92.234%0.34344%0.444SS..Hα-helixtrans-73.5-19.3175.1-81168.5165.9-171.30114.1Y204 E205 E206 F210 F384Y204-K208 PolarHBondContact O-N 2.63Å; E205-K208 VanDerWaalsContact CD-NZ 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.03Å; E205-K208 PolarHBondContact O-N 2.87Å; E205-K208 IonicContact OE1-NZ 3.77Å; E205-K208 PolarHBondContact OE1-NZ 2.65Å; E205-K208 WeakPolarHBondContact OE2-CD 3.38Å; E205-K208 IonicContact OE2-NZ 3.49Å; E205-K208 PolarHBondContact OE2-NZ 2.86Å; E206-K208 PolarHBondContact O-N 3.15Å; K208-F210 WeakPolarHBondContact O-CD2 3.46Å; K208-F210 PolarHBondContact O-N 2.76Å; K208-F384 HydrophobicContact CB-CD2 4.43Å; K208-F384 HydrophobicContact CB-CE2 3.68Å; K208-F384 HydrophobicContact CB-CZ 4.32Å; K208-F384 HydrophobicContact CD-CE1 4.46Å; K208-F384 HydrophobicContact CD-CE2 3.74Å; K208-F384 HydrophobicContact CD-CZ 3.51Å; K208-F384 HydrophobicContact CG-CE2 3.89Å; K208-F384 HydrophobicContact CG-CZ 4.09Å
209K46Very low47.8Very low106 Ų10690.6 Ų90.646%0.46143%0.434SS..SBendtrans-64.390.8163.5-68-179.7-174.2169.70106.6R92 E205 E206 L207 L211R92-K209 PolarHBondContact NH2-O 3.38Å; E205-K209 PolarHBondContact O-N 3.28Å; E206-K209 WeakPolarHBondContact O-CB 3.26Å; E206-K209 PolarHBondContact O-N 3.4Å; E206-K209 IonicContact OE1-NZ 2.88Å; E206-K209 PolarHBondContact OE1-NZ 2.66Å; L207-K209 VanDerWaalsContact C-N 3.34Å; K209-L211 PolarHBondContact O-N 2.83Å
210F49Very low48.3Very low49 Ų4986.7 Ų86.722%0.21541%0.413CS..  trans-53.5139.5177.5-81.8-79.3000108.3I117 K208 L212 Y378I117-F210 WeakPolarHBondContact O-CE1 3.45Å; K208-F210 WeakPolarHBondContact O-CD2 3.46Å; K208-F210 PolarHBondContact O-N 2.76Å; F210-L212 PolarHBondContact O-N 2.87Å; F210-L212 VanDerWaalsContact O-N 3.09Å; F210-Y378 HydrophobicContact CD1-CD1 4Å; F210-Y378 HydrophobicContact CD1-CG 4.3Å; F210-Y378 AromaticContact CE1-CD1 3.04Å; F210-Y378 HydrophobicContact CE1-CD1 3.04Å; F210-Y378 HydrophobicContact CE1-CD2 4.37Å; F210-Y378 AromaticContact CE1-CE1 3.58Å; F210-Y378 HydrophobicContact CE1-CE1 3.58Å; F210-Y378 AromaticContact CE1-CG 3.49Å; F210-Y378 HydrophobicContact CE1-CG 3.49Å; F210-Y378 VanDerWaalsContact CE1-CG 3.49Å; F210-Y378 AromaticContact CE2-CD1 3.99Å; F210-Y378 HydrophobicContact CE2-CD1 3.99Å; F210-Y378 HydrophobicContact CE2-CE1 4.12Å; F210-Y378 AromaticContact CZ-CD1 3.05Å; F210-Y378 HydrophobicContact CZ-CD1 3.05Å; F210-Y378 AromaticContact CZ-CE1 3.15Å; F210-Y378 HydrophobicContact CZ-CE1 3.15Å; F210-Y378 AromaticContact CZ-CG 3.98Å; F210-Y378 HydrophobicContact CZ-CG 3.98Å
211L53.2Low48.9Very low9 Ų982.1 Ų82.15%0.04739%0.393CS..  trans-30.6118.9166.5-126.580.2000109.1F88 L115 I117 K209 L213 V343F88-L211 HydrophobicContact CE2-CD1 4.24Å; F88-L211 HydrophobicContact CZ-CD1 3.55Å; F88-L211 HydrophobicContact CZ-CG 4.34Å; L115-L211 HydrophobicContact CD2-CD1 3.82Å; L115-L211 HydrophobicContact CD2-CD2 3.7Å; L115-L211 HydrophobicContact CD2-CG 4.29Å; L115-L211 HydrophobicContact CG-CD1 4.4Å; I117-L211 HydrophobicContact CG2-CD2 4.06Å; K209-L211 PolarHBondContact O-N 2.83Å; L211-L213 HydrophobicContact CB-CG 4.15Å; L211-L213 HydrophobicContact CD2-CD1 4.43Å; L211-L213 HydrophobicContact CD2-CD2 3.67Å; L211-L213 HydrophobicContact CD2-CG 4.06Å; L211-L213 PolarHBondContact O-N 2.89Å; L211-V343 HydrophobicContact CD1-CG2 4.03Å; L211-V343 HydrophobicContact CD2-CB 3.52Å; L211-V343 HydrophobicContact CD2-CG1 4.07Å; L211-V343 HydrophobicContact CD2-CG2 3.39Å; L211-V343 HydrophobicContact CG-CB 4.04Å; L211-V343 HydrophobicContact CG-CG2 3.49Å; L211-V343 VanDerWaalsContact CG-CG2 3.49Å
212L54.3Low50.1Low44 Ų4480.3 Ų80.323%0.2338%0.383CS..  trans-61.599.6162.8-78159.6000105.4F210 N214 E340 F342 V343 L381F210-L212 PolarHBondContact O-N 2.87Å; F210-L212 VanDerWaalsContact O-N 3.09Å; L212-N214 PolarHBondContact O-N 2.78Å; L212-E340 HydrophobicContact CD1-CB 3.23Å; L212-E340 HydrophobicContact CD1-CG 4.16Å; L212-E340 WeakPolarHBondContact CD1-OE2 3.38Å; L212-F342 HydrophobicContact CB-CB 3.8Å; L212-F342 VanDerWaalsContact O-CA 3.28Å; L212-F342 WeakPolarHBondContact O-CA 3.37Å; L212-F342 WeakPolarHBondContact O-CB 3.49Å; L212-V343 PolarHBondContact O-N 2.9Å; L212-V343 VanDerWaalsContact O-N 3.16Å; L212-L381 HydrophobicContact CD2-CD1 3.69Å; L212-L381 HydrophobicContact CD2-CD2 3.55Å; L212-L381 HydrophobicContact CD2-CG 4.06Å; L212-L381 HydrophobicContact CG-CD2 4.23Å
213L54.6Low51.7Low21 Ų2177.3 Ų77.311%0.1137%0.374CS..  trans-91.790166.4-72.7174000104.2L211 D215 V343 I365 L369L211-L213 HydrophobicContact CB-CG 4.15Å; L211-L213 HydrophobicContact CD2-CD1 4.43Å; L211-L213 HydrophobicContact CD2-CD2 3.67Å; L211-L213 HydrophobicContact CD2-CG 4.06Å; L211-L213 PolarHBondContact O-N 2.89Å; L213-D215 PolarHBondContact O-N 3.16Å; L213-V343 HydrophobicContact CD2-CB 4.13Å; L213-I365 HydrophobicContact CD1-CG2 4.16Å; L213-I365 HydrophobicContact CD2-CB 3.8Å; L213-I365 HydrophobicContact CD2-CG1 4.19Å; L213-I365 HydrophobicContact CD2-CG2 3.39Å; L213-I365 HydrophobicContact CG-CG2 4.34Å; L213-L369 HydrophobicContact CB-CD1 4.19Å; L213-L369 HydrophobicContact CB-CD2 3.45Å; L213-L369 VanDerWaalsContact CB-CD2 3.45Å; L213-L369 HydrophobicContact CB-CG 4.48Å; L213-L369 HydrophobicContact CD1-CD2 3.36Å; L213-L369 HydrophobicContact CD2-CD2 4.12Å; L213-L369 HydrophobicContact CG-CD2 3.78Å
214N53.3Low53.5Low38 Ų3871.8 Ų71.820%0.20334%0.344CS..  trans-69.1129.8-176.1-172.210.3000109.3L212 K216 F342L212-N214 PolarHBondContact O-N 2.78Å; N214-K216 VanDerWaalsContact C-N 3.26Å; N214-K216 PolarHBondContact O-N 3.09Å; N214-K216 PolarHBondContact OD1-N 3.45Å; N214-F342 HydrophobicContact CB-CB 3.99Å; N214-F342 HydrophobicContact CB-CD1 4.09Å; N214-F342 HydrophobicContact CB-CD2 3.63Å; N214-F342 HydrophobicContact CB-CE1 4.47Å; N214-F342 HydrophobicContact CB-CE2 4.04Å; N214-F342 HydrophobicContact CB-CG 3.65Å; N214-F342 HydrophobicContact CB-CZ 4.45Å
215D52.9Low55.2Low84 Ų8468.4 Ų68.445%0.44933%0.331SS..SBendtrans-77.6-12.7178.661-24.7000113.3L213 Y366L213-D215 PolarHBondContact O-N 3.16Å; D215-Y366 HydrophobicContact CB-CD2 3.98Å; D215-Y366 HydrophobicContact CB-CE2 3.48Å; D215-Y366 VanDerWaalsContact CB-CE2 3.48Å; D215-Y366 VanDerWaalsContact O-CE2 3.27Å; D215-Y366 WeakPolarHBondContact O-CE2 2.76Å
216K52.2Low57.3Low127 Ų12763.6 Ų63.655%0.55231%0.309SS*.  trans-117.653.3-170.4-66.2172.6-171.1178.40113.1N214 L218 Y224N214-K216 VanDerWaalsContact C-N 3.26Å; N214-K216 PolarHBondContact O-N 3.09Å; N214-K216 PolarHBondContact OD1-N 3.45Å; K216-L218 PolarHBondContact O-N 2.84Å; K216-Y224 PolarHBondContact O-OH 3.29Å
217L54.2Low59.5Low30 Ų3058.4 Ų58.416%0.15728%0.284CS..  trans-69.472.3152.6-104154.2000108I219 L255 L306 F342 A344L217-I219 PolarHBondContact O-N 3.39Å; L217-L255 HydrophobicContact CD2-CD1 3.78Å; L217-L306 HydrophobicContact CD1-CD1 3.96Å; L217-L306 HydrophobicContact CD2-CD2 4.5Å; L217-F342 HydrophobicContact CD1-CE2 3.82Å; L217-F342 HydrophobicContact CD1-CZ 4.49Å; L217-F342 HydrophobicContact CG-CE2 4.02Å; L217-F342 HydrophobicContact CG-CZ 4.25Å; L217-A344 HydrophobicContact CD1-CB 3.73Å
218L51.1Low61.9Low124 Ų12456.8 Ų56.865%0.64928%0.276SS*.  trans-62.4107.3158.3-73.1160.7000103.9K216 N220K216-L218 PolarHBondContact O-N 2.84Å; L218-N220 PolarHBondContact O-N 3.34Å
219I52.1Low64.3Low106 Ų10653 Ų5354%0.54426%0.259SS..  trans-67.171.1-178-53.5174.5000108.1L217 N221L217-I219 PolarHBondContact O-N 3.39Å; I219-N221 WeakPolarHBondContact CG2-OD1 2.96Å
220N54.6Low66.5Low78 Ų7848 Ų4842%0.41724%0.237SC..  trans-109.584.4158.5-168.6-4.2000106.3L218 Q222 Q223L218-N220 PolarHBondContact O-N 3.34Å; N220-Q222 PolarHBondContact O-N 2.98Å; N220-Q223 HydrophobicContact CB-CG 4.48Å; N220-Q223 PolarHBondContact O-N 3.38Å
221N58Low68.4Low37 Ų3745.6 Ų45.620%0.19823%0.227CC..G310 helixtrans-50.6-25.3-171.2-70.2-4000114.3I219 Q223 L255 E256 S257I219-N221 WeakPolarHBondContact CG2-OD1 2.96Å; N221-Q223 PolarHBondContact O-N 2.86Å; N221-L255 HydrophobicContact CB-CB 4.14Å; N221-E256 PolarHBondContact ND2-O 2.93Å; N221-S257 PolarHBondContact ND2-N 3Å
222Q61.5Low69.8Low156 Ų15645.2 Ų45.273%0.72923%0.225SC*.G310 helixtrans-77.6-6.2-178.8-65.5-164.3-27.200114.3N220 L331N220-Q222 PolarHBondContact O-N 2.98Å; Q222-L331 VanDerWaalsContact O-CD1 3.23Å; Q222-L331 WeakPolarHBondContact O-CD1 3.13Å
223Q76.2Confident70.7Confident93 Ų9345.5 Ų45.544%0.43523%0.225SC..G310 helixtrans-100.3-1.2-176.6-66.1-173.4-23.100114.1N220 N221 E330 L331N220-Q223 HydrophobicContact CB-CG 4.48Å; N220-Q223 PolarHBondContact O-N 3.38Å; N221-Q223 PolarHBondContact O-N 2.86Å; Q223-E330 CarbonylContact O-C 3.55Å; Q223-E330 WeakPolarHBondContact O-CA 3.02Å; Q223-L331 PolarHBondContact O-N 2.8Å
224Y81.5Confident71.2Confident7 Ų745.2 Ų45.23%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-123144-175.4-62.4-91.2000112.6K216 L255 C328 I329 E330 F342K216-Y224 PolarHBondContact O-OH 3.29Å; Y224-L255 HydrophobicContact CD2-CD1 4.12Å; Y224-L255 HydrophobicContact CG-CD1 4.14Å; Y224-C328 HydrophobicContact CD1-CB 4.48Å; Y224-I329 VanDerWaalsContact CA-O 3.32Å; Y224-I329 WeakPolarHBondContact CA-O 3.15Å; Y224-E330 HydrophobicContact CD1-CB 4.41Å; Y224-E330 HydrophobicContact CD1-CG 3.9Å; Y224-E330 HydrophobicContact CE1-CB 4.24Å; Y224-E330 HydrophobicContact CE1-CG 3.28Å; Y224-F342 HydrophobicContact CD1-CE1 4.12Å; Y224-F342 AromaticContact CD1-CZ 3.93Å; Y224-F342 HydrophobicContact CD1-CZ 3.93Å; Y224-F342 AromaticContact CE1-CE1 3.81Å; Y224-F342 HydrophobicContact CE1-CE1 3.81Å; Y224-F342 AromaticContact CE1-CZ 3.64Å; Y224-F342 HydrophobicContact CE1-CZ 3.64Å
225I83.4Confident71.5Confident3 Ų346.6 Ų46.62%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-113.3138.5161.4-173.6166.9000108.1F75 I79 F252 C328 I329 L331 Y334 W341F75-I225 HydrophobicContact CZ-CD1 4.3Å; I79-I225 HydrophobicContact CD1-CD1 3.73Å; I79-I225 HydrophobicContact CG2-CD1 4.16Å; I225-F252 HydrophobicContact CD1-CD1 3.59Å; I225-F252 HydrophobicContact CD1-CE1 3.65Å; I225-F252 HydrophobicContact CD1-CG 4.47Å; I225-F252 HydrophobicContact CG1-CD1 3.7Å; I225-F252 HydrophobicContact CG1-CE1 4.03Å; I225-C328 WeakPolarHBondContact O-CA 3.46Å; I225-I329 HydrophobicContact CG2-CG2 3.55Å; I225-I329 PolarHBondContact N-O 3.16Å; I225-I329 PolarHBondContact O-N 3.4Å; I225-L331 HydrophobicContact CB-CD2 3.73Å; I225-L331 HydrophobicContact CG2-CD2 3.86Å; I225-Y334 HydrophobicContact CD1-CE2 4.39Å; I225-Y334 HydrophobicContact CG2-CD2 3.43Å; I225-Y334 VanDerWaalsContact CG2-CD2 3.43Å; I225-Y334 HydrophobicContact CG2-CE2 3.75Å; I225-Y334 HydrophobicContact CG2-CG 4.46Å; I225-W341 HydrophobicContact CG2-CH2 4.35Å
226C88.9Confident71.6Confident0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-128.6155.1-176.4-540000111.6F252 V253 L326 L327 C328C226-F252 WeakPolarHBondContact O-CA 3.12Å; C226-V253 HydrophobicContact CB-CG2 3.95Å; C226-V253 WeakPolarHBondContact CB-O 3.07Å; C226-V253 PolarHBondContact N-O 2.99Å; C226-V253 VanDerWaalsContact N-O 3.12Å; C226-V253 PolarHBondContact O-N 2.84Å; C226-V253 VanDerWaalsContact O-O 3.11Å; C226-L326 HydrophobicContact CB-CD1 3.74Å; C226-L326 HydrophobicContact CB-CG 4.28Å; C226-L327 CarbonylContact C-O 3.4Å; C226-L327 WeakPolarHBondContact CA-O 3.47Å; C226-L327 VanDerWaalsContact CB-O 3.3Å; C226-L327 WeakPolarHBondContact CB-O 3.38Å; C226-C328 HydrophobicContact CB-CB 4.08Å; C226-C328 WeakPolarHBondContact CB-SG 3.46Å; C226-C328 WeakPolarHBondContact SG-CB 3.37Å; C226-C328 CovalentContact SG-SG 2.04Å; C226-C328 PolarHBondContact SG-SG 2.92Å
227I89.9Confident71.6Confident1 Ų144.5 Ų44.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-125.3130.3173.9-66.6168.3000108.1I81 L85 V250 A251 F252 L327 W341I81-I227 HydrophobicContact CB-CD1 4.48Å; I81-I227 HydrophobicContact CD1-CD1 3.75Å; I81-I227 HydrophobicContact CG1-CD1 3.75Å; I81-I227 HydrophobicContact CG2-CD1 3.9Å; L85-I227 HydrophobicContact CD2-CD1 3.59Å; I227-V250 HydrophobicContact CG2-CB 3.87Å; I227-V250 HydrophobicContact CG2-CG1 4.4Å; I227-A251 CarbonylContact C-O 3.53Å; I227-A251 VanDerWaalsContact CA-O 3.23Å; I227-A251 WeakPolarHBondContact CA-O 3.07Å; I227-F252 HydrophobicContact CD1-CD1 4.15Å; I227-F252 HydrophobicContact CD1-CE1 3.59Å; I227-F252 HydrophobicContact CD1-CZ 4.01Å; I227-F252 HydrophobicContact CG1-CD1 3.54Å; I227-F252 HydrophobicContact CG1-CE1 3.52Å; I227-F252 HydrophobicContact CG1-CG 4.33Å; I227-F252 HydrophobicContact CG1-CZ 4.28Å; I227-L327 PolarHBondContact N-O 3.2Å; I227-L327 PolarHBondContact O-N 2.97Å; I227-W341 HydrophobicContact CB-CZ3 4.19Å; I227-W341 HydrophobicContact CD1-CH2 3.37Å; I227-W341 HydrophobicContact CD1-CZ2 3.98Å; I227-W341 HydrophobicContact CD1-CZ3 3.77Å; I227-W341 HydrophobicContact CG1-CH2 3.75Å; I227-W341 HydrophobicContact CG1-CZ3 3.83Å
228V92.1Very high71.6Confident0 Ų045.1 Ų45.10%022%0.217CC..EExtended strand (participates in β ladder)trans-107.4146167.9650000110I21 V250 A251 V253 T317 P325 L326 Y362I21-V228 HydrophobicContact CD1-CG1 4.22Å; V228-V250 CarbonylContact O-C 3.39Å; V228-V250 VanDerWaalsContact O-CA 3.31Å; V228-V250 WeakPolarHBondContact O-CA 3.28Å; V228-A251 HydrophobicContact CG1-CB 4.03Å; V228-A251 PolarHBondContact N-O 2.82Å; V228-A251 PolarHBondContact O-N 3.36Å; V228-V253 HydrophobicContact CG1-CG1 4.01Å; V228-V253 HydrophobicContact CG1-CG2 4.44Å; V228-T317 HydrophobicContact CB-CG2 4.27Å; V228-T317 HydrophobicContact CG1-CG2 4.07Å; V228-T317 HydrophobicContact CG2-CG2 3.32Å; V228-P325 WeakPolarHBondContact CA-O 3.46Å; V228-L326 HydrophobicContact CB-CD1 4.1Å; V228-Y362 HydrophobicContact CB-CE1 4.32Å; V228-Y362 HydrophobicContact CG2-CE1 3.81Å
229S91.7Very high71.5Confident0 Ų045.1 Ų45.10%022%0.217CC..EExtended strand (participates in β ladder)trans-134.7148.9-178.671.20000112.5L89 H249 P325L89-S229 WeakPolarHBondContact CD2-OG 3.46Å; S229-H249 WeakPolarHBondContact CA-O 3.27Å; S229-P325 PolarHBondContact N-O 3.05Å; S229-P325 WeakPolarHBondContact OG-CD 3.38Å; S229-P325 WeakPolarHBondContact OG-CG 3.36Å
230G91.9Very high71.1Confident0 Ų048 Ų480%023%0.229CC..EExtended strand (participates in β ladder)trans-167.9175.1-179.800000113.4F248 H249 D321G230-F248 WeakPolarHBondContact O-CA 3.28Å; G230-F248 VanDerWaalsContact O-CD2 3.24Å; G230-F248 WeakPolarHBondContact O-CD2 3.34Å; G230-H249 PolarHBondContact N-O 2.82Å; G230-H249 PolarHBondContact O-N 2.72Å; G230-D321 VanDerWaalsContact CA-OD1 3.27Å; G230-D321 WeakPolarHBondContact CA-OD1 3.3Å
231V88.8Confident70.5Confident0 Ų048 Ų480%023%0.23CC..  trans-121.322.7169.7-63.20000110.1F93 H110 L144 P158 N246 F248F93-V231 HydrophobicContact CD1-CG1 4.34Å; F93-V231 HydrophobicContact CE1-CB 4.26Å; F93-V231 HydrophobicContact CE1-CG1 3.63Å; F93-V231 HydrophobicContact CE1-CG2 3.79Å; F93-V231 HydrophobicContact CZ-CG1 4.22Å; F93-V231 HydrophobicContact CZ-CG2 4.04Å; H110-V231 WeakPolarHBondContact CE1-CG2 3.46Å; H110-V231 WeakPolarHBondContact NE2-CG2 3.46Å; L144-V231 HydrophobicContact CD2-CG1 3.68Å; P158-V231 HydrophobicContact CG-CG2 4.17Å; V231-N246 HydrophobicContact CB-CB 4.18Å; V231-N246 WeakPolarHBondContact CB-O 3.41Å; V231-N246 WeakPolarHBondContact O-CA 3.44Å; V231-N246 WeakPolarHBondContact O-CB 3.42Å; V231-N246 VanDerWaalsContact O-CG 3.27Å; V231-N246 PolarHBondContact O-OD1 2.88Å; V231-F248 HydrophobicContact CG1-CB 4.04Å; V231-F248 HydrophobicContact CG1-CD2 3.82Å; V231-F248 HydrophobicContact CG1-CG 4.42Å
232G83.4Confident69.9Low1 Ų154.3 Ų54.31%0.0126%0.258CS..  trans-68.5-174.9-179.600000112.8L234 H249 Q319 D321G232-L234 PolarHBondContact O-N 3.05Å; G232-H249 PolarHBondContact O-NE2 3.26Å; G232-Q319 CarbonylContact C-O 3.16Å; G232-Q319 WeakPolarHBondContact CA-O 3.31Å; G232-D321 VanDerWaalsContact CA-OD1 3.23Å; G232-D321 WeakPolarHBondContact CA-OD1 3.47Å; G232-D321 PolarHBondContact N-OD1 2.99Å
233H73.2Confident69.1Low49 Ų4953.1 Ų53.123%0.22726%0.257CS..  trans-69.4132.8176.6-69-79.5000110.9N235 Q319H233-N235 PolarHBondContact O-N 2.88Å; H233-Q319 PolarHBondContact CD2-O 2.96Å; H233-Q319 PolarHBondContact N-O 2.83Å
234L64.7Low67.9Low16 Ų1649.6 Ų49.68%0.08424%0.243CC..SBendtrans-80.2-2.7173.7-63.9172.8000113.2V20 R26 G232 H249V20-L234 WeakPolarHBondContact CB-O 3.23Å; V20-L234 HydrophobicContact CG1-CB 4.06Å; V20-L234 HydrophobicContact CG1-CD2 3.92Å; V20-L234 WeakPolarHBondContact CG1-O 3.11Å; V20-L234 WeakPolarHBondContact CG2-O 3.28Å; R26-L234 HydrophobicContact CG-CD1 4.49Å; G232-L234 PolarHBondContact O-N 3.05Å; L234-H249 WeakPolarHBondContact CD2-CD2 3.48Å
235N59.4Low66.8Low67 Ų6751.7 Ų51.736%0.35825%0.254SS..SBendtrans-150.7129.5176.7-69.3-59.7000105.6H233 N238H233-N235 PolarHBondContact O-N 2.88Å; N235-N238 HydrophobicContact CB-CB 3.53Å; N235-N238 PolarHBondContact O-N 3.27Å
236Y54Low66.3Low22 Ų2253.4 Ų53.49%0.08626%0.263CS..THydrogen-bonded Turntrans-69.1151.7174.9153-80.5000111.6S15 I16 I17 Q18 N238 Q319S15-Y236 PolarHBondContact O-OH 3.18Å; I16-Y236 PolarHBondContact N-OH 3.16Å; I17-Y236 HydrophobicContact CB-CD2 3.35Å; I17-Y236 HydrophobicContact CB-CE2 3.09Å; I17-Y236 HydrophobicContact CB-CG 4.41Å; I17-Y236 HydrophobicContact CD1-CE2 4.09Å; I17-Y236 HydrophobicContact CG1-CD2 4.24Å; I17-Y236 HydrophobicContact CG1-CE2 3.56Å; I17-Y236 HydrophobicContact CG2-CD2 4.44Å; I17-Y236 HydrophobicContact CG2-CE2 4.49Å; I17-Y236 VanDerWaalsContact N-CE2 3.28Å; I17-Y236 PolarHBondContact N-OH 3.13Å; I17-Y236 WeakPolarHBondContact O-CD1 3.41Å; I17-Y236 WeakPolarHBondContact O-CD2 3.24Å; I17-Y236 WeakPolarHBondContact O-CE1 3.23Å; I17-Y236 WeakPolarHBondContact O-CE2 3.42Å; I17-Y236 PolarHBondContact O-OH 2.84Å; Q18-Y236 HydrophobicContact CB-CD1 3.89Å; Q18-Y236 HydrophobicContact CB-CG 3.86Å; Q18-Y236 VanDerWaalsContact CG-CB 3.42Å; Q18-Y236 HydrophobicContact CG-CD1 3.05Å; Q18-Y236 HydrophobicContact CG-CE1 3.78Å; Q18-Y236 HydrophobicContact CG-CG 3.47Å; Q18-Y236 VanDerWaalsContact CG-CG 3.47Å; Q18-Y236 VanDerWaalsContact NE2-C 3.32Å; Q18-Y236 VanDerWaalsContact NE2-CD1 3.29Å; Q18-Y236 PolarHBondContact NE2-O 3.21Å; Q18-Y236 VanDerWaalsContact OE1-CB 3.26Å; Y236-N238 PolarHBondContact O-N 3.44Å; Y236-Q319 VanDerWaalsContact CA-OE1 3.24Å; Y236-Q319 VanDerWaalsContact CB-OE1 3.23Å; Y236-Q319 VanDerWaalsContact CD2-CD 3.47Å; Y236-Q319 HydrophobicContact CD2-CG 4.4Å
237R53.2Low66.2Low144 Ų14453.9 Ų53.954%0.54327%0.265SS..THydrogen-bonded Turntrans49.97.4-177-79.7-176.6-170.3172.37.9114.8S15 I239S15-R237 PolarHBondContact O-NH2 2.87Å; R237-I239 PolarHBondContact O-N 2.86Å
238N53.8Low66.2Low43 Ų4353.9 Ų53.923%0.2327%0.265CS..  trans-82.758.1168.7-160.4-4000108.8N235 Y236 M240 N241N235-N238 HydrophobicContact CB-CB 3.53Å; N235-N238 PolarHBondContact O-N 3.27Å; Y236-N238 PolarHBondContact O-N 3.44Å; N238-M240 PolarHBondContact O-N 3.46Å; N238-N241 PolarHBondContact ND2-ND2 2.74Å; N238-N241 WeakPolarHBondContact OD1-CB 3.23Å; N238-N241 PolarHBondContact OD1-N 3.15Å
239I49.3Very low66Low125 Ų12553.9 Ų53.964%0.64127%0.265SS*.  trans-68.7-22.4175.9-57.7167.9000109.2R237R237-I239 PolarHBondContact O-N 2.86Å
240M43.8Very low65.8Low165 Ų16553.9 Ų53.981%0.81327%0.265SS*.SBendtrans-81.2-21.7-174.3-60.7-61.2-75.100113.9N238 E242N238-M240 PolarHBondContact O-N 3.46Å; M240-E242 PolarHBondContact O-N 2.79Å
241N42.6Very low65.6Low80 Ų8053.9 Ų53.943%0.42827%0.265SS..  trans-7976.1171.6-89-8.4000109.7N238 N243 S244N238-N241 PolarHBondContact ND2-ND2 2.74Å; N238-N241 WeakPolarHBondContact OD1-CB 3.23Å; N238-N241 PolarHBondContact OD1-N 3.15Å; N241-N243 PolarHBondContact O-N 3.46Å; N241-S244 PolarHBondContact O-N 3.28Å; N241-S244 PolarHBondContact O-OG 2.8Å
242E45.5Very low65.5Low169 Ų16953.9 Ų53.979%0.7927%0.265SS*.THydrogen-bonded Turntrans-51.4-24.4165.5-66.7-168.8158.700111.7M240M240-E242 PolarHBondContact O-N 2.79Å
243N44.5Very low65.7Low130 Ų13053.9 Ų53.970%0.69527%0.265SS*.THydrogen-bonded Turntrans-77.2-19.2178.6-70.6-23.8000114.8N241 N245N241-N243 PolarHBondContact O-N 3.46Å; N243-N245 PolarHBondContact O-N 2.97Å
244S50.1Low66.4Low20 Ų2052.4 Ų52.414%0.1426%0.258CS..SBendtrans-81.575.6166.567.80000107.3N241 N246N241-S244 PolarHBondContact O-N 3.28Å; N241-S244 PolarHBondContact O-OG 2.8Å; S244-N246 PolarHBondContact O-N 3.26Å
245N58.7Low67.5Low51 Ų5151.7 Ų51.727%0.27325%0.254SS..  trans-50.6141.2169.1-69.6-44.6000108.1N243 Y247N243-N245 PolarHBondContact O-N 2.97Å; N245-Y247 HydrophobicContact CB-CD1 4.12Å; N245-Y247 HydrophobicContact CB-CD2 4.22Å; N245-Y247 HydrophobicContact CB-CE1 3.66Å; N245-Y247 HydrophobicContact CB-CE2 3.81Å; N245-Y247 HydrophobicContact CB-CG 4.37Å; N245-Y247 PolarHBondContact ND2-OH 2.64Å; N245-Y247 WeakPolarHBondContact O-CD2 2.87Å; N245-Y247 PolarHBondContact O-N 3.39Å
246N73.4Confident68.7Low38 Ų3850.5 Ų50.520%0.20325%0.246CC..  trans-60.368.9174.1-70.2-18.4000110.5H110 V231 S244H110-N246 WeakPolarHBondContact CB-ND2 3.49Å; V231-N246 HydrophobicContact CB-CB 4.18Å; V231-N246 WeakPolarHBondContact CB-O 3.41Å; V231-N246 WeakPolarHBondContact O-CA 3.44Å; V231-N246 WeakPolarHBondContact O-CB 3.42Å; V231-N246 VanDerWaalsContact O-CG 3.27Å; V231-N246 PolarHBondContact O-OD1 2.88Å; S244-N246 PolarHBondContact O-N 3.26Å
247Y85.5Confident70Confident11 Ų1151.5 Ų51.54%0.04326%0.257CS..  trans-78.3141.7179.9-64.9-55.4000109H155 F156 I157 N245 H249H155-Y247 HydrophobicContact CB-CD1 3.27Å; H155-Y247 HydrophobicContact CB-CE1 3.53Å; H155-Y247 HydrophobicContact CB-CG 4.03Å; H155-Y247 AromaticContact CD2-CE1 3.93Å; H155-Y247 AromaticContact CG-CD1 3.68Å; H155-Y247 AromaticContact CG-CE1 3.71Å; F156-Y247 CarbonylContact O-C 3.54Å; F156-Y247 WeakPolarHBondContact O-CA 3.36Å; I157-Y247 HydrophobicContact CG2-CD1 3.33Å; I157-Y247 HydrophobicContact CG2-CE1 3.6Å; I157-Y247 HydrophobicContact CG2-CG 4.46Å; N245-Y247 HydrophobicContact CB-CD1 4.12Å; N245-Y247 HydrophobicContact CB-CD2 4.22Å; N245-Y247 HydrophobicContact CB-CE1 3.66Å; N245-Y247 HydrophobicContact CB-CE2 3.81Å; N245-Y247 HydrophobicContact CB-CG 4.37Å; N245-Y247 PolarHBondContact ND2-OH 2.64Å; N245-Y247 WeakPolarHBondContact O-CD2 2.87Å; N245-Y247 PolarHBondContact O-N 3.39Å; Y247-H249 PolarHBondContact O-CD2 2.75Å; Y247-H249 PolarHBondContact O-N 2.69Å
248F90.4Very high71.4Confident0 Ų045.4 Ų45.40%024%0.236CC..  trans-66.7131.1178.2-167.4-127000111.7L27 L89 L90 F93 L144 F156 G230 V231 V250L27-F248 HydrophobicContact CD1-CD1 3.46Å; L27-F248 VanDerWaalsContact CD1-CD1 3.46Å; L27-F248 HydrophobicContact CD1-CE1 3.64Å; L27-F248 PolarHBondContact N-O 3.37Å; L89-F248 HydrophobicContact CB-CE1 4.03Å; L89-F248 HydrophobicContact CB-CZ 3.93Å; L90-F248 HydrophobicContact CD2-CD1 3.52Å; L90-F248 HydrophobicContact CD2-CE1 3.85Å; L90-F248 HydrophobicContact CG-CD1 4.48Å; L90-F248 HydrophobicContact CG-CE1 4.38Å; F93-F248 HydrophobicContact CB-CE2 3.95Å; F93-F248 HydrophobicContact CB-CZ 4.09Å; F93-F248 HydrophobicContact CD1-CD2 4.09Å; F93-F248 AromaticContact CD1-CE2 3.9Å; F93-F248 HydrophobicContact CD1-CE2 3.9Å; F93-F248 HydrophobicContact CD2-CD2 4.48Å; F93-F248 AromaticContact CD2-CE2 3.6Å; F93-F248 HydrophobicContact CD2-CE2 3.6Å; F93-F248 HydrophobicContact CD2-CZ 4.3Å; F93-F248 HydrophobicContact CE1-CD2 4.33Å; F93-F248 HydrophobicContact CE1-CE2 4.33Å; F93-F248 HydrophobicContact CE2-CE2 4.06Å; F93-F248 HydrophobicContact CG-CD2 4.17Å; F93-F248 AromaticContact CG-CE2 3.51Å; F93-F248 HydrophobicContact CG-CE2 3.51Å; F93-F248 HydrophobicContact CG-CZ 4.15Å; F93-F248 HydrophobicContact CZ-CE2 4.4Å; L144-F248 HydrophobicContact CD1-CB 3.76Å; L144-F248 HydrophobicContact CD1-CD1 3.66Å; L144-F248 HydrophobicContact CD1-CD2 3.57Å; L144-F248 HydrophobicContact CD1-CE1 4.14Å; L144-F248 HydrophobicContact CD1-CE2 4.04Å; L144-F248 HydrophobicContact CD1-CG 3.37Å; L144-F248 HydrophobicContact CD1-CZ 4.31Å; F156-F248 HydrophobicContact CB-CB 3.82Å; F156-F248 PolarHBondContact O-N 3.48Å; G230-F248 WeakPolarHBondContact O-CA 3.28Å; G230-F248 VanDerWaalsContact O-CD2 3.24Å; G230-F248 WeakPolarHBondContact O-CD2 3.34Å; V231-F248 HydrophobicContact CG1-CB 4.04Å; V231-F248 HydrophobicContact CG1-CD2 3.82Å; V231-F248 HydrophobicContact CG1-CG 4.42Å; F248-V250 HydrophobicContact CE1-CG1 4.39Å; F248-V250 HydrophobicContact CZ-CG1 4.5Å
249H87.4Confident72.6Confident1 Ų144.9 Ų44.91%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-141.8154.2-177.556.766.5000111.2I21 Q25 R26 S229 G230 G232 L234 Y247 D321I21-H249 WeakPolarHBondContact CD1-CE1 3.46Å; I21-H249 WeakPolarHBondContact CD1-ND1 3.5Å; I21-H249 VanDerWaalsContact CG1-CE1 3.48Å; I21-H249 WeakPolarHBondContact CG1-CE1 3.14Å; I21-H249 WeakPolarHBondContact CG1-ND1 3.36Å; Q25-H249 WeakPolarHBondContact O-CA 3.4Å; R26-H249 HydrophobicContact CG-CB 4.45Å; S229-H249 WeakPolarHBondContact CA-O 3.27Å; G230-H249 PolarHBondContact N-O 2.82Å; G230-H249 PolarHBondContact O-N 2.72Å; G232-H249 PolarHBondContact O-NE2 3.26Å; L234-H249 WeakPolarHBondContact CD2-CD2 3.48Å; Y247-H249 PolarHBondContact O-CD2 2.75Å; Y247-H249 PolarHBondContact O-N 2.69Å; H249-D321 IonicContact CE1-OD1 3.39Å; H249-D321 PolarHBondContact CE1-OD1 2.74Å; H249-D321 IonicContact CE1-OD2 2.67Å; H249-D321 IonicContact NE2-OD1 3.98Å
250V88.4Confident74.2Confident0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-129.4146.7-179.9-58.90000110.5G24 Q25 L27 F37 I81 L89 I227 V228 F248G24-V250 CarbonylContact C-O 3.59Å; G24-V250 WeakPolarHBondContact CA-O 3.35Å; Q25-V250 PolarHBondContact N-O 3.34Å; Q25-V250 PolarHBondContact O-N 3.43Å; Q25-V250 VanDerWaalsContact O-N 3.09Å; L27-V250 HydrophobicContact CD1-CG1 4.08Å; F37-V250 HydrophobicContact CD1-CG2 4.45Å; F37-V250 HydrophobicContact CE1-CG2 3.54Å; F37-V250 HydrophobicContact CZ-CG2 4.28Å; I81-V250 HydrophobicContact CD1-CG2 3.95Å; L89-V250 HydrophobicContact CD1-CG1 3.83Å; I227-V250 HydrophobicContact CG2-CB 3.87Å; I227-V250 HydrophobicContact CG2-CG1 4.4Å; V228-V250 CarbonylContact O-C 3.39Å; V228-V250 VanDerWaalsContact O-CA 3.31Å; V228-V250 WeakPolarHBondContact O-CA 3.28Å; F248-V250 HydrophobicContact CE1-CG1 4.39Å; F248-V250 HydrophobicContact CZ-CG1 4.5Å
251A86.4Confident76Confident0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-135.1136.117600000112.4I21 I227 V228I21-A251 HydrophobicContact CB-CB 4.12Å; I21-A251 HydrophobicContact CD1-CB 3.77Å; I21-A251 HydrophobicContact CG1-CB 3.82Å; I21-A251 HydrophobicContact CG2-CB 3.37Å; I227-A251 CarbonylContact C-O 3.53Å; I227-A251 VanDerWaalsContact CA-O 3.23Å; I227-A251 WeakPolarHBondContact CA-O 3.07Å; V228-A251 HydrophobicContact CG1-CB 4.03Å; V228-A251 PolarHBondContact N-O 2.82Å; V228-A251 PolarHBondContact O-N 3.36Å
252F87.1Confident77.7Confident0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-69134.7162.7-74.6-70.3000110.9F75 F76 I79 I81 I225 C226 I227 G315 W341F75-F252 HydrophobicContact CE1-CB 3.91Å; F75-F252 HydrophobicContact CE1-CD2 4.32Å; F75-F252 HydrophobicContact CE1-CG 4.13Å; F76-F252 AromaticContact CD1-CD2 3.47Å; F76-F252 HydrophobicContact CD1-CD2 3.47Å; F76-F252 VanDerWaalsContact CD1-CD2 3.47Å; F76-F252 AromaticContact CD1-CE2 3.73Å; F76-F252 HydrophobicContact CD1-CE2 3.73Å; F76-F252 HydrophobicContact CD2-CD2 4.12Å; F76-F252 HydrophobicContact CE1-CB 4.48Å; F76-F252 AromaticContact CE1-CD2 3.32Å; F76-F252 HydrophobicContact CE1-CD2 3.32Å; F76-F252 AromaticContact CE1-CE2 3.91Å; F76-F252 HydrophobicContact CE1-CE2 3.91Å; F76-F252 HydrophobicContact CE1-CG 4.24Å; F76-F252 HydrophobicContact CE2-CB 4.18Å; F76-F252 AromaticContact CE2-CD2 3.96Å; F76-F252 HydrophobicContact CE2-CD2 3.96Å; F76-F252 AromaticContact CG-CD2 3.9Å; F76-F252 HydrophobicContact CG-CD2 3.9Å; F76-F252 HydrophobicContact CG-CE2 4.3Å; F76-F252 HydrophobicContact CZ-CB 3.95Å; F76-F252 AromaticContact CZ-CD2 3.61Å; F76-F252 HydrophobicContact CZ-CD2 3.61Å; F76-F252 HydrophobicContact CZ-CG 4.2Å; I79-F252 HydrophobicContact CB-CE2 4.25Å; I79-F252 HydrophobicContact CB-CZ 4.17Å; I79-F252 HydrophobicContact CG2-CE1 3.88Å; I79-F252 HydrophobicContact CG2-CE2 3.95Å; I79-F252 HydrophobicContact CG2-CZ 3.38Å; I81-F252 HydrophobicContact CD1-CE2 3.71Å; I81-F252 HydrophobicContact CD1-CZ 3.74Å; I81-F252 HydrophobicContact CG1-CE1 4.21Å; I81-F252 HydrophobicContact CG1-CE2 3.66Å; I81-F252 HydrophobicContact CG1-CZ 3.28Å; I225-F252 HydrophobicContact CD1-CD1 3.59Å; I225-F252 HydrophobicContact CD1-CE1 3.65Å; I225-F252 HydrophobicContact CD1-CG 4.47Å; I225-F252 HydrophobicContact CG1-CD1 3.7Å; I225-F252 HydrophobicContact CG1-CE1 4.03Å; C226-F252 WeakPolarHBondContact O-CA 3.12Å; I227-F252 HydrophobicContact CD1-CD1 4.15Å; I227-F252 HydrophobicContact CD1-CE1 3.59Å; I227-F252 HydrophobicContact CD1-CZ 4.01Å; I227-F252 HydrophobicContact CG1-CD1 3.54Å; I227-F252 HydrophobicContact CG1-CE1 3.52Å; I227-F252 HydrophobicContact CG1-CG 4.33Å; I227-F252 HydrophobicContact CG1-CZ 4.28Å; F252-G315 PolarHBondContact O-N 2.97Å; F252-W341 HydrophobicContact CE1-CH2 4.35Å
253V88.4Confident79.3Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-137.5141.7172.3-65.50000108.3C226 V228 A308 L326C226-V253 HydrophobicContact CB-CG2 3.95Å; C226-V253 WeakPolarHBondContact CB-O 3.07Å; C226-V253 PolarHBondContact N-O 2.99Å; C226-V253 VanDerWaalsContact N-O 3.12Å; C226-V253 PolarHBondContact O-N 2.84Å; C226-V253 VanDerWaalsContact O-O 3.11Å; V228-V253 HydrophobicContact CG1-CG1 4.01Å; V228-V253 HydrophobicContact CG1-CG2 4.44Å; V253-A308 HydrophobicContact CB-CB 4.04Å; V253-A308 HydrophobicContact CG2-CB 3.76Å; V253-L326 HydrophobicContact CG2-CD1 3.47Å; V253-L326 VanDerWaalsContact CG2-CD1 3.47Å
254H87.6Confident80.9Confident18 Ų1831.3 Ų31.38%0.08315%0.154CC..EExtended strand (participates in β ladder)trans-95.3143.3171.7-65.387.4000109.9F75 E256 A308 G309 R311 D314F75-H254 AromaticContact CE1-CE1 3.99Å; F75-H254 AromaticContact CZ-CE1 3.43Å; F75-H254 VanDerWaalsContact CZ-CE1 3.43Å; F75-H254 WeakPolarHBondContact CZ-CE1 3.48Å; F75-H254 AromaticContact CZ-NE2 3.76Å; H254-E256 PolarHBondContact O-N 3.48Å; H254-A308 CarbonylContact O-C 3.42Å; H254-A308 WeakPolarHBondContact O-CA 3.23Å; H254-A308 WeakPolarHBondContact O-CB 3.45Å; H254-G309 PolarHBondContact O-N 2.92Å; H254-R311 HydrophobicContact CB-CG 4.39Å; H254-R311 PolarHBondContact CD2-NH1 2.82Å; H254-D314 IonicContact CE1-OD1 2.6Å; H254-D314 PolarHBondContact CE1-OD1 3.26Å; H254-D314 IonicContact CG-OD1 3.59Å; H254-D314 PolarHBondContact N-OD1 2.67Å; H254-D314 PolarHBondContact N-OD2 3.44Å; H254-D314 IonicContact ND1-OD1 3.17Å; H254-D314 PolarHBondContact ND1-OD1 3.42Å; H254-D314 IonicContact ND1-OD2 3.76Å
255L87.6Confident82Confident1 Ų132.6 Ų32.61%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-63.1135.4169.5-63.7-177.6000109.4L217 N221 Y224 A308 L326L217-L255 HydrophobicContact CD2-CD1 3.78Å; N221-L255 HydrophobicContact CB-CB 4.14Å; Y224-L255 HydrophobicContact CD2-CD1 4.12Å; Y224-L255 HydrophobicContact CG-CD1 4.14Å; L255-A308 HydrophobicContact CD2-CB 4.06Å; L255-L326 HydrophobicContact CD2-CD2 4.34Å
256E85.3Confident82.6Confident42 Ų4233.7 Ų33.720%0.19616%0.163CC..EExtended strand (participates in β ladder)trans-135.8159.5-176-80.1-59.7137.200110.9N221 H254 C258 C307 G309 R311 P359N221-E256 PolarHBondContact ND2-O 2.93Å; H254-E256 PolarHBondContact O-N 3.48Å; E256-C258 PolarHBondContact O-N 3.23Å; E256-C307 PolarHBondContact N-O 3.24Å; E256-C307 VanDerWaalsContact O-O 3.14Å; E256-G309 VanDerWaalsContact CG-O 3.3Å; E256-G309 WeakPolarHBondContact CG-O 3.37Å; E256-R311 HydrophobicContact CG-CG 4.42Å; E256-R311 IonicContact OE1-CZ 3.75Å; E256-R311 IonicContact OE1-NE 2.74Å; E256-R311 PolarHBondContact OE1-NE 3.25Å; E256-R311 IonicContact OE1-NH2 3.44Å; E256-R311 PolarHBondContact OE1-NH2 2.82Å; E256-P359 HydrophobicContact CB-CB 4.06Å; E256-P359 HydrophobicContact CB-CG 4.22Å
257S81.9Confident82.5Confident43 Ų4336.8 Ų36.830%0.30118%0.179SC..  trans-68.1133.5169.6174.70000109.7N221 S259N221-S257 PolarHBondContact ND2-N 3Å; S257-S259 PolarHBondContact O-N 2.75Å; S257-S259 VanDerWaalsContact O-N 3.15Å; S257-S259 WeakPolarHBondContact OG-CB 3.4Å; S257-S259 PolarHBondContact OG-N 3.38Å; S257-S259 PolarHBondContact OG-OG 3.37Å
258C81.3Confident81.6Confident16 Ų1638 Ų3811%0.10819%0.188CC..THydrogen-bonded Turntrans-65.9-10.2172.6-65.60000114E256 K260 L261 W262 L292 C307E256-C258 PolarHBondContact O-N 3.23Å; C258-K260 VanDerWaalsContact C-N 3.33Å; C258-K260 PolarHBondContact O-N 3.21Å; C258-L261 WeakPolarHBondContact O-CB 3.22Å; C258-L261 PolarHBondContact O-N 3.26Å; C258-W262 WeakPolarHBondContact O-CB 3.16Å; C258-W262 PolarHBondContact O-N 2.89Å; C258-L292 HydrophobicContact CB-CD2 3.71Å; C258-C307 WeakPolarHBondContact CA-SG 3.15Å; C258-C307 HydrophobicContact CB-CB 3.94Å; C258-C307 WeakPolarHBondContact CB-SG 3.49Å; C258-C307 WeakPolarHBondContact SG-CB 3.37Å; C258-C307 CovalentContact SG-SG 2.02Å; C258-C307 PolarHBondContact SG-SG 3.06Å
259S80Confident80.3Confident32 Ų3241.4 Ų41.422%0.22421%0.208CC..Hα-helixtrans-56.7-40-17457.90000114S257 W262 K263S257-S259 PolarHBondContact O-N 2.75Å; S257-S259 VanDerWaalsContact O-N 3.15Å; S257-S259 WeakPolarHBondContact OG-CB 3.4Å; S257-S259 PolarHBondContact OG-N 3.38Å; S257-S259 PolarHBondContact OG-OG 3.37Å; S259-W262 PolarHBondContact O-N 3.01Å; S259-K263 WeakPolarHBondContact O-CG 3.35Å; S259-K263 PolarHBondContact O-N 3.36Å
260K82.4Confident78.9Confident111 Ų11146 Ų4648%0.48323%0.23SC..Hα-helixtrans-67.2-44178.9-67.8-177.9-175.2166.80112C258 W262 K264 G357 I358C258-K260 VanDerWaalsContact C-N 3.33Å; C258-K260 PolarHBondContact O-N 3.21Å; K260-W262 VanDerWaalsContact C-N 3.31Å; K260-K264 PolarHBondContact O-N 2.73Å; K260-G357 WeakPolarHBondContact CD-O 3.43Å; K260-I358 HydrophobicContact CB-CD1 4.36Å
261L82Confident77.4Confident3 Ų351 Ų512%0.01626%0.261CS..Hα-helixtrans-59.6-46.2173.6174.269.9000110.4C258 K264 L265 I351 I358 P359 I361C258-L261 WeakPolarHBondContact O-CB 3.22Å; C258-L261 PolarHBondContact O-N 3.26Å; L261-K264 WeakPolarHBondContact O-CA 3.44Å; L261-K264 WeakPolarHBondContact O-CB 2.84Å; L261-K264 PolarHBondContact O-N 3.09Å; L261-K264 VanDerWaalsContact O-N 3.1Å; L261-L265 HydrophobicContact CG-CD1 4.23Å; L261-L265 PolarHBondContact O-N 3.2Å; L261-I351 HydrophobicContact CD1-CB 4.11Å; L261-I351 HydrophobicContact CD1-CD1 3.67Å; L261-I351 HydrophobicContact CD1-CG1 3.71Å; L261-I358 HydrophobicContact CB-CG2 4.25Å; L261-I358 HydrophobicContact CD1-CG2 3.56Å; L261-P359 HydrophobicContact CB-CG 4.16Å; L261-P359 WeakPolarHBondContact CD1-O 3.13Å; L261-I361 HydrophobicContact CD2-CD1 3.68Å; L261-I361 HydrophobicContact CD2-CG1 3.3Å
262W76.8Confident75.9Confident28 Ų2856.1 Ų56.111%0.10628%0.283CS..Hα-helixtrans-63.9-46.4-177.4-168.8-103.7000112.9L180 C258 S259 K260 K264 L265 Q266 R289 L292 I293L180-W262 HydrophobicContact CD1-CH2 4.14Å; L180-W262 HydrophobicContact CD1-CZ3 4.01Å; L180-W262 HydrophobicContact CD2-CZ3 4.4Å; L180-W262 HydrophobicContact CG-CZ3 4.47Å; C258-W262 WeakPolarHBondContact O-CB 3.16Å; C258-W262 PolarHBondContact O-N 2.89Å; S259-W262 PolarHBondContact O-N 3.01Å; K260-W262 VanDerWaalsContact C-N 3.31Å; W262-K264 PolarHBondContact O-N 2.83Å; W262-L265 HydrophobicContact CE3-CD1 3.81Å; W262-L265 HydrophobicContact CZ3-CD1 3.86Å; W262-L265 PolarHBondContact O-N 2.8Å; W262-L265 VanDerWaalsContact O-N 3.11Å; W262-Q266 PolarHBondContact O-N 2.81Å; W262-R289 HydrophobicContact CH2-CB 4.44Å; W262-R289 HydrophobicContact CH2-CG 4.17Å; W262-R289 HydrophobicContact CZ2-CB 4.03Å; W262-R289 HydrophobicContact CZ2-CG 3.34Å; W262-R289 VanDerWaalsContact CZ2-NE 3.29Å; W262-L292 HydrophobicContact CD2-CD1 4.31Å; W262-L292 HydrophobicContact CE3-CD1 4.11Å; W262-L292 HydrophobicContact CG-CB 4.37Å; W262-I293 VanDerWaalsContact CD1-CG1 3.48Å
263K80.2Confident74.2Confident145 Ų14563 Ų6363%0.6332%0.315SS*.Hα-helixtrans-54.6-37.3172.6-74.8176.1-178.9-1770111.7S259 L267S259-K263 WeakPolarHBondContact O-CG 3.35Å; S259-K263 PolarHBondContact O-N 3.36Å; K263-L267 WeakPolarHBondContact O-CG 3.02Å; K263-L267 PolarHBondContact O-N 2.85Å
264K78.1Confident72.4Confident97 Ų9769.8 Ų69.842%0.42235%0.351SS..Hα-helixtrans-72.6-41.6177.6-168.967.4174.5-176.20112.5K260 L261 W262 Q266 L267 V268 I351 I358K260-K264 PolarHBondContact O-N 2.73Å; L261-K264 WeakPolarHBondContact O-CA 3.44Å; L261-K264 WeakPolarHBondContact O-CB 2.84Å; L261-K264 PolarHBondContact O-N 3.09Å; L261-K264 VanDerWaalsContact O-N 3.1Å; W262-K264 PolarHBondContact O-N 2.83Å; K264-Q266 VanDerWaalsContact C-N 3.35Å; K264-L267 PolarHBondContact O-N 2.87Å; K264-V268 WeakPolarHBondContact O-CG2 3.33Å; K264-V268 PolarHBondContact O-N 3.17Å; K264-I351 HydrophobicContact CB-CD1 3.8Å; K264-I351 HydrophobicContact CG-CD1 3.68Å; K264-I358 HydrophobicContact CB-CD1 4.08Å; K264-I358 HydrophobicContact CG-CD1 4.38Å
265L73.3Confident70.4Confident47 Ų4777.4 Ų77.425%0.24639%0.386CS..Hα-helixtrans-59.4-45175.8-78.8171.2000111.4L261 W262 L267 V268 T269 I351L261-L265 HydrophobicContact CG-CD1 4.23Å; L261-L265 PolarHBondContact O-N 3.2Å; W262-L265 HydrophobicContact CE3-CD1 3.81Å; W262-L265 HydrophobicContact CZ3-CD1 3.86Å; W262-L265 PolarHBondContact O-N 2.8Å; W262-L265 VanDerWaalsContact O-N 3.11Å; L265-L267 VanDerWaalsContact C-N 3.35Å; L265-L267 PolarHBondContact O-N 2.82Å; L265-V268 WeakPolarHBondContact O-CB 3.42Å; L265-V268 PolarHBondContact O-N 2.97Å; L265-T269 PolarHBondContact O-N 3.4Å; L265-T269 PolarHBondContact O-OG1 3.22Å; L265-I351 HydrophobicContact CB-CD1 4.25Å; L265-I351 HydrophobicContact CD2-CD1 3.49Å; L265-I351 VanDerWaalsContact CD2-CD1 3.49Å; L265-I351 HydrophobicContact CD2-CG1 3.39Å; L265-I351 HydrophobicContact CG-CD1 3.48Å; L265-I351 VanDerWaalsContact CG-CD1 3.48Å; L265-I351 HydrophobicContact CG-CG1 3.87Å
266Q71.4Confident68.3Low75 Ų7580.7 Ų80.735%0.3542%0.421SS..Hα-helixtrans-58.4-44.6-179.8-174.5176.6-17.500112.4W262 K264 V268 T269 E270W262-Q266 PolarHBondContact O-N 2.81Å; K264-Q266 VanDerWaalsContact C-N 3.35Å; Q266-V268 VanDerWaalsContact C-N 3.26Å; Q266-V268 PolarHBondContact O-N 2.97Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.24Å; Q266-T269 PolarHBondContact O-N 2.84Å; Q266-T269 PolarHBondContact O-OG1 3.28Å; Q266-E270 HydrophobicContact CG-CG 4.45Å; Q266-E270 VanDerWaalsContact CG-OE1 3.32Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.43Å; Q266-E270 PolarHBondContact NE2-OE1 2.78Å; Q266-E270 WeakPolarHBondContact O-CG 3.45Å; Q266-E270 PolarHBondContact O-N 2.87Å
267L70.1Confident66.5Low103 Ų10388 Ų8854%0.53945%0.454SS..Hα-helixtrans-62-33.9175.9-67.1169.1000112.5K263 K264 L265 T271K263-L267 WeakPolarHBondContact O-CG 3.02Å; K263-L267 PolarHBondContact O-N 2.85Å; K264-L267 PolarHBondContact O-N 2.87Å; L265-L267 VanDerWaalsContact C-N 3.35Å; L265-L267 PolarHBondContact O-N 2.82Å; L267-T271 WeakPolarHBondContact O-CG2 3.19Å; L267-T271 PolarHBondContact O-N 3.07Å; L267-T271 PolarHBondContact O-OG1 3.17Å
268V66.6Low65Low37 Ų3795 Ų9522%0.22448%0.483CS..Hα-helixtrans-75.4-33.6177.21760000111.3I16 K264 L265 Q266 T271 K272I16-V268 HydrophobicContact CD1-CG1 4.19Å; K264-V268 WeakPolarHBondContact O-CG2 3.33Å; K264-V268 PolarHBondContact O-N 3.17Å; L265-V268 WeakPolarHBondContact O-CB 3.42Å; L265-V268 PolarHBondContact O-N 2.97Å; Q266-V268 VanDerWaalsContact C-N 3.26Å; Q266-V268 PolarHBondContact O-N 2.97Å; V268-T271 PolarHBondContact O-OG1 3.16Å; V268-K272 WeakPolarHBondContact O-CG 3.37Å; V268-K272 PolarHBondContact O-N 2.81Å
269T62.9Low63.9Low71 Ų71101.6 Ų101.644%0.43651%0.512SS..Hα-helixtrans-74.8-41.7177.348.70000112.6L265 Q266 T271 K272 Q273L265-T269 PolarHBondContact O-N 3.4Å; L265-T269 PolarHBondContact O-OG1 3.22Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.24Å; Q266-T269 PolarHBondContact O-N 2.84Å; Q266-T269 PolarHBondContact O-OG1 3.28Å; T269-T271 VanDerWaalsContact C-N 3.26Å; T269-T271 PolarHBondContact O-N 3.06Å; T269-K272 PolarHBondContact O-N 2.02Å; T269-Q273 PolarHBondContact O-N 3.44Å
270E59.9Low62.9Low97 Ų97109.1 Ų109.145%0.45354%0.543SS..Hα-helixtrans-61.4-36178.3-73.8170.6-174.400111.6Q266 K272Q266-E270 HydrophobicContact CG-CG 4.45Å; Q266-E270 VanDerWaalsContact CG-OE1 3.32Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.43Å; Q266-E270 PolarHBondContact NE2-OE1 2.78Å; Q266-E270 WeakPolarHBondContact O-CG 3.45Å; Q266-E270 PolarHBondContact O-N 2.87Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.42Å
271T56.8Low62.2Low106 Ų106106.9 Ų106.965%0.6554%0.535SS*.Hα-helixtrans-69.7-27.6174.648.10000113.4L267 V268 T269L267-T271 WeakPolarHBondContact O-CG2 3.19Å; L267-T271 PolarHBondContact O-N 3.07Å; L267-T271 PolarHBondContact O-OG1 3.17Å; V268-T271 PolarHBondContact O-OG1 3.16Å; T269-T271 VanDerWaalsContact C-N 3.26Å; T269-T271 PolarHBondContact O-N 3.06Å
272K54.5Low61.4Low107 Ų107109.9 Ų109.947%0.46555%0.551SS.*Hα-helixtrans-84.2-29.9176.1-73.4-177.4178-175.80113.3S14 V268 T269 E270 N274 H275S14-K272 PolarHBondContact OG-NZ 2.93Å; V268-K272 WeakPolarHBondContact O-CG 3.37Å; V268-K272 PolarHBondContact O-N 2.81Å; T269-K272 PolarHBondContact O-N 2.02Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.42Å; K272-N274 PolarHBondContact O-N 2.77Å; K272-H275 PolarHBondContact O-N 3.1Å
273Q51.4Low61.4Low145 Ų145116 Ų11668%0.67858%0.58SS**THydrogen-bonded Turntrans-65.1-8-177-81.3-168.7-13.300114.7T269 H275T269-Q273 PolarHBondContact O-N 3.44Å; Q273-H275 PolarHBondContact O-N 3.49Å; Q273-H275 VanDerWaalsContact O-N 3.14Å
274N51.2Low60.9Low142 Ų142111.1 Ų111.176%0.75956%0.558SS**THydrogen-bonded Turntrans-64.4-7.8163.8-78.5-17.7000113.7K272K272-N274 PolarHBondContact O-N 2.77Å
275H45.1Very low60.5Low178 Ų178106.6 Ų106.682%0.82454%0.538SS*.SBendtrans-134.386.1173.1-76.9-60.1000113K272 Q273K272-H275 PolarHBondContact O-N 3.1Å; Q273-H275 PolarHBondContact O-N 3.49Å; Q273-H275 VanDerWaalsContact O-N 3.14Å
276G43Very low60.3Low70 Ų70106.6 Ų106.672%0.72254%0.541SS*.SBendtrans93.4130.7140.700000119.2
277Q48.1Very low60.4Low194 Ų194104.3 Ų104.391%0.90753%0.53SS*.  trans51.8105.6161.9-69.6-178.6-15.800118.7Q279Q277-Q279 PolarHBondContact O-N 2.83Å
278Q50.7Low60.5Low191 Ų19199.4 Ų99.489%0.89351%0.505SS*.  trans-65.2109.7164.3-71.2178.7-18.400109.3
279Q57.1Low60.7Low154 Ų154101.7 Ų101.772%0.7251%0.51SS*.  trans-75.8138.5163.7-78.4-179.7-22.400109.1Q277 E281Q277-Q279 PolarHBondContact O-N 2.83Å; Q279-E281 PolarHBondContact O-N 3.04Å
280E60.2Low61Low190 Ų190102.9 Ų102.989%0.88851%0.51SS*.  trans-62.2115.9174.4-155.9169.7-163.700108.8
281E65.8Low61.4Low64 Ų6499.6 Ų99.630%0.29950%0.498SS..  trans-91.8136.9-177.3-178.7167.3-135.100109.3Q279 E283 I285 R289Q279-E281 PolarHBondContact O-N 3.04Å; E281-E283 PolarHBondContact O-N 3.4Å; E281-I285 HydrophobicContact CG-CB 3.73Å; E281-I285 HydrophobicContact CG-CD1 4.05Å; E281-I285 HydrophobicContact CG-CG1 4.46Å; E281-I285 HydrophobicContact CG-CG2 3.95Å; E281-I285 WeakPolarHBondContact OE1-CG2 3.31Å; E281-R289 IonicContact OE1-CZ 3.16Å; E281-R289 IonicContact OE1-NH1 3.89Å; E281-R289 PolarHBondContact OE1-NH1 3.14Å; E281-R289 IonicContact OE1-NH2 2.67Å; E281-R289 PolarHBondContact OE1-NH2 3.1Å; E281-R289 IonicContact OE2-CZ 2.78Å; E281-R289 IonicContact OE2-NH1 3.32Å; E281-R289 PolarHBondContact OE2-NH1 3.07Å; E281-R289 IonicContact OE2-NH2 3.19Å; E281-R289 PolarHBondContact OE2-NH2 3.35Å
282N67.2Low61.8Low67 Ų6796 Ų9636%0.35847%0.474SS..  trans-62.5136176.4-73.9-46.9000110.2Q178 W284 I285 T286Q178-N282 PolarHBondContact NE2-ND2 3.4Å; Q178-N282 PolarHBondContact OE1-ND2 2.89Å; N282-W284 HydrophobicContact CB-CG 4.45Å; N282-W284 HydrophobicContact CB-CZ2 4.48Å; N282-W284 PolarHBondContact O-N 3.06Å; N282-W284 VanDerWaalsContact O-N 3.12Å; N282-I285 HydrophobicContact CB-CD1 4Å; N282-I285 HydrophobicContact CB-CG1 4.24Å; N282-I285 WeakPolarHBondContact O-CA 3.33Å; N282-I285 WeakPolarHBondContact O-CB 3.46Å; N282-I285 PolarHBondContact O-N 2.85Å; N282-T286 PolarHBondContact O-N 3.25Å
283E75.1Confident62.3Low155 Ų15595 Ų9572%0.72447%0.473SS*.Hα-helixtrans-50.6-41.5-176.8-175.9-177.3179.200113.1E281 I285 T286 I287E281-E283 PolarHBondContact O-N 3.4Å; E283-I285 PolarHBondContact O-N 3.24Å; E283-T286 WeakPolarHBondContact O-CB 3.38Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 VanDerWaalsContact O-N 3.11Å; E283-I287 HydrophobicContact CG-CD1 4.41Å; E283-I287 WeakPolarHBondContact O-CG1 3.39Å; E283-I287 PolarHBondContact O-N 2.88Å
284W71Confident62.9Low43 Ų4392.6 Ų92.616%0.16347%0.465CS..Hα-helixtrans-65.1-25.1179.566.6-101.9000113L180 N282 I287 C288 P302 F303L180-W284 HydrophobicContact CB-CZ3 4.28Å; L180-W284 WeakPolarHBondContact O-CH2 3.32Å; L180-W284 WeakPolarHBondContact O-CZ3 3.36Å; N282-W284 HydrophobicContact CB-CG 4.45Å; N282-W284 HydrophobicContact CB-CZ2 4.48Å; N282-W284 PolarHBondContact O-N 3.06Å; N282-W284 VanDerWaalsContact O-N 3.12Å; W284-I287 PolarHBondContact O-N 2.76Å; W284-C288 WeakPolarHBondContact O-CB 3.45Å; W284-C288 PolarHBondContact O-N 3.2Å; W284-C288 PolarHBondContact O-SG 2.78Å; W284-P302 HydrophobicContact CB-CG 4.12Å; W284-F303 HydrophobicContact CB-CE2 4.35Å; W284-F303 AromaticContact CD2-CD2 3.69Å; W284-F303 HydrophobicContact CD2-CD2 3.69Å; W284-F303 AromaticContact CD2-CE2 3.35Å; W284-F303 HydrophobicContact CD2-CE2 3.35Å; W284-F303 AromaticContact CE2-CE2 3.71Å; W284-F303 AromaticContact CE3-CD2 3.29Å; W284-F303 HydrophobicContact CE3-CD2 3.29Å; W284-F303 AromaticContact CE3-CE2 3.52Å; W284-F303 HydrophobicContact CE3-CE2 3.52Å; W284-F303 HydrophobicContact CG-CD2 4.4Å; W284-F303 AromaticContact CG-CE2 3.72Å; W284-F303 HydrophobicContact CG-CE2 3.72Å; W284-F303 HydrophobicContact CH2-CD2 4.21Å; W284-F303 HydrophobicContact CH2-CE2 4.48Å; W284-F303 HydrophobicContact CZ2-CD2 4.45Å; W284-F303 HydrophobicContact CZ2-CE2 4.27Å; W284-F303 AromaticContact CZ3-CD2 3.58Å; W284-F303 HydrophobicContact CZ3-CD2 3.58Å; W284-F303 HydrophobicContact CZ3-CE2 4.09Å
285I68.3Low63.2Low2 Ų292.2 Ų92.21%0.0146%0.463CS..Hα-helixtrans-71.3-41.6174.5-62168.6000109.8Q178 L180 E281 N282 E283 I287 C288 R289Q178-I285 HydrophobicContact CB-CD1 3.51Å; Q178-I285 HydrophobicContact CG-CD1 3.5Å; L180-I285 HydrophobicContact CB-CG2 4.1Å; L180-I285 HydrophobicContact CD1-CG2 3.87Å; L180-I285 HydrophobicContact CG-CG2 4.42Å; E281-I285 HydrophobicContact CG-CB 3.73Å; E281-I285 HydrophobicContact CG-CD1 4.05Å; E281-I285 HydrophobicContact CG-CG1 4.46Å; E281-I285 HydrophobicContact CG-CG2 3.95Å; E281-I285 WeakPolarHBondContact OE1-CG2 3.31Å; N282-I285 HydrophobicContact CB-CD1 4Å; N282-I285 HydrophobicContact CB-CG1 4.24Å; N282-I285 WeakPolarHBondContact O-CA 3.33Å; N282-I285 WeakPolarHBondContact O-CB 3.46Å; N282-I285 PolarHBondContact O-N 2.85Å; E283-I285 PolarHBondContact O-N 3.24Å; I285-I287 VanDerWaalsContact C-N 3.27Å; I285-I287 PolarHBondContact O-N 3.29Å; I285-C288 PolarHBondContact O-N 3.45Å; I285-C288 VanDerWaalsContact O-N 3.17Å; I285-R289 VanDerWaalsContact O-CB 3.26Å; I285-R289 WeakPolarHBondContact O-CB 3.37Å; I285-R289 PolarHBondContact O-N 2.88Å
286T71Confident63.6Low48 Ų4888.9 Ų88.929%0.29446%0.459SS..Hα-helixtrans-58.4-44.5174-49.50000110.2N282 E283 C288 R289 Q290N282-T286 PolarHBondContact O-N 3.25Å; E283-T286 WeakPolarHBondContact O-CB 3.38Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 VanDerWaalsContact O-N 3.11Å; T286-C288 PolarHBondContact O-N 3.21Å; T286-R289 PolarHBondContact O-N 3.28Å; T286-Q290 WeakPolarHBondContact O-CB 3.3Å; T286-Q290 WeakPolarHBondContact O-CG 3.32Å; T286-Q290 PolarHBondContact O-N 3.3Å; T286-Q290 PolarHBondContact O-OE1 3.29Å
287I72Confident63.9Low26 Ų2688.2 Ų88.213%0.13344%0.439CS..Hα-helixtrans-59.6-47.7173.7-64.2170.5000111E283 W284 I285 R289 Q290 S291 Q299E283-I287 HydrophobicContact CG-CD1 4.41Å; E283-I287 WeakPolarHBondContact O-CG1 3.39Å; E283-I287 PolarHBondContact O-N 2.88Å; W284-I287 PolarHBondContact O-N 2.76Å; I285-I287 VanDerWaalsContact C-N 3.27Å; I285-I287 PolarHBondContact O-N 3.29Å; I287-R289 PolarHBondContact O-N 2.92Å; I287-Q290 PolarHBondContact O-N 3.35Å; I287-S291 VanDerWaalsContact O-CB 3.27Å; I287-S291 WeakPolarHBondContact O-CB 3.48Å; I287-S291 PolarHBondContact O-N 3.48Å; I287-Q299 HydrophobicContact CG2-CB 4.21Å
288C72.2Confident64Low0 Ų085.2 Ų85.20%044%0.439CS..Hα-helixtrans-62.4-43.4179.3-74.50000112.6L180 W284 I285 T286 S291 L292 C301 Y305L180-C288 HydrophobicContact CD1-CB 4.27Å; W284-C288 WeakPolarHBondContact O-CB 3.45Å; W284-C288 PolarHBondContact O-N 3.2Å; W284-C288 PolarHBondContact O-SG 2.78Å; I285-C288 PolarHBondContact O-N 3.45Å; I285-C288 VanDerWaalsContact O-N 3.17Å; T286-C288 PolarHBondContact O-N 3.21Å; C288-S291 PolarHBondContact O-N 2.87Å; C288-L292 VanDerWaalsContact O-CG 3.26Å; C288-L292 WeakPolarHBondContact O-CG 3.48Å; C288-L292 PolarHBondContact O-N 3.34Å; C288-L292 VanDerWaalsContact O-N 3.09Å; C288-C301 HydrophobicContact CB-CB 3.82Å; C288-C301 WeakPolarHBondContact CB-SG 3.39Å; C288-C301 WeakPolarHBondContact SG-CB 3.27Å; C288-C301 CovalentContact SG-SG 2.04Å; C288-C301 PolarHBondContact SG-SG 2.96Å; C288-Y305 HydrophobicContact CB-CE2 4.1Å
289R71.3Confident64Low86 Ų8681.7 Ų81.733%0.32542%0.423SS..Hα-helixtrans-60.1-48.1175.4170.3174.9-53.9152.90.2111.4W262 E281 I285 T286 I287 L292 I293W262-R289 HydrophobicContact CH2-CB 4.44Å; W262-R289 HydrophobicContact CH2-CG 4.17Å; W262-R289 HydrophobicContact CZ2-CB 4.03Å; W262-R289 HydrophobicContact CZ2-CG 3.34Å; W262-R289 VanDerWaalsContact CZ2-NE 3.29Å; E281-R289 IonicContact OE1-CZ 3.16Å; E281-R289 IonicContact OE1-NH1 3.89Å; E281-R289 PolarHBondContact OE1-NH1 3.14Å; E281-R289 IonicContact OE1-NH2 2.67Å; E281-R289 PolarHBondContact OE1-NH2 3.1Å; E281-R289 IonicContact OE2-CZ 2.78Å; E281-R289 IonicContact OE2-NH1 3.32Å; E281-R289 PolarHBondContact OE2-NH1 3.07Å; E281-R289 IonicContact OE2-NH2 3.19Å; E281-R289 PolarHBondContact OE2-NH2 3.35Å; I285-R289 VanDerWaalsContact O-CB 3.26Å; I285-R289 WeakPolarHBondContact O-CB 3.37Å; I285-R289 PolarHBondContact O-N 2.88Å; T286-R289 PolarHBondContact O-N 3.28Å; I287-R289 PolarHBondContact O-N 2.92Å; R289-L292 PolarHBondContact O-N 3.19Å; R289-I293 HydrophobicContact CG-CD1 4.31Å; R289-I293 WeakPolarHBondContact O-CG1 3.42Å; R289-I293 PolarHBondContact O-N 3.21Å
290Q68.9Low64.2Low96 Ų9682.1 Ų82.145%0.44942%0.422SS..Hα-helixtrans-66.3-41.5179.1-79.4166.7-23.900111.4T286 I287 L292 I293 D294 I297T286-Q290 WeakPolarHBondContact O-CB 3.3Å; T286-Q290 WeakPolarHBondContact O-CG 3.32Å; T286-Q290 PolarHBondContact O-N 3.3Å; T286-Q290 PolarHBondContact O-OE1 3.29Å; I287-Q290 PolarHBondContact O-N 3.35Å; Q290-L292 PolarHBondContact O-N 2.9Å; Q290-I293 PolarHBondContact O-N 3.15Å; Q290-I293 VanDerWaalsContact O-N 3.08Å; Q290-D294 PolarHBondContact O-N 3.31Å; Q290-I297 HydrophobicContact CB-CD1 3.46Å; Q290-I297 VanDerWaalsContact CB-CD1 3.46Å; Q290-I297 WeakPolarHBondContact O-CD1 3.45Å
291S67.6Low64.4Low27 Ų2773.6 Ų73.619%0.18938%0.384CS..Hα-helixtrans-59.8-31.5176.2177.60000112.6I287 C288 N295I287-S291 VanDerWaalsContact O-CB 3.27Å; I287-S291 WeakPolarHBondContact O-CB 3.48Å; I287-S291 PolarHBondContact O-N 3.48Å; C288-S291 PolarHBondContact O-N 2.87Å; S291-N295 PolarHBondContact O-N 3.24Å
292L65.9Low64.2Low31 Ų3174 Ų7416%0.16239%0.391CS..Hα-helixtrans-76-28.3176.7-73.8169.6000113.6C258 W262 C288 R289 Q290 Y305C258-L292 HydrophobicContact CB-CD2 3.71Å; W262-L292 HydrophobicContact CD2-CD1 4.31Å; W262-L292 HydrophobicContact CE3-CD1 4.11Å; W262-L292 HydrophobicContact CG-CB 4.37Å; C288-L292 VanDerWaalsContact O-CG 3.26Å; C288-L292 WeakPolarHBondContact O-CG 3.48Å; C288-L292 PolarHBondContact O-N 3.34Å; C288-L292 VanDerWaalsContact O-N 3.09Å; R289-L292 PolarHBondContact O-N 3.19Å; Q290-L292 PolarHBondContact O-N 2.9Å; L292-Y305 HydrophobicContact CD1-CD2 4.48Å
293I66Low64.2Low85 Ų8572 Ų7244%0.43638%0.38SS..Hα-helixtrans-80.8-50.5178.8-66.7168.1000109.9W262 R289 Q290W262-I293 VanDerWaalsContact CD1-CG1 3.48Å; R289-I293 HydrophobicContact CG-CD1 4.31Å; R289-I293 WeakPolarHBondContact O-CG1 3.42Å; R289-I293 PolarHBondContact O-N 3.21Å; Q290-I293 PolarHBondContact O-N 3.15Å; Q290-I293 VanDerWaalsContact O-N 3.08Å
294D63.4Low64.2Low95 Ų9566 Ų6651%0.50836%0.355SS..Hα-helixtrans-90-13.1-164.3-90.4-20.6000114.4Q290 S296 I297Q290-D294 PolarHBondContact O-N 3.31Å; D294-S296 VanDerWaalsContact O-CB 3.24Å; D294-S296 WeakPolarHBondContact O-CB 3.31Å; D294-S296 PolarHBondContact O-N 2.8Å; D294-S296 PolarHBondContact O-OG 2.82Å; D294-I297 HydrophobicContact CB-CD1 4.02Å; D294-I297 HydrophobicContact CB-CG1 3.77Å
295N56.9Low64.6Low135 Ų13565.2 Ų65.272%0.72235%0.352SS*.SBendtrans49-0.8-174-83.3-12.2000115.7S291S291-N295 PolarHBondContact O-N 3.24Å
296S53.2Low65.4Low107 Ų10765.6 Ų65.675%0.74835%0.354SS*.  trans-1280.6-161.4-46.20000112.7D294D294-S296 VanDerWaalsContact O-CB 3.24Å; D294-S296 WeakPolarHBondContact O-CB 3.31Å; D294-S296 PolarHBondContact O-N 2.8Å; D294-S296 PolarHBondContact O-OG 2.82Å
297I49.4Very low66.2Low57 Ų5763.5 Ų63.529%0.29234%0.341SS..  trans-76.9130.9-173.6-60.1-173.6000110.1Q290 D294 Q299Q290-I297 HydrophobicContact CB-CD1 3.46Å; Q290-I297 VanDerWaalsContact CB-CD1 3.46Å; Q290-I297 WeakPolarHBondContact O-CD1 3.45Å; D294-I297 HydrophobicContact CB-CD1 4.02Å; D294-I297 HydrophobicContact CB-CG1 3.77Å; I297-Q299 HydrophobicContact CG2-CB 4.01Å; I297-Q299 PolarHBondContact O-N 3.45Å
298S50.9Low67.1Low130 Ų13062.2 Ų62.291%0.90934%0.335SS*.SBendtrans-61-29175.852.30000113.2
299Q51.2Low67.8Low118 Ų11862.2 Ų62.255%0.55134%0.335SS*.SBendtrans-89.8100.4173.1-123.21731.200110.8I287 I297I287-Q299 HydrophobicContact CG2-CB 4.21Å; I297-Q299 HydrophobicContact CG2-CB 4.01Å; I297-Q299 PolarHBondContact O-N 3.45Å
300K61.7Low68.4Low162 Ų16258.5 Ų58.570%0.70432%0.323SS*.  trans-71.4134.4176.9-163.9174.4-176.9179.40109.8P302K300-P302 VanDerWaalsContact O-N 3.13Å
301C64.5Low69.1Low12 Ų1257.8 Ų57.88%0.08132%0.316CS..  trans-47.7120171.6174.30000110.4C288 F303 S304 Y305C288-C301 HydrophobicContact CB-CB 3.82Å; C288-C301 WeakPolarHBondContact CB-SG 3.39Å; C288-C301 WeakPolarHBondContact SG-CB 3.27Å; C288-C301 CovalentContact SG-SG 2.04Å; C288-C301 PolarHBondContact SG-SG 2.96Å; C301-F303 VanDerWaalsContact C-N 3.27Å; C301-F303 PolarHBondContact O-N 2.9Å; C301-S304 PolarHBondContact O-N 2.92Å; C301-S304 PolarHBondContact SG-N 3.19Å; C301-S304 VanDerWaalsContact SG-N 3.43Å; C301-Y305 WeakPolarHBondContact SG-CE2 3.49Å
302P60.7Low69.6Low71 Ų7160.7 Ų60.746%0.46132%0.324SS..SBendtrans-66.4-30.6-170.922.4-32.8000113.1W284 K300W284-P302 HydrophobicContact CB-CG 4.12Å; K300-P302 VanDerWaalsContact O-N 3.13Å
303F67.5Low70.1Confident25 Ų2561 Ų6111%0.1133%0.327CS..SBendtrans-94-22.2-174.3-61.6-53.6000113.5N173 P182 W284 C301 Y368N173-F303 HydrophobicContact CB-CE1 4.37Å; N173-F303 HydrophobicContact CB-CZ 4.02Å; N173-F303 WeakPolarHBondContact ND2-CE1 3.46Å; N173-F303 WeakPolarHBondContact ND2-CZ 2.94Å; P182-F303 HydrophobicContact CB-CD1 4.46Å; P182-F303 HydrophobicContact CG-CB 3.96Å; P182-F303 HydrophobicContact CG-CD1 3.32Å; P182-F303 HydrophobicContact CG-CD2 3.86Å; P182-F303 HydrophobicContact CG-CE1 3.78Å; P182-F303 HydrophobicContact CG-CE2 4.26Å; P182-F303 HydrophobicContact CG-CG 3.39Å; P182-F303 HydrophobicContact CG-CZ 4.24Å; W284-F303 HydrophobicContact CB-CE2 4.35Å; W284-F303 AromaticContact CD2-CD2 3.69Å; W284-F303 HydrophobicContact CD2-CD2 3.69Å; W284-F303 AromaticContact CD2-CE2 3.35Å; W284-F303 HydrophobicContact CD2-CE2 3.35Å; W284-F303 AromaticContact CE2-CE2 3.71Å; W284-F303 AromaticContact CE3-CD2 3.29Å; W284-F303 HydrophobicContact CE3-CD2 3.29Å; W284-F303 AromaticContact CE3-CE2 3.52Å; W284-F303 HydrophobicContact CE3-CE2 3.52Å; W284-F303 HydrophobicContact CG-CD2 4.4Å; W284-F303 AromaticContact CG-CE2 3.72Å; W284-F303 HydrophobicContact CG-CE2 3.72Å; W284-F303 HydrophobicContact CH2-CD2 4.21Å; W284-F303 HydrophobicContact CH2-CE2 4.48Å; W284-F303 HydrophobicContact CZ2-CD2 4.45Å; W284-F303 HydrophobicContact CZ2-CE2 4.27Å; W284-F303 AromaticContact CZ3-CD2 3.58Å; W284-F303 HydrophobicContact CZ3-CD2 3.58Å; W284-F303 HydrophobicContact CZ3-CE2 4.09Å; C301-F303 VanDerWaalsContact C-N 3.27Å; C301-F303 PolarHBondContact O-N 2.9Å; F303-Y368 VanDerWaalsContact CB-OH 3.3Å; F303-Y368 WeakPolarHBondContact CB-OH 3.24Å; F303-Y368 HydrophobicContact CD1-CE1 4.17Å; F303-Y368 PolarHBondContact O-OH 2.83Å
304S74.2Confident71Confident30 Ų3056.9 Ų56.921%0.2131%0.306CS..  trans49.3154.7-178.266.80000115.4C301 P364 P367C301-S304 PolarHBondContact O-N 2.92Å; C301-S304 PolarHBondContact SG-N 3.19Å; C301-S304 VanDerWaalsContact SG-N 3.43Å; S304-P364 WeakPolarHBondContact O-CD 3.33Å; S304-P364 WeakPolarHBondContact O-CG 3.47Å; S304-P364 WeakPolarHBondContact OG-CG 3.35Å; S304-P367 WeakPolarHBondContact OG-CG 3.49Å
305Y81Confident71.8Confident26 Ų2652.4 Ų52.410%0.10228%0.282CS..  trans-133.8150.1174.3-47.2-82.4000108.7L180 C288 L292 C301 I361L180-Y305 HydrophobicContact CB-CE1 4.26Å; L180-Y305 HydrophobicContact CB-CE2 4.37Å; L180-Y305 WeakPolarHBondContact CB-OH 3.23Å; L180-Y305 HydrophobicContact CD2-CD1 4.4Å; L180-Y305 HydrophobicContact CD2-CD2 4.19Å; L180-Y305 HydrophobicContact CD2-CE1 4.05Å; L180-Y305 HydrophobicContact CD2-CE2 3.82Å; L180-Y305 HydrophobicContact CD2-CG 4.5Å; L180-Y305 WeakPolarHBondContact O-CE1 2.99Å; L180-Y305 VanDerWaalsContact O-CZ 3.3Å; L180-Y305 PolarHBondContact O-OH 2.81Å; C288-Y305 HydrophobicContact CB-CE2 4.1Å; L292-Y305 HydrophobicContact CD1-CD2 4.48Å; C301-Y305 WeakPolarHBondContact SG-CE2 3.49Å; Y305-I361 HydrophobicContact CD1-CG2 4.09Å; Y305-I361 HydrophobicContact CG-CG2 4.43Å
306L85.1Confident73Confident11 Ų1146 Ų466%0.05825%0.248CC..EExtended strand (participates in β ladder)trans-103.8139.7165.7-63.6171.9000107.7L217 A344 Y362 P364L217-L306 HydrophobicContact CD1-CD1 3.96Å; L217-L306 HydrophobicContact CD2-CD2 4.5Å; L306-A344 HydrophobicContact CD1-CB 4.23Å; L306-A344 WeakPolarHBondContact CD1-O 3.19Å; L306-Y362 PolarHBondContact N-O 3.46Å; L306-Y362 PolarHBondContact O-N 3.04Å; L306-P364 HydrophobicContact CD1-CB 3.81Å; L306-P364 HydrophobicContact CG-CB 3.85Å; L306-P364 HydrophobicContact CG-CG 4.44Å
307C87.4Confident74.4Confident3 Ų341.5 Ų41.52%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-114.3137.2166.4-69.30000109.2E256 C258 P359 S360E256-C307 PolarHBondContact N-O 3.24Å; E256-C307 VanDerWaalsContact O-O 3.14Å; C258-C307 WeakPolarHBondContact CA-SG 3.15Å; C258-C307 HydrophobicContact CB-CB 3.94Å; C258-C307 WeakPolarHBondContact CB-SG 3.49Å; C258-C307 WeakPolarHBondContact SG-CB 3.37Å; C258-C307 CovalentContact SG-SG 2.02Å; C258-C307 PolarHBondContact SG-SG 3.06Å; C307-P359 HydrophobicContact CB-CB 3.89Å; C307-P359 HydrophobicContact CB-CG 3.79Å; C307-S360 WeakPolarHBondContact CA-O 3.3Å
308A89.5Confident75.9Confident0 Ų039.1 Ų39.10%020%0.204CC..EExtended strand (participates in β ladder)trans-141.7156.517600000110.6V253 H254 L255 L326 P359 S360 Y362V253-A308 HydrophobicContact CB-CB 4.04Å; V253-A308 HydrophobicContact CG2-CB 3.76Å; H254-A308 CarbonylContact O-C 3.42Å; H254-A308 WeakPolarHBondContact O-CA 3.23Å; H254-A308 WeakPolarHBondContact O-CB 3.45Å; L255-A308 HydrophobicContact CD2-CB 4.06Å; A308-L326 HydrophobicContact CB-CD2 4.46Å; A308-P359 WeakPolarHBondContact O-CA 3.33Å; A308-P359 VanDerWaalsContact O-CB 3.29Å; A308-P359 WeakPolarHBondContact O-CB 3.27Å; A308-S360 PolarHBondContact N-O 3.14Å; A308-S360 VanDerWaalsContact N-O 3.09Å; A308-S360 PolarHBondContact O-N 2.92Å; A308-Y362 HydrophobicContact CB-CD2 4.06Å; A308-Y362 HydrophobicContact CB-CE2 3.7Å
309G88.6Confident77.3Confident0 Ų034.7 Ų34.70%017%0.169CC..  trans89.8-165.8-177.900000112.5H254 E256 R311 D314 P359H254-G309 PolarHBondContact O-N 2.92Å; E256-G309 VanDerWaalsContact CG-O 3.3Å; E256-G309 WeakPolarHBondContact CG-O 3.37Å; G309-R311 PolarHBondContact O-N 2.85Å; G309-D314 VanDerWaalsContact C-OD2 3.23Å; G309-D314 WeakPolarHBondContact CA-OD2 3.46Å; G309-P359 WeakPolarHBondContact O-CB 3.46Å
310G83.3Confident79Confident7 Ų729.5 Ų29.57%0.07215%0.147CC..  trans78-817900000114.6G357 I358G310-G357 WeakPolarHBondContact O-CA 3.23Å; G310-G357 PolarHBondContact O-N 2.88Å; G310-I358 WeakPolarHBondContact CA-O 3.25Å
311R83.3Confident80.3Confident81 Ų8121.8 Ų21.831%0.30611%0.113SC..SBendtrans-70.6159.5162.5-56.3-174179.3171.36.4110.1R68 H254 E256 G309 V313 D314R68-R311 PolarHBondContact NH2-O 2.92Å; H254-R311 HydrophobicContact CB-CG 4.39Å; H254-R311 PolarHBondContact CD2-NH1 2.82Å; E256-R311 HydrophobicContact CG-CG 4.42Å; E256-R311 IonicContact OE1-CZ 3.75Å; E256-R311 IonicContact OE1-NE 2.74Å; E256-R311 PolarHBondContact OE1-NE 3.25Å; E256-R311 IonicContact OE1-NH2 3.44Å; E256-R311 PolarHBondContact OE1-NH2 2.82Å; G309-R311 PolarHBondContact O-N 2.85Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3Å; R311-D314 HydrophobicContact CB-CB 4.3Å; R311-D314 VanDerWaalsContact CB-OD2 3.25Å; R311-D314 WeakPolarHBondContact CB-OD2 3.39Å; R311-D314 WeakPolarHBondContact CG-OD2 3.38Å; R311-D314 PolarHBondContact N-OD2 3.03Å; R311-D314 VanDerWaalsContact N-OD2 3.16Å; R311-D314 WeakPolarHBondContact O-CB 3.15Å; R311-D314 PolarHBondContact O-N 2.81Å
312Y78.3Confident81.6Confident88 Ų8822.2 Ų22.235%0.34512%0.116SC..THydrogen-bonded Turntrans-58.6-38.1-179.8-167.8-106000112.5K67 R68 A71 D314K67-Y312 VanDerWaalsContact C-OH 3.32Å; K67-Y312 VanDerWaalsContact CB-OH 3.26Å; K67-Y312 WeakPolarHBondContact CB-OH 3.17Å; R68-Y312 VanDerWaalsContact CA-CZ 3.49Å; R68-Y312 WeakPolarHBondContact CA-OH 3.47Å; R68-Y312 HydrophobicContact CB-CD2 4.4Å; R68-Y312 HydrophobicContact CB-CE1 3.89Å; R68-Y312 HydrophobicContact CB-CE2 3.7Å; R68-Y312 VanDerWaalsContact CB-CZ 3.41Å; R68-Y312 WeakPolarHBondContact CB-OH 3.5Å; R68-Y312 WeakPolarHBondContact CD-O 3.36Å; R68-Y312 HydrophobicContact CG-CD1 4.11Å; R68-Y312 HydrophobicContact CG-CD2 3.91Å; R68-Y312 HydrophobicContact CG-CE1 3.94Å; R68-Y312 HydrophobicContact CG-CE2 3.72Å; R68-Y312 HydrophobicContact CG-CG 4.12Å; R68-Y312 WeakPolarHBondContact CG-O 3.17Å; R68-Y312 PolarHBondContact N-OH 2.78Å; R68-Y312 PolarHBondContact NE-O 2.87Å; A71-Y312 HydrophobicContact CB-CD1 3.97Å; A71-Y312 HydrophobicContact CB-CE1 3.76Å; Y312-D314 VanDerWaalsContact C-N 3.35Å
313V76.9Confident83.3Confident37 Ų3718.8 Ų18.822%0.2249%0.094CC..THydrogen-bonded Turntrans-85.8-2.7179.2-61.80000114.1A71 Q72 F75 R311A71-V313 HydrophobicContact CB-CG1 4.3Å; Q72-V313 WeakPolarHBondContact CG-O 3.42Å; F75-V313 HydrophobicContact CB-CB 4.15Å; F75-V313 HydrophobicContact CB-CG1 4.29Å; F75-V313 HydrophobicContact CD1-CB 4.39Å; F75-V313 HydrophobicContact CD1-CG2 4.41Å; F75-V313 HydrophobicContact CD2-CG2 4.29Å; F75-V313 HydrophobicContact CE2-CG2 4.45Å; F75-V313 HydrophobicContact CG-CB 4.11Å; F75-V313 HydrophobicContact CG-CG2 4.25Å; R311-V313 VanDerWaalsContact C-N 3.25Å; R311-V313 PolarHBondContact O-N 3Å
314D83.3Confident84.5Confident0 Ų017.6 Ų17.60%09%0.089CC..  trans-82.9146.4-174.2-71.8-10.1000112.8R68 Q72 H254 G309 R311 Y312R68-D314 PolarHBondContact NH2-O 2.84Å; Q72-D314 PolarHBondContact NE2-O 3.13Å; H254-D314 IonicContact CE1-OD1 2.6Å; H254-D314 PolarHBondContact CE1-OD1 3.26Å; H254-D314 IonicContact CG-OD1 3.59Å; H254-D314 PolarHBondContact N-OD1 2.67Å; H254-D314 PolarHBondContact N-OD2 3.44Å; H254-D314 IonicContact ND1-OD1 3.17Å; H254-D314 PolarHBondContact ND1-OD1 3.42Å; H254-D314 IonicContact ND1-OD2 3.76Å; G309-D314 VanDerWaalsContact C-OD2 3.23Å; G309-D314 WeakPolarHBondContact CA-OD2 3.46Å; R311-D314 HydrophobicContact CB-CB 4.3Å; R311-D314 VanDerWaalsContact CB-OD2 3.25Å; R311-D314 WeakPolarHBondContact CB-OD2 3.39Å; R311-D314 WeakPolarHBondContact CG-OD2 3.38Å; R311-D314 PolarHBondContact N-OD2 3.03Å; R311-D314 VanDerWaalsContact N-OD2 3.16Å; R311-D314 WeakPolarHBondContact O-CB 3.15Å; R311-D314 PolarHBondContact O-N 2.81Å; Y312-D314 VanDerWaalsContact C-N 3.35Å
315G82Confident85.5Confident0 Ų016.2 Ų16.20%08%0.079CC..  trans-60.6-179.2155.200000114.3Y22 F252Y22-G315 WeakPolarHBondContact O-CA 3.25Å; F252-G315 PolarHBondContact O-N 2.97Å
316D81Confident86Confident1 Ų115 Ų151%0.0057%0.074CC..  trans-158.2165.3160.9-164.522.4000111.9V20 I21 C353 G354 S360V20-D316 CarbonylContact C-O 3.45Å; V20-D316 VanDerWaalsContact O-O 3.06Å; I21-D316 WeakPolarHBondContact CA-O 3.09Å; I21-D316 WeakPolarHBondContact CG1-O 3.3Å; I21-D316 PolarHBondContact N-O 2.85Å; D316-C353 WeakPolarHBondContact OD2-CA 3.42Å; D316-C353 VanDerWaalsContact OD2-CB 3.29Å; D316-C353 WeakPolarHBondContact OD2-CB 3.48Å; D316-G354 VanDerWaalsContact CG-N 3.35Å; D316-G354 PolarHBondContact OD2-N 3.15Å; D316-S360 WeakPolarHBondContact OD1-CB 3.43Å; D316-S360 PolarHBondContact OD1-OG 2.89Å; D316-S360 PolarHBondContact OD2-OG 3.09Å
317T83.6Confident86.2Confident12 Ų1214.5 Ų14.57%0.0747%0.072CC..  trans-85.8150.8171.647.70000112.1V228 D321 A347 C353 Y362V228-T317 HydrophobicContact CB-CG2 4.27Å; V228-T317 HydrophobicContact CG1-CG2 4.07Å; V228-T317 HydrophobicContact CG2-CG2 3.32Å; T317-D321 HydrophobicContact CG2-CB 4.03Å; T317-A347 HydrophobicContact CG2-CB 3.71Å; T317-C353 WeakPolarHBondContact O-CB 3.38Å; T317-Y362 HydrophobicContact CG2-CE1 4.15Å; T317-Y362 WeakPolarHBondContact CG2-OH 3.36Å
318C79.9Confident86.2Confident7 Ų714.3 Ų14.35%0.0477%0.071CC..  trans-135.1-159171.9-136.90000113.7P19 G320 D321 C353P19-C318 VanDerWaalsContact CA-SG 3.56Å; P19-C318 WeakPolarHBondContact O-CB 3.32Å; P19-C318 PolarHBondContact O-SG 3.15Å; C318-G320 PolarHBondContact O-N 2.99Å; C318-D321 PolarHBondContact N-OD2 3.01Å; C318-D321 WeakPolarHBondContact O-CB 3.44Å; C318-D321 PolarHBondContact O-N 2.83Å; C318-C353 WeakPolarHBondContact CA-SG 3.35Å; C318-C353 HydrophobicContact CB-CB 4.14Å; C318-C353 WeakPolarHBondContact CB-SG 3.47Å; C318-C353 WeakPolarHBondContact SG-CB 3.49Å; C318-C353 CovalentContact SG-SG 2.1Å; C318-C353 PolarHBondContact SG-SG 2.82Å
319Q81.1Confident85.8Confident38 Ų3814.6 Ų14.618%0.1787%0.072CC..THydrogen-bonded Turntrans-64127.1-173-61.372.658.200110I17 G232 H233 Y236 D321 C353I17-Q319 HydrophobicContact CD1-CG 4.21Å; G232-Q319 CarbonylContact C-O 3.16Å; G232-Q319 WeakPolarHBondContact CA-O 3.31Å; H233-Q319 PolarHBondContact CD2-O 2.96Å; H233-Q319 PolarHBondContact N-O 2.83Å; Y236-Q319 VanDerWaalsContact CA-OE1 3.24Å; Y236-Q319 VanDerWaalsContact CB-OE1 3.23Å; Y236-Q319 VanDerWaalsContact CD2-CD 3.47Å; Y236-Q319 HydrophobicContact CD2-CG 4.4Å; Q319-D321 VanDerWaalsContact C-N 3.34Å; Q319-C353 PolarHBondContact NE2-SG 2.63Å
320G85.8Confident85.4Confident8 Ų815.7 Ų15.78%0.0828%0.077CC..THydrogen-bonded Turntrans94.9-21.1-174.400000113.9H110 L111 C112 G113 C318 S322H110-G320 WeakPolarHBondContact NE2-CA 3.47Å; H110-G320 PolarHBondContact NE2-O 3.19Å; L111-G320 WeakPolarHBondContact O-CA 3.37Å; C112-G320 CarbonylContact C-O 3.59Å; C112-G320 VanDerWaalsContact C-O 3.3Å; C112-G320 VanDerWaalsContact CA-O 3.25Å; C112-G320 WeakPolarHBondContact CA-O 3.23Å; G113-G320 PolarHBondContact N-O 3.03Å; C318-G320 PolarHBondContact O-N 2.99Å; G320-S322 VanDerWaalsContact C-N 3.32Å
321D90.1Very high85Confident0 Ų019.1 Ų19.10%09%0.094CC..THydrogen-bonded Turntrans-79.9-17.6177.9-62.7-39.3000112.9G230 G232 H249 T317 C318 Q319 G323 G324 A347G230-D321 VanDerWaalsContact CA-OD1 3.27Å; G230-D321 WeakPolarHBondContact CA-OD1 3.3Å; G232-D321 VanDerWaalsContact CA-OD1 3.23Å; G232-D321 WeakPolarHBondContact CA-OD1 3.47Å; G232-D321 PolarHBondContact N-OD1 2.99Å; H249-D321 IonicContact CE1-OD1 3.39Å; H249-D321 PolarHBondContact CE1-OD1 2.74Å; H249-D321 IonicContact CE1-OD2 2.67Å; H249-D321 IonicContact NE2-OD1 3.98Å; T317-D321 HydrophobicContact CG2-CB 4.03Å; C318-D321 PolarHBondContact N-OD2 3.01Å; C318-D321 WeakPolarHBondContact O-CB 3.44Å; C318-D321 PolarHBondContact O-N 2.83Å; Q319-D321 VanDerWaalsContact C-N 3.34Å; D321-G323 PolarHBondContact O-N 3.21Å; D321-G324 WeakPolarHBondContact O-CA 3.32Å; D321-G324 PolarHBondContact O-N 2.7Å; D321-A347 WeakPolarHBondContact O-CB 3.45Å
322S92Very high84.4Confident21 Ų2120.9 Ų20.915%0.14711%0.105CC..THydrogen-bonded Turntrans-47.9138173.6-66.90000111.5C112 G113 H127 G320 G324 S348C112-S322 CarbonylContact C-O 3.26Å; C112-S322 WeakPolarHBondContact CA-O 3.47Å; C112-S322 WeakPolarHBondContact CB-O 3.13Å; G113-S322 PolarHBondContact N-O 2.93Å; H127-S322 VanDerWaalsContact CE1-CB 3.49Å; H127-S322 WeakPolarHBondContact CE1-CB 3.15Å; H127-S322 PolarHBondContact CE1-OG 2.79Å; H127-S322 WeakPolarHBondContact NE2-CB 3.29Å; H127-S322 PolarHBondContact NE2-OG 3.31Å; G320-S322 VanDerWaalsContact C-N 3.32Å; S322-G324 PolarHBondContact O-N 3.41Å; S322-S348 PolarHBondContact OG-O 2.79Å
323G94.6Very high83.8Confident0 Ų019.3 Ų19.30%010%0.099CC..THydrogen-bonded Turntrans77.3-10-173.400000115G113 G114 T124 D321 A347G113-G323 CarbonylContact O-C 3.57Å; G113-G323 WeakPolarHBondContact O-CA 3.05Å; G114-G323 WeakPolarHBondContact CA-O 3.41Å; T124-G323 WeakPolarHBondContact OG1-CA 3.47Å; D321-G323 PolarHBondContact O-N 3.21Å; G323-A347 PolarHBondContact N-O 2.94Å
324G94.1Very high83.1Confident0 Ų020.5 Ų20.50%010%0.1CC..  trans-65.1149.7170.100000112.3D321 S322 I346 A347D321-G324 WeakPolarHBondContact O-CA 3.32Å; D321-G324 PolarHBondContact O-N 2.7Å; S322-G324 PolarHBondContact O-N 3.41Å; G324-I346 WeakPolarHBondContact O-CA 3.37Å; G324-A347 PolarHBondContact O-N 3.17Å
325P93.6Very high82Confident0 Ų025.3 Ų25.30%013%0.133CC..EExtended strand (participates in β ladder)trans-76.1143.7-174.732.3-37.5000112.6L89 L115 V228 S229L89-P325 HydrophobicContact CD2-CG 3.82Å; L115-P325 HydrophobicContact CB-CB 4.44Å; L115-P325 HydrophobicContact CD1-CB 4.11Å; L115-P325 HydrophobicContact CD1-CG 4.07Å; L115-P325 HydrophobicContact CD2-CB 4.12Å; L115-P325 HydrophobicContact CG-CB 4.46Å; V228-P325 WeakPolarHBondContact CA-O 3.46Å; S229-P325 PolarHBondContact N-O 3.05Å; S229-P325 WeakPolarHBondContact OG-CD 3.38Å; S229-P325 WeakPolarHBondContact OG-CG 3.36Å
326L92.3Very high80.5Confident0 Ų030.5 Ų30.50%016%0.156CC..EExtended strand (participates in β ladder)trans-102.8109.4161.5-179.371.3000108.5C226 V228 V253 L255 A308 A344 G345 Y362C226-L326 HydrophobicContact CB-CD1 3.74Å; C226-L326 HydrophobicContact CB-CG 4.28Å; V228-L326 HydrophobicContact CB-CD1 4.1Å; V253-L326 HydrophobicContact CG2-CD1 3.47Å; V253-L326 VanDerWaalsContact CG2-CD1 3.47Å; L255-L326 HydrophobicContact CD2-CD2 4.34Å; A308-L326 HydrophobicContact CB-CD2 4.46Å; L326-A344 HydrophobicContact CD2-CB 4.26Å; L326-A344 HydrophobicContact CG-CB 4.39Å; L326-A344 PolarHBondContact O-N 3.38Å; L326-G345 PolarHBondContact N-O 2.84Å; L326-G345 PolarHBondContact O-N 2.94Å; L326-Y362 HydrophobicContact CB-CD1 3.67Å; L326-Y362 HydrophobicContact CB-CE1 3.92Å; L326-Y362 HydrophobicContact CB-CG 4.42Å; L326-Y362 HydrophobicContact CD1-CD1 4.38Å; L326-Y362 HydrophobicContact CD1-CE1 4.03Å; L326-Y362 HydrophobicContact CD2-CD1 3.85Å; L326-Y362 HydrophobicContact CD2-CD2 4.15Å; L326-Y362 HydrophobicContact CD2-CE1 4.29Å; L326-Y362 HydrophobicContact CD2-CG 3.78Å; L326-Y362 HydrophobicContact CG-CD1 4.17Å; L326-Y362 HydrophobicContact CG-CE1 4.3Å
327L89.1Confident79.2Confident1 Ų140.5 Ų40.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-96.1134.6176-67.9170.1000109.5L85 F88 L89 C226 I227 W341 F342 V343L85-L327 HydrophobicContact CD1-CD1 3.77Å; L85-L327 HydrophobicContact CG-CD1 4.46Å; F88-L327 HydrophobicContact CD1-CD1 4.04Å; F88-L327 HydrophobicContact CE1-CD1 4.01Å; F88-L327 HydrophobicContact CE1-CD2 3.89Å; L89-L327 HydrophobicContact CD1-CD1 4.17Å; L89-L327 HydrophobicContact CD2-CD1 3.41Å; L89-L327 VanDerWaalsContact CD2-CD1 3.41Å; L89-L327 HydrophobicContact CD2-CG 4.46Å; L89-L327 HydrophobicContact CG-CD1 3.71Å; C226-L327 CarbonylContact C-O 3.4Å; C226-L327 WeakPolarHBondContact CA-O 3.47Å; C226-L327 VanDerWaalsContact CB-O 3.3Å; C226-L327 WeakPolarHBondContact CB-O 3.38Å; I227-L327 PolarHBondContact N-O 3.2Å; I227-L327 PolarHBondContact O-N 2.97Å; L327-W341 HydrophobicContact CB-CE3 3.95Å; L327-F342 CarbonylContact C-O 3.46Å; L327-F342 VanDerWaalsContact CA-O 3.3Å; L327-F342 WeakPolarHBondContact CA-O 3.35Å; L327-V343 HydrophobicContact CD2-CB 4.27Å; L327-V343 HydrophobicContact CD2-CG2 3.27Å; L327-V343 HydrophobicContact CG-CG2 4.41Å
328C87.2Confident77.5Confident0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-129.9158.3177.4-62.20000111.6Y224 I225 C226 W341 F342 A344Y224-C328 HydrophobicContact CD1-CB 4.48Å; I225-C328 WeakPolarHBondContact O-CA 3.46Å; C226-C328 HydrophobicContact CB-CB 4.08Å; C226-C328 WeakPolarHBondContact CB-SG 3.46Å; C226-C328 WeakPolarHBondContact SG-CB 3.37Å; C226-C328 CovalentContact SG-SG 2.04Å; C226-C328 PolarHBondContact SG-SG 2.92Å; C328-W341 WeakPolarHBondContact O-CA 3.48Å; C328-F342 HydrophobicContact CB-CE1 4.19Å; C328-F342 HydrophobicContact CB-CE2 4.07Å; C328-F342 HydrophobicContact CB-CZ 3.8Å; C328-F342 PolarHBondContact N-O 3.24Å; C328-F342 WeakPolarHBondContact O-CD1 3.17Å; C328-F342 WeakPolarHBondContact O-CE1 3.28Å; C328-F342 PolarHBondContact O-N 2.92Å; C328-A344 HydrophobicContact CB-CB 3.97Å; C328-A344 WeakPolarHBondContact SG-CB 3.13Å
329I82Confident76.4Confident5 Ų550.5 Ų50.53%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-143.6148.4170.4-170.6169.3000109Y224 I225 Y334 K339 W341Y224-I329 VanDerWaalsContact CA-O 3.32Å; Y224-I329 WeakPolarHBondContact CA-O 3.15Å; I225-I329 HydrophobicContact CG2-CG2 3.55Å; I225-I329 PolarHBondContact N-O 3.16Å; I225-I329 PolarHBondContact O-N 3.4Å; I329-Y334 HydrophobicContact CG2-CD2 3.8Å; I329-Y334 HydrophobicContact CG2-CE2 4.37Å; I329-K339 WeakPolarHBondContact CD1-O 3.47Å; I329-W341 HydrophobicContact CB-CD2 3.9Å; I329-W341 HydrophobicContact CB-CE3 4.12Å; I329-W341 HydrophobicContact CB-CG 4.27Å; I329-W341 HydrophobicContact CG2-CD2 3.9Å; I329-W341 HydrophobicContact CG2-CE3 4Å; I329-W341 HydrophobicContact CG2-CH2 3.75Å; I329-W341 HydrophobicContact CG2-CZ2 3.63Å; I329-W341 HydrophobicContact CG2-CZ3 3.93Å
330E78.9Confident75.9Confident24 Ų2454.1 Ų54.111%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-70.4133.1172.2-59.2168.8-131.900109.8Q223 Y224 Q332 Y333 Y334 K339Q223-E330 CarbonylContact O-C 3.55Å; Q223-E330 WeakPolarHBondContact O-CA 3.02Å; Y224-E330 HydrophobicContact CD1-CB 4.41Å; Y224-E330 HydrophobicContact CD1-CG 3.9Å; Y224-E330 HydrophobicContact CE1-CB 4.24Å; Y224-E330 HydrophobicContact CE1-CG 3.28Å; E330-Q332 HydrophobicContact CB-CG 4.2Å; E330-Q332 PolarHBondContact O-N 3.33Å; E330-Q332 VanDerWaalsContact O-N 3.16Å; E330-Q332 PolarHBondContact OE2-NE2 2.87Å; E330-Y333 HydrophobicContact CB-CD2 3.89Å; E330-Y333 HydrophobicContact CB-CE2 4.41Å; E330-Y333 HydrophobicContact CG-CD2 4.45Å; E330-Y333 PolarHBondContact O-N 3.02Å; E330-Y333 VanDerWaalsContact OE2-CE2 3.25Å; E330-Y333 WeakPolarHBondContact OE2-CE2 3.11Å; E330-Y334 PolarHBondContact O-N 2.92Å; E330-K339 IonicContact OE1-NZ 3.15Å; E330-K339 PolarHBondContact OE1-NZ 3.23Å
331L75.1Confident75.6Confident79 Ų7955.2 Ų55.241%0.41427%0.265SS..G310 helixtrans-52.8-38.7-178.3-73.7173.8000112.8Q222 Q223 I225 Y333 Y334Q222-L331 VanDerWaalsContact O-CD1 3.23Å; Q222-L331 WeakPolarHBondContact O-CD1 3.13Å; Q223-L331 PolarHBondContact O-N 2.8Å; I225-L331 HydrophobicContact CB-CD2 3.73Å; I225-L331 HydrophobicContact CG2-CD2 3.86Å; L331-Y333 PolarHBondContact O-N 3.05Å; L331-Y333 VanDerWaalsContact O-N 3.14Å; L331-Y334 VanDerWaalsContact O-CB 3.32Å; L331-Y334 WeakPolarHBondContact O-CB 3.37Å; L331-Y334 PolarHBondContact O-N 3.09Å
332Q70.7Confident75.2Confident117 Ų11755.6 Ų55.655%0.54727%0.267SS..G310 helixtrans-63.3-19.2179.366.3176.4-10.400113.9E330E330-Q332 HydrophobicContact CB-CG 4.2Å; E330-Q332 PolarHBondContact O-N 3.33Å; E330-Q332 VanDerWaalsContact O-N 3.16Å; E330-Q332 PolarHBondContact OE2-NE2 2.87Å
333Y66.8Low74.9Confident56 Ų5654.8 Ų54.822%0.2226%0.261CS..G310 helixtrans-106.9-0.3176.3-57.6-62.4000113E330 L331 S335 K336 K339E330-Y333 HydrophobicContact CB-CD2 3.89Å; E330-Y333 HydrophobicContact CB-CE2 4.41Å; E330-Y333 HydrophobicContact CG-CD2 4.45Å; E330-Y333 PolarHBondContact O-N 3.02Å; E330-Y333 VanDerWaalsContact OE2-CE2 3.25Å; E330-Y333 WeakPolarHBondContact OE2-CE2 3.11Å; L331-Y333 PolarHBondContact O-N 3.05Å; L331-Y333 VanDerWaalsContact O-N 3.14Å; Y333-S335 PolarHBondContact O-N 2.83Å; Y333-K336 HydrophobicContact CD1-CB 4.41Å; Y333-K336 HydrophobicContact CD1-CD 4.18Å; Y333-K336 CarbonylContact O-C 3.57Å; Y333-K336 PolarHBondContact O-N 2.83Å; Y333-K339 HydrophobicContact CD1-CG 4.18Å; Y333-K339 HydrophobicContact CD2-CB 4.03Å; Y333-K339 HydrophobicContact CD2-CD 3.46Å; Y333-K339 VanDerWaalsContact CD2-CD 3.46Å; Y333-K339 HydrophobicContact CD2-CG 3.75Å; Y333-K339 HydrophobicContact CE1-CG 4.46Å; Y333-K339 HydrophobicContact CE2-CD 3.57Å; Y333-K339 HydrophobicContact CE2-CG 4.1Å; Y333-K339 HydrophobicContact CG-CB 3.9Å; Y333-K339 HydrophobicContact CG-CD 4.1Å; Y333-K339 HydrophobicContact CG-CG 3.84Å
334Y61.6Low74.5Confident61 Ų6154.9 Ų54.924%0.23926%0.262CS..THydrogen-bonded Turntrans-55.5-39.9-179-166.9-91.3000112.7I79 Q80 I225 I329 E330 L331 W341I79-Y334 HydrophobicContact CG2-CE1 3.71Å; I79-Y334 HydrophobicContact CG2-CE2 4.12Å; I79-Y334 WeakPolarHBondContact CG2-OH 3.46Å; Q80-Y334 PolarHBondContact O-OH 2.8Å; I225-Y334 HydrophobicContact CD1-CE2 4.39Å; I225-Y334 HydrophobicContact CG2-CD2 3.43Å; I225-Y334 VanDerWaalsContact CG2-CD2 3.43Å; I225-Y334 HydrophobicContact CG2-CE2 3.75Å; I225-Y334 HydrophobicContact CG2-CG 4.46Å; I329-Y334 HydrophobicContact CG2-CD2 3.8Å; I329-Y334 HydrophobicContact CG2-CE2 4.37Å; E330-Y334 PolarHBondContact O-N 2.92Å; L331-Y334 VanDerWaalsContact O-CB 3.32Å; L331-Y334 WeakPolarHBondContact O-CB 3.37Å; L331-Y334 PolarHBondContact O-N 3.09Å; Y334-W341 HydrophobicContact CD2-CZ2 4.26Å; Y334-W341 HydrophobicContact CE2-CH2 4.05Å; Y334-W341 AromaticContact CE2-CZ2 3.61Å; Y334-W341 HydrophobicContact CE2-CZ2 3.61Å
335S60Low74.4Confident101 Ų10154.9 Ų54.971%0.70626%0.262SS*.THydrogen-bonded Turntrans-89.5-5.5176.8670000114.1Y333Y333-S335 PolarHBondContact O-N 2.83Å
336K52.1Low74.4Confident109 Ų10954.9 Ų54.947%0.47426%0.262SS..  trans-108.8111.9-177.4-68.9-179.3178.4175.50108.2Y333 I338Y333-K336 HydrophobicContact CD1-CB 4.41Å; Y333-K336 HydrophobicContact CD1-CD 4.18Å; Y333-K336 CarbonylContact O-C 3.57Å; Y333-K336 PolarHBondContact O-N 2.83Å; K336-I338 HydrophobicContact CB-CD1 4.07Å; K336-I338 HydrophobicContact CB-CG1 4.06Å; K336-I338 HydrophobicContact CD-CD1 4.26Å; K336-I338 HydrophobicContact CG-CD1 4.49Å; K336-I338 PolarHBondContact O-N 2.88Å
337F52.1Low74.4Confident211 Ų21154.9 Ų54.993%0.92526%0.262SS*.THydrogen-bonded Turntrans-58.49.7176.5-60.6-80.1000115.7
338I48.3Very low74.5Confident141 Ų14155.2 Ų55.272%0.72326%0.264SS*.THydrogen-bonded Turntrans-93-27.9-167.5-37.3168.4000111.6K336K336-I338 HydrophobicContact CB-CD1 4.07Å; K336-I338 HydrophobicContact CB-CG1 4.06Å; K336-I338 HydrophobicContact CD-CD1 4.26Å; K336-I338 HydrophobicContact CG-CD1 4.49Å; K336-I338 PolarHBondContact O-N 2.88Å
339K57.3Low74.4Confident89 Ų8957 Ų5739%0.38728%0.277SS..SBendtrans-113.1132.1172.8-73.8-146.1-170.1175.40110.6I329 E330 Y333I329-K339 WeakPolarHBondContact CD1-O 3.47Å; E330-K339 IonicContact OE1-NZ 3.15Å; E330-K339 PolarHBondContact OE1-NZ 3.23Å; Y333-K339 HydrophobicContact CD1-CG 4.18Å; Y333-K339 HydrophobicContact CD2-CB 4.03Å; Y333-K339 HydrophobicContact CD2-CD 3.46Å; Y333-K339 VanDerWaalsContact CD2-CD 3.46Å; Y333-K339 HydrophobicContact CD2-CG 3.75Å; Y333-K339 HydrophobicContact CE1-CG 4.46Å; Y333-K339 HydrophobicContact CE2-CD 3.57Å; Y333-K339 HydrophobicContact CE2-CG 4.1Å; Y333-K339 HydrophobicContact CG-CB 3.9Å; Y333-K339 HydrophobicContact CG-CD 4.1Å; Y333-K339 HydrophobicContact CG-CG 3.84Å
340E70Confident73.9Confident113 Ų11358.4 Ų58.453%0.52829%0.292SS..  trans-86154.1-179.9-70.7175.4179.400110.8L212L212-E340 HydrophobicContact CD1-CB 3.23Å; L212-E340 HydrophobicContact CD1-CG 4.16Å; L212-E340 WeakPolarHBondContact CD1-OE2 3.38Å
341W80.2Confident73.5Confident31 Ų3158 Ų5812%0.11729%0.29CS..  trans-63.7143.4170.9-69.775.2000110.1L85 I225 I227 F252 L327 C328 I329 Y334L85-W341 HydrophobicContact CD1-CB 3.52Å; L85-W341 HydrophobicContact CD1-CD2 3.88Å; L85-W341 HydrophobicContact CD1-CE3 4.46Å; L85-W341 HydrophobicContact CD1-CG 3.43Å; L85-W341 VanDerWaalsContact CD1-CG 3.43Å; L85-W341 HydrophobicContact CD2-CD2 3.46Å; L85-W341 VanDerWaalsContact CD2-CD2 3.46Å; L85-W341 HydrophobicContact CD2-CE3 3.87Å; L85-W341 HydrophobicContact CD2-CG 3.88Å; L85-W341 HydrophobicContact CD2-CH2 4.05Å; L85-W341 HydrophobicContact CD2-CZ2 3.66Å; L85-W341 HydrophobicContact CD2-CZ3 4.15Å; L85-W341 HydrophobicContact CG-CD2 4.29Å; L85-W341 HydrophobicContact CG-CG 4.23Å; I225-W341 HydrophobicContact CG2-CH2 4.35Å; I227-W341 HydrophobicContact CB-CZ3 4.19Å; I227-W341 HydrophobicContact CD1-CH2 3.37Å; I227-W341 HydrophobicContact CD1-CZ2 3.98Å; I227-W341 HydrophobicContact CD1-CZ3 3.77Å; I227-W341 HydrophobicContact CG1-CH2 3.75Å; I227-W341 HydrophobicContact CG1-CZ3 3.83Å; F252-W341 HydrophobicContact CE1-CH2 4.35Å; L327-W341 HydrophobicContact CB-CE3 3.95Å; C328-W341 WeakPolarHBondContact O-CA 3.48Å; I329-W341 HydrophobicContact CB-CD2 3.9Å; I329-W341 HydrophobicContact CB-CE3 4.12Å; I329-W341 HydrophobicContact CB-CG 4.27Å; I329-W341 HydrophobicContact CG2-CD2 3.9Å; I329-W341 HydrophobicContact CG2-CE3 4Å; I329-W341 HydrophobicContact CG2-CH2 3.75Å; I329-W341 HydrophobicContact CG2-CZ2 3.63Å; I329-W341 HydrophobicContact CG2-CZ3 3.93Å; Y334-W341 HydrophobicContact CD2-CZ2 4.26Å; Y334-W341 HydrophobicContact CE2-CH2 4.05Å; Y334-W341 AromaticContact CE2-CZ2 3.61Å; Y334-W341 HydrophobicContact CE2-CZ2 3.61Å
342F81.1Confident73.3Confident9 Ų957.7 Ų57.74%0.03929%0.287CS..EExtended strand (participates in β ladder)trans-125.4151.9-178.766.8-96.4000110.5L212 N214 L217 Y224 L327 C328 A344L212-F342 HydrophobicContact CB-CB 3.8Å; L212-F342 VanDerWaalsContact O-CA 3.28Å; L212-F342 WeakPolarHBondContact O-CA 3.37Å; L212-F342 WeakPolarHBondContact O-CB 3.49Å; N214-F342 HydrophobicContact CB-CB 3.99Å; N214-F342 HydrophobicContact CB-CD1 4.09Å; N214-F342 HydrophobicContact CB-CD2 3.63Å; N214-F342 HydrophobicContact CB-CE1 4.47Å; N214-F342 HydrophobicContact CB-CE2 4.04Å; N214-F342 HydrophobicContact CB-CG 3.65Å; N214-F342 HydrophobicContact CB-CZ 4.45Å; L217-F342 HydrophobicContact CD1-CE2 3.82Å; L217-F342 HydrophobicContact CD1-CZ 4.49Å; L217-F342 HydrophobicContact CG-CE2 4.02Å; L217-F342 HydrophobicContact CG-CZ 4.25Å; Y224-F342 HydrophobicContact CD1-CE1 4.12Å; Y224-F342 AromaticContact CD1-CZ 3.93Å; Y224-F342 HydrophobicContact CD1-CZ 3.93Å; Y224-F342 AromaticContact CE1-CE1 3.81Å; Y224-F342 HydrophobicContact CE1-CE1 3.81Å; Y224-F342 AromaticContact CE1-CZ 3.64Å; Y224-F342 HydrophobicContact CE1-CZ 3.64Å; L327-F342 CarbonylContact C-O 3.46Å; L327-F342 VanDerWaalsContact CA-O 3.3Å; L327-F342 WeakPolarHBondContact CA-O 3.35Å; C328-F342 HydrophobicContact CB-CE1 4.19Å; C328-F342 HydrophobicContact CB-CE2 4.07Å; C328-F342 HydrophobicContact CB-CZ 3.8Å; C328-F342 PolarHBondContact N-O 3.24Å; C328-F342 WeakPolarHBondContact O-CD1 3.17Å; C328-F342 WeakPolarHBondContact O-CE1 3.28Å; C328-F342 PolarHBondContact O-N 2.92Å; F342-A344 HydrophobicContact CD2-CB 4.32Å; F342-A344 HydrophobicContact CE2-CB 3.91Å; F342-A344 PolarHBondContact O-N 2.78Å
343V85.9Confident73.5Confident4 Ų452.2 Ų52.22%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-81.1105.9176.3177.60000108.5L115 L211 L212 L213 L327 I365L115-V343 HydrophobicContact CD2-CG1 4.14Å; L115-V343 HydrophobicContact CD2-CG2 3.77Å; L211-V343 HydrophobicContact CD1-CG2 4.03Å; L211-V343 HydrophobicContact CD2-CB 3.52Å; L211-V343 HydrophobicContact CD2-CG1 4.07Å; L211-V343 HydrophobicContact CD2-CG2 3.39Å; L211-V343 HydrophobicContact CG-CB 4.04Å; L211-V343 HydrophobicContact CG-CG2 3.49Å; L211-V343 VanDerWaalsContact CG-CG2 3.49Å; L212-V343 PolarHBondContact O-N 2.9Å; L212-V343 VanDerWaalsContact O-N 3.16Å; L213-V343 HydrophobicContact CD2-CB 4.13Å; L327-V343 HydrophobicContact CD2-CB 4.27Å; L327-V343 HydrophobicContact CD2-CG2 3.27Å; L327-V343 HydrophobicContact CG-CG2 4.41Å; V343-I365 HydrophobicContact CG1-CG1 3.79Å
344A87.2Confident73.7Confident2 Ų249.9 Ų49.92%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-78.1-38.8179.600000111.6L217 L306 L326 C328 F342 P364 I365L217-A344 HydrophobicContact CD1-CB 3.73Å; L306-A344 HydrophobicContact CD1-CB 4.23Å; L306-A344 WeakPolarHBondContact CD1-O 3.19Å; L326-A344 HydrophobicContact CD2-CB 4.26Å; L326-A344 HydrophobicContact CG-CB 4.39Å; L326-A344 PolarHBondContact O-N 3.38Å; C328-A344 HydrophobicContact CB-CB 3.97Å; C328-A344 WeakPolarHBondContact SG-CB 3.13Å; F342-A344 HydrophobicContact CD2-CB 4.32Å; F342-A344 HydrophobicContact CE2-CB 3.91Å; F342-A344 PolarHBondContact O-N 2.78Å; A344-P364 WeakPolarHBondContact O-CA 3.39Å; A344-I365 PolarHBondContact O-N 3.42Å
345G90.9Very high74.3Confident0 Ų049.2 Ų49.20%026%0.255CS..EExtended strand (participates in β ladder)trans-166.2-175.9-176.400000114L326 T363L326-G345 PolarHBondContact N-O 2.84Å; L326-G345 PolarHBondContact O-N 2.94Å; G345-T363 CarbonylContact C-O 3.57Å; G345-T363 WeakPolarHBondContact CA-O 3.06Å
346I92.9Very high75.2Confident0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-122.3139.5172.944.1171.7000109.4L123 T124 D183 I184 G324 S348 Y362 T363 I365L123-I346 HydrophobicContact CD2-CG2 4.16Å; L123-I346 HydrophobicContact CG-CG2 4.18Å; T124-I346 VanDerWaalsContact O-CD1 3.23Å; T124-I346 WeakPolarHBondContact O-CD1 3.49Å; D183-I346 VanDerWaalsContact O-CD1 3.23Å; D183-I346 WeakPolarHBondContact O-CD1 3.32Å; I184-I346 HydrophobicContact CB-CD1 3.91Å; I184-I346 HydrophobicContact CD1-CD1 4.45Å; I184-I346 HydrophobicContact CG1-CD1 3.73Å; G324-I346 WeakPolarHBondContact O-CA 3.37Å; I346-S348 PolarHBondContact O-N 2.83Å; I346-Y362 CarbonylContact O-C 3.54Å; I346-Y362 WeakPolarHBondContact O-CA 3.5Å; I346-Y362 WeakPolarHBondContact O-CB 3.41Å; I346-T363 PolarHBondContact N-O 3.41Å; I346-T363 PolarHBondContact O-N 2.83Å; I346-I365 HydrophobicContact CG1-CD1 4.14Å; I346-I365 HydrophobicContact CG2-CD1 4.19Å
347A93.6Very high76.7Confident0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-58.2126.1175.100000109.7T317 D321 G323 G324 Y362T317-A347 HydrophobicContact CG2-CB 3.71Å; D321-A347 WeakPolarHBondContact O-CB 3.45Å; G323-A347 PolarHBondContact N-O 2.94Å; G324-A347 PolarHBondContact O-N 3.17Å; A347-Y362 HydrophobicContact CB-CD1 4.24Å; A347-Y362 HydrophobicContact CB-CE1 3.97Å
348S90.8Very high78.3Confident7 Ų736.2 Ų36.25%0.04920%0.198CC..EExtended strand (participates in β ladder)trans-119.6-69.5-175.4167.30000110.9H127 D183 S322 I346 I361H127-S348 PolarHBondContact CE1-O 2.75Å; D183-S348 VanDerWaalsContact OD2-CB 3.28Å; D183-S348 WeakPolarHBondContact OD2-CB 3.14Å; D183-S348 PolarHBondContact OD2-OG 3.28Å; S322-S348 PolarHBondContact OG-O 2.79Å; I346-S348 PolarHBondContact O-N 2.83Å; S348-I361 PolarHBondContact N-O 3.44Å; S348-I361 VanDerWaalsContact N-O 3.09Å
349S84.5Confident80.2Confident39 Ų3929.7 Ų29.727%0.27316%0.164SC..EExtended strand (participates in β ladder)trans-153.6166.6-169.1570000111.8I361S349-I361 PolarHBondContact N-O 3.08Å; S349-I361 WeakPolarHBondContact O-CA 3.37Å; S349-I361 WeakPolarHBondContact O-CB 3.44Å; S349-I361 PolarHBondContact O-N 3.03Å
350G73.1Confident81.7Confident33 Ų3325.5 Ų25.534%0.3415%0.146SC..  trans-166168.2179.600000110.9
351I69.7Low82.6Confident15 Ų1520.6 Ų20.68%0.07712%0.124CC..SBendtrans-94.7125.3165.6-65.2169.1000107.5I16 L261 K264 L265 C353 L355I16-I351 HydrophobicContact CG2-CG2 4.23Å; L261-I351 HydrophobicContact CD1-CB 4.11Å; L261-I351 HydrophobicContact CD1-CD1 3.67Å; L261-I351 HydrophobicContact CD1-CG1 3.71Å; K264-I351 HydrophobicContact CB-CD1 3.8Å; K264-I351 HydrophobicContact CG-CD1 3.68Å; L265-I351 HydrophobicContact CB-CD1 4.25Å; L265-I351 HydrophobicContact CD2-CD1 3.49Å; L265-I351 VanDerWaalsContact CD2-CD1 3.49Å; L265-I351 HydrophobicContact CD2-CG1 3.39Å; L265-I351 HydrophobicContact CG-CD1 3.48Å; L265-I351 VanDerWaalsContact CG-CD1 3.48Å; L265-I351 HydrophobicContact CG-CG1 3.87Å; I351-C353 PolarHBondContact O-N 2.85Å; I351-L355 HydrophobicContact CG2-CD1 4.08Å
352Q71.3Confident83.1Confident74 Ų7419.1 Ų19.135%0.34612%0.118SC..SBendtrans54.4-140.7-170.3-60.1-169.7-13.600106.6I16 I17 Q18 L355I16-Q352 HydrophobicContact CG2-CG 3.5Å; I16-Q352 VanDerWaalsContact CG2-CG 3.5Å; I16-Q352 PolarHBondContact O-N 2.95Å; I16-Q352 VanDerWaalsContact O-N 3.12Å; I17-Q352 VanDerWaalsContact C-CA 3.43Å; I17-Q352 VanDerWaalsContact CA-CA 3.4Å; I17-Q352 WeakPolarHBondContact CG2-O 3.48Å; Q18-Q352 VanDerWaalsContact N-CA 3.34Å; Q18-Q352 CarbonylContact O-C 3.47Å; Q18-Q352 VanDerWaalsContact O-CB 3.28Å; Q18-Q352 WeakPolarHBondContact O-CB 3.38Å; Q352-L355 HydrophobicContact CB-CD1 3.81Å; Q352-L355 HydrophobicContact CB-CG 3.95Å; Q352-L355 HydrophobicContact CG-CD1 4.15Å
353C73.9Confident83.5Confident2 Ų218.8 Ų18.81%0.01412%0.117CC..SBendtrans-136.7-176.9153.3-15.20000103.8Q18 P19 D316 T317 C318 Q319 I351 L355Q18-C353 CarbonylContact C-O 3.5Å; Q18-C353 WeakPolarHBondContact CA-SG 3.15Å; Q18-C353 VanDerWaalsContact N-N 3.15Å; Q18-C353 PolarHBondContact N-SG 3.29Å; Q18-C353 CarbonylContact O-C 3.3Å; Q18-C353 VanDerWaalsContact O-C 3.26Å; Q18-C353 WeakPolarHBondContact O-CA 3.48Å; Q18-C353 PolarHBondContact O-N 3.34Å; P19-C353 WeakPolarHBondContact CD-O 3.27Å; P19-C353 HydrophobicContact CG-CB 4.49Å; P19-C353 VanDerWaalsContact N-SG 3.38Å; P19-C353 WeakPolarHBondContact O-CB 3.39Å; P19-C353 PolarHBondContact O-SG 3.48Å; P19-C353 VanDerWaalsContact O-SG 3.36Å; D316-C353 WeakPolarHBondContact OD2-CA 3.42Å; D316-C353 VanDerWaalsContact OD2-CB 3.29Å; D316-C353 WeakPolarHBondContact OD2-CB 3.48Å; T317-C353 WeakPolarHBondContact O-CB 3.38Å; C318-C353 WeakPolarHBondContact CA-SG 3.35Å; C318-C353 HydrophobicContact CB-CB 4.14Å; C318-C353 WeakPolarHBondContact CB-SG 3.47Å; C318-C353 WeakPolarHBondContact SG-CB 3.49Å; C318-C353 CovalentContact SG-SG 2.1Å; C318-C353 PolarHBondContact SG-SG 2.82Å; Q319-C353 PolarHBondContact NE2-SG 2.63Å; I351-C353 PolarHBondContact O-N 2.85Å; C353-L355 PolarHBondContact O-N 3.13Å
354G72Confident83.7Confident7 Ų718.9 Ų18.97%0.07212%0.118CC..SBendtrans4718153.900000117.8R68 D316 N356R68-G354 PolarHBondContact NH1-O 2.85Å; D316-G354 VanDerWaalsContact CG-N 3.35Å; D316-G354 PolarHBondContact OD2-N 3.15Å; G354-N356 PolarHBondContact O-N 2.68Å
355L73.6Confident83.6Confident46 Ų4618.9 Ų18.924%0.24112%0.117CC..  trans-68.2123.2178.1-85.1179.4000107.6I351 Q352 C353 G357 I358I351-L355 HydrophobicContact CG2-CD1 4.08Å; Q352-L355 HydrophobicContact CB-CD1 3.81Å; Q352-L355 HydrophobicContact CB-CG 3.95Å; Q352-L355 HydrophobicContact CG-CD1 4.15Å; C353-L355 PolarHBondContact O-N 3.13Å; L355-G357 PolarHBondContact O-N 2.87Å; L355-I358 HydrophobicContact CB-CB 3.73Å; L355-I358 HydrophobicContact CB-CG1 4.01Å; L355-I358 HydrophobicContact CB-CG2 4.48Å; L355-I358 HydrophobicContact CD1-CB 4.49Å; L355-I358 HydrophobicContact CD1-CG1 4.42Å; L355-I358 PolarHBondContact O-N 3.05Å; L355-I358 VanDerWaalsContact O-O 3.12Å
356N79.6Confident83.2Confident100 Ų10024.8 Ų24.854%0.53514%0.14SC..THydrogen-bonded Turntrans-59.5127.6177.7-173.934.6000109.8G354 I358G354-N356 PolarHBondContact O-N 2.68Å; N356-I358 VanDerWaalsContact C-N 3.32Å
357G83.8Confident82.7Confident23 Ų2327.3 Ų27.324%0.23716%0.157CC..THydrogen-bonded Turntrans82.2-2.8-176.400000115.6K260 G310 L355K260-G357 WeakPolarHBondContact CD-O 3.43Å; G310-G357 WeakPolarHBondContact O-CA 3.23Å; G310-G357 PolarHBondContact O-N 2.88Å; L355-G357 PolarHBondContact O-N 2.87Å
358I85.7Confident82.4Confident26 Ų2627.5 Ų27.513%0.13316%0.157CC..  trans-120.4112.3-177.6-54.5-62.5000109.3K260 L261 K264 G310 L355 N356K260-I358 HydrophobicContact CB-CD1 4.36Å; L261-I358 HydrophobicContact CB-CG2 4.25Å; L261-I358 HydrophobicContact CD1-CG2 3.56Å; K264-I358 HydrophobicContact CB-CD1 4.08Å; K264-I358 HydrophobicContact CG-CD1 4.38Å; G310-I358 WeakPolarHBondContact CA-O 3.25Å; L355-I358 HydrophobicContact CB-CB 3.73Å; L355-I358 HydrophobicContact CB-CG1 4.01Å; L355-I358 HydrophobicContact CB-CG2 4.48Å; L355-I358 HydrophobicContact CD1-CB 4.49Å; L355-I358 HydrophobicContact CD1-CG1 4.42Å; L355-I358 PolarHBondContact O-N 3.05Å; L355-I358 VanDerWaalsContact O-O 3.12Å; N356-I358 VanDerWaalsContact C-N 3.32Å
359P88.5Confident82.1Confident3 Ų327.5 Ų27.52%0.01916%0.157CC..PPolyproline II helixtrans-78.8167.8176.633.5-36.5000112.3E256 L261 C307 A308 G309E256-P359 HydrophobicContact CB-CB 4.06Å; E256-P359 HydrophobicContact CB-CG 4.22Å; L261-P359 HydrophobicContact CB-CG 4.16Å; L261-P359 WeakPolarHBondContact CD1-O 3.13Å; C307-P359 HydrophobicContact CB-CB 3.89Å; C307-P359 HydrophobicContact CB-CG 3.79Å; A308-P359 WeakPolarHBondContact O-CA 3.33Å; A308-P359 VanDerWaalsContact O-CB 3.29Å; A308-P359 WeakPolarHBondContact O-CB 3.27Å; G309-P359 WeakPolarHBondContact O-CB 3.46Å
360S88Confident82.2Confident2 Ų230.6 Ų30.61%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-102158.4171.8-72.70000112.1C307 A308 D316 Y362C307-S360 WeakPolarHBondContact CA-O 3.3Å; A308-S360 PolarHBondContact N-O 3.14Å; A308-S360 VanDerWaalsContact N-O 3.09Å; A308-S360 PolarHBondContact O-N 2.92Å; D316-S360 WeakPolarHBondContact OD1-CB 3.43Å; D316-S360 PolarHBondContact OD1-OG 2.89Å; D316-S360 PolarHBondContact OD2-OG 3.09Å; S360-Y362 WeakPolarHBondContact O-CD2 3.31Å
361I88.1Confident83.1Confident10 Ų1030.8 Ų30.85%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-89.7133.7-178.3-57.7-179.8000110.4L261 Y305 S348 S349L261-I361 HydrophobicContact CD2-CD1 3.68Å; L261-I361 HydrophobicContact CD2-CG1 3.3Å; Y305-I361 HydrophobicContact CD1-CG2 4.09Å; Y305-I361 HydrophobicContact CG-CG2 4.43Å; S348-I361 PolarHBondContact N-O 3.44Å; S348-I361 VanDerWaalsContact N-O 3.09Å; S349-I361 PolarHBondContact N-O 3.08Å; S349-I361 WeakPolarHBondContact O-CA 3.37Å; S349-I361 WeakPolarHBondContact O-CB 3.44Å; S349-I361 PolarHBondContact O-N 3.03Å
362Y90.8Very high84.1Confident0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-123.5138.3170.9-62.5-99.2000109.3V228 L306 A308 T317 L326 I346 A347 S360 P364V228-Y362 HydrophobicContact CB-CE1 4.32Å; V228-Y362 HydrophobicContact CG2-CE1 3.81Å; L306-Y362 PolarHBondContact N-O 3.46Å; L306-Y362 PolarHBondContact O-N 3.04Å; A308-Y362 HydrophobicContact CB-CD2 4.06Å; A308-Y362 HydrophobicContact CB-CE2 3.7Å; T317-Y362 HydrophobicContact CG2-CE1 4.15Å; T317-Y362 WeakPolarHBondContact CG2-OH 3.36Å; L326-Y362 HydrophobicContact CB-CD1 3.67Å; L326-Y362 HydrophobicContact CB-CE1 3.92Å; L326-Y362 HydrophobicContact CB-CG 4.42Å; L326-Y362 HydrophobicContact CD1-CD1 4.38Å; L326-Y362 HydrophobicContact CD1-CE1 4.03Å; L326-Y362 HydrophobicContact CD2-CD1 3.85Å; L326-Y362 HydrophobicContact CD2-CD2 4.15Å; L326-Y362 HydrophobicContact CD2-CE1 4.29Å; L326-Y362 HydrophobicContact CD2-CG 3.78Å; L326-Y362 HydrophobicContact CG-CD1 4.17Å; L326-Y362 HydrophobicContact CG-CE1 4.3Å; I346-Y362 CarbonylContact O-C 3.54Å; I346-Y362 WeakPolarHBondContact O-CA 3.5Å; I346-Y362 WeakPolarHBondContact O-CB 3.41Å; A347-Y362 HydrophobicContact CB-CD1 4.24Å; A347-Y362 HydrophobicContact CB-CE1 3.97Å; S360-Y362 WeakPolarHBondContact O-CD2 3.31Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.34Å
363T90.5Very high84.8Confident2 Ų229.2 Ų29.21%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-76.7115.6171.1-49.20000107.7D183 I184 G345 I346 Y368D183-T363 PolarHBondContact O-OG1 3Å; I184-T363 HydrophobicContact CB-CG2 4.07Å; G345-T363 CarbonylContact C-O 3.57Å; G345-T363 WeakPolarHBondContact CA-O 3.06Å; I346-T363 PolarHBondContact N-O 3.41Å; I346-T363 PolarHBondContact O-N 2.83Å; T363-Y368 HydrophobicContact CG2-CD2 4.2Å; T363-Y368 HydrophobicContact CG2-CE2 3.5Å; T363-Y368 VanDerWaalsContact CG2-CE2 3.5Å
364P88.9Confident85.7Confident6 Ų633.4 Ų33.44%0.03918%0.183CC..EExtended strand (participates in β ladder)trans-63.3143.3177.121.4-28.9000109.9S304 L306 A344 Y362 P367 Y368S304-P364 WeakPolarHBondContact O-CD 3.33Å; S304-P364 WeakPolarHBondContact O-CG 3.47Å; S304-P364 WeakPolarHBondContact OG-CG 3.35Å; L306-P364 HydrophobicContact CD1-CB 3.81Å; L306-P364 HydrophobicContact CG-CB 3.85Å; L306-P364 HydrophobicContact CG-CG 4.44Å; A344-P364 WeakPolarHBondContact O-CA 3.39Å; Y362-P364 VanDerWaalsContact O-CD 3.3Å; Y362-P364 WeakPolarHBondContact O-CD 3.34Å; P364-P367 HydrophobicContact CB-CG 4.34Å; P364-P367 HydrophobicContact CG-CG 4Å; P364-Y368 WeakPolarHBondContact O-CD2 3.47Å; P364-Y368 WeakPolarHBondContact O-CE2 3.32Å
365I86Confident86.7Confident1 Ų136.2 Ų36.21%0.00520%0.195CC..SBendtrans-81.4-33178.7-51.3-47.1000112.5L123 I184 L213 V343 A344 I346 Y368 L369 I372L123-I365 HydrophobicContact CD2-CD1 3.73Å; L123-I365 HydrophobicContact CD2-CG1 4.33Å; I184-I365 HydrophobicContact CD1-CD1 4.33Å; L213-I365 HydrophobicContact CD1-CG2 4.16Å; L213-I365 HydrophobicContact CD2-CB 3.8Å; L213-I365 HydrophobicContact CD2-CG1 4.19Å; L213-I365 HydrophobicContact CD2-CG2 3.39Å; L213-I365 HydrophobicContact CG-CG2 4.34Å; V343-I365 HydrophobicContact CG1-CG1 3.79Å; A344-I365 PolarHBondContact O-N 3.42Å; I346-I365 HydrophobicContact CG1-CD1 4.14Å; I346-I365 HydrophobicContact CG2-CD1 4.19Å; I365-Y368 PolarHBondContact O-N 3.11Å; I365-L369 HydrophobicContact CG2-CD2 3.7Å; I365-L369 PolarHBondContact O-N 2.89Å; I365-I372 HydrophobicContact CG2-CD1 3.61Å
366Y81.8Confident87.4Confident125 Ų12534.6 Ų34.649%0.4919%0.187SC..G310 helixtrans-51.1-47.6-172.4173.7-112.2000115.4D215 Y368 L369D215-Y366 HydrophobicContact CB-CD2 3.98Å; D215-Y366 HydrophobicContact CB-CE2 3.48Å; D215-Y366 VanDerWaalsContact CB-CE2 3.48Å; D215-Y366 VanDerWaalsContact O-CE2 3.27Å; D215-Y366 WeakPolarHBondContact O-CE2 2.76Å; Y366-Y368 PolarHBondContact O-N 2.98Å; Y366-Y368 VanDerWaalsContact O-N 3.1Å; Y366-L369 HydrophobicContact CD2-CD1 3.79Å; Y366-L369 HydrophobicContact CE2-CD1 4.42Å; Y366-L369 WeakPolarHBondContact O-CG 3.25Å; Y366-L369 PolarHBondContact O-N 3.34Å
367P82.8Confident87.6Confident53 Ų5332 Ų3234%0.34418%0.184SC..G310 helixtrans-63-19.6179.8-20.432.6000113.8S304 P364S304-P367 WeakPolarHBondContact OG-CG 3.49Å; P364-P367 HydrophobicContact CB-CG 4.34Å; P364-P367 HydrophobicContact CG-CG 4Å
368Y87.5Confident87.1Confident4 Ų434.8 Ų34.82%0.01619%0.188CC..G310 helixtrans-106.42.9-173.2-51.2-76.4000113.3H171 P182 I184 F303 T363 P364 I365 Y366 N370 W371 I372H171-Y368 AromaticContact CD2-CD1 3.58Å; H171-Y368 AromaticContact CD2-CE1 3.95Å; H171-Y368 AromaticContact NE2-CD1 3.55Å; H171-Y368 AromaticContact NE2-CE1 3.76Å; P182-Y368 HydrophobicContact CB-CE1 3.68Å; P182-Y368 HydrophobicContact CG-CE1 4.1Å; I184-Y368 HydrophobicContact CD1-CD2 3.85Å; I184-Y368 HydrophobicContact CD1-CG 3.87Å; I184-Y368 HydrophobicContact CG2-CD1 3.98Å; I184-Y368 HydrophobicContact CG2-CD2 4.36Å; I184-Y368 HydrophobicContact CG2-CE1 4.19Å; I184-Y368 HydrophobicContact CG2-CG 4.06Å; F303-Y368 VanDerWaalsContact CB-OH 3.3Å; F303-Y368 WeakPolarHBondContact CB-OH 3.24Å; F303-Y368 HydrophobicContact CD1-CE1 4.17Å; F303-Y368 PolarHBondContact O-OH 2.83Å; T363-Y368 HydrophobicContact CG2-CD2 4.2Å; T363-Y368 HydrophobicContact CG2-CE2 3.5Å; T363-Y368 VanDerWaalsContact CG2-CE2 3.5Å; P364-Y368 WeakPolarHBondContact O-CD2 3.47Å; P364-Y368 WeakPolarHBondContact O-CE2 3.32Å; I365-Y368 PolarHBondContact O-N 3.11Å; Y366-Y368 PolarHBondContact O-N 2.98Å; Y366-Y368 VanDerWaalsContact O-N 3.1Å; Y368-N370 VanDerWaalsContact C-N 3.31Å; Y368-N370 PolarHBondContact O-N 3.09Å; Y368-W371 WeakPolarHBondContact O-CA 3.02Å; Y368-W371 WeakPolarHBondContact O-CB 3.44Å; Y368-W371 PolarHBondContact O-N 2.8Å; Y368-I372 WeakPolarHBondContact O-CG1 3.4Å; Y368-I372 PolarHBondContact O-N 2.7Å
369L84.5Confident85.9Confident6 Ų633.8 Ų33.83%0.03118%0.184CC..Hα-helixtrans-56.4-44.5-177.4-62.8-178.6000113L213 I365 Y366 W371 I372 E373 G379L213-L369 HydrophobicContact CB-CD1 4.19Å; L213-L369 HydrophobicContact CB-CD2 3.45Å; L213-L369 VanDerWaalsContact CB-CD2 3.45Å; L213-L369 HydrophobicContact CB-CG 4.48Å; L213-L369 HydrophobicContact CD1-CD2 3.36Å; L213-L369 HydrophobicContact CD2-CD2 4.12Å; L213-L369 HydrophobicContact CG-CD2 3.78Å; I365-L369 HydrophobicContact CG2-CD2 3.7Å; I365-L369 PolarHBondContact O-N 2.89Å; Y366-L369 HydrophobicContact CD2-CD1 3.79Å; Y366-L369 HydrophobicContact CE2-CD1 4.42Å; Y366-L369 WeakPolarHBondContact O-CG 3.25Å; Y366-L369 PolarHBondContact O-N 3.34Å; L369-W371 VanDerWaalsContact C-N 3.27Å; L369-W371 PolarHBondContact O-N 2.79Å; L369-I372 PolarHBondContact O-N 2.8Å; L369-E373 VanDerWaalsContact O-CB 3.27Å; L369-E373 WeakPolarHBondContact O-CB 3.02Å; L369-E373 PolarHBondContact O-N 3.2Å; L369-G379 WeakPolarHBondContact CD2-O 3.18Å
370N86.8Confident84.4Confident105 Ų10538.6 Ų38.656%0.56121%0.205SC*.Hα-helixtrans-63.5-36.4177.9-65.7-20.4000111.4Y368 S374 K380Y368-N370 VanDerWaalsContact C-N 3.31Å; Y368-N370 PolarHBondContact O-N 3.09Å; N370-S374 VanDerWaalsContact O-CB 3.28Å; N370-S374 WeakPolarHBondContact O-CB 3.38Å; N370-S374 PolarHBondContact O-N 3.22Å; N370-S374 PolarHBondContact O-OG 3.35Å; N370-K380 PolarHBondContact OD1-NZ 2.96Å
371W91.3Very high82.7Confident36 Ų3643.2 Ų43.214%0.13623%0.229CC..Hα-helixtrans-68.2-48.3176.2171.775.1000111.1I169 H171 I184 L186 Y368 L369 E373 S374 I375I169-W371 HydrophobicContact CG2-CZ2 4.14Å; H171-W371 HydrophobicContact CB-CH2 4.3Å; H171-W371 HydrophobicContact CB-CZ2 4.13Å; H171-W371 AromaticContact CD2-CD2 3.68Å; H171-W371 AromaticContact CD2-CE2 3.93Å; H171-W371 AromaticContact CD2-CG 3.89Å; I184-W371 HydrophobicContact CD1-CZ3 4.14Å; I184-W371 HydrophobicContact CG1-CZ3 3.94Å; I184-W371 HydrophobicContact CG2-CE3 4.45Å; I184-W371 HydrophobicContact CG2-CH2 4.48Å; I184-W371 HydrophobicContact CG2-CZ3 3.99Å; L186-W371 HydrophobicContact CD1-CE3 4.5Å; L186-W371 HydrophobicContact CD1-CH2 3.76Å; L186-W371 HydrophobicContact CD1-CZ2 4.18Å; L186-W371 HydrophobicContact CD1-CZ3 3.92Å; L186-W371 HydrophobicContact CG-CH2 3.81Å; L186-W371 HydrophobicContact CG-CZ3 4.02Å; Y368-W371 WeakPolarHBondContact O-CA 3.02Å; Y368-W371 WeakPolarHBondContact O-CB 3.44Å; Y368-W371 PolarHBondContact O-N 2.8Å; L369-W371 VanDerWaalsContact C-N 3.27Å; L369-W371 PolarHBondContact O-N 2.79Å; W371-E373 VanDerWaalsContact C-N 3.3Å; W371-E373 PolarHBondContact O-N 3.34Å; W371-S374 PolarHBondContact O-N 3.06Å; W371-S374 PolarHBondContact O-OG 3.35Å; W371-I375 WeakPolarHBondContact O-CG1 3.43Å; W371-I375 PolarHBondContact O-N 3.1Å
372I90.3Very high80.4Confident2 Ų249.8 Ų49.81%0.0126%0.257CS..Hα-helixtrans-58.6-44.7176.9-59.8168.2000110.3I117 L123 I184 L186 I365 Y368 L369 I375 T376 Y378I117-I372 HydrophobicContact CD1-CG2 3.76Å; L123-I372 HydrophobicContact CD1-CD1 4.14Å; I184-I372 HydrophobicContact CD1-CD1 4.12Å; L186-I372 HydrophobicContact CD2-CG2 4.33Å; I365-I372 HydrophobicContact CG2-CD1 3.61Å; Y368-I372 WeakPolarHBondContact O-CG1 3.4Å; Y368-I372 PolarHBondContact O-N 2.7Å; L369-I372 PolarHBondContact O-N 2.8Å; I372-I375 PolarHBondContact O-N 3.09Å; I372-T376 HydrophobicContact CG2-CG2 4.3Å; I372-T376 WeakPolarHBondContact O-CB 3.07Å; I372-T376 WeakPolarHBondContact O-CG2 3.2Å; I372-T376 PolarHBondContact O-N 3.13Å; I372-T376 PolarHBondContact O-OG1 3.46Å; I372-Y378 CarbonylContact C-O 3.53Å; I372-Y378 WeakPolarHBondContact CG2-O 3.3Å
373E87.6Confident77.6Confident55 Ų5555 Ų5526%0.25729%0.291SS..Hα-helixtrans-64.2-43.2178.5-171.4173.3-166.900111.9L369 W371 I375 G377 Y378L369-E373 VanDerWaalsContact O-CB 3.27Å; L369-E373 WeakPolarHBondContact O-CB 3.02Å; L369-E373 PolarHBondContact O-N 3.2Å; W371-E373 VanDerWaalsContact C-N 3.3Å; W371-E373 PolarHBondContact O-N 3.34Å; E373-I375 PolarHBondContact O-N 3.05Å; E373-G377 VanDerWaalsContact O-CA 3.24Å; E373-G377 WeakPolarHBondContact O-CA 3.38Å; E373-G377 PolarHBondContact O-N 3.5Å; E373-Y378 WeakPolarHBondContact CA-O 3.36Å; E373-Y378 PolarHBondContact N-O 3.3Å
374S91.9Very high74.8Confident90 Ų9061 Ų6163%0.62932%0.317SS*.Hα-helixtrans-62.2-29.9-179.972.20000113.6N370 W371N370-S374 VanDerWaalsContact O-CB 3.28Å; N370-S374 WeakPolarHBondContact O-CB 3.38Å; N370-S374 PolarHBondContact O-N 3.22Å; N370-S374 PolarHBondContact O-OG 3.35Å; W371-S374 PolarHBondContact O-N 3.06Å; W371-S374 PolarHBondContact O-OG 3.35Å
375I93.5Very high72Confident65 Ų6573 Ų7333%0.33337%0.373SS..Hα-helixtrans-90.8-43.7-178.8-62.8-60.3000111.4W121 I169 L186 W371 I372 E373W121-I375 HydrophobicContact CH2-CG2 3.79Å; W121-I375 HydrophobicContact CZ3-CG2 4.05Å; I169-I375 HydrophobicContact CD1-CG2 3.41Å; I169-I375 VanDerWaalsContact CD1-CG2 3.41Å; I169-I375 HydrophobicContact CG2-CG2 4.46Å; L186-I375 HydrophobicContact CD1-CB 3.99Å; L186-I375 HydrophobicContact CD1-CG2 3.81Å; W371-I375 WeakPolarHBondContact O-CG1 3.43Å; W371-I375 PolarHBondContact O-N 3.1Å; I372-I375 PolarHBondContact O-N 3.09Å; E373-I375 PolarHBondContact O-N 3.05Å
376T87.7Confident71.3Confident12 Ų1276.6 Ų76.67%0.07439%0.391CS..Hα-helixtrans-102.1-18.3-167.871.60000113.5I117 W121 L186 I372 Y378I117-T376 HydrophobicContact CD1-CG2 4.27Å; W121-T376 HydrophobicContact CB-CG2 4.32Å; W121-T376 HydrophobicContact CD2-CG2 3.51Å; W121-T376 HydrophobicContact CE3-CG2 3.66Å; W121-T376 HydrophobicContact CG-CG2 3.84Å; W121-T376 HydrophobicContact CH2-CG2 4.43Å; W121-T376 HydrophobicContact CZ2-CG2 4.33Å; W121-T376 HydrophobicContact CZ3-CG2 4.11Å; L186-T376 HydrophobicContact CD1-CG2 3.66Å; L186-T376 HydrophobicContact CD2-CG2 4.07Å; L186-T376 HydrophobicContact CG-CG2 4.43Å; I372-T376 HydrophobicContact CG2-CG2 4.3Å; I372-T376 WeakPolarHBondContact O-CB 3.07Å; I372-T376 WeakPolarHBondContact O-CG2 3.2Å; I372-T376 PolarHBondContact O-N 3.13Å; I372-T376 PolarHBondContact O-OG1 3.46Å; T376-Y378 WeakPolarHBondContact O-CD2 3.31Å; T376-Y378 VanDerWaalsContact O-CE2 3.25Å; T376-Y378 WeakPolarHBondContact O-CE2 3.43Å; T376-Y378 PolarHBondContact OG1-N 3.39Å; T376-Y378 PolarHBondContact OG1-O 3.07Å
377G84Confident70.7Confident45 Ų4574.1 Ų74.146%0.46439%0.386SS..SBendtrans77.12.5-166.900000114.2E373E373-G377 VanDerWaalsContact O-CA 3.24Å; E373-G377 WeakPolarHBondContact O-CA 3.38Å; E373-G377 PolarHBondContact O-N 3.5Å
378Y72.5Confident70Confident82 Ų8275.2 Ų75.232%0.32239%0.388SS..  trans-124.2134.8-177.3-51-67.5000109.7W121 F210 I372 E373 T376W121-Y378 AromaticContact CD1-CE2 3.83Å; F210-Y378 HydrophobicContact CD1-CD1 4Å; F210-Y378 HydrophobicContact CD1-CG 4.3Å; F210-Y378 AromaticContact CE1-CD1 3.04Å; F210-Y378 HydrophobicContact CE1-CD1 3.04Å; F210-Y378 HydrophobicContact CE1-CD2 4.37Å; F210-Y378 AromaticContact CE1-CE1 3.58Å; F210-Y378 HydrophobicContact CE1-CE1 3.58Å; F210-Y378 AromaticContact CE1-CG 3.49Å; F210-Y378 HydrophobicContact CE1-CG 3.49Å; F210-Y378 VanDerWaalsContact CE1-CG 3.49Å; F210-Y378 AromaticContact CE2-CD1 3.99Å; F210-Y378 HydrophobicContact CE2-CD1 3.99Å; F210-Y378 HydrophobicContact CE2-CE1 4.12Å; F210-Y378 AromaticContact CZ-CD1 3.05Å; F210-Y378 HydrophobicContact CZ-CD1 3.05Å; F210-Y378 AromaticContact CZ-CE1 3.15Å; F210-Y378 HydrophobicContact CZ-CE1 3.15Å; F210-Y378 AromaticContact CZ-CG 3.98Å; F210-Y378 HydrophobicContact CZ-CG 3.98Å; I372-Y378 CarbonylContact C-O 3.53Å; I372-Y378 WeakPolarHBondContact CG2-O 3.3Å; E373-Y378 WeakPolarHBondContact CA-O 3.36Å; E373-Y378 PolarHBondContact N-O 3.3Å; T376-Y378 WeakPolarHBondContact O-CD2 3.31Å; T376-Y378 VanDerWaalsContact O-CE2 3.25Å; T376-Y378 WeakPolarHBondContact O-CE2 3.43Å; T376-Y378 PolarHBondContact OG1-N 3.39Å; T376-Y378 PolarHBondContact OG1-O 3.07Å
379G61.4Low69Low6 Ų679.4 Ų79.46%0.06241%0.41CS..SBendtrans170.7-21.2177.400000116.2L369L369-G379 WeakPolarHBondContact CD2-O 3.18Å
380K57.2Low68Low104 Ų10484 Ų8445%0.45243%0.434SS..SBendtrans-117.7155164.1-73.6170.9-173151.60108.7N370 K382N370-K380 PolarHBondContact OD1-NZ 2.96Å; K380-K382 VanDerWaalsContact C-N 3.25Å; K380-K382 PolarHBondContact O-N 2.91Å
381L51.5Low66.8Low98 Ų9882.6 Ų82.651%0.51343%0.425SS..  trans-49.998163.8-67.4166.6000107.3L212 P383L212-L381 HydrophobicContact CD2-CD1 3.69Å; L212-L381 HydrophobicContact CD2-CD2 3.55Å; L212-L381 HydrophobicContact CD2-CG 4.06Å; L212-L381 HydrophobicContact CG-CD2 4.23Å; L381-P383 VanDerWaalsContact C-CD 3.47Å; L381-P383 WeakPolarHBondContact O-CD 3.34Å
382K39.9Very low65Low148 Ų14885.9 Ų85.964%0.64345%0.446SS*.  trans-79.6100148-75.1-171.4178.1179.30103.2K380 F384K380-K382 VanDerWaalsContact C-N 3.25Å; K380-K382 PolarHBondContact O-N 2.91Å; K382-F384 PolarHBondContact O-N 3.17Å
383P32.4Very low63.1Low109 Ų10992.4 Ų92.471%0.70848%0.479SS*.  trans-51132.9160.324.2-31.4000106.3L381 E385L381-P383 VanDerWaalsContact C-CD 3.47Å; L381-P383 WeakPolarHBondContact O-CD 3.34Å; P383-E385 PolarHBondContact O-N 3.37Å
384F30.7Very low61.1Low130 Ų13095.5 Ų95.557%0.5750%0.498SS*.  trans-53.5125.1174.1-119.3-96.5000107.8K208 K382K208-F384 HydrophobicContact CB-CD2 4.43Å; K208-F384 HydrophobicContact CB-CE2 3.68Å; K208-F384 HydrophobicContact CB-CZ 4.32Å; K208-F384 HydrophobicContact CD-CE1 4.46Å; K208-F384 HydrophobicContact CD-CE2 3.74Å; K208-F384 HydrophobicContact CD-CZ 3.51Å; K208-F384 HydrophobicContact CG-CE2 3.89Å; K208-F384 HydrophobicContact CG-CZ 4.09Å; K382-F384 PolarHBondContact O-N 3.17Å
385E30Very low58.2Low257 Ų25796 Ų96100%1.20149%0.486SS*.  trans-68.10161.6-77.7-175.3167.400110P383P383-E385 PolarHBondContact O-N 3.37Å

Retrieved 385 of 385 residues in 106.9 ms (Link to these results)

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