A0A077Z752_TRITR Loading...

DUF572 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z752, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1G68.8Low82.4Confident131 Ų131129.9 Ų129.9100%1.35167%0.67SS**  0130.9000000108.8
2E82.6Confident82.8Confident159 Ų159128.6 Ų128.674%0.74368%0.676SS**  trans-63.6152.8177.2-64.9178.3163.600111.9K4 G5E2-K4 PolarHBondContact O-N 3.43Å; E2-K4 VanDerWaalsContact O-N 3.13Å; E2-G5 PolarHBondContact O-N 3.31Å; E2-G5 VanDerWaalsContact O-N 3.15Å
3R78.1Confident83.2Confident223 Ų223129.5 Ų129.584%0.84268%0.681SS**THydrogen-bonded Turntrans-54.4-34.6179-170.7-177.18091.5-15.3112.7
4K84.9Confident83.4Confident155 Ų155122.6 Ų122.667%0.67464%0.642SS**THydrogen-bonded Turntrans-122.747178.3-65.3-174.9175.5-178.90110.8E2 T6E2-K4 PolarHBondContact O-N 3.43Å; E2-K4 VanDerWaalsContact O-N 3.13Å; K4-T6 PolarHBondContact O-N 3.07Å
5G83.2Confident83.4Confident28 Ų28118.4 Ų118.429%0.28962%0.62SS.*  trans-53.3118.917400000110.3E2E2-G5 PolarHBondContact O-N 3.31Å; E2-G5 VanDerWaalsContact O-N 3.15Å
6T85Confident83.4Confident128 Ų128116.8 Ų116.879%0.78562%0.619SS**SBendtrans-64.8-43.7179.1470000110.5K4K4-T6 PolarHBondContact O-N 3.07Å
7N85Confident83.5Confident146 Ų146123.5 Ų123.578%0.78163%0.634SS**  trans-107.5133.8179-62.9-25000110.1
8K82.9Confident83.1Confident139 Ų139125.2 Ų125.260%0.60464%0.636SS**  trans-112.8140.9170.3-66168.2-172.8168.90106.9Y10K8-Y10 HydrophobicContact CB-CE2 4.18Å; K8-Y10 WeakPolarHBondContact O-CD2 3.27Å; K8-Y10 WeakPolarHBondContact O-CE2 3.43Å; K8-Y10 PolarHBondContact O-N 3Å
9Y85Confident82.9Confident178 Ų178119.9 Ų119.970%0.69862%0.616SS**  trans-65.5123.5172.3175.3-103.5000109.2P11 P12Y9-P11 HydrophobicContact CE1-CB 4.35Å; Y9-P11 HydrophobicContact CE1-CG 4.14Å; Y9-P12 WeakPolarHBondContact OH-CD 3.35Å
10Y86Confident82.8Confident124 Ų124116.2 Ų116.249%0.48661%0.609SS.*  trans-106.7121170-66.6-84.1000107.4K8 Y14 L21K8-Y10 HydrophobicContact CB-CE2 4.18Å; K8-Y10 WeakPolarHBondContact O-CD2 3.27Å; K8-Y10 WeakPolarHBondContact O-CE2 3.43Å; K8-Y10 PolarHBondContact O-N 3Å; Y10-Y14 AromaticContact CD1-CD1 3.51Å; Y10-Y14 HydrophobicContact CD1-CD1 3.51Å; Y10-Y14 AromaticContact CD1-CE1 3.42Å; Y10-Y14 HydrophobicContact CD1-CE1 3.42Å; Y10-Y14 VanDerWaalsContact CD1-CE1 3.42Å; Y10-Y14 HydrophobicContact CD1-CG 4.44Å; Y10-Y14 HydrophobicContact CE1-CD1 4.36Å; Y10-Y14 AromaticContact CE1-CE1 3.82Å; Y10-Y14 HydrophobicContact CE1-CE1 3.82Å; Y10-Y14 HydrophobicContact CG-CD1 4.21Å; Y10-Y14 HydrophobicContact CG-CE1 4.44Å; Y10-L21 HydrophobicContact CD1-CD1 4.32Å; Y10-L21 HydrophobicContact CE1-CB 4.36Å
11P85.5Confident82.7Confident18 Ų18112 Ų11212%0.11759%0.587CS.*  trans-55.5145.6175.9-21.629.4000111.2Y9 D13 Y14 W24Y9-P11 HydrophobicContact CE1-CB 4.35Å; Y9-P11 HydrophobicContact CE1-CG 4.14Å; P11-D13 PolarHBondContact O-N 3.15Å; P11-D13 VanDerWaalsContact O-N 3.13Å; P11-Y14 WeakPolarHBondContact O-CB 3.27Å; P11-Y14 PolarHBondContact O-N 3.03Å; P11-W24 HydrophobicContact CB-CH2 3.82Å; P11-W24 HydrophobicContact CB-CZ2 3.89Å; P11-W24 HydrophobicContact CB-CZ3 4.41Å; P11-W24 HydrophobicContact CG-CD2 4.49Å; P11-W24 HydrophobicContact CG-CE3 4.04Å; P11-W24 HydrophobicContact CG-CH2 3.38Å; P11-W24 HydrophobicContact CG-CZ2 3.84Å; P11-W24 HydrophobicContact CG-CZ3 3.49Å; P11-W24 VanDerWaalsContact CG-CZ3 3.49Å
12P86.3Confident83.1Confident114 Ų114109.2 Ų109.274%0.7454%0.541SS*.THydrogen-bonded Turntrans-54.8-33.2178.4-25.933.2000113.6Y9 Y14Y9-P12 WeakPolarHBondContact OH-CD 3.35Å; P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 3.34Å
13D88.2Confident82.9Confident140 Ų140109 Ų10975%0.74954%0.537SS*.THydrogen-bonded Turntrans-82.4-2.4179.9-52.4-37.8000113.7P11 D15P11-D13 PolarHBondContact O-N 3.15Å; P11-D13 VanDerWaalsContact O-N 3.13Å; D13-D15 PolarHBondContact O-N 2.86Å
14Y85.7Confident82.9Confident34 Ų34104.6 Ų104.613%0.13352%0.521CS..  trans-77.3109179.8172.4-106.4000110.7Y10 P11 P12 P16 G19 G20 L21 W24Y10-Y14 AromaticContact CD1-CD1 3.51Å; Y10-Y14 HydrophobicContact CD1-CD1 3.51Å; Y10-Y14 AromaticContact CD1-CE1 3.42Å; Y10-Y14 HydrophobicContact CD1-CE1 3.42Å; Y10-Y14 VanDerWaalsContact CD1-CE1 3.42Å; Y10-Y14 HydrophobicContact CD1-CG 4.44Å; Y10-Y14 HydrophobicContact CE1-CD1 4.36Å; Y10-Y14 AromaticContact CE1-CE1 3.82Å; Y10-Y14 HydrophobicContact CE1-CE1 3.82Å; Y10-Y14 HydrophobicContact CG-CD1 4.21Å; Y10-Y14 HydrophobicContact CG-CE1 4.44Å; P11-Y14 WeakPolarHBondContact O-CB 3.27Å; P11-Y14 PolarHBondContact O-N 3.03Å; P12-Y14 VanDerWaalsContact C-N 3.29Å; P12-Y14 PolarHBondContact O-N 3.34Å; Y14-P16 HydrophobicContact CE1-CB 4.06Å; Y14-P16 WeakPolarHBondContact O-CD 3.29Å; Y14-G19 VanDerWaalsContact CE2-O 3.23Å; Y14-G19 WeakPolarHBondContact CE2-O 3.35Å; Y14-G19 VanDerWaalsContact CZ-O 3.28Å; Y14-G19 PolarHBondContact OH-O 3.01Å; Y14-G20 WeakPolarHBondContact OH-CA 3.3Å; Y14-L21 HydrophobicContact CD2-CD1 4.33Å; Y14-L21 PolarHBondContact OH-N 2.83Å; Y14-W24 HydrophobicContact CD2-CB 3.7Å; Y14-W24 AromaticContact CD2-CD1 3.87Å; Y14-W24 HydrophobicContact CD2-CD2 4.41Å; Y14-W24 AromaticContact CD2-CG 3.71Å; Y14-W24 HydrophobicContact CD2-CG 3.71Å; Y14-W24 HydrophobicContact CE2-CB 3.94Å; Y14-W24 HydrophobicContact CE2-CG 4.44Å
15D83.7Confident82.7Confident59 Ų59102.2 Ų102.232%0.31651%0.512SS..  trans-88.8112.2170.6-176.7-4.1000110.2D13 R17 K18D13-D15 PolarHBondContact O-N 2.86Å; D15-R17 PolarHBondContact O-N 3.04Å; D15-R17 VanDerWaalsContact O-N 3.08Å; D15-R17 WeakPolarHBondContact OD1-CB 2.81Å; D15-R17 PolarHBondContact OD1-N 3.33Å; D15-K18 HydrophobicContact CB-CD 3.99Å; D15-K18 HydrophobicContact CB-CG 4.03Å; D15-K18 PolarHBondContact O-N 2.96Å
16P83.4Confident82.4Confident93 Ų93104.3 Ų104.360%0.60453%0.534SS*.G310 helixtrans-61.1-20.4-17924.3-33.2000113.2Y14 K18 G19Y14-P16 HydrophobicContact CE1-CB 4.06Å; Y14-P16 WeakPolarHBondContact O-CD 3.29Å; P16-K18 VanDerWaalsContact C-N 3.29Å; P16-K18 PolarHBondContact O-N 2.71Å; P16-G19 PolarHBondContact O-N 3.42Å
17R84.7Confident82.2Confident231 Ų231101.2 Ų101.287%0.87252%0.515SS*.G310 helixtrans-69.7-25176.1-61.9178.2174.1179.3-0.7112.7D15 G19D15-R17 PolarHBondContact O-N 3.04Å; D15-R17 VanDerWaalsContact O-N 3.08Å; D15-R17 WeakPolarHBondContact OD1-CB 2.81Å; D15-R17 PolarHBondContact OD1-N 3.33Å; R17-G19 VanDerWaalsContact C-N 3.27Å; R17-G19 PolarHBondContact O-N 3.35Å
18K76Confident82Confident154 Ų15498.2 Ų98.267%0.6750%0.496SS*.G310 helixtrans-79.7-9.7-178.2-63.7-178-174.5173.60113.4D15 P16 K23D15-K18 HydrophobicContact CB-CD 3.99Å; D15-K18 HydrophobicContact CB-CG 4.03Å; D15-K18 PolarHBondContact O-N 2.96Å; P16-K18 VanDerWaalsContact C-N 3.29Å; P16-K18 PolarHBondContact O-N 2.71Å; K18-K23 PolarHBondContact O-NZ 2.91Å
19G80.5Confident81.9Confident24 Ų2495 Ų9525%0.24750%0.495CS..  trans129.2179175.600000112.4Y14 P16 R17Y14-G19 VanDerWaalsContact CE2-O 3.23Å; Y14-G19 WeakPolarHBondContact CE2-O 3.35Å; Y14-G19 VanDerWaalsContact CZ-O 3.28Å; Y14-G19 PolarHBondContact OH-O 3.01Å; P16-G19 PolarHBondContact O-N 3.42Å; R17-G19 VanDerWaalsContact C-N 3.27Å; R17-G19 PolarHBondContact O-N 3.35Å
20G81.2Confident81.8Confident46 Ų4690.1 Ų90.147%0.47448%0.481SS..  trans-63.2158.6179.900000113.6Y14 N22 K23 W24Y14-G20 WeakPolarHBondContact OH-CA 3.3Å; G20-N22 PolarHBondContact O-N 2.97Å; G20-K23 WeakPolarHBondContact O-CB 3.49Å; G20-K23 PolarHBondContact O-N 3.34Å; G20-W24 PolarHBondContact O-N 2.82Å
21L79.5Confident81.7Confident28 Ų2893.7 Ų93.715%0.14749%0.493CS..Hα-helixtrans-50.2-35.5179.3-173.865.4000113.3Y10 Y14 K23 W24 Q25Y10-L21 HydrophobicContact CD1-CD1 4.32Å; Y10-L21 HydrophobicContact CE1-CB 4.36Å; Y14-L21 HydrophobicContact CD2-CD1 4.33Å; Y14-L21 PolarHBondContact OH-N 2.83Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.23Å; L21-W24 HydrophobicContact CD1-CE3 4.18Å; L21-W24 WeakPolarHBondContact O-CB 3.48Å; L21-W24 PolarHBondContact O-N 3.41Å; L21-Q25 HydrophobicContact CG-CG 4.45Å; L21-Q25 WeakPolarHBondContact O-CG 3.27Å; L21-Q25 PolarHBondContact O-N 2.83Å
22N78.6Confident81.7Confident72 Ų72100.9 Ų100.939%0.38553%0.525SS..Hα-helixtrans-58.8-42.8175.6-68.5-15.2000112.3G20 W24 Q25 G26 T27G20-N22 PolarHBondContact O-N 2.97Å; N22-W24 VanDerWaalsContact C-N 3.35Å; N22-Q25 CarbonylContact O-C 3.17Å; N22-Q25 PolarHBondContact O-N 3.16Å; N22-G26 PolarHBondContact O-N 3.11Å; N22-T27 CarbonylContact C-O 3.58Å; N22-T27 WeakPolarHBondContact CB-O 3.37Å; N22-T27 PolarHBondContact O-N 3.08Å; N22-T27 PolarHBondContact O-OG1 3.22Å
23K78.4Confident81.8Confident154 Ų154102.7 Ų102.767%0.6752%0.517SS*.Hα-helixtrans-66.9-38.8177.6-171.3-177.5175.1-164.40111.1K18 G20 L21 G26K18-K23 PolarHBondContact O-NZ 2.91Å; G20-K23 WeakPolarHBondContact O-CB 3.49Å; G20-K23 PolarHBondContact O-N 3.34Å; L21-K23 VanDerWaalsContact C-N 3.34Å; L21-K23 PolarHBondContact O-N 3.23Å; K23-G26 PolarHBondContact O-N 3.37Å
24W76.9Confident81.7Confident132 Ų13296.6 Ų96.650%0.549%0.486SS..Hα-helixtrans-63.5-40.7174.4-176.888.7000111.8P11 Y14 G20 L21 N22 G26P11-W24 HydrophobicContact CB-CH2 3.82Å; P11-W24 HydrophobicContact CB-CZ2 3.89Å; P11-W24 HydrophobicContact CB-CZ3 4.41Å; P11-W24 HydrophobicContact CG-CD2 4.49Å; P11-W24 HydrophobicContact CG-CE3 4.04Å; P11-W24 HydrophobicContact CG-CH2 3.38Å; P11-W24 HydrophobicContact CG-CZ2 3.84Å; P11-W24 HydrophobicContact CG-CZ3 3.49Å; P11-W24 VanDerWaalsContact CG-CZ3 3.49Å; Y14-W24 HydrophobicContact CD2-CB 3.7Å; Y14-W24 AromaticContact CD2-CD1 3.87Å; Y14-W24 HydrophobicContact CD2-CD2 4.41Å; Y14-W24 AromaticContact CD2-CG 3.71Å; Y14-W24 HydrophobicContact CD2-CG 3.71Å; Y14-W24 HydrophobicContact CE2-CB 3.94Å; Y14-W24 HydrophobicContact CE2-CG 4.44Å; G20-W24 PolarHBondContact O-N 2.82Å; L21-W24 HydrophobicContact CD1-CE3 4.18Å; L21-W24 WeakPolarHBondContact O-CB 3.48Å; L21-W24 PolarHBondContact O-N 3.41Å; N22-W24 VanDerWaalsContact C-N 3.35Å; W24-G26 PolarHBondContact O-N 3.37Å
25Q80.3Confident81.8Confident105 Ų105103.4 Ų103.449%0.49151%0.512SS..THydrogen-bonded Turntrans-77.9-1.8175.6-64.9-177.7-4.800113.9L21 N22 T27L21-Q25 HydrophobicContact CG-CG 4.45Å; L21-Q25 WeakPolarHBondContact O-CG 3.27Å; L21-Q25 PolarHBondContact O-N 2.83Å; N22-Q25 CarbonylContact O-C 3.17Å; N22-Q25 PolarHBondContact O-N 3.16Å; Q25-T27 HydrophobicContact CB-CG2 4.22Å; Q25-T27 PolarHBondContact O-N 3.01Å
26G78.5Confident82Confident72 Ų72103.4 Ų103.474%0.74251%0.509SS*.THydrogen-bonded Turntrans63.917.7-172.900000114.4N22 K23 W24N22-G26 PolarHBondContact O-N 3.11Å; K23-G26 PolarHBondContact O-N 3.37Å; W24-G26 PolarHBondContact O-N 3.37Å
27T80.5Confident82.2Confident62 Ų62102.9 Ų102.938%0.3850%0.501SS..  trans-100.6144.8-179.659.90000111.4N22 Q25N22-T27 CarbonylContact C-O 3.58Å; N22-T27 WeakPolarHBondContact CB-O 3.37Å; N22-T27 PolarHBondContact O-N 3.08Å; N22-T27 PolarHBondContact O-OG1 3.22Å; Q25-T27 HydrophobicContact CB-CG2 4.22Å; Q25-T27 PolarHBondContact O-N 3.01Å
28H80.4Confident82.4Confident84 Ų8499.3 Ų99.339%0.38949%0.493SS..  trans-83.5145.2171.1-167.6-91.3000110.2L30 R31 A34H28-L30 WeakPolarHBondContact ND1-CB 3.5Å; H28-L30 PolarHBondContact ND1-N 3.43Å; H28-L30 PolarHBondContact O-N 3.45Å; H28-L30 VanDerWaalsContact O-N 3.15Å; H28-R31 WeakPolarHBondContact O-CA 3.48Å; H28-R31 PolarHBondContact O-N 3.36Å; H28-A34 HydrophobicContact CB-CB 4.2Å; H28-A34 WeakPolarHBondContact ND1-CB 3.46Å
29A81.4Confident83.1Confident71 Ų7196.7 Ų96.759%0.58749%0.486SS*.THydrogen-bonded Turntrans-57-33.5178.300000113
30L82.7Confident83.5Confident75 Ų7597.9 Ų97.939%0.39350%0.499SS..THydrogen-bonded Turntrans-90.63.2176.3-57.9171.1000113.9H28 E32 R33 A34 L42H28-L30 WeakPolarHBondContact ND1-CB 3.5Å; H28-L30 PolarHBondContact ND1-N 3.43Å; H28-L30 PolarHBondContact O-N 3.45Å; H28-L30 VanDerWaalsContact O-N 3.15Å; L30-E32 PolarHBondContact O-N 3.19Å; L30-R33 HydrophobicContact CB-CB 4.25Å; L30-R33 WeakPolarHBondContact O-CB 3.49Å; L30-R33 PolarHBondContact O-N 3.18Å; L30-A34 HydrophobicContact CB-CB 4.06Å; L30-L42 HydrophobicContact CD1-CD1 3.65Å
31R84Confident84.1Confident200 Ų20096.8 Ų96.876%0.75548%0.482SS*.G310 helixtrans45.5-128-179.7-58.6-178.5-178.6165.9-1.5111.9H28 R33 A34H28-R31 WeakPolarHBondContact O-CA 3.48Å; H28-R31 PolarHBondContact O-N 3.36Å; R31-R33 PolarHBondContact O-N 3.05Å; R31-R33 VanDerWaalsContact O-N 3.12Å; R31-A34 PolarHBondContact O-N 2.69Å
32E84.8Confident84.8Confident169 Ų16997.8 Ų97.879%0.7949%0.487SS*.G310 helixtrans-56-27.5-178.9-66.7167.4-164.600114L30 A34 R35L30-E32 PolarHBondContact O-N 3.19Å; E32-A34 PolarHBondContact O-N 3.38Å; E32-R35 VanDerWaalsContact O-CB 3.28Å; E32-R35 WeakPolarHBondContact O-CB 3.46Å; E32-R35 PolarHBondContact O-N 3.28Å; E32-R35 VanDerWaalsContact O-N 3.15Å
33R87.5Confident85.6Confident151 Ų15195.8 Ų95.857%0.5748%0.476SS*.G310 helixtrans-66-25.2179.2-56.8-172.7-146.1-169.75.1112.7L30 R31 L42 I43L30-R33 HydrophobicContact CB-CB 4.25Å; L30-R33 WeakPolarHBondContact O-CB 3.49Å; L30-R33 PolarHBondContact O-N 3.18Å; R31-R33 PolarHBondContact O-N 3.05Å; R31-R33 VanDerWaalsContact O-N 3.12Å; R33-L42 HydrophobicContact CB-CD1 4.45Å; R33-I43 HydrophobicContact CB-CB 4.43Å; R33-I43 WeakPolarHBondContact CB-O 3.45Å; R33-I43 PolarHBondContact O-N 3.18Å; R33-I43 VanDerWaalsContact O-N 3.14Å
34A86.6Confident86.3Confident12 Ų1290.2 Ų90.210%0.09945%0.453CS..G310 helixtrans-93.68.5178.500000113.7H28 L30 R31 E32 K36 L37H28-A34 HydrophobicContact CB-CB 4.2Å; H28-A34 WeakPolarHBondContact ND1-CB 3.46Å; L30-A34 HydrophobicContact CB-CB 4.06Å; R31-A34 PolarHBondContact O-N 2.69Å; E32-A34 PolarHBondContact O-N 3.38Å; A34-K36 PolarHBondContact O-N 2.76Å; A34-K36 VanDerWaalsContact O-N 3.1Å; A34-L37 HydrophobicContact CB-CB 4.18Å; A34-L37 HydrophobicContact CB-CD2 4.4Å; A34-L37 WeakPolarHBondContact O-CB 3.34Å; A34-L37 PolarHBondContact O-N 3.08Å
35R88.1Confident87.2Confident178 Ų17892 Ų9267%0.67246%0.46SS*.THydrogen-bonded Turntrans-53.6-34.4179-179.2177.359.7-179.2-2.1113.2E32 H38E32-R35 VanDerWaalsContact O-CB 3.28Å; E32-R35 WeakPolarHBondContact O-CB 3.46Å; E32-R35 PolarHBondContact O-N 3.28Å; E32-R35 VanDerWaalsContact O-N 3.15Å; R35-H38 PolarHBondContact O-ND1 3.5Å
36K88.3Confident87.9Confident58 Ų5887.8 Ų87.825%0.25244%0.44SS..THydrogen-bonded Turntrans-102.717.2179.5-62.3-174.5171.6-175.70113.7A34 H38 L39 I41 E70A34-K36 PolarHBondContact O-N 2.76Å; A34-K36 VanDerWaalsContact O-N 3.1Å; K36-H38 PolarHBondContact O-N 3.33Å; K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 2.86Å; K36-I41 CarbonylContact C-O 3.6Å; K36-I41 HydrophobicContact CB-CB 3.89Å; K36-I41 HydrophobicContact CB-CG2 4.2Å; K36-I41 HydrophobicContact CD-CG2 4.36Å; K36-I41 PolarHBondContact O-N 3Å; K36-I41 VanDerWaalsContact O-O 3.13Å; K36-E70 VanDerWaalsContact NZ-CD 3.34Å; K36-E70 IonicContact NZ-OE1 3.53Å; K36-E70 PolarHBondContact NZ-OE1 3.26Å; K36-E70 IonicContact NZ-OE2 3.02Å; K36-E70 PolarHBondContact NZ-OE2 3.41Å
37L88.5Confident88.7Confident82 Ų8288.9 Ų88.943%0.42943%0.426SS..G310 helixtrans-62.5-32.8-176.1-168.271.7000112.5A34 L39 G40 I41A34-L37 HydrophobicContact CB-CB 4.18Å; A34-L37 HydrophobicContact CB-CD2 4.4Å; A34-L37 WeakPolarHBondContact O-CB 3.34Å; A34-L37 PolarHBondContact O-N 3.08Å; L37-L39 PolarHBondContact O-N 3.47Å; L37-G40 WeakPolarHBondContact O-CA 3.2Å; L37-G40 PolarHBondContact O-N 3.36Å; L37-I41 PolarHBondContact N-O 2.96Å
38H88.1Confident89.4Confident156 Ų15686 Ų8672%0.72241%0.408SS*.G310 helixtrans-61.5-21.7174.869.3-83.5000113.4R35 K36R35-H38 PolarHBondContact O-ND1 3.5Å; K36-H38 PolarHBondContact O-N 3.33Å
39L90.6Very high90Very high99 Ų9983.9 Ų83.952%0.51840%0.401SS..G310 helixtrans-933.7173.9-56.1174.7000112.6K36 L37 I41K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 2.86Å; L37-L39 PolarHBondContact O-N 3.47Å; L39-I41 VanDerWaalsContact C-N 3.25Å; L39-I41 HydrophobicContact CB-CD1 4.02Å; L39-I41 HydrophobicContact CB-CG1 4.19Å; L39-I41 HydrophobicContact CD1-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.99Å
40G89.4Confident90.4Very high49 Ų4981.3 Ų81.351%0.50538%0.377SS..THydrogen-bonded Turntrans7118.5-171.900000113.9L37L37-G40 WeakPolarHBondContact O-CA 3.2Å; L37-G40 PolarHBondContact O-N 3.36Å
41I93.6Very high91Very high24 Ų2478.8 Ų78.812%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-106.9125.6-178.2-60.1169.3000109.6K36 L37 L39 E70 K71 K72K36-I41 CarbonylContact C-O 3.6Å; K36-I41 HydrophobicContact CB-CB 3.89Å; K36-I41 HydrophobicContact CB-CG2 4.2Å; K36-I41 HydrophobicContact CD-CG2 4.36Å; K36-I41 PolarHBondContact O-N 3Å; K36-I41 VanDerWaalsContact O-O 3.13Å; L37-I41 PolarHBondContact N-O 2.96Å; L39-I41 VanDerWaalsContact C-N 3.25Å; L39-I41 HydrophobicContact CB-CD1 4.02Å; L39-I41 HydrophobicContact CB-CG1 4.19Å; L39-I41 HydrophobicContact CD1-CD1 4.42Å; L39-I41 PolarHBondContact O-N 2.99Å; I41-E70 HydrophobicContact CG2-CB 3.57Å; I41-E70 HydrophobicContact CG2-CG 3.89Å; I41-K71 WeakPolarHBondContact CA-O 3.4Å; I41-K72 HydrophobicContact CG1-CB 4.43Å
42L93.6Very high91.5Very high49 Ų4969.2 Ų69.226%0.25733%0.328SS..EExtended strand (participates in β ladder)trans-110.4128.7172.5-176.968.3000110.2L30 R33 I44 K71L30-L42 HydrophobicContact CD1-CD1 3.65Å; R33-L42 HydrophobicContact CB-CD1 4.45Å; L42-I44 HydrophobicContact CD2-CG2 3.88Å; L42-I44 HydrophobicContact CG-CG2 3.97Å; L42-I44 PolarHBondContact O-N 2.94Å; L42-K71 PolarHBondContact N-O 3.33Å; L42-K71 WeakPolarHBondContact O-CB 3.29Å; L42-K71 PolarHBondContact O-N 2.88Å
43I94.8Very high92Very high29 Ų2965.1 Ų65.115%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-81.3117.5175.5-55.6172.2000108.6R33 N68 A69R33-I43 HydrophobicContact CB-CB 4.43Å; R33-I43 WeakPolarHBondContact CB-O 3.45Å; R33-I43 PolarHBondContact O-N 3.18Å; R33-I43 VanDerWaalsContact O-N 3.14Å; I43-N68 HydrophobicContact CG2-CB 4.41Å; I43-A69 WeakPolarHBondContact CA-O 3.4Å
44I94.8Very high92.3Very high38 Ų3858 Ų5820%0.19528%0.278CS..EExtended strand (participates in β ladder)trans-122.3159.7179.465159.4000110.9L42 F46 N68 A69 K71 F85L42-I44 HydrophobicContact CD2-CG2 3.88Å; L42-I44 HydrophobicContact CG-CG2 3.97Å; L42-I44 PolarHBondContact O-N 2.94Å; I44-F46 HydrophobicContact CD1-CB 4.41Å; I44-F46 HydrophobicContact CD1-CD2 4.27Å; I44-N68 CarbonylContact O-C 3.35Å; I44-N68 WeakPolarHBondContact O-CA 3.42Å; I44-A69 HydrophobicContact CG1-CB 4.35Å; I44-A69 PolarHBondContact N-O 2.87Å; I44-A69 PolarHBondContact O-N 3.44Å; I44-K71 HydrophobicContact CD1-CB 4.14Å; I44-K71 HydrophobicContact CD1-CD 4.18Å; I44-K71 HydrophobicContact CG1-CB 4.08Å; I44-K71 HydrophobicContact CG2-CB 4.38Å; I44-K71 HydrophobicContact CG2-CD 4.42Å; I44-F85 HydrophobicContact CD1-CD1 3.91Å; I44-F85 HydrophobicContact CD1-CE1 3.55Å
45R94.7Very high92.7Very high168 Ų16862.8 Ų62.863%0.63430%0.299SS*.EExtended strand (participates in β ladder)trans-87.6117.1167.2-164.6169.9-168.31602.5108Y67R45-Y67 CarbonylContact C-O 3.5Å; R45-Y67 WeakPolarHBondContact CA-O 3.47Å
46F95.3Very high92.9Very high17 Ų1756.6 Ų56.68%0.07529%0.29CS..EExtended strand (participates in β ladder)trans-116.2138.7-176.8-172.2-96.9000109.7I44 R66 Y67 A69 F85 M87 I98 Y107I44-F46 HydrophobicContact CD1-CB 4.41Å; I44-F46 HydrophobicContact CD1-CD2 4.27Å; F46-R66 CarbonylContact O-C 3.57Å; F46-R66 WeakPolarHBondContact O-CA 3.46Å; F46-Y67 PolarHBondContact N-O 3.23Å; F46-Y67 PolarHBondContact O-N 3.22Å; F46-A69 HydrophobicContact CB-CB 3.64Å; F46-A69 HydrophobicContact CG-CB 4.36Å; F46-F85 HydrophobicContact CD2-CD1 4.02Å; F46-F85 HydrophobicContact CD2-CD2 4.36Å; F46-F85 HydrophobicContact CD2-CE1 4.07Å; F46-F85 HydrophobicContact CD2-CE2 4.39Å; F46-F85 HydrophobicContact CD2-CG 4.16Å; F46-F85 HydrophobicContact CD2-CZ 4.26Å; F46-F85 HydrophobicContact CE2-CD1 4.26Å; F46-F85 AromaticContact CE2-CD2 3.81Å; F46-F85 HydrophobicContact CE2-CD2 3.81Å; F46-F85 HydrophobicContact CE2-CE1 4.2Å; F46-F85 AromaticContact CE2-CE2 3.72Å; F46-F85 HydrophobicContact CE2-CE2 3.72Å; F46-F85 HydrophobicContact CE2-CG 4.07Å; F46-F85 AromaticContact CE2-CZ 3.92Å; F46-F85 HydrophobicContact CE2-CZ 3.92Å; F46-F85 HydrophobicContact CZ-CD2 4.07Å; F46-F85 HydrophobicContact CZ-CE2 4.28Å; F46-F85 HydrophobicContact CZ-CG 4.47Å; F46-M87 HydrophobicContact CD1-CE 3.69Å; F46-M87 HydrophobicContact CD1-SD 4.17Å; F46-M87 HydrophobicContact CE1-CE 4.03Å; F46-M87 HydrophobicContact CG-CE 4.44Å; F46-I98 HydrophobicContact CE1-CD1 4.43Å; F46-Y107 HydrophobicContact CE2-CE1 4.12Å; F46-Y107 HydrophobicContact CZ-CD1 4.37Å; F46-Y107 AromaticContact CZ-CE1 3.88Å; F46-Y107 HydrophobicContact CZ-CE1 3.88Å
47E95.9Very high93.1Very high95 Ų9555.5 Ų55.544%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-106135.4176.3-73.9-179.3176.600109.2P49 V65 R66E47-P49 WeakPolarHBondContact O-CD 3.4Å; E47-V65 WeakPolarHBondContact CA-O 3.09Å; E47-R66 HydrophobicContact CG-CG 3.61Å; E47-R66 IonicContact OE1-CZ 2.71Å; E47-R66 VanDerWaalsContact OE1-CZ 3.31Å; E47-R66 IonicContact OE1-NE 3.96Å; E47-R66 PolarHBondContact OE1-NE 3.33Å; E47-R66 IonicContact OE1-NH2 2.64Å; E47-R66 PolarHBondContact OE1-NH2 3.15Å
48M94.2Very high93.4Very high3 Ų357 Ų572%0.01530%0.298CS..  trans-65.1122.8-179-70.9-61-62.600111.3V52 I61 G64 V65 Y67 M87 F96 I98 L113M48-V52 HydrophobicContact CE-CB 4.49Å; M48-V52 HydrophobicContact CE-CG1 4.1Å; M48-V52 HydrophobicContact CE-CG2 3.52Å; M48-I61 HydrophobicContact CG-CG2 3.83Å; M48-G64 PolarHBondContact O-N 3.44Å; M48-V65 HydrophobicContact CG-CB 4.39Å; M48-V65 PolarHBondContact N-O 2.81Å; M48-Y67 HydrophobicContact CG-CD2 3.85Å; M48-Y67 HydrophobicContact CG-CE2 3.63Å; M48-Y67 HydrophobicContact SD-CD2 4.08Å; M48-Y67 HydrophobicContact SD-CE2 4.07Å; M48-M87 HydrophobicContact SD-SD 3.96Å; M48-F96 HydrophobicContact CE-CE2 4.23Å; M48-F96 HydrophobicContact SD-CE2 3.9Å; M48-F96 HydrophobicContact SD-CZ 4.36Å; M48-I98 HydrophobicContact CE-CD1 3.66Å; M48-I98 HydrophobicContact SD-CD1 3.92Å; M48-L113 HydrophobicContact CE-CD1 3.91Å
49P92.6Very high93.6Very high38 Ų3853.1 Ų53.125%0.24728%0.282CS..SBendtrans-74.7-26.4-174.127.8-34.7000113.5E47 Y107E47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-Y107 HydrophobicContact CB-CD2 3.73Å; P49-Y107 HydrophobicContact CB-CE2 3.82Å; P49-Y107 HydrophobicContact CG-CD2 3.61Å; P49-Y107 HydrophobicContact CG-CE2 4.04Å; P49-Y107 HydrophobicContact CG-CG 4.02Å
50F91.3Very high93.8Very high17 Ų1752 Ų528%0.07528%0.275CS..SBendtrans-145.3164.9179.944.5-104.3000110.9V52 L109 R115F50-V52 HydrophobicContact CD2-CG1 3.29Å; F50-V52 HydrophobicContact CE2-CG1 3.28Å; F50-L109 HydrophobicContact CE2-CD1 3.84Å; F50-L109 HydrophobicContact CE2-CD2 3.58Å; F50-L109 HydrophobicContact CE2-CG 3.78Å; F50-L109 HydrophobicContact CZ-CD1 4.31Å; F50-L109 HydrophobicContact CZ-CD2 3.6Å; F50-L109 HydrophobicContact CZ-CG 3.77Å; F50-R115 HydrophobicContact CD2-CG 3.91Å; F50-R115 HydrophobicContact CE2-CG 4.16Å
51N94Very high94Very high22 Ų2249.8 Ų49.812%0.11825%0.251CS..  trans-69.8130.7175.6-61.8-60.3000110.1H60 I61 G62 M63 Q116 R118N51-H60 WeakPolarHBondContact CB-NE2 3.2Å; N51-H60 PolarHBondContact OD1-NE2 3.37Å; N51-I61 WeakPolarHBondContact CA-O 3.39Å; N51-G62 WeakPolarHBondContact OD1-CA 3.43Å; N51-M63 PolarHBondContact OD1-N 3.48Å; N51-Q116 HydrophobicContact CB-CB 3.88Å; N51-Q116 WeakPolarHBondContact O-CB 3.48Å; N51-Q116 PolarHBondContact O-N 3.32Å; N51-R118 PolarHBondContact ND2-NE 3.09Å; N51-R118 PolarHBondContact ND2-NH2 3.4Å
52V94.4Very high94Very high0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-136158.1-178-61.30000111.2M48 F50 I61 L109 L113 R114M48-V52 HydrophobicContact CE-CB 4.49Å; M48-V52 HydrophobicContact CE-CG1 4.1Å; M48-V52 HydrophobicContact CE-CG2 3.52Å; F50-V52 HydrophobicContact CD2-CG1 3.29Å; F50-V52 HydrophobicContact CE2-CG1 3.28Å; V52-I61 HydrophobicContact CG2-CB 3.72Å; V52-I61 HydrophobicContact CG2-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CG1 4.39Å; V52-I61 HydrophobicContact CG2-CG2 4.32Å; V52-I61 PolarHBondContact N-O 2.99Å; V52-I61 PolarHBondContact O-N 3.05Å; V52-L109 HydrophobicContact CG1-CD1 4.26Å; V52-L109 HydrophobicContact CG1-CD2 4.43Å; V52-L113 HydrophobicContact CB-CB 4.47Å; V52-L113 HydrophobicContact CB-CD1 4.43Å; V52-L113 HydrophobicContact CB-CD2 4Å; V52-L113 HydrophobicContact CG1-CD1 4.36Å; V52-L113 HydrophobicContact CG2-CD1 4.07Å; V52-L113 HydrophobicContact CG2-CD2 3.51Å; V52-L113 HydrophobicContact CG2-CG 4.29Å; V52-R114 CarbonylContact C-O 3.54Å; V52-R114 VanDerWaalsContact CA-O 3.3Å; V52-R114 WeakPolarHBondContact CA-O 3.29Å
53W94.9Very high94Very high83 Ų8353.5 Ų53.531%0.31427%0.273SS..EExtended strand (participates in β ladder)trans-104.4131.7168.2-61.697000108.5N58 H60 L113 R114W53-N58 VanDerWaalsContact CE3-O 3.3Å; W53-H60 HydrophobicContact CE3-CB 3.94Å; W53-H60 HydrophobicContact CH2-CB 3.91Å; W53-H60 HydrophobicContact CZ2-CB 4.46Å; W53-H60 HydrophobicContact CZ3-CB 3.63Å; W53-L113 WeakPolarHBondContact O-CA 3.38Å; W53-R114 HydrophobicContact CB-CB 4.42Å; W53-R114 PolarHBondContact N-O 2.85Å; W53-R114 PolarHBondContact O-N 3.45Å
54C95.3Very high94Very high0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-78.2127.3172.8-178.70000110.2G56 N58 N59 I61 L113C54-G56 PolarHBondContact O-N 3.23Å; C54-N58 WeakPolarHBondContact O-CA 3.12Å; C54-N58 PolarHBondContact O-N 3.2Å; C54-N59 PolarHBondContact N-O 2.99Å; C54-I61 HydrophobicContact CB-CD1 4.24Å; C54-L113 HydrophobicContact CB-CD2 4.49Å
55E94Very high93.9Very high114 Ų11454.4 Ų54.453%0.53329%0.288SS..THydrogen-bonded Turntrans-69.4-16.7-179.9-66.6178.8152.800113.4G112E55-G112 PolarHBondContact N-O 3.17Å; E55-G112 VanDerWaalsContact N-O 3.08Å; E55-G112 WeakPolarHBondContact OE2-CA 3.33Å; E55-G112 PolarHBondContact OE2-N 3.11Å; E55-G112 VanDerWaalsContact OE2-N 3.11Å
56G92.2Very high94Very high47 Ų4753.3 Ų53.349%0.48528%0.284SS..THydrogen-bonded Turntrans-81.1-48.1-179.500000113.5C54 N94C54-G56 PolarHBondContact O-N 3.23Å; G56-N94 PolarHBondContact N-ND2 2.68Å
57C93.9Very high94Very high36 Ų3653.2 Ų53.224%0.24328%0.284CS..THydrogen-bonded Turntrans-114.1-1.1-176.658.70000114.1N59 C92C57-N59 PolarHBondContact O-N 3.39Å; C57-C92 HydrophobicContact CB-CB 3.98Å; C57-C92 VanDerWaalsContact SG-SG 3.65Å
58N93.1Very high93.9Very high114 Ų11454.7 Ų54.761%0.6129%0.294SS*.  trans54.119.6-175.5-64.6-41.4000115.2W53 C54W53-N58 VanDerWaalsContact CE3-O 3.3Å; C54-N58 WeakPolarHBondContact O-CA 3.12Å; C54-N58 PolarHBondContact O-N 3.2Å
59N93.3Very high94Very high73 Ų7354.5 Ų54.539%0.3929%0.294SS..  trans-85.7148.2175-70-45.5000111.6C54 C57 L91C54-N59 PolarHBondContact N-O 2.99Å; C57-N59 PolarHBondContact O-N 3.39Å; N59-L91 HydrophobicContact CB-CD1 3.39Å; N59-L91 VanDerWaalsContact ND2-CD1 3.34Å; N59-L91 WeakPolarHBondContact ND2-CD1 3.3Å
60H94.1Very high94.1Very high77 Ų7754.8 Ų54.836%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-77.5132.1177.9174.4-104.7000111.2N51 W53N51-H60 WeakPolarHBondContact CB-NE2 3.2Å; N51-H60 PolarHBondContact OD1-NE2 3.37Å; W53-H60 HydrophobicContact CE3-CB 3.94Å; W53-H60 HydrophobicContact CH2-CB 3.91Å; W53-H60 HydrophobicContact CZ2-CB 4.46Å; W53-H60 HydrophobicContact CZ3-CB 3.63Å
61I93.9Very high94.4Very high1 Ų156.7 Ų56.71%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-109.9115169.2-57.9166.1000107M48 N51 V52 C54 V65 Y67 F96 L113M48-I61 HydrophobicContact CG-CG2 3.83Å; N51-I61 WeakPolarHBondContact CA-O 3.39Å; V52-I61 HydrophobicContact CG2-CB 3.72Å; V52-I61 HydrophobicContact CG2-CD1 4.12Å; V52-I61 HydrophobicContact CG2-CG1 4.39Å; V52-I61 HydrophobicContact CG2-CG2 4.32Å; V52-I61 PolarHBondContact N-O 2.99Å; V52-I61 PolarHBondContact O-N 3.05Å; C54-I61 HydrophobicContact CB-CD1 4.24Å; I61-V65 HydrophobicContact CG2-CB 3.9Å; I61-V65 HydrophobicContact CG2-CG1 4.19Å; I61-V65 HydrophobicContact CG2-CG2 4.09Å; I61-Y67 WeakPolarHBondContact CD1-OH 3.41Å; I61-Y67 HydrophobicContact CG2-CE2 3.92Å; I61-Y67 WeakPolarHBondContact CG2-OH 3.44Å; I61-F96 HydrophobicContact CD1-CE1 3.96Å; I61-F96 HydrophobicContact CD1-CZ 4.01Å; I61-L113 HydrophobicContact CD1-CD2 4.09Å
62G93.4Very high94.5Very high18 Ų1860.8 Ų60.819%0.18632%0.317CS..  trans-68.2154.2178.400000113.1N51 V65N51-G62 WeakPolarHBondContact OD1-CA 3.43Å; G62-V65 WeakPolarHBondContact O-CG2 3.47Å; G62-V65 PolarHBondContact O-N 2.9Å
63M94Very high94.5Very high133 Ų13366.2 Ų66.266%0.65534%0.34SS*.THydrogen-bonded Turntrans-55.2137.5165.2179.9-178.2164.300110.2N51N51-M63 PolarHBondContact OD1-N 3.48Å
64G94.1Very high94.5Very high36 Ų3665.7 Ų65.737%0.37135%0.346SS..THydrogen-bonded Turntrans85.6-2.8-18000000115.5M48 R66M48-G64 PolarHBondContact O-N 3.44Å; G64-R66 PolarHBondContact O-N 3.46Å
65V94.6Very high94.4Very high50 Ų5067 Ų6730%0.30336%0.36SS..  trans-63.8131.1173.1177.20000109.8E47 M48 I61 G62 Y67E47-V65 WeakPolarHBondContact CA-O 3.09Å; M48-V65 HydrophobicContact CG-CB 4.39Å; M48-V65 PolarHBondContact N-O 2.81Å; I61-V65 HydrophobicContact CG2-CB 3.9Å; I61-V65 HydrophobicContact CG2-CG1 4.19Å; I61-V65 HydrophobicContact CG2-CG2 4.09Å; G62-V65 WeakPolarHBondContact O-CG2 3.47Å; G62-V65 PolarHBondContact O-N 2.9Å; V65-Y67 HydrophobicContact CB-CE2 4.14Å; V65-Y67 HydrophobicContact CG1-CD2 4.25Å; V65-Y67 HydrophobicContact CG1-CE2 3.54Å
66R95.5Very high94.5Very high145 Ų14565.9 Ų65.955%0.54736%0.358SS..EExtended strand (participates in β ladder)trans-93.7126.1-173.1-73167.8170.1172.52.9111.7F46 E47 G64F46-R66 CarbonylContact O-C 3.57Å; F46-R66 WeakPolarHBondContact O-CA 3.46Å; E47-R66 HydrophobicContact CG-CG 3.61Å; E47-R66 IonicContact OE1-CZ 2.71Å; E47-R66 VanDerWaalsContact OE1-CZ 3.31Å; E47-R66 IonicContact OE1-NE 3.96Å; E47-R66 PolarHBondContact OE1-NE 3.33Å; E47-R66 IonicContact OE1-NH2 2.64Å; E47-R66 PolarHBondContact OE1-NH2 3.15Å; G64-R66 PolarHBondContact O-N 3.46Å
67Y95.4Very high94.6Very high16 Ų1667.4 Ų67.46%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-120.6151.4174.9-70.2-82.2000112.1R45 F46 M48 I61 V65 A69 M87 K88 H90 F96R45-Y67 CarbonylContact C-O 3.5Å; R45-Y67 WeakPolarHBondContact CA-O 3.47Å; F46-Y67 PolarHBondContact N-O 3.23Å; F46-Y67 PolarHBondContact O-N 3.22Å; M48-Y67 HydrophobicContact CG-CD2 3.85Å; M48-Y67 HydrophobicContact CG-CE2 3.63Å; M48-Y67 HydrophobicContact SD-CD2 4.08Å; M48-Y67 HydrophobicContact SD-CE2 4.07Å; I61-Y67 WeakPolarHBondContact CD1-OH 3.41Å; I61-Y67 HydrophobicContact CG2-CE2 3.92Å; I61-Y67 WeakPolarHBondContact CG2-OH 3.44Å; V65-Y67 HydrophobicContact CB-CE2 4.14Å; V65-Y67 HydrophobicContact CG1-CD2 4.25Å; V65-Y67 HydrophobicContact CG1-CE2 3.54Å; Y67-A69 PolarHBondContact O-N 3.23Å; Y67-M87 HydrophobicContact CD1-CG 4.49Å; Y67-M87 HydrophobicContact CD2-SD 3.77Å; Y67-M87 HydrophobicContact CG-CB 4.39Å; Y67-M87 HydrophobicContact CG-CG 4.18Å; Y67-M87 HydrophobicContact CG-SD 3.75Å; Y67-K88 VanDerWaalsContact CD1-O 3.25Å; Y67-K88 WeakPolarHBondContact CD1-O 3.39Å; Y67-K88 WeakPolarHBondContact CE1-O 3.2Å; Y67-H90 HydrophobicContact CE1-CB 4.35Å; Y67-H90 AromaticContact CZ-ND1 3.95Å; Y67-H90 PolarHBondContact OH-ND1 2.88Å; Y67-F96 HydrophobicContact CD2-CZ 4.38Å; Y67-F96 HydrophobicContact CE1-CZ 4.23Å; Y67-F96 HydrophobicContact CE2-CZ 4.01Å; Y67-F96 AromaticContact CZ-CZ 3.93Å
68N94.6Very high94.6Very high125 Ų12575.1 Ų75.167%0.66837%0.374SS*.EExtended strand (participates in β ladder)trans-83.699.7161.9-67.9-35000107.3I43 I44I43-N68 HydrophobicContact CG2-CB 4.41Å; I44-N68 CarbonylContact O-C 3.35Å; I44-N68 WeakPolarHBondContact O-CA 3.42Å
69A95.5Very high94.7Very high0 Ų075 Ų750%038%0.382CS..EExtended strand (participates in β ladder)trans-99.8142-175.800000111.5I43 I44 F46 Y67 K71 F85 R86 M87I43-A69 WeakPolarHBondContact CA-O 3.4Å; I44-A69 HydrophobicContact CG1-CB 4.35Å; I44-A69 PolarHBondContact N-O 2.87Å; I44-A69 PolarHBondContact O-N 3.44Å; F46-A69 HydrophobicContact CB-CB 3.64Å; F46-A69 HydrophobicContact CG-CB 4.36Å; Y67-A69 PolarHBondContact O-N 3.23Å; A69-K71 PolarHBondContact O-N 2.98Å; A69-F85 HydrophobicContact CB-CB 4.27Å; A69-R86 WeakPolarHBondContact CA-O 3.44Å; A69-M87 HydrophobicContact CB-CB 4.17Å; A69-M87 HydrophobicContact CB-CE 4.11Å; A69-M87 HydrophobicContact CB-SD 4.48Å
70E95.6Very high94.7Very high44 Ų4474.7 Ų74.721%0.20638%0.383CS..EExtended strand (participates in β ladder)trans-84.6103.7169.9-70.1-174.7-171.400108.8K36 I41 F85 R86K36-E70 VanDerWaalsContact NZ-CD 3.34Å; K36-E70 IonicContact NZ-OE1 3.53Å; K36-E70 PolarHBondContact NZ-OE1 3.26Å; K36-E70 IonicContact NZ-OE2 3.02Å; K36-E70 PolarHBondContact NZ-OE2 3.41Å; I41-E70 HydrophobicContact CG2-CB 3.57Å; I41-E70 HydrophobicContact CG2-CG 3.89Å; E70-F85 WeakPolarHBondContact O-CA 3.45Å; E70-R86 HydrophobicContact CB-CB 4.3Å; E70-R86 PolarHBondContact N-O 3.27Å; E70-R86 PolarHBondContact O-N 3.48Å
71K96.3Very high94.8Very high57 Ų5772.6 Ų72.625%0.24838%0.377CS..EExtended strand (participates in β ladder)trans-84.2118176.5178.9-179.5-178.2175.40109.6I41 L42 I44 A69 Y83 F85I41-K71 WeakPolarHBondContact CA-O 3.4Å; L42-K71 PolarHBondContact N-O 3.33Å; L42-K71 WeakPolarHBondContact O-CB 3.29Å; L42-K71 PolarHBondContact O-N 2.88Å; I44-K71 HydrophobicContact CD1-CB 4.14Å; I44-K71 HydrophobicContact CD1-CD 4.18Å; I44-K71 HydrophobicContact CG1-CB 4.08Å; I44-K71 HydrophobicContact CG2-CB 4.38Å; I44-K71 HydrophobicContact CG2-CD 4.42Å; A69-K71 PolarHBondContact O-N 2.98Å; K71-Y83 HydrophobicContact CD-CD1 4.21Å; K71-Y83 HydrophobicContact CD-CE1 4.48Å; K71-Y83 HydrophobicContact CD-CG 4.49Å; K71-Y83 HydrophobicContact CG-CD1 3.97Å; K71-Y83 HydrophobicContact CG-CG 4.35Å; K71-F85 HydrophobicContact CB-CD1 4.01Å; K71-F85 HydrophobicContact CB-CE1 3.95Å; K71-F85 HydrophobicContact CD-CE1 4Å; K71-F85 HydrophobicContact CG-CD1 4.21Å; K71-F85 HydrophobicContact CG-CE1 3.7Å
72K95.6Very high94.9Very high108 Ų10874.5 Ų74.547%0.4739%0.387SS..EExtended strand (participates in β ladder)trans-120.5142.2173.1-174.2178.2177.7-177.20109.9I41 Y83 Q84I41-K72 HydrophobicContact CG1-CB 4.43Å; K72-Y83 CarbonylContact O-C 3.48Å; K72-Y83 WeakPolarHBondContact O-CA 3.32Å; K72-Q84 PolarHBondContact N-O 3.43Å; K72-Q84 PolarHBondContact O-N 3.08Å
73K95.5Very high95.1Very high113 Ų11377.1 Ų77.149%0.49139%0.391SS..EExtended strand (participates in β ladder)trans-84125.7168.4-177.2178.3175.2173.50108.8N76 P81 Y83K73-N76 WeakPolarHBondContact CE-OD1 3.13Å; K73-N76 PolarHBondContact NZ-OD1 3.27Å; K73-P81 HydrophobicContact CD-CB 4.08Å; K73-P81 HydrophobicContact CG-CB 4.28Å; K73-Y83 HydrophobicContact CB-CD1 4.27Å; K73-Y83 HydrophobicContact CB-CE1 4.19Å
74V94.1Very high95.2Very high72 Ų7272.1 Ų72.144%0.43637%0.366SS..EExtended strand (participates in β ladder)trans-109.3-34.2-176.2177.40000112.5I82 Q84V74-I82 PolarHBondContact N-O 3.32Å; V74-Q84 HydrophobicContact CG2-CB 3.4Å; V74-Q84 VanDerWaalsContact CG2-CB 3.4Å; V74-Q84 HydrophobicContact CG2-CG 4.37Å
75G94Very high95.4Very high28 Ų2870.9 Ų70.929%0.28935%0.351SS..EExtended strand (participates in β ladder)trans-164.7-166.6-179.900000111.8I82G75-I82 PolarHBondContact O-N 3.5Å
76N95Very high95.4Very high91 Ų9173.8 Ų73.849%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-130.5141.6171.2-59-39000109.4K73 Y78 T80K73-N76 WeakPolarHBondContact CE-OD1 3.13Å; K73-N76 PolarHBondContact NZ-OD1 3.27Å; N76-Y78 WeakPolarHBondContact CB-O 3.28Å; N76-T80 CarbonylContact C-O 3.56Å; N76-T80 VanDerWaalsContact CA-O 3.27Å; N76-T80 WeakPolarHBondContact CA-O 3.2Å
77Y94.6Very high95.4Very high79 Ų7967 Ų6731%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-99.2102.4161.6-177.4-108.8000107.8S79 T80 P102 K103Y77-S79 PolarHBondContact O-N 2.58Å; Y77-T80 PolarHBondContact N-O 3.46Å; Y77-T80 PolarHBondContact O-N 3.1Å; Y77-P102 HydrophobicContact CD1-CB 3.91Å; Y77-P102 HydrophobicContact CD1-CG 3.53Å; Y77-P102 HydrophobicContact CD2-CG 4.43Å; Y77-P102 HydrophobicContact CE1-CG 4.44Å; Y77-P102 HydrophobicContact CG-CB 4.4Å; Y77-P102 HydrophobicContact CG-CG 3.51Å; Y77-K103 HydrophobicContact CE1-CB 4.42Å; Y77-K103 HydrophobicContact CE2-CB 4.16Å
78Y94.6Very high95.3Very high197 Ų19770.8 Ų70.877%0.77335%0.348SS*.THydrogen-bonded Turntrans51.5-110.5-165-55.4-74.6000111.2N76N76-Y78 WeakPolarHBondContact CB-O 3.28Å
79S94.6Very high95.3Very high111 Ų11165.1 Ų65.178%0.77632%0.318SS*.THydrogen-bonded Turntrans-90.6-12.9176.855.40000114.1Y77Y77-S79 PolarHBondContact O-N 2.58Å
80T94.6Very high95.1Very high67 Ų6770.4 Ų70.441%0.41134%0.342SS..EExtended strand (participates in β ladder)trans-90.9125.7-173-58.10000111.1N76 Y77 P102N76-T80 CarbonylContact C-O 3.56Å; N76-T80 VanDerWaalsContact CA-O 3.27Å; N76-T80 WeakPolarHBondContact CA-O 3.2Å; Y77-T80 PolarHBondContact N-O 3.46Å; Y77-T80 PolarHBondContact O-N 3.1Å; T80-P102 HydrophobicContact CG2-CB 4.3Å
81P95.5Very high95Very high34 Ų3472.8 Ų72.822%0.22136%0.356CS..EExtended strand (participates in β ladder)trans-71.2134.1179.429-34.6000112.1K73 Y83K73-P81 HydrophobicContact CD-CB 4.08Å; K73-P81 HydrophobicContact CG-CB 4.28Å; P81-Y83 HydrophobicContact CB-CE1 4.36Å; P81-Y83 HydrophobicContact CB-CE2 4.19Å; P81-Y83 HydrophobicContact CG-CE2 3.73Å; P81-Y83 WeakPolarHBondContact CG-OH 3.14Å
82I96.9Very high94.8Very high41 Ų4171.5 Ų71.521%0.2135%0.353CS..EExtended strand (participates in β ladder)trans-86.7121169.8-63.3170.2000108.2V74 G75 T100 P102V74-I82 PolarHBondContact N-O 3.32Å; G75-I82 PolarHBondContact O-N 3.5Å; I82-T100 WeakPolarHBondContact CA-OG1 3.45Å; I82-T100 WeakPolarHBondContact CG2-O 3.4Å; I82-P102 HydrophobicContact CG1-CG 4.45Å
83Y96.6Very high94.8Very high72 Ų7272.3 Ų72.328%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-100.8140.2176.1-64-67.3000110.8K71 K72 K73 P81 K99 T100K71-Y83 HydrophobicContact CD-CD1 4.21Å; K71-Y83 HydrophobicContact CD-CE1 4.48Å; K71-Y83 HydrophobicContact CD-CG 4.49Å; K71-Y83 HydrophobicContact CG-CD1 3.97Å; K71-Y83 HydrophobicContact CG-CG 4.35Å; K72-Y83 CarbonylContact O-C 3.48Å; K72-Y83 WeakPolarHBondContact O-CA 3.32Å; K73-Y83 HydrophobicContact CB-CD1 4.27Å; K73-Y83 HydrophobicContact CB-CE1 4.19Å; P81-Y83 HydrophobicContact CB-CE1 4.36Å; P81-Y83 HydrophobicContact CB-CE2 4.19Å; P81-Y83 HydrophobicContact CG-CE2 3.73Å; P81-Y83 WeakPolarHBondContact CG-OH 3.14Å; Y83-K99 WeakPolarHBondContact O-CA 3.46Å; Y83-T100 PolarHBondContact N-OG1 3.38Å; Y83-T100 PolarHBondContact O-N 3.13Å; Y83-T100 PolarHBondContact O-OG1 2.92Å
84Q96.7Very high94.7Very high28 Ų2869.5 Ų69.513%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-110.7133.5168.7-177.6171.4-44.500108.9K72 V74 E97 I98 K99K72-Q84 PolarHBondContact N-O 3.43Å; K72-Q84 PolarHBondContact O-N 3.08Å; V74-Q84 HydrophobicContact CG2-CB 3.4Å; V74-Q84 VanDerWaalsContact CG2-CB 3.4Å; V74-Q84 HydrophobicContact CG2-CG 4.37Å; Q84-E97 HydrophobicContact CG-CB 4.43Å; Q84-E97 PolarHBondContact NE2-OE1 3.46Å; Q84-E97 VanDerWaalsContact NE2-OE1 3.15Å; Q84-E97 PolarHBondContact NE2-OE2 3.27Å; Q84-I98 CarbonylContact C-O 3.52Å; Q84-I98 WeakPolarHBondContact CA-O 3.44Å; Q84-K99 HydrophobicContact CB-CG 4.01Å; Q84-K99 HydrophobicContact CG-CG 4.09Å
85F96.9Very high94.7Very high11 Ų1169.7 Ų69.75%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-113.6114.4179.1-55.5-76.6000108.5I44 F46 A69 E70 K71 M87 E97 I98 T100 Y107I44-F85 HydrophobicContact CD1-CD1 3.91Å; I44-F85 HydrophobicContact CD1-CE1 3.55Å; F46-F85 HydrophobicContact CD2-CD1 4.02Å; F46-F85 HydrophobicContact CD2-CD2 4.36Å; F46-F85 HydrophobicContact CD2-CE1 4.07Å; F46-F85 HydrophobicContact CD2-CE2 4.39Å; F46-F85 HydrophobicContact CD2-CG 4.16Å; F46-F85 HydrophobicContact CD2-CZ 4.26Å; F46-F85 HydrophobicContact CE2-CD1 4.26Å; F46-F85 AromaticContact CE2-CD2 3.81Å; F46-F85 HydrophobicContact CE2-CD2 3.81Å; F46-F85 HydrophobicContact CE2-CE1 4.2Å; F46-F85 AromaticContact CE2-CE2 3.72Å; F46-F85 HydrophobicContact CE2-CE2 3.72Å; F46-F85 HydrophobicContact CE2-CG 4.07Å; F46-F85 AromaticContact CE2-CZ 3.92Å; F46-F85 HydrophobicContact CE2-CZ 3.92Å; F46-F85 HydrophobicContact CZ-CD2 4.07Å; F46-F85 HydrophobicContact CZ-CE2 4.28Å; F46-F85 HydrophobicContact CZ-CG 4.47Å; A69-F85 HydrophobicContact CB-CB 4.27Å; E70-F85 WeakPolarHBondContact O-CA 3.45Å; K71-F85 HydrophobicContact CB-CD1 4.01Å; K71-F85 HydrophobicContact CB-CE1 3.95Å; K71-F85 HydrophobicContact CD-CE1 4Å; K71-F85 HydrophobicContact CG-CD1 4.21Å; K71-F85 HydrophobicContact CG-CE1 3.7Å; F85-M87 HydrophobicContact CB-CE 3.72Å; F85-E97 VanDerWaalsContact O-CA 3.31Å; F85-E97 WeakPolarHBondContact O-CA 3.39Å; F85-I98 PolarHBondContact N-O 3.14Å; F85-I98 PolarHBondContact O-N 3.44Å; F85-T100 HydrophobicContact CE2-CG2 3.72Å; F85-T100 HydrophobicContact CZ-CG2 4.33Å; F85-Y107 HydrophobicContact CE2-CE1 4.07Å
86R96.1Very high94.8Very high110 Ų11068.3 Ų68.342%0.41534%0.336SS..EExtended strand (participates in β ladder)trans-100.3129171.7-178.7178.7174.8-166.50109.3A69 E70 F96 E97A69-R86 WeakPolarHBondContact CA-O 3.44Å; E70-R86 HydrophobicContact CB-CB 4.3Å; E70-R86 PolarHBondContact N-O 3.27Å; E70-R86 PolarHBondContact O-N 3.48Å; R86-F96 WeakPolarHBondContact CA-O 3.12Å; R86-E97 HydrophobicContact CB-CG 4.16Å; R86-E97 HydrophobicContact CG-CG 4.11Å
87M94.1Very high94.8Very high3 Ų366.1 Ų66.12%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-145.7156.5178.865.5-160.891.100111.7F46 M48 Y67 A69 F85 H95 F96 I98F46-M87 HydrophobicContact CD1-CE 3.69Å; F46-M87 HydrophobicContact CD1-SD 4.17Å; F46-M87 HydrophobicContact CE1-CE 4.03Å; F46-M87 HydrophobicContact CG-CE 4.44Å; M48-M87 HydrophobicContact SD-SD 3.96Å; Y67-M87 HydrophobicContact CD1-CG 4.49Å; Y67-M87 HydrophobicContact CD2-SD 3.77Å; Y67-M87 HydrophobicContact CG-CB 4.39Å; Y67-M87 HydrophobicContact CG-CG 4.18Å; Y67-M87 HydrophobicContact CG-SD 3.75Å; A69-M87 HydrophobicContact CB-CB 4.17Å; A69-M87 HydrophobicContact CB-CE 4.11Å; A69-M87 HydrophobicContact CB-SD 4.48Å; F85-M87 HydrophobicContact CB-CE 3.72Å; M87-H95 CarbonylContact O-C 3.58Å; M87-H95 VanDerWaalsContact O-CA 3.31Å; M87-H95 WeakPolarHBondContact O-CA 3.42Å; M87-F96 HydrophobicContact CB-CE2 4.5Å; M87-F96 HydrophobicContact CE-CD2 4.43Å; M87-F96 HydrophobicContact CE-CE2 4.06Å; M87-F96 HydrophobicContact CG-CD2 3.5Å; M87-F96 HydrophobicContact CG-CE1 4.11Å; M87-F96 HydrophobicContact CG-CE2 3.02Å; M87-F96 HydrophobicContact CG-CG 4.27Å; M87-F96 HydrophobicContact CG-CZ 3.37Å; M87-F96 PolarHBondContact N-O 3.45Å; M87-F96 PolarHBondContact O-N 3.36Å; M87-F96 HydrophobicContact SD-CD2 4.13Å; M87-F96 HydrophobicContact SD-CE2 3.3Å; M87-F96 WeakPolarHBondContact SD-CE2 3.17Å; M87-F96 HydrophobicContact SD-CZ 3.84Å; M87-I98 HydrophobicContact CE-CD1 4.02Å; M87-I98 HydrophobicContact CE-CG1 4.37Å
88K94.7Very high94.9Very high96 Ų9662.3 Ų62.342%0.41731%0.307SS..EExtended strand (participates in β ladder)trans-92.9139.8-178.9-168.6-171.7178.3-177.30110Y67 D93Y67-K88 VanDerWaalsContact CD1-O 3.25Å; Y67-K88 WeakPolarHBondContact CD1-O 3.39Å; Y67-K88 WeakPolarHBondContact CE1-O 3.2Å; K88-D93 WeakPolarHBondContact CE-OD1 3.48Å; K88-D93 IonicContact NZ-OD1 3.24Å; K88-D93 PolarHBondContact NZ-OD1 3.38Å
89C94.5Very high95Very high5 Ų555.5 Ų55.53%0.03428%0.282CS..  trans-60.5145.9169.1-171.20000111L91 C92 N94 F96C89-L91 VanDerWaalsContact C-N 3.31Å; C89-C92 WeakPolarHBondContact CB-SG 3.32Å; C89-C92 VanDerWaalsContact O-O 3.06Å; C89-C92 VanDerWaalsContact SG-SG 3.62Å; C89-N94 PolarHBondContact N-O 3Å; C89-F96 HydrophobicContact CB-CE1 4.2Å
90H91Very high95.1Very high111 Ų11151.6 Ų51.651%0.51425%0.253SS..SBendtrans-79.8-14.9177.865.4-78000113Y67Y67-H90 HydrophobicContact CE1-CB 4.35Å; Y67-H90 AromaticContact CZ-ND1 3.95Å; Y67-H90 PolarHBondContact OH-ND1 2.88Å
91L92.3Very high95.1Very high95 Ų9550.3 Ų50.350%0.49724%0.244SC..SBendtrans-108.3-21.9-177.1-59.9169.6000113.4N59 C89N59-L91 HydrophobicContact CB-CD1 3.39Å; N59-L91 VanDerWaalsContact ND2-CD1 3.34Å; N59-L91 WeakPolarHBondContact ND2-CD1 3.3Å; C89-L91 VanDerWaalsContact C-N 3.31Å
92C93.5Very high95.1Very high29 Ų2950.3 Ų50.320%0.19624%0.244CC..SBendtrans-141.8169.6-177.867.10000111.7C57 C89 N94C57-C92 HydrophobicContact CB-CB 3.98Å; C57-C92 VanDerWaalsContact SG-SG 3.65Å; C89-C92 WeakPolarHBondContact CB-SG 3.32Å; C89-C92 VanDerWaalsContact O-O 3.06Å; C89-C92 VanDerWaalsContact SG-SG 3.62Å; C92-N94 PolarHBondContact O-N 2.95Å; C92-N94 VanDerWaalsContact SG-CB 3.54Å
93D94.1Very high95Very high126 Ų12654.8 Ų54.867%0.67426%0.262SS*.SBendtrans-78.52.3178.9-67.2-45.7000114.5K88 H95K88-D93 WeakPolarHBondContact CE-OD1 3.48Å; K88-D93 IonicContact NZ-OD1 3.24Å; K88-D93 PolarHBondContact NZ-OD1 3.38Å; D93-H95 PolarHBondContact O-ND1 2.84Å; D93-H95 VanDerWaalsContact O-ND1 3.12Å
94N93.7Very high94.8Very high53 Ų5356.5 Ų56.528%0.28328%0.276SS..  trans-67.8139.7178.5-162.211.8000111.4G56 C89 C92G56-N94 PolarHBondContact N-ND2 2.68Å; C89-N94 PolarHBondContact N-O 3Å; C92-N94 PolarHBondContact O-N 2.95Å; C92-N94 VanDerWaalsContact SG-CB 3.54Å
95H94.6Very high94.6Very high76 Ų7664.7 Ų64.735%0.35231%0.311SS..EExtended strand (participates in β ladder)trans-108.6139.6172.9-68.569.1000109M87 D93M87-H95 CarbonylContact O-C 3.58Å; M87-H95 VanDerWaalsContact O-CA 3.31Å; M87-H95 WeakPolarHBondContact O-CA 3.42Å; D93-H95 PolarHBondContact O-ND1 2.84Å; D93-H95 VanDerWaalsContact O-ND1 3.12Å
96F95.3Very high94.4Very high0 Ų066.8 Ų66.80%032%0.323CS..EExtended strand (participates in β ladder)trans-125.5154.9177.253.3-96.2000111.9M48 I61 Y67 R86 M87 C89 I98 S111 L113M48-F96 HydrophobicContact CE-CE2 4.23Å; M48-F96 HydrophobicContact SD-CE2 3.9Å; M48-F96 HydrophobicContact SD-CZ 4.36Å; I61-F96 HydrophobicContact CD1-CE1 3.96Å; I61-F96 HydrophobicContact CD1-CZ 4.01Å; Y67-F96 HydrophobicContact CD2-CZ 4.38Å; Y67-F96 HydrophobicContact CE1-CZ 4.23Å; Y67-F96 HydrophobicContact CE2-CZ 4.01Å; Y67-F96 AromaticContact CZ-CZ 3.93Å; R86-F96 WeakPolarHBondContact CA-O 3.12Å; M87-F96 HydrophobicContact CB-CE2 4.5Å; M87-F96 HydrophobicContact CE-CD2 4.43Å; M87-F96 HydrophobicContact CE-CE2 4.06Å; M87-F96 HydrophobicContact CG-CD2 3.5Å; M87-F96 HydrophobicContact CG-CE1 4.11Å; M87-F96 HydrophobicContact CG-CE2 3.02Å; M87-F96 HydrophobicContact CG-CG 4.27Å; M87-F96 HydrophobicContact CG-CZ 3.37Å; M87-F96 PolarHBondContact N-O 3.45Å; M87-F96 PolarHBondContact O-N 3.36Å; M87-F96 HydrophobicContact SD-CD2 4.13Å; M87-F96 HydrophobicContact SD-CE2 3.3Å; M87-F96 WeakPolarHBondContact SD-CE2 3.17Å; M87-F96 HydrophobicContact SD-CZ 3.84Å; C89-F96 HydrophobicContact CB-CE1 4.2Å; F96-I98 HydrophobicContact CD2-CD1 4.46Å; F96-I98 HydrophobicContact CD2-CG1 4.48Å; F96-I98 HydrophobicContact CE2-CD1 4.44Å; F96-S111 VanDerWaalsContact CA-O 3.28Å; F96-S111 WeakPolarHBondContact CA-O 3.37Å; F96-S111 VanDerWaalsContact CB-O 3.22Å; F96-S111 WeakPolarHBondContact CB-O 3.42Å; F96-L113 HydrophobicContact CB-CD1 4.02Å; F96-L113 HydrophobicContact CB-CD2 4.25Å; F96-L113 HydrophobicContact CB-CG 3.59Å; F96-L113 HydrophobicContact CD1-CD2 4.05Å; F96-L113 HydrophobicContact CD1-CG 4.26Å; F96-L113 HydrophobicContact CD2-CD1 3.22Å; F96-L113 HydrophobicContact CD2-CD2 4.13Å; F96-L113 HydrophobicContact CD2-CG 3.68Å; F96-L113 HydrophobicContact CE1-CD2 4.36Å; F96-L113 HydrophobicContact CE2-CD1 3.64Å; F96-L113 HydrophobicContact CE2-CD2 4.37Å; F96-L113 HydrophobicContact CE2-CG 4.29Å; F96-L113 HydrophobicContact CG-CD1 3.74Å; F96-L113 HydrophobicContact CG-CD2 3.92Å; F96-L113 HydrophobicContact CG-CG 3.62Å; F96-L113 HydrophobicContact CZ-CD2 4.5Å
97E95.9Very high94.3Very high44 Ų4465.3 Ų65.321%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-126.9132-173.6-58-169.614400111.6Q84 F85 R86 V110 S111Q84-E97 HydrophobicContact CG-CB 4.43Å; Q84-E97 PolarHBondContact NE2-OE1 3.46Å; Q84-E97 VanDerWaalsContact NE2-OE1 3.15Å; Q84-E97 PolarHBondContact NE2-OE2 3.27Å; F85-E97 VanDerWaalsContact O-CA 3.31Å; F85-E97 WeakPolarHBondContact O-CA 3.39Å; R86-E97 HydrophobicContact CB-CG 4.16Å; R86-E97 HydrophobicContact CG-CG 4.11Å; E97-V110 HydrophobicContact CB-CB 4.11Å; E97-V110 PolarHBondContact O-N 3.25Å; E97-S111 WeakPolarHBondContact CB-OG 3.2Å; E97-S111 PolarHBondContact N-O 3.31Å; E97-S111 PolarHBondContact O-N 3.34Å
98I96.2Very high94.3Very high0 Ų070.5 Ų70.50%034%0.342CS..EExtended strand (participates in β ladder)trans-125.1133.8179.5-55.7-179.4000108.4F46 M48 Q84 F85 M87 F96 Y107 E108 L109 L113F46-I98 HydrophobicContact CE1-CD1 4.43Å; M48-I98 HydrophobicContact CE-CD1 3.66Å; M48-I98 HydrophobicContact SD-CD1 3.92Å; Q84-I98 CarbonylContact C-O 3.52Å; Q84-I98 WeakPolarHBondContact CA-O 3.44Å; F85-I98 PolarHBondContact N-O 3.14Å; F85-I98 PolarHBondContact O-N 3.44Å; M87-I98 HydrophobicContact CE-CD1 4.02Å; M87-I98 HydrophobicContact CE-CG1 4.37Å; F96-I98 HydrophobicContact CD2-CD1 4.46Å; F96-I98 HydrophobicContact CD2-CG1 4.48Å; F96-I98 HydrophobicContact CE2-CD1 4.44Å; I98-Y107 HydrophobicContact CG2-CD1 3.85Å; I98-Y107 HydrophobicContact CG2-CG 4.08Å; I98-E108 WeakPolarHBondContact CA-O 3.16Å; I98-L109 HydrophobicContact CD1-CD2 4.18Å; I98-L109 HydrophobicContact CG1-CD2 3.9Å; I98-L113 HydrophobicContact CD1-CD1 3.83Å; I98-L113 HydrophobicContact CG1-CD1 3.99Å
99K96.2Very high94.3Very high54 Ų5467.8 Ų67.824%0.23533%0.332CS..EExtended strand (participates in β ladder)trans-109.9148.6174.8-79.6173.8-170.8167.30111.2Y83 Q84 Y107 E108 V110Y83-K99 WeakPolarHBondContact O-CA 3.46Å; Q84-K99 HydrophobicContact CB-CG 4.01Å; Q84-K99 HydrophobicContact CG-CG 4.09Å; K99-Y107 CarbonylContact O-C 3.59Å; K99-Y107 VanDerWaalsContact O-CA 3.24Å; K99-Y107 WeakPolarHBondContact O-CA 3.46Å; K99-E108 HydrophobicContact CB-CB 4.41Å; K99-E108 PolarHBondContact N-O 3.11Å; K99-E108 PolarHBondContact O-N 3.44Å; K99-V110 HydrophobicContact CB-CG2 3.99Å; K99-V110 HydrophobicContact CD-CG2 3.44Å; K99-V110 VanDerWaalsContact CD-CG2 3.44Å; K99-V110 HydrophobicContact CG-CG2 3.51Å
100T97.1Very high94.3Very high28 Ų2870.4 Ų70.417%0.17235%0.348CS..EExtended strand (participates in β ladder)trans-79.3128169.655.50000110.5I82 Y83 F85 P102 Y107I82-T100 WeakPolarHBondContact CA-OG1 3.45Å; I82-T100 WeakPolarHBondContact CG2-O 3.4Å; Y83-T100 PolarHBondContact N-OG1 3.38Å; Y83-T100 PolarHBondContact O-N 3.13Å; Y83-T100 PolarHBondContact O-OG1 2.92Å; F85-T100 HydrophobicContact CE2-CG2 3.72Å; F85-T100 HydrophobicContact CZ-CG2 4.33Å; T100-P102 VanDerWaalsContact O-CD 3.29Å; T100-P102 WeakPolarHBondContact O-CD 3.46Å; T100-Y107 HydrophobicContact CG2-CD1 4.07Å; T100-Y107 HydrophobicContact CG2-CE1 3.74Å
101D95.6Very high94.5Very high41 Ų4167.3 Ų67.322%0.21934%0.339CS..EExtended strand (participates in β ladder)trans-108.195.4170.1-178.310.1000110.8K103 N104 F105 D106D101-K103 PolarHBondContact O-N 3.14Å; D101-K103 WeakPolarHBondContact OD1-CB 3.42Å; D101-K103 PolarHBondContact OD1-N 2.87Å; D101-N104 PolarHBondContact O-N 3.31Å; D101-N104 PolarHBondContact OD2-ND2 3.42Å; D101-F105 PolarHBondContact O-N 3.23Å; D101-D106 WeakPolarHBondContact CA-O 3.36Å; D101-D106 PolarHBondContact N-O 2.71Å; D101-D106 PolarHBondContact O-N 2.81Å
102P95.4Very high94.5Very high33 Ų3363.1 Ų63.121%0.21432%0.318CS..THydrogen-bonded Turntrans-68.1-14.9179.626.8-33.9000114Y77 T80 I82 T100Y77-P102 HydrophobicContact CD1-CB 3.91Å; Y77-P102 HydrophobicContact CD1-CG 3.53Å; Y77-P102 HydrophobicContact CD2-CG 4.43Å; Y77-P102 HydrophobicContact CE1-CG 4.44Å; Y77-P102 HydrophobicContact CG-CB 4.4Å; Y77-P102 HydrophobicContact CG-CG 3.51Å; T80-P102 HydrophobicContact CG2-CB 4.3Å; I82-P102 HydrophobicContact CG1-CG 4.45Å; T100-P102 VanDerWaalsContact O-CD 3.29Å; T100-P102 WeakPolarHBondContact O-CD 3.46Å
103K94.7Very high94.5Very high136 Ų13662.1 Ų62.159%0.59131%0.311SS*.THydrogen-bonded Turntrans-71.5-42.4178-177.1-178.4177-176.50111.7Y77 D101Y77-K103 HydrophobicContact CE1-CB 4.42Å; Y77-K103 HydrophobicContact CE2-CB 4.16Å; D101-K103 PolarHBondContact O-N 3.14Å; D101-K103 WeakPolarHBondContact OD1-CB 3.42Å; D101-K103 PolarHBondContact OD1-N 2.87Å
104N92.7Very high94.5Very high108 Ų10863.5 Ų63.558%0.57831%0.307SS*.THydrogen-bonded Turntrans-102.81.8-175.1-63.6-42.7000113.3D101 D106D101-N104 PolarHBondContact O-N 3.31Å; D101-N104 PolarHBondContact OD2-ND2 3.42Å; N104-D106 HydrophobicContact CB-CB 4.47Å; N104-D106 PolarHBondContact O-N 2.93Å
105F91.7Very high94.4Very high199 Ų19966.1 Ų66.187%0.87331%0.312SS*.THydrogen-bonded Turntrans53.235.6-171.3-59.4-83.6000113D101D101-F105 PolarHBondContact O-N 3.23Å
106D93.3Very high94.2Very high56 Ų5664.9 Ų64.930%0.29931%0.307SS..EExtended strand (participates in β ladder)trans-130.3178.8-177.3-155.7-6.7000110.9D101 N104 R115D101-D106 WeakPolarHBondContact CA-O 3.36Å; D101-D106 PolarHBondContact N-O 2.71Å; D101-D106 PolarHBondContact O-N 2.81Å; N104-D106 HydrophobicContact CB-CB 4.47Å; N104-D106 PolarHBondContact O-N 2.93Å; D106-R115 IonicContact OD1-NH1 2.72Å; D106-R115 IonicContact OD1-NH2 3.31Å; D106-R115 IonicContact OD2-CZ 2.97Å; D106-R115 IonicContact OD2-NH1 2.74Å; D106-R115 PolarHBondContact OD2-NH1 3.16Å; D106-R115 IonicContact OD2-NH2 2.66Å; D106-R115 PolarHBondContact OD2-NH2 2.79Å
107Y94.4Very high93.5Very high79 Ų7971.2 Ų71.231%0.3134%0.336SS..EExtended strand (participates in β ladder)trans-109.8135.4170.4-61.2-98.5000110.7F46 P49 F85 I98 K99 T100F46-Y107 HydrophobicContact CE2-CE1 4.12Å; F46-Y107 HydrophobicContact CZ-CD1 4.37Å; F46-Y107 AromaticContact CZ-CE1 3.88Å; F46-Y107 HydrophobicContact CZ-CE1 3.88Å; P49-Y107 HydrophobicContact CB-CD2 3.73Å; P49-Y107 HydrophobicContact CB-CE2 3.82Å; P49-Y107 HydrophobicContact CG-CD2 3.61Å; P49-Y107 HydrophobicContact CG-CE2 4.04Å; P49-Y107 HydrophobicContact CG-CG 4.02Å; F85-Y107 HydrophobicContact CE2-CE1 4.07Å; I98-Y107 HydrophobicContact CG2-CD1 3.85Å; I98-Y107 HydrophobicContact CG2-CG 4.08Å; K99-Y107 CarbonylContact O-C 3.59Å; K99-Y107 VanDerWaalsContact O-CA 3.24Å; K99-Y107 WeakPolarHBondContact O-CA 3.46Å; T100-Y107 HydrophobicContact CG2-CD1 4.07Å; T100-Y107 HydrophobicContact CG2-CE1 3.74Å
108E94.2Very high92.4Very high111 Ų11177.7 Ų77.752%0.51936%0.359SS..EExtended strand (participates in β ladder)trans-91.3128.3173.9-171.7-177.2-168.700109.5I98 K99I98-E108 WeakPolarHBondContact CA-O 3.16Å; K99-E108 HydrophobicContact CB-CB 4.41Å; K99-E108 PolarHBondContact N-O 3.11Å; K99-E108 PolarHBondContact O-N 3.44Å
109L94Very high90.9Very high40 Ų4087.9 Ų87.921%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-81.1116.1172-66.1-178.9000108.9F50 V52 I98 L113 R115F50-L109 HydrophobicContact CE2-CD1 3.84Å; F50-L109 HydrophobicContact CE2-CD2 3.58Å; F50-L109 HydrophobicContact CE2-CG 3.78Å; F50-L109 HydrophobicContact CZ-CD1 4.31Å; F50-L109 HydrophobicContact CZ-CD2 3.6Å; F50-L109 HydrophobicContact CZ-CG 3.77Å; V52-L109 HydrophobicContact CG1-CD1 4.26Å; V52-L109 HydrophobicContact CG1-CD2 4.43Å; I98-L109 HydrophobicContact CD1-CD2 4.18Å; I98-L109 HydrophobicContact CG1-CD2 3.9Å; L109-L113 HydrophobicContact CD1-CB 4.01Å; L109-L113 HydrophobicContact CD2-CB 3.9Å; L109-L113 HydrophobicContact CD2-CD1 3.69Å; L109-L113 HydrophobicContact CD2-CG 4.49Å; L109-L113 HydrophobicContact CG-CB 4.42Å; L109-R115 HydrophobicContact CD1-CB 3.84Å; L109-R115 VanDerWaalsContact CD1-N 3.27Å
110V94.5Very high89.2Confident59 Ų5992.4 Ų92.436%0.35841%0.413SS..EExtended strand (participates in β ladder)trans-89-48.8-177.3-177.90000111E97 K99E97-V110 HydrophobicContact CB-CB 4.11Å; E97-V110 PolarHBondContact O-N 3.25Å; K99-V110 HydrophobicContact CB-CG2 3.99Å; K99-V110 HydrophobicContact CD-CG2 3.44Å; K99-V110 VanDerWaalsContact CD-CG2 3.44Å; K99-V110 HydrophobicContact CG-CG2 3.51Å
111S94.2Very high87.5Confident47 Ų4794.6 Ų94.633%0.32942%0.424SS..EExtended strand (participates in β ladder)trans-157.3148.9-173.9610000112.2F96 E97 L113F96-S111 VanDerWaalsContact CA-O 3.28Å; F96-S111 WeakPolarHBondContact CA-O 3.37Å; F96-S111 VanDerWaalsContact CB-O 3.22Å; F96-S111 WeakPolarHBondContact CB-O 3.42Å; E97-S111 WeakPolarHBondContact CB-OG 3.2Å; E97-S111 PolarHBondContact N-O 3.31Å; E97-S111 PolarHBondContact O-N 3.34Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.18Å
112G92.5Very high85.9Confident6 Ų695.2 Ų95.26%0.06243%0.426CS..SBendtrans79.12170.100000115.2E55E55-G112 PolarHBondContact N-O 3.17Å; E55-G112 VanDerWaalsContact N-O 3.08Å; E55-G112 WeakPolarHBondContact OE2-CA 3.33Å; E55-G112 PolarHBondContact OE2-N 3.11Å; E55-G112 VanDerWaalsContact OE2-N 3.11Å
113L94.2Very high84.4Confident8 Ų896.9 Ų96.94%0.04244%0.442CS..EExtended strand (participates in β ladder)trans-139.3142.9-179-71.5177000111.8M48 V52 W53 C54 I61 F96 I98 L109 S111M48-L113 HydrophobicContact CE-CD1 3.91Å; V52-L113 HydrophobicContact CB-CB 4.47Å; V52-L113 HydrophobicContact CB-CD1 4.43Å; V52-L113 HydrophobicContact CB-CD2 4Å; V52-L113 HydrophobicContact CG1-CD1 4.36Å; V52-L113 HydrophobicContact CG2-CD1 4.07Å; V52-L113 HydrophobicContact CG2-CD2 3.51Å; V52-L113 HydrophobicContact CG2-CG 4.29Å; W53-L113 WeakPolarHBondContact O-CA 3.38Å; C54-L113 HydrophobicContact CB-CD2 4.49Å; I61-L113 HydrophobicContact CD1-CD2 4.09Å; F96-L113 HydrophobicContact CB-CD1 4.02Å; F96-L113 HydrophobicContact CB-CD2 4.25Å; F96-L113 HydrophobicContact CB-CG 3.59Å; F96-L113 HydrophobicContact CD1-CD2 4.05Å; F96-L113 HydrophobicContact CD1-CG 4.26Å; F96-L113 HydrophobicContact CD2-CD1 3.22Å; F96-L113 HydrophobicContact CD2-CD2 4.13Å; F96-L113 HydrophobicContact CD2-CG 3.68Å; F96-L113 HydrophobicContact CE1-CD2 4.36Å; F96-L113 HydrophobicContact CE2-CD1 3.64Å; F96-L113 HydrophobicContact CE2-CD2 4.37Å; F96-L113 HydrophobicContact CE2-CG 4.29Å; F96-L113 HydrophobicContact CG-CD1 3.74Å; F96-L113 HydrophobicContact CG-CD2 3.92Å; F96-L113 HydrophobicContact CG-CG 3.62Å; F96-L113 HydrophobicContact CZ-CD2 4.5Å; I98-L113 HydrophobicContact CD1-CD1 3.83Å; I98-L113 HydrophobicContact CG1-CD1 3.99Å; L109-L113 HydrophobicContact CD1-CB 4.01Å; L109-L113 HydrophobicContact CD2-CB 3.9Å; L109-L113 HydrophobicContact CD2-CD1 3.69Å; L109-L113 HydrophobicContact CD2-CG 4.49Å; L109-L113 HydrophobicContact CG-CB 4.42Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.18Å
114R93.4Very high83Confident156 Ų15697.4 Ų97.459%0.58945%0.447SS*.EExtended strand (participates in β ladder)trans-115.5131.5166.4-174.4175.768.3170.81.5109.9V52 W53V52-R114 CarbonylContact C-O 3.54Å; V52-R114 VanDerWaalsContact CA-O 3.3Å; V52-R114 WeakPolarHBondContact CA-O 3.29Å; W53-R114 HydrophobicContact CB-CB 4.42Å; W53-R114 PolarHBondContact N-O 2.85Å; W53-R114 PolarHBondContact O-N 3.45Å
115R92Very high81.7Confident107 Ų10796.2 Ų96.240%0.40444%0.441SS..EExtended strand (participates in β ladder)trans-64.6137.6175.8-166168.9-173151.8-3.2109.6F50 D106 L109 E117F50-R115 HydrophobicContact CD2-CG 3.91Å; F50-R115 HydrophobicContact CE2-CG 4.16Å; D106-R115 IonicContact OD1-NH1 2.72Å; D106-R115 IonicContact OD1-NH2 3.31Å; D106-R115 IonicContact OD2-CZ 2.97Å; D106-R115 IonicContact OD2-NH1 2.74Å; D106-R115 PolarHBondContact OD2-NH1 3.16Å; D106-R115 IonicContact OD2-NH2 2.66Å; D106-R115 PolarHBondContact OD2-NH2 2.79Å; L109-R115 HydrophobicContact CD1-CB 3.84Å; L109-R115 VanDerWaalsContact CD1-N 3.27Å; R115-E117 PolarHBondContact O-N 3.18Å; R115-E117 VanDerWaalsContact O-N 3.14Å
116Q90.9Very high80.4Confident51 Ų5196 Ų9624%0.23844%0.442CS..  trans-68.6110.5166.4-174.8-177.543.300107.6N51 R118N51-Q116 HydrophobicContact CB-CB 3.88Å; N51-Q116 WeakPolarHBondContact O-CB 3.48Å; N51-Q116 PolarHBondContact O-N 3.32Å; Q116-R118 HydrophobicContact CG-CG 4.35Å; Q116-R118 PolarHBondContact O-N 3.03Å; Q116-R118 VanDerWaalsContact OE1-NE 3.14Å
117E81.4Confident79Confident132 Ų13298.4 Ų98.462%0.61745%0.452SS*.  trans-66.7115.1172.7-16661.8-109.300108.2R115 R119R115-E117 PolarHBondContact O-N 3.18Å; R115-E117 VanDerWaalsContact O-N 3.14Å; E117-R119 HydrophobicContact CG-CB 4.3Å; E117-R119 VanDerWaalsContact OE1-CB 3.26Å; E117-R119 WeakPolarHBondContact OE1-CB 3.43Å; E117-R119 WeakPolarHBondContact OE1-CD 3.39Å; E117-R119 WeakPolarHBondContact OE1-CG 3.34Å; E117-R119 PolarHBondContact OE1-N 3.22Å; E117-R119 IonicContact OE1-NE 3.77Å
118R72.7Confident77.5Confident180 Ų180101.6 Ų101.668%0.67948%0.479SS*.  trans-1092.6174-71.7-171.2173.2-156.6-6.8111.8N51 Q116 W120N51-R118 PolarHBondContact ND2-NE 3.09Å; N51-R118 PolarHBondContact ND2-NH2 3.4Å; Q116-R118 HydrophobicContact CG-CG 4.35Å; Q116-R118 PolarHBondContact O-N 3.03Å; Q116-R118 VanDerWaalsContact OE1-NE 3.14Å; R118-W120 PolarHBondContact O-N 2.95Å
119R63.5Low75.8Confident215 Ų21599.3 Ų99.381%0.81148%0.475SS*.  trans-61112174.8-75.6177.8-178.9-175.31.7107.9E117 N121E117-R119 HydrophobicContact CG-CB 4.3Å; E117-R119 VanDerWaalsContact OE1-CB 3.26Å; E117-R119 WeakPolarHBondContact OE1-CB 3.43Å; E117-R119 WeakPolarHBondContact OE1-CD 3.39Å; E117-R119 WeakPolarHBondContact OE1-CG 3.34Å; E117-R119 PolarHBondContact OE1-N 3.22Å; E117-R119 IonicContact OE1-NE 3.77Å; R119-N121 PolarHBondContact O-N 3.48Å; R119-N121 VanDerWaalsContact O-N 3.11Å
120W61.6Low74.5Confident148 Ų148101 Ų10156%0.56149%0.49SS*.  trans-68103.3173.6-177.4-91.4000108.1R118 M122 N125R118-W120 PolarHBondContact O-N 2.95Å; W120-M122 PolarHBondContact O-N 3.44Å; W120-N125 HydrophobicContact CH2-CB 4.39Å; W120-N125 WeakPolarHBondContact CH2-ND2 3.34Å; W120-N125 HydrophobicContact CZ2-CB 3.94Å; W120-N125 VanDerWaalsContact CZ2-ND2 3.26Å; W120-N125 WeakPolarHBondContact CZ2-ND2 3.13Å; W120-N125 WeakPolarHBondContact CZ3-ND2 3.11Å
121N61.3Low73.3Confident74 Ų74102.1 Ų102.140%0.39650%0.497SS..  trans-83.4103.7171.2-165.7-2.4000108.2R119 A123 E124R119-N121 PolarHBondContact O-N 3.48Å; R119-N121 VanDerWaalsContact O-N 3.11Å; N121-A123 PolarHBondContact O-N 3.05Å; N121-A123 PolarHBondContact OD1-N 3.33Å; N121-E124 HydrophobicContact CB-CB 4.25Å; N121-E124 HydrophobicContact CB-CG 4.09Å; N121-E124 PolarHBondContact ND2-OE1 3.42Å; N121-E124 PolarHBondContact O-N 3.35Å; N121-E124 VanDerWaalsContact O-N 3.16Å
122M60.6Low72.5Confident54 Ų54106.1 Ų106.127%0.26651%0.51SS..THydrogen-bonded Turntrans-58.7-29.9-178.9-66174.1-69.600112W120 E124 Q127 C129 S130W120-M122 PolarHBondContact O-N 3.44Å; M122-E124 PolarHBondContact O-N 2.71Å; M122-Q127 PolarHBondContact O-N 2.9Å; M122-C129 VanDerWaalsContact C-SG 3.58Å; M122-C129 HydrophobicContact CB-CB 4.26Å; M122-C129 VanDerWaalsContact CB-SG 3.5Å; M122-S130 WeakPolarHBondContact CE-OG 3.11Å; M122-S130 PolarHBondContact SD-N 2.64Å
123A65.3Low71.8Confident68 Ų68115.7 Ų115.756%0.56255%0.545SS*.THydrogen-bonded Turntrans-70.1-29.7-179.200000113.2N121 C129N121-A123 PolarHBondContact O-N 3.05Å; N121-A123 PolarHBondContact OD1-N 3.33Å; A123-C129 PolarHBondContact N-SG 2.95Å; A123-C129 VanDerWaalsContact N-SG 3.4Å
124E64.9Low71.2Confident147 Ų147118.7 Ų118.769%0.68756%0.563SS**THydrogen-bonded Turntrans-79.2-23.9-178.8-74.8169.7-15500112.8N121 M122N121-E124 HydrophobicContact CB-CB 4.25Å; N121-E124 HydrophobicContact CB-CG 4.09Å; N121-E124 PolarHBondContact ND2-OE1 3.42Å; N121-E124 PolarHBondContact O-N 3.35Å; N121-E124 VanDerWaalsContact O-N 3.16Å; M122-E124 PolarHBondContact O-N 2.71Å
125N66Low70.8Confident83 Ų83112.7 Ų112.744%0.44454%0.544SS..THydrogen-bonded Turntrans-104.817.8-174.2-73.8-24.2000113.9W120 Q127W120-N125 HydrophobicContact CH2-CB 4.39Å; W120-N125 WeakPolarHBondContact CH2-ND2 3.34Å; W120-N125 HydrophobicContact CZ2-CB 3.94Å; W120-N125 VanDerWaalsContact CZ2-ND2 3.26Å; W120-N125 WeakPolarHBondContact CZ2-ND2 3.13Å; W120-N125 WeakPolarHBondContact CZ3-ND2 3.11Å; N125-Q127 PolarHBondContact O-N 3.48Å
126E64.4Low70.5Confident194 Ų194110 Ų11091%0.90754%0.542SS*.THydrogen-bonded Turntrans53.223.9179-57.1-177.7158.700114.2
127Q62.5Low70.3Confident108 Ų108112.1 Ų112.151%0.50555%0.554SS.*  trans-89.3153.2174.8-73.7-178.318.700109.8M122 N125 C129M122-Q127 PolarHBondContact O-N 2.9Å; N125-Q127 PolarHBondContact O-N 3.48Å; Q127-C129 PolarHBondContact O-N 3.42Å
128V64Low70.7Confident145 Ų145111.4 Ų111.488%0.87955%0.549SS*.  trans-61.2103.1176.1-175.60000108.1S130V128-S130 PolarHBondContact O-N 3.09Å
129C58.4Low71.4Confident63 Ų63104.9 Ų104.943%0.42653%0.528SS..PPolyproline II helixtrans-55.9125.9176.7-76.10000109.4M122 A123 Q127 V131M122-C129 VanDerWaalsContact C-SG 3.58Å; M122-C129 HydrophobicContact CB-CB 4.26Å; M122-C129 VanDerWaalsContact CB-SG 3.5Å; A123-C129 PolarHBondContact N-SG 2.95Å; A123-C129 VanDerWaalsContact N-SG 3.4Å; Q127-C129 PolarHBondContact O-N 3.42Å; C129-V131 PolarHBondContact O-N 3.43Å
130S65.3Low72.6Confident77 Ų7799.5 Ų99.554%0.53852%0.523SS..PPolyproline II helixtrans-58.1140.1159.168.70000108.2M122 V128 E132M122-S130 WeakPolarHBondContact CE-OG 3.11Å; M122-S130 PolarHBondContact SD-N 2.64Å; V128-S130 PolarHBondContact O-N 3.09Å; S130-E132 PolarHBondContact O-N 3.17Å
131V70.1Confident74.1Confident81 Ų8196.9 Ų96.949%0.49153%0.533SS..PPolyproline II helixtrans-47.1129.9-179.4-164.30000110.1C129 T135 L139C129-V131 PolarHBondContact O-N 3.43Å; V131-T135 WeakPolarHBondContact CG1-OG1 3.36Å; V131-L139 HydrophobicContact CB-CD1 4.41Å; V131-L139 HydrophobicContact CG1-CD1 3.59Å; V131-L139 HydrophobicContact CG2-CD1 4.41Å
132E76.7Confident75.6Confident132 Ų13297.1 Ų97.162%0.61753%0.534SS*.PPolyproline II helixtrans-50.6145.4-178.2-161-167168.800110S130 T134 T135 S136S130-E132 PolarHBondContact O-N 3.17Å; E132-T134 PolarHBondContact O-N 3.23Å; E132-T134 PolarHBondContact OE1-OG1 3.36Å; E132-T134 PolarHBondContact OE2-OG1 2.96Å; E132-T134 VanDerWaalsContact OE2-OG1 3.08Å; E132-T135 WeakPolarHBondContact CA-OG1 3.39Å; E132-T135 VanDerWaalsContact CB-OG1 3.27Å; E132-T135 WeakPolarHBondContact CB-OG1 3.38Å; E132-T135 PolarHBondContact N-OG1 3.39Å; E132-T135 CarbonylContact O-C 3.57Å; E132-T135 PolarHBondContact O-N 2.93Å; E132-T135 PolarHBondContact O-OG1 2.92Å; E132-S136 PolarHBondContact O-N 3.16Å
133R78.5Confident77.1Confident207 Ų20798.4 Ų98.478%0.78155%0.553SS**Hα-helixtrans-55.3-34.9-175.1-175.2168.8178.1141.3-1.7112.6N137R133-N137 WeakPolarHBondContact O-CB 3.26Å; R133-N137 PolarHBondContact O-N 3.39Å; R133-N137 PolarHBondContact O-ND2 3.35Å; R133-N137 PolarHBondContact O-OD1 3.27Å
134T82.2Confident78.5Confident70 Ų70101.1 Ų101.143%0.42956%0.556SS.*Hα-helixtrans-62.9-48.1174.952.10000111.8E132 N137 K138E132-T134 PolarHBondContact O-N 3.23Å; E132-T134 PolarHBondContact OE1-OG1 3.36Å; E132-T134 PolarHBondContact OE2-OG1 2.96Å; E132-T134 VanDerWaalsContact OE2-OG1 3.08Å; T134-N137 PolarHBondContact O-N 3.02Å; T134-K138 WeakPolarHBondContact O-CG 3.49Å; T134-K138 PolarHBondContact O-N 3.42Å
135T84.4Confident79.8Confident31 Ų3196.2 Ų96.219%0.1953%0.531CS..Hα-helixtrans-71.5-36.5178.742.10000111.5V131 E132 N137 K138 L139V131-T135 WeakPolarHBondContact CG1-OG1 3.36Å; E132-T135 WeakPolarHBondContact CA-OG1 3.39Å; E132-T135 VanDerWaalsContact CB-OG1 3.27Å; E132-T135 WeakPolarHBondContact CB-OG1 3.38Å; E132-T135 PolarHBondContact N-OG1 3.39Å; E132-T135 CarbonylContact O-C 3.57Å; E132-T135 PolarHBondContact O-N 2.93Å; E132-T135 PolarHBondContact O-OG1 2.92Å; T135-N137 VanDerWaalsContact C-N 3.35Å; T135-N137 PolarHBondContact O-N 3.45Å; T135-K138 PolarHBondContact O-N 2.97Å; T135-L139 WeakPolarHBondContact O-CB 3.41Å; T135-L139 WeakPolarHBondContact O-CD1 3.39Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 3.4Å
136S85.8Confident81.1Confident51 Ų5198.5 Ų98.536%0.35754%0.538SS..Hα-helixtrans-61.2-41.8171.4-1750000112E132 S140E132-S136 PolarHBondContact O-N 3.16Å; S136-S140 WeakPolarHBondContact O-CB 3.16Å; S136-S140 PolarHBondContact O-N 2.93Å; S136-S140 VanDerWaalsContact O-N 3.11Å; S136-S140 PolarHBondContact O-OG 3.4Å
137N87.1Confident82.5Confident94 Ų9494 Ų9450%0.50352%0.519SS..Hα-helixtrans-64.5-43.1174.8-73.5-10.8000110.8R133 T134 T135 S140 A141R133-N137 WeakPolarHBondContact O-CB 3.26Å; R133-N137 PolarHBondContact O-N 3.39Å; R133-N137 PolarHBondContact O-ND2 3.35Å; R133-N137 PolarHBondContact O-OD1 3.27Å; T134-N137 PolarHBondContact O-N 3.02Å; T135-N137 VanDerWaalsContact C-N 3.35Å; T135-N137 PolarHBondContact O-N 3.45Å; N137-S140 PolarHBondContact O-N 3.39Å; N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.35Å; N137-A141 PolarHBondContact O-N 2.96Å
138K88.8Confident84Confident117 Ų11793.8 Ų93.851%0.50952%0.518SS..Hα-helixtrans-63.1-44.9176.2-72179.1-178.4-176.30112.4T134 T135 S140 A141 D142 Y145T134-K138 WeakPolarHBondContact O-CG 3.49Å; T134-K138 PolarHBondContact O-N 3.42Å; T135-K138 PolarHBondContact O-N 2.97Å; K138-S140 PolarHBondContact O-N 2.98Å; K138-A141 PolarHBondContact O-N 3.15Å; K138-D142 PolarHBondContact O-N 3.02Å; K138-Y145 HydrophobicContact CB-CD1 3.71Å; K138-Y145 HydrophobicContact CB-CE1 3.59Å; K138-Y145 HydrophobicContact CB-CG 4.37Å; K138-Y145 HydrophobicContact CD-CE1 4.42Å; K138-Y145 HydrophobicContact CD-CE2 4.4Å
139L88.7Confident85.3Confident44 Ų4489.2 Ų89.223%0.2349%0.487CS..Hα-helixtrans-58.5-27.6174-79.8157.5000113V131 T135 Y145 K146 H149V131-L139 HydrophobicContact CB-CD1 4.41Å; V131-L139 HydrophobicContact CG1-CD1 3.59Å; V131-L139 HydrophobicContact CG2-CD1 4.41Å; T135-L139 WeakPolarHBondContact O-CB 3.41Å; T135-L139 WeakPolarHBondContact O-CD1 3.39Å; T135-L139 WeakPolarHBondContact O-CG 3.21Å; T135-L139 PolarHBondContact O-N 3.4Å; L139-Y145 HydrophobicContact CD2-CD1 4.42Å; L139-Y145 HydrophobicContact CD2-CE1 4.47Å; L139-Y145 HydrophobicContact CG-CD1 4.23Å; L139-Y145 HydrophobicContact CG-CE1 4.03Å; L139-K146 HydrophobicContact CD2-CB 4.32Å; L139-K146 HydrophobicContact CD2-CG 4.22Å; L139-H149 HydrophobicContact CD2-CB 3.98Å
140S88.9Confident86.8Confident101 Ų10187.7 Ų87.771%0.70648%0.482SS*.Hα-helixtrans-89-34.8179.1-540000112.7S136 N137 K138S136-S140 WeakPolarHBondContact O-CB 3.16Å; S136-S140 PolarHBondContact O-N 2.93Å; S136-S140 VanDerWaalsContact O-N 3.11Å; S136-S140 PolarHBondContact O-OG 3.4Å; N137-S140 PolarHBondContact O-N 3.39Å; K138-S140 PolarHBondContact O-N 2.98Å
141A92.4Very high88.2Confident93 Ų9389.9 Ų89.977%0.76948%0.484SS*.Hα-helixtrans-89.7-35-173.800000113.5N137 K138N137-A141 VanDerWaalsContact O-CB 3.3Å; N137-A141 WeakPolarHBondContact O-CB 3.35Å; N137-A141 PolarHBondContact O-N 2.96Å; K138-A141 PolarHBondContact O-N 3.15Å
142D92.5Very high89.2Confident79 Ų7990.7 Ų90.742%0.42249%0.485SS..  trans-114.5114.2-173.6-174.8-3.5000111.3K138 M144 Y145 K146K138-D142 PolarHBondContact O-N 3.02Å; D142-M144 PolarHBondContact OD1-N 2.92Å; D142-Y145 PolarHBondContact OD1-N 3.07Å; D142-K146 PolarHBondContact O-N 3.24Å
143A93.1Very high89.9Confident81 Ų8188.5 Ų88.567%0.66948%0.478SS*.Hα-helixtrans-68.5-34.1-179.600000112.8K146 L147A143-K146 PolarHBondContact O-N 2.66Å; A143-L147 PolarHBondContact O-N 3.34Å; A143-L147 VanDerWaalsContact O-N 3.17Å
144M94.2Very high90.6Very high125 Ų12584.2 Ų84.262%0.61647%0.466SS*.Hα-helixtrans-70.3-46.6179.5-70.7-65.3-68.800110.2D142 K146 L147 E148D142-M144 PolarHBondContact OD1-N 2.92Å; M144-K146 VanDerWaalsContact C-N 3.26Å; M144-K146 PolarHBondContact O-N 3.27Å; M144-L147 WeakPolarHBondContact O-CB 3.43Å; M144-L147 PolarHBondContact O-N 2.91Å; M144-E148 PolarHBondContact O-N 3.38Å
145Y92.4Very high91.1Very high44 Ų4483.5 Ų83.517%0.17347%0.467CS..Hα-helixtrans-56.3-40.9175.5-175.6-100.3000112.3K138 L139 D142 H149K138-Y145 HydrophobicContact CB-CD1 3.71Å; K138-Y145 HydrophobicContact CB-CE1 3.59Å; K138-Y145 HydrophobicContact CB-CG 4.37Å; K138-Y145 HydrophobicContact CD-CE1 4.42Å; K138-Y145 HydrophobicContact CD-CE2 4.4Å; L139-Y145 HydrophobicContact CD2-CD1 4.42Å; L139-Y145 HydrophobicContact CD2-CE1 4.47Å; L139-Y145 HydrophobicContact CG-CD1 4.23Å; L139-Y145 HydrophobicContact CG-CE1 4.03Å; D142-Y145 PolarHBondContact OD1-N 3.07Å; Y145-H149 AromaticContact CD1-ND1 3.74Å; Y145-H149 AromaticContact CD2-CE1 3.63Å; Y145-H149 AromaticContact CD2-ND1 3.73Å; Y145-H149 AromaticContact CE1-CE1 3.48Å; Y145-H149 VanDerWaalsContact CE1-CE1 3.48Å; Y145-H149 WeakPolarHBondContact CE1-CE1 3.49Å; Y145-H149 AromaticContact CE1-CG 3.95Å; Y145-H149 AromaticContact CE1-ND1 3.55Å; Y145-H149 AromaticContact CE1-NE2 3.7Å; Y145-H149 AromaticContact CE2-CE1 3Å; Y145-H149 WeakPolarHBondContact CE2-CE1 3.14Å; Y145-H149 AromaticContact CE2-ND1 3.57Å; Y145-H149 AromaticContact CE2-NE2 3.77Å; Y145-H149 AromaticContact CG-ND1 3.83Å; Y145-H149 AromaticContact CZ-CD2 3.99Å; Y145-H149 AromaticContact CZ-CE1 2.91Å; Y145-H149 AromaticContact CZ-ND1 3.47Å; Y145-H149 AromaticContact CZ-NE2 3.2Å; Y145-H149 WeakPolarHBondContact O-CB 3.42Å; Y145-H149 PolarHBondContact O-N 2.97Å; Y145-H149 PolarHBondContact O-ND1 2.83Å; Y145-H149 PolarHBondContact OH-CE1 2.97Å; Y145-H149 PolarHBondContact OH-NE2 3.47Å
146K93.7Very high91.5Very high132 Ų13288.1 Ų88.157%0.57449%0.485SS*.Hα-helixtrans-64-39.7176.5-175.2-179.6-179.5178.20112.8L139 D142 A143 M144 G150L139-K146 HydrophobicContact CD2-CB 4.32Å; L139-K146 HydrophobicContact CD2-CG 4.22Å; D142-K146 PolarHBondContact O-N 3.24Å; A143-K146 PolarHBondContact O-N 2.66Å; M144-K146 VanDerWaalsContact C-N 3.26Å; M144-K146 PolarHBondContact O-N 3.27Å; K146-G150 PolarHBondContact O-N 2.99Å
147L93.8Very high91.8Very high100 Ų10091.2 Ų91.252%0.52450%0.497SS..Hα-helixtrans-65-51177.1-169.7156.3000110.4A143 M144 H149 G150 E151A143-L147 PolarHBondContact O-N 3.34Å; A143-L147 VanDerWaalsContact O-N 3.17Å; M144-L147 WeakPolarHBondContact O-CB 3.43Å; M144-L147 PolarHBondContact O-N 2.91Å; L147-H149 VanDerWaalsContact C-N 3.33Å; L147-H149 PolarHBondContact O-N 2.85Å; L147-G150 WeakPolarHBondContact O-CA 3.25Å; L147-G150 PolarHBondContact O-N 3.34Å; L147-G150 VanDerWaalsContact O-N 3.08Å; L147-E151 HydrophobicContact CD2-CG 4.16Å; L147-E151 PolarHBondContact O-N 3.47Å
148E92.7Very high92.1Very high103 Ų10393.9 Ų93.948%0.48150%0.504SS..Hα-helixtrans-58.8-42.9178.1-68.5176176.800112M144 G150 E151 L152M144-E148 PolarHBondContact O-N 3.38Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 2.88Å; E148-E151 PolarHBondContact O-N 3.16Å; E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 3.5Å
149H90.9Very high92.3Very high48 Ų4892.4 Ų92.422%0.22251%0.508CS..Hα-helixtrans-62.1-41.7175.3-82.657.3000111.8L139 Y145 L147 E151 L152 D153L139-H149 HydrophobicContact CD2-CB 3.98Å; Y145-H149 AromaticContact CD1-ND1 3.74Å; Y145-H149 AromaticContact CD2-CE1 3.63Å; Y145-H149 AromaticContact CD2-ND1 3.73Å; Y145-H149 AromaticContact CE1-CE1 3.48Å; Y145-H149 VanDerWaalsContact CE1-CE1 3.48Å; Y145-H149 WeakPolarHBondContact CE1-CE1 3.49Å; Y145-H149 AromaticContact CE1-CG 3.95Å; Y145-H149 AromaticContact CE1-ND1 3.55Å; Y145-H149 AromaticContact CE1-NE2 3.7Å; Y145-H149 AromaticContact CE2-CE1 3Å; Y145-H149 WeakPolarHBondContact CE2-CE1 3.14Å; Y145-H149 AromaticContact CE2-ND1 3.57Å; Y145-H149 AromaticContact CE2-NE2 3.77Å; Y145-H149 AromaticContact CG-ND1 3.83Å; Y145-H149 AromaticContact CZ-CD2 3.99Å; Y145-H149 AromaticContact CZ-CE1 2.91Å; Y145-H149 AromaticContact CZ-ND1 3.47Å; Y145-H149 AromaticContact CZ-NE2 3.2Å; Y145-H149 WeakPolarHBondContact O-CB 3.42Å; Y145-H149 PolarHBondContact O-N 2.97Å; Y145-H149 PolarHBondContact O-ND1 2.83Å; Y145-H149 PolarHBondContact OH-CE1 2.97Å; Y145-H149 PolarHBondContact OH-NE2 3.47Å; L147-H149 VanDerWaalsContact C-N 3.33Å; L147-H149 PolarHBondContact O-N 2.85Å; H149-E151 VanDerWaalsContact C-N 3.33Å; H149-E151 PolarHBondContact O-N 3.17Å; H149-L152 PolarHBondContact O-N 3.04Å; H149-D153 WeakPolarHBondContact O-CB 3.35Å; H149-D153 PolarHBondContact O-N 2.78Å
150G91.5Very high92.6Very high31 Ų3192.3 Ų92.332%0.3251%0.514SS..Hα-helixtrans-60.7-40.8175.300000112.8K146 L147 E148 D153 Q154K146-G150 PolarHBondContact O-N 2.99Å; L147-G150 WeakPolarHBondContact O-CA 3.25Å; L147-G150 PolarHBondContact O-N 3.34Å; L147-G150 VanDerWaalsContact O-N 3.08Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 2.88Å; G150-D153 PolarHBondContact O-N 3.5Å; G150-Q154 WeakPolarHBondContact O-CG 3.46Å; G150-Q154 PolarHBondContact O-N 2.89Å
151E93.6Very high92.8Very high123 Ų12389.9 Ų89.958%0.57550%0.5SS*.Hα-helixtrans-65.6-44.2175.9-69.6-172.9164.900112.2L147 E148 H149 D153 Q154 A155L147-E151 HydrophobicContact CD2-CG 4.16Å; L147-E151 PolarHBondContact O-N 3.47Å; E148-E151 PolarHBondContact O-N 3.16Å; H149-E151 VanDerWaalsContact C-N 3.33Å; H149-E151 PolarHBondContact O-N 3.17Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 2.81Å; E151-Q154 PolarHBondContact O-N 3.12Å; E151-A155 PolarHBondContact O-N 3.11Å
152L91.6Very high92.9Very high99 Ų9988.7 Ų88.752%0.51848%0.484SS..Hα-helixtrans-61.9-41.3176-70.1174.1000111.9E148 H149 A155 K156E148-L152 WeakPolarHBondContact O-CG 3.49Å; E148-L152 PolarHBondContact O-N 3.5Å; H149-L152 PolarHBondContact O-N 3.04Å; L152-A155 WeakPolarHBondContact O-CB 3.3Å; L152-A155 PolarHBondContact O-N 2.81Å; L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.49Å
153D90.3Very high92.9Very high86 Ų8689.2 Ų89.246%0.4648%0.484SS..Hα-helixtrans-69.2-36.5178.1-72-18000111.8H149 G150 E151 A155 K156 L157H149-D153 WeakPolarHBondContact O-CB 3.35Å; H149-D153 PolarHBondContact O-N 2.78Å; G150-D153 PolarHBondContact O-N 3.5Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-D153 PolarHBondContact O-N 2.81Å; D153-A155 VanDerWaalsContact C-N 3.34Å; D153-K156 PolarHBondContact O-N 3.35Å; D153-K156 IonicContact OD1-NZ 3.46Å; D153-K156 PolarHBondContact OD1-NZ 2.91Å; D153-L157 WeakPolarHBondContact O-CB 3.17Å; D153-L157 PolarHBondContact O-N 2.97Å
154Q93.4Very high92.9Very high116 Ų11690 Ų9054%0.54248%0.476SS..Hα-helixtrans-63.4-39.1169.3-75.2-174.429.400112.3G150 E151 L157 K158G150-Q154 WeakPolarHBondContact O-CG 3.46Å; G150-Q154 PolarHBondContact O-N 2.89Å; E151-Q154 PolarHBondContact O-N 3.12Å; Q154-L157 PolarHBondContact O-N 3.08Å; Q154-K158 WeakPolarHBondContact O-CG 3.47Å; Q154-K158 PolarHBondContact O-N 2.95Å
155A94Very high92.9Very high55 Ų5588.3 Ų88.346%0.45547%0.467SS..Hα-helixtrans-64.2-43.4176.800000111.7E151 L152 D153 L157 K158 S159E151-A155 PolarHBondContact O-N 3.11Å; L152-A155 WeakPolarHBondContact O-CB 3.3Å; L152-A155 PolarHBondContact O-N 2.81Å; D153-A155 VanDerWaalsContact C-N 3.34Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 2.74Å; A155-K158 PolarHBondContact O-N 3.49Å; A155-S159 PolarHBondContact O-N 2.94Å; A155-S159 PolarHBondContact O-OG 3.4Å
156K91.7Very high92.8Very high128 Ų12893 Ų9356%0.55749%0.485SS*.Hα-helixtrans-60.4-42172.4-68.6171.5-163.2155.60112L152 D153 S159 A160L152-K156 WeakPolarHBondContact O-CG 3.38Å; L152-K156 PolarHBondContact O-N 3.49Å; D153-K156 PolarHBondContact O-N 3.35Å; D153-K156 IonicContact OD1-NZ 3.46Å; D153-K156 PolarHBondContact OD1-NZ 2.91Å; K156-S159 PolarHBondContact O-N 2.93Å; K156-S159 PolarHBondContact O-OG 3.3Å; K156-A160 WeakPolarHBondContact O-CB 3.34Å; K156-A160 PolarHBondContact O-N 3.45Å
157L91.6Very high92.7Very high117 Ų11791.5 Ų91.561%0.61348%0.482SS*.Hα-helixtrans-62.2-44.5176.9-178.766.3000111.2D153 Q154 A155 S159 A160 A161D153-L157 WeakPolarHBondContact O-CB 3.17Å; D153-L157 PolarHBondContact O-N 2.97Å; Q154-L157 PolarHBondContact O-N 3.08Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 PolarHBondContact O-N 2.74Å; L157-S159 PolarHBondContact O-N 3.34Å; L157-A160 PolarHBondContact O-N 3.26Å; L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 2.99Å
158K94.6Very high92.6Very high150 Ų15092.9 Ų92.965%0.65248%0.484SS*.Hα-helixtrans-64.1-37.7178.2-74.1174.5-177.1174.90112.6Q154 A155 P162Q154-K158 WeakPolarHBondContact O-CG 3.47Å; Q154-K158 PolarHBondContact O-N 2.95Å; A155-K158 PolarHBondContact O-N 3.49Å; K158-P162 WeakPolarHBondContact O-CD 3.48Å
159S93.5Very high92.4Very high86 Ų8693.3 Ų93.360%0.60149%0.486SS*.Hα-helixtrans-72.7-34.3176.565.80000112.7A155 K156 L157 P162A155-S159 PolarHBondContact O-N 2.94Å; A155-S159 PolarHBondContact O-OG 3.4Å; K156-S159 PolarHBondContact O-N 2.93Å; K156-S159 PolarHBondContact O-OG 3.3Å; L157-S159 PolarHBondContact O-N 3.34Å; S159-P162 WeakPolarHBondContact O-CD 3.45Å; S159-P162 WeakPolarHBondContact O-CG 3.4Å
160A93.2Very high92.1Very high42 Ų4296.9 Ų96.935%0.34750%0.501SS..Hα-helixtrans-77.1-31.4177.800000113.7K156 L157 E163 L164K156-A160 WeakPolarHBondContact O-CB 3.34Å; K156-A160 PolarHBondContact O-N 3.45Å; L157-A160 PolarHBondContact O-N 3.26Å; A160-E163 PolarHBondContact O-N 2.86Å; A160-E163 VanDerWaalsContact O-N 3.15Å; A160-L164 PolarHBondContact O-N 2.88Å
161A94.4Very high91.9Very high49 Ų49102.4 Ų102.441%0.40552%0.516SS..Hα-helixtrans-51.4-49.3-17900000115.3L157 E163 L164 E165L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 2.99Å; A161-E163 VanDerWaalsContact C-N 3.3Å; A161-E163 PolarHBondContact O-N 2.99Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-E165 PolarHBondContact O-N 2.97Å
162P95.1Very high91.3Very high69 Ų69101.7 Ų101.745%0.44851%0.513SS..Hα-helixtrans-65.3-33.3178.925.5-35.4000112.6K158 S159 E165 R166K158-P162 WeakPolarHBondContact O-CD 3.48Å; S159-P162 WeakPolarHBondContact O-CD 3.45Å; S159-P162 WeakPolarHBondContact O-CG 3.4Å; P162-E165 PolarHBondContact O-N 3.19Å; P162-R166 WeakPolarHBondContact O-CG 3.49Å; P162-R166 PolarHBondContact O-N 3.4Å
163E92.1Very high90.6Very high90 Ų90104.4 Ų104.442%0.42152%0.521SS..Hα-helixtrans-70.9-41177.3-168.658.2-156.300111.3A160 A161 E165 R166 L167A160-E163 PolarHBondContact O-N 2.86Å; A160-E163 VanDerWaalsContact O-N 3.15Å; A161-E163 VanDerWaalsContact C-N 3.3Å; A161-E163 PolarHBondContact O-N 2.99Å; E163-E165 VanDerWaalsContact C-N 3.28Å; E163-E165 PolarHBondContact O-N 3.11Å; E163-R166 WeakPolarHBondContact O-CB 3.26Å; E163-R166 PolarHBondContact O-N 3.42Å; E163-R166 WeakPolarHBondContact OE2-CD 3.47Å; E163-R166 IonicContact OE2-CZ 3.39Å; E163-R166 IonicContact OE2-NH1 2.86Å; E163-R166 PolarHBondContact OE2-NH1 2.82Å; E163-L167 WeakPolarHBondContact O-CG 3.3Å; E163-L167 PolarHBondContact O-N 3.38Å
164L92.7Very high89.9Confident96 Ų96107.8 Ų107.850%0.50353%0.527SS..Hα-helixtrans-60.3-38.9171.6-73168.4000112A160 A161 L167 K168A160-L164 PolarHBondContact O-N 2.88Å; A161-L164 PolarHBondContact O-N 3.47Å; L164-L167 PolarHBondContact O-N 2.83Å; L164-K168 WeakPolarHBondContact O-CG 3.45Å; L164-K168 PolarHBondContact O-N 3.14Å
165E93.4Very high89.2Confident90 Ų90108.8 Ų108.842%0.42153%0.529SS..Hα-helixtrans-67.2-42.3176.9-170.456.8-152.900111.7A161 P162 E163 L167 K168 Q169A161-E165 PolarHBondContact O-N 2.97Å; P162-E165 PolarHBondContact O-N 3.19Å; E163-E165 VanDerWaalsContact C-N 3.28Å; E163-E165 PolarHBondContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 3.35Å; E165-K168 WeakPolarHBondContact O-CB 3.2Å; E165-K168 PolarHBondContact O-N 2.82Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 2.63Å
166R91.9Very high88.8Confident144 Ų144110.3 Ų110.354%0.54353%0.53SS..Hα-helixtrans-57.6-47.1171.4-72.4169.6-179.7172.2-2.1111.5P162 E163 K168 Q169 F170P162-R166 WeakPolarHBondContact O-CG 3.49Å; P162-R166 PolarHBondContact O-N 3.4Å; E163-R166 WeakPolarHBondContact O-CB 3.26Å; E163-R166 PolarHBondContact O-N 3.42Å; E163-R166 WeakPolarHBondContact OE2-CD 3.47Å; E163-R166 IonicContact OE2-CZ 3.39Å; E163-R166 IonicContact OE2-NH1 2.86Å; E163-R166 PolarHBondContact OE2-NH1 2.82Å; R166-K168 VanDerWaalsContact C-N 3.32Å; R166-K168 PolarHBondContact O-N 2.99Å; R166-Q169 WeakPolarHBondContact O-CB 3.31Å; R166-Q169 PolarHBondContact O-N 3.39Å; R166-Q169 VanDerWaalsContact O-N 3.16Å; R166-F170 WeakPolarHBondContact O-CD2 3.5Å; R166-F170 PolarHBondContact O-N 3.02Å
167L90.9Very high88.5Confident100 Ų100109.5 Ų109.552%0.52453%0.532SS..Hα-helixtrans-60.7-40177.4-72.1171.6000112.1E163 L164 E165 F170 K171E163-L167 WeakPolarHBondContact O-CG 3.3Å; E163-L167 PolarHBondContact O-N 3.38Å; L164-L167 PolarHBondContact O-N 2.83Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 3.35Å; L167-F170 PolarHBondContact O-N 2.92Å; L167-K171 PolarHBondContact O-N 3.15Å
168K91.2Very high88.4Confident128 Ų128111.1 Ų111.156%0.55753%0.534SS*.Hα-helixtrans-61.4-45.5172.6-76.4177.7-177.3175.50111.7L164 E165 R166 F170 K171 E172L164-K168 WeakPolarHBondContact O-CG 3.45Å; L164-K168 PolarHBondContact O-N 3.14Å; E165-K168 WeakPolarHBondContact O-CB 3.2Å; E165-K168 PolarHBondContact O-N 2.82Å; R166-K168 VanDerWaalsContact C-N 3.32Å; R166-K168 PolarHBondContact O-N 2.99Å; K168-F170 VanDerWaalsContact C-N 3.3Å; K168-F170 PolarHBondContact O-N 2.88Å; K168-K171 WeakPolarHBondContact O-CB 3.28Å; K168-K171 PolarHBondContact O-N 3.13Å; K168-K171 VanDerWaalsContact O-N 3.09Å; K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 3.3Å
169Q89Confident88Confident113 Ų113105.9 Ų105.953%0.52852%0.519SS..Hα-helixtrans-61-38.1177-69.3173.18.900112.4E165 R166 E172 K173E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 2.63Å; R166-Q169 WeakPolarHBondContact O-CB 3.31Å; R166-Q169 PolarHBondContact O-N 3.39Å; R166-Q169 VanDerWaalsContact O-N 3.16Å; Q169-E172 PolarHBondContact O-N 3.31Å; Q169-K173 PolarHBondContact O-N 2.86Å
170F85.3Confident87.7Confident122 Ų122104.9 Ų104.954%0.53551%0.506SS..Hα-helixtrans-64.4-42.8171.6-81.7-72000112.1R166 L167 K168 E172 K173 W174R166-F170 WeakPolarHBondContact O-CD2 3.5Å; R166-F170 PolarHBondContact O-N 3.02Å; L167-F170 PolarHBondContact O-N 2.92Å; K168-F170 VanDerWaalsContact C-N 3.3Å; K168-F170 PolarHBondContact O-N 2.88Å; F170-E172 VanDerWaalsContact C-N 3.31Å; F170-E172 PolarHBondContact O-N 3.46Å; F170-K173 WeakPolarHBondContact O-CB 3.01Å; F170-K173 PolarHBondContact O-N 3.31Å; F170-K173 VanDerWaalsContact O-N 3.17Å; F170-W174 PolarHBondContact O-N 3.43Å
171K85.6Confident87.6Confident148 Ų148106.4 Ų106.464%0.64351%0.509SS*.Hα-helixtrans-62.3-36.9176.9-173.3-179.3178.1-179.30112.5L167 K168 K173 W174 K175L167-K171 PolarHBondContact O-N 3.15Å; K168-K171 WeakPolarHBondContact O-CB 3.28Å; K168-K171 PolarHBondContact O-N 3.13Å; K168-K171 VanDerWaalsContact O-N 3.09Å; K171-K173 VanDerWaalsContact C-N 3.29Å; K171-K173 PolarHBondContact O-N 2.97Å; K171-W174 WeakPolarHBondContact O-CB 3.44Å; K171-W174 PolarHBondContact O-N 2.95Å; K171-K175 PolarHBondContact O-N 3.46Å
172E82.9Confident87.4Confident107 Ų107109.6 Ų109.650%0.552%0.515SS..Hα-helixtrans-59.6-39.4174.7-72.6-64.913600111.8K168 Q169 F170 W174 K175K168-E172 WeakPolarHBondContact O-CG 3.36Å; K168-E172 PolarHBondContact O-N 3.3Å; Q169-E172 PolarHBondContact O-N 3.31Å; F170-E172 VanDerWaalsContact C-N 3.31Å; F170-E172 PolarHBondContact O-N 3.46Å; E172-W174 PolarHBondContact O-N 3.31Å; E172-K175 VanDerWaalsContact CD-CE 3.41Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.92Å; E172-K175 WeakPolarHBondContact OE1-CE 3.46Å; E172-K175 IonicContact OE1-NZ 3.23Å; E172-K175 PolarHBondContact OE1-NZ 2.89Å; E172-K175 WeakPolarHBondContact OE2-CD 3.07Å; E172-K175 WeakPolarHBondContact OE2-CE 3.34Å; E172-K175 IonicContact OE2-NZ 2.71Å; E172-K175 PolarHBondContact OE2-NZ 3.24Å
173K75.4Confident87.2Confident156 Ų156111.6 Ų111.668%0.67852%0.519SS*.Hα-helixtrans-64.3-28.5174-65179.6179.1178.80112.9Q169 F170 K171 K175Q169-K173 PolarHBondContact O-N 2.86Å; F170-K173 WeakPolarHBondContact O-CB 3.01Å; F170-K173 PolarHBondContact O-N 3.31Å; F170-K173 VanDerWaalsContact O-N 3.17Å; K171-K173 VanDerWaalsContact C-N 3.29Å; K171-K173 PolarHBondContact O-N 2.97Å; K173-K175 VanDerWaalsContact C-N 3.28Å; K173-K175 PolarHBondContact O-N 3.23Å
174W77.1Confident87.2Confident158 Ų158111.3 Ų111.360%0.59852%0.52SS*.THydrogen-bonded Turntrans-82-1.4179.1-66.32.6000113.6F170 K171 E172 D176 L180F170-W174 PolarHBondContact O-N 3.43Å; K171-W174 WeakPolarHBondContact O-CB 3.44Å; K171-W174 PolarHBondContact O-N 2.95Å; E172-W174 PolarHBondContact O-N 3.31Å; W174-D176 PolarHBondContact O-N 3.21Å; W174-L180 HydrophobicContact CG-CD2 4.34Å
175K78.6Confident87.2Confident136 Ų136114.1 Ų114.159%0.59152%0.523SS*.THydrogen-bonded Turntrans-65.8-26.7174-71.6-177.6174.3172.50113.1K171 E172 K173 D177K171-K175 PolarHBondContact O-N 3.46Å; E172-K175 VanDerWaalsContact CD-CE 3.41Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 2.92Å; E172-K175 WeakPolarHBondContact OE1-CE 3.46Å; E172-K175 IonicContact OE1-NZ 3.23Å; E172-K175 PolarHBondContact OE1-NZ 2.89Å; E172-K175 WeakPolarHBondContact OE2-CD 3.07Å; E172-K175 WeakPolarHBondContact OE2-CE 3.34Å; E172-K175 IonicContact OE2-NZ 2.71Å; E172-K175 PolarHBondContact OE2-NZ 3.24Å; K173-K175 VanDerWaalsContact C-N 3.28Å; K173-K175 PolarHBondContact O-N 3.23Å; K175-D177 PolarHBondContact O-N 3.06Å
176D84.9Confident87.3Confident88 Ų88117.3 Ų117.347%0.47153%0.532SS..  trans-8681.3173.4-170.7-7.9000110.2W174 F178 A179 L180W174-D176 PolarHBondContact O-N 3.21Å; D176-F178 PolarHBondContact O-N 2.86Å; D176-F178 VanDerWaalsContact O-N 3.17Å; D176-F178 PolarHBondContact OD1-N 3.05Å; D176-A179 HydrophobicContact CB-CB 4.16Å; D176-A179 PolarHBondContact O-N 3.45Å; D176-A179 PolarHBondContact OD1-N 2.72Å; D176-A179 VanDerWaalsContact OD1-N 3.11Å; D176-A179 VanDerWaalsContact OD2-CB 3.32Å; D176-A179 WeakPolarHBondContact OD2-CB 3.46Å; D176-L180 PolarHBondContact O-N 3.36Å; D176-L180 VanDerWaalsContact O-N 3.16Å
177D85.8Confident87.5Confident110 Ų110112.7 Ų112.759%0.58852%0.524SS*.Hα-helixtrans-54-32.9177.3-69.9-26.5000111.9K175 N181K175-D177 PolarHBondContact O-N 3.06Å; D177-N181 WeakPolarHBondContact O-CB 3.28Å; D177-N181 PolarHBondContact O-N 3.12Å; D177-N181 PolarHBondContact O-ND2 3.25Å
178F88.2Confident87.7Confident151 Ų151114 Ų11466%0.66253%0.526SS*.Hα-helixtrans-71-49.7-177.8179.8-93.5000111.3D176 L180 N181 Q182D176-F178 PolarHBondContact O-N 2.86Å; D176-F178 VanDerWaalsContact O-N 3.17Å; D176-F178 PolarHBondContact OD1-N 3.05Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 3.42Å; F178-N181 PolarHBondContact O-N 2.89Å; F178-Q182 VanDerWaalsContact O-CB 3.32Å; F178-Q182 WeakPolarHBondContact O-CB 3.31Å; F178-Q182 PolarHBondContact O-N 3.14Å
179A87.8Confident87.9Confident40 Ų40116.1 Ų116.133%0.33153%0.531SS..Hα-helixtrans-61-43.3178.500000111.8D176 Q182 E183D176-A179 HydrophobicContact CB-CB 4.16Å; D176-A179 PolarHBondContact O-N 3.45Å; D176-A179 PolarHBondContact OD1-N 2.72Å; D176-A179 VanDerWaalsContact OD1-N 3.11Å; D176-A179 VanDerWaalsContact OD2-CB 3.32Å; D176-A179 WeakPolarHBondContact OD2-CB 3.46Å; A179-Q182 WeakPolarHBondContact O-CB 3.36Å; A179-Q182 PolarHBondContact O-N 2.86Å; A179-E183 PolarHBondContact O-N 2.99Å
180L86.5Confident88.2Confident65 Ų65114.2 Ų114.234%0.3453%0.526SS..Hα-helixtrans-62.5-46.1177.5-172.968.9000111.5W174 D176 F178 Q182 E183 L184W174-L180 HydrophobicContact CG-CD2 4.34Å; D176-L180 PolarHBondContact O-N 3.36Å; D176-L180 VanDerWaalsContact O-N 3.16Å; F178-L180 VanDerWaalsContact C-N 3.35Å; F178-L180 PolarHBondContact O-N 3.42Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-Q182 PolarHBondContact O-N 3.03Å; L180-E183 PolarHBondContact O-N 2.8Å; L180-L184 VanDerWaalsContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.1Å
181N90.1Very high88.6Confident74 Ų74114.3 Ų114.340%0.39653%0.526SS..Hα-helixtrans-64.9-36.1176.2-80-48.1000112.3D177 F178 R185D177-N181 WeakPolarHBondContact O-CB 3.28Å; D177-N181 PolarHBondContact O-N 3.12Å; D177-N181 PolarHBondContact O-ND2 3.25Å; F178-N181 PolarHBondContact O-N 2.89Å; N181-R185 VanDerWaalsContact O-CB 3.28Å; N181-R185 WeakPolarHBondContact O-CB 3.39Å; N181-R185 WeakPolarHBondContact O-CG 3.41Å; N181-R185 PolarHBondContact O-N 3.15Å
182Q91.8Very high89.1Confident117 Ų117114.9 Ų114.955%0.54753%0.529SS..Hα-helixtrans-64.3-46.4176.2-175.3-175.122.900111.2F178 A179 L180 R185 R186F178-Q182 VanDerWaalsContact O-CB 3.32Å; F178-Q182 WeakPolarHBondContact O-CB 3.31Å; F178-Q182 PolarHBondContact O-N 3.14Å; A179-Q182 WeakPolarHBondContact O-CB 3.36Å; A179-Q182 PolarHBondContact O-N 2.86Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-Q182 PolarHBondContact O-N 3.03Å; Q182-R185 PolarHBondContact O-N 3.15Å; Q182-R186 WeakPolarHBondContact O-CB 3.07Å; Q182-R186 PolarHBondContact O-N 3.47Å
183E90.6Very high89.7Confident110 Ų110117.4 Ų117.451%0.51454%0.538SS..Hα-helixtrans-62.2-46.9176.5176.7158.9-132.500111.7A179 L180 R185 R186 A187A179-E183 PolarHBondContact O-N 2.99Å; L180-E183 PolarHBondContact O-N 2.8Å; E183-R185 PolarHBondContact O-N 2.84Å; E183-R186 WeakPolarHBondContact O-CB 3.45Å; E183-R186 PolarHBondContact O-N 3.34Å; E183-R186 VanDerWaalsContact O-N 3.14Å; E183-R186 IonicContact OE1-NH2 3.69Å; E183-R186 PolarHBondContact OE1-NH2 3.46Å; E183-A187 PolarHBondContact O-N 3.47Å
184L92Very high90.5Very high84 Ų84115 Ų11544%0.4453%0.53SS..Hα-helixtrans-57.9-47.4175.7179.4142.5000111L180 R186 A187 F188L180-L184 VanDerWaalsContact O-CB 3.3Å; L180-L184 WeakPolarHBondContact O-CB 3.45Å; L180-L184 PolarHBondContact O-N 3.1Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 2.97Å; L184-A187 PolarHBondContact O-N 2.85Å; L184-F188 HydrophobicContact CD1-CE2 4.07Å; L184-F188 HydrophobicContact CD2-CD2 3.47Å; L184-F188 VanDerWaalsContact CD2-CD2 3.47Å; L184-F188 HydrophobicContact CD2-CE2 3.45Å; L184-F188 VanDerWaalsContact CD2-CE2 3.45Å; L184-F188 HydrophobicContact CG-CD2 3.71Å; L184-F188 HydrophobicContact CG-CE2 3.5Å; L184-F188 WeakPolarHBondContact O-CD2 3.49Å; L184-F188 PolarHBondContact O-N 3.49Å
185R93.1Very high91.2Very high155 Ų155111.7 Ų111.759%0.58552%0.523SS*.Hα-helixtrans-62.4-38.4175.7-74.3171.6-172-154.43.5112.1N181 Q182 E183 F188 R189N181-R185 VanDerWaalsContact O-CB 3.28Å; N181-R185 WeakPolarHBondContact O-CB 3.39Å; N181-R185 WeakPolarHBondContact O-CG 3.41Å; N181-R185 PolarHBondContact O-N 3.15Å; Q182-R185 PolarHBondContact O-N 3.15Å; E183-R185 PolarHBondContact O-N 2.84Å; R185-F188 PolarHBondContact O-N 3.06Å; R185-R189 WeakPolarHBondContact O-CB 3.34Å; R185-R189 WeakPolarHBondContact O-CG 3.05Å; R185-R189 PolarHBondContact O-N 3.28Å
186R94.9Very high91.9Very high158 Ų158111.1 Ų111.160%0.59652%0.52SS*.Hα-helixtrans-61.5-49.3175.9-178.6-179.465.1178.5-2110.5Q182 E183 L184 F188 R189 V190Q182-R186 WeakPolarHBondContact O-CB 3.07Å; Q182-R186 PolarHBondContact O-N 3.47Å; E183-R186 WeakPolarHBondContact O-CB 3.45Å; E183-R186 PolarHBondContact O-N 3.34Å; E183-R186 VanDerWaalsContact O-N 3.14Å; E183-R186 IonicContact OE1-NH2 3.69Å; E183-R186 PolarHBondContact OE1-NH2 3.46Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 2.97Å; R186-F188 PolarHBondContact O-N 3Å; R186-R189 PolarHBondContact O-N 3.46Å; R186-V190 PolarHBondContact O-N 3.38Å; R186-V190 VanDerWaalsContact O-N 3.15Å
187A95.3Very high92.3Very high47 Ų47109.6 Ų109.639%0.38852%0.519SS..Hα-helixtrans-60.5-44.6176.900000111.9E183 L184 R189 V190 K191E183-A187 PolarHBondContact O-N 3.47Å; L184-A187 PolarHBondContact O-N 2.85Å; A187-R189 VanDerWaalsContact C-N 3.35Å; A187-R189 PolarHBondContact O-N 3.08Å; A187-V190 PolarHBondContact O-N 2.94Å; A187-K191 WeakPolarHBondContact O-CG 3.43Å; A187-K191 PolarHBondContact O-N 3.27Å
188F95.1Very high92.5Very high126 Ų126109.1 Ų109.155%0.55351%0.514SS*.Hα-helixtrans-65-34.4176.3-81.6-61.9000113.4L184 R185 R186 K192L184-F188 HydrophobicContact CD1-CE2 4.07Å; L184-F188 HydrophobicContact CD2-CD2 3.47Å; L184-F188 VanDerWaalsContact CD2-CD2 3.47Å; L184-F188 HydrophobicContact CD2-CE2 3.45Å; L184-F188 VanDerWaalsContact CD2-CE2 3.45Å; L184-F188 HydrophobicContact CG-CD2 3.71Å; L184-F188 HydrophobicContact CG-CE2 3.5Å; L184-F188 WeakPolarHBondContact O-CD2 3.49Å; L184-F188 PolarHBondContact O-N 3.49Å; R185-F188 PolarHBondContact O-N 3.06Å; R186-F188 PolarHBondContact O-N 3Å; F188-K192 WeakPolarHBondContact O-CB 3.48Å; F188-K192 PolarHBondContact O-N 2.98Å
189R95.1Very high92.5Very high174 Ų174108.2 Ų108.266%0.65751%0.51SS*.Hα-helixtrans-65.2-42175.3-76.4170.1-174.4-168.12.2111.7R185 R186 A187 K193R185-R189 WeakPolarHBondContact O-CB 3.34Å; R185-R189 WeakPolarHBondContact O-CG 3.05Å; R185-R189 PolarHBondContact O-N 3.28Å; R186-R189 PolarHBondContact O-N 3.46Å; A187-R189 VanDerWaalsContact C-N 3.35Å; A187-R189 PolarHBondContact O-N 3.08Å; R189-K193 WeakPolarHBondContact O-CG 3.38Å; R189-K193 PolarHBondContact O-N 3.01Å; R189-K193 VanDerWaalsContact O-N 3.08Å
190V95.9Very high92.7Very high73 Ų73111.6 Ų111.644%0.44252%0.519SS..Hα-helixtrans-64.1-54.2175.9176.10000109.8R186 A187 K192 K193 E194R186-V190 PolarHBondContact O-N 3.38Å; R186-V190 VanDerWaalsContact O-N 3.15Å; A187-V190 PolarHBondContact O-N 2.94Å; V190-K192 VanDerWaalsContact C-N 3.29Å; V190-K192 PolarHBondContact O-N 3.21Å; V190-K193 WeakPolarHBondContact O-CB 3.37Å; V190-K193 PolarHBondContact O-N 2.9Å; V190-E194 PolarHBondContact O-N 2.78Å
191K94.5Very high92.9Very high123 Ų123111 Ų11154%0.53552%0.523SS..Hα-helixtrans-56.7-40.5177.1-71.5-176.1176.5-175.60112.7A187 K193 E194 I195A187-K191 WeakPolarHBondContact O-CG 3.43Å; A187-K191 PolarHBondContact O-N 3.27Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.42Å; K191-E194 PolarHBondContact O-N 2.94Å; K191-I195 WeakPolarHBondContact O-CB 3.27Å; K191-I195 WeakPolarHBondContact O-CD1 3.42Å; K191-I195 WeakPolarHBondContact O-CG1 3.37Å; K191-I195 PolarHBondContact O-N 3.04Å
192K94.6Very high92.9Very high161 Ų161109.9 Ų109.970%0.752%0.517SS*.Hα-helixtrans-64.3-37.8176.9-177.3176.3-179.1177.60111.9F188 V190 K196F188-K192 WeakPolarHBondContact O-CB 3.48Å; F188-K192 PolarHBondContact O-N 2.98Å; V190-K192 VanDerWaalsContact C-N 3.29Å; V190-K192 PolarHBondContact O-N 3.21Å; K192-K196 WeakPolarHBondContact O-CB 3Å; K192-K196 PolarHBondContact O-N 2.86Å
193K95.6Very high92.8Very high160 Ų160108.4 Ų108.470%0.69651%0.513SS*.Hα-helixtrans-65.7-45.3174.4-74.6176.9179.1-172.70111R189 V190 K191 K196 A197R189-K193 WeakPolarHBondContact O-CG 3.38Å; R189-K193 PolarHBondContact O-N 3.01Å; R189-K193 VanDerWaalsContact O-N 3.08Å; V190-K193 WeakPolarHBondContact O-CB 3.37Å; V190-K193 PolarHBondContact O-N 2.9Å; K191-K193 VanDerWaalsContact C-N 3.34Å; K191-K193 PolarHBondContact O-N 3.42Å; K193-K196 PolarHBondContact O-N 3.05Å; K193-A197 WeakPolarHBondContact O-CB 3.48Å; K193-A197 PolarHBondContact O-N 3.06Å
194E93.3Very high92.8Very high106 Ų106105.3 Ų105.350%0.49551%0.506SS..Hα-helixtrans-60.7-50.2176.6-68.8167.4174.500111.6V190 K191 K196 A197 Q198V190-E194 PolarHBondContact O-N 2.78Å; K191-E194 PolarHBondContact O-N 2.94Å; E194-K196 VanDerWaalsContact C-N 3.3Å; E194-K196 PolarHBondContact O-N 2.83Å; E194-A197 PolarHBondContact O-N 3.36Å; E194-Q198 WeakPolarHBondContact O-CB 3.14Å; E194-Q198 WeakPolarHBondContact O-CG 3.36Å; E194-Q198 PolarHBondContact O-N 3.05Å
195I91.2Very high92.6Very high87 Ų87104.4 Ų104.445%0.44650%0.501SS..Hα-helixtrans-60.7-39.9177.3-68164.7000111K191 K199K191-I195 WeakPolarHBondContact O-CB 3.27Å; K191-I195 WeakPolarHBondContact O-CD1 3.42Å; K191-I195 WeakPolarHBondContact O-CG1 3.37Å; K191-I195 PolarHBondContact O-N 3.04Å; I195-K199 HydrophobicContact CG2-CD 4.26Å; I195-K199 WeakPolarHBondContact O-CB 3.46Å; I195-K199 VanDerWaalsContact O-CG 3.29Å; I195-K199 WeakPolarHBondContact O-CG 3.24Å; I195-K199 PolarHBondContact O-N 3.3Å
196K93.4Very high92.4Very high125 Ų125100 Ų10054%0.54349%0.485SS..Hα-helixtrans-66.6-44.4177.3-177.5176.8168.6-179.40111.3K192 K193 E194 K199 E200K192-K196 WeakPolarHBondContact O-CB 3Å; K192-K196 PolarHBondContact O-N 2.86Å; K193-K196 PolarHBondContact O-N 3.05Å; E194-K196 VanDerWaalsContact C-N 3.3Å; E194-K196 PolarHBondContact O-N 2.83Å; K196-K199 PolarHBondContact O-N 3.05Å; K196-E200 WeakPolarHBondContact CE-OE1 3.42Å; K196-E200 IonicContact NZ-OE1 3.87Å; K196-E200 WeakPolarHBondContact O-CB 3.47Å; K196-E200 WeakPolarHBondContact O-CG 3.18Å; K196-E200 PolarHBondContact O-N 2.82Å
197A93.2Very high92.2Very high55 Ų55100.6 Ų100.646%0.45549%0.492SS..Hα-helixtrans-63.8-41.4177.500000112K193 E194 E200 A201K193-A197 WeakPolarHBondContact O-CB 3.48Å; K193-A197 PolarHBondContact O-N 3.06Å; E194-A197 PolarHBondContact O-N 3.36Å; A197-E200 PolarHBondContact O-N 3.04Å; A197-A201 WeakPolarHBondContact O-CB 3.48Å; A197-A201 PolarHBondContact O-N 3.19Å
198Q89.7Confident92Very high100 Ų100106.3 Ų106.347%0.46751%0.508SS..Hα-helixtrans-61-49.5173-75.4177.1-13.500111.1E194 E200 A201 D202E194-Q198 WeakPolarHBondContact O-CB 3.14Å; E194-Q198 WeakPolarHBondContact O-CG 3.36Å; E194-Q198 PolarHBondContact O-N 3.05Å; Q198-E200 VanDerWaalsContact C-N 3.33Å; Q198-E200 PolarHBondContact O-N 3.15Å; Q198-A201 PolarHBondContact O-N 2.85Å; Q198-A201 VanDerWaalsContact O-N 3.16Å; Q198-D202 WeakPolarHBondContact O-CB 3.38Å; Q198-D202 PolarHBondContact O-N 3.08Å
199K89.6Confident91.8Very high133 Ų133107 Ų10758%0.57851%0.51SS*.Hα-helixtrans-58.8-41.4176.4-76.7-177.8177.2-167.70113.2I195 K196 D202 D203I195-K199 HydrophobicContact CG2-CD 4.26Å; I195-K199 WeakPolarHBondContact O-CB 3.46Å; I195-K199 VanDerWaalsContact O-CG 3.29Å; I195-K199 WeakPolarHBondContact O-CG 3.24Å; I195-K199 PolarHBondContact O-N 3.3Å; K196-K199 PolarHBondContact O-N 3.05Å; K199-D202 PolarHBondContact O-N 3.43Å; K199-D203 VanDerWaalsContact O-CB 3.27Å; K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.44Å
200E91.9Very high91.4Very high111 Ų111104.1 Ų104.152%0.51952%0.517SS..Hα-helixtrans-65.2-39.1177.1-75173.5176.700112K196 A197 Q198 A204K196-E200 WeakPolarHBondContact CE-OE1 3.42Å; K196-E200 IonicContact NZ-OE1 3.87Å; K196-E200 WeakPolarHBondContact O-CB 3.47Å; K196-E200 WeakPolarHBondContact O-CG 3.18Å; K196-E200 PolarHBondContact O-N 2.82Å; A197-E200 PolarHBondContact O-N 3.04Å; Q198-E200 VanDerWaalsContact C-N 3.33Å; Q198-E200 PolarHBondContact O-N 3.15Å; E200-A204 WeakPolarHBondContact O-CB 3.39Å; E200-A204 PolarHBondContact O-N 2.88Å
201A89.8Confident91Very high52 Ų52104.3 Ų104.343%0.4352%0.515SS..Hα-helixtrans-66.6-43.9173.900000112A197 Q198 A204 L205A197-A201 WeakPolarHBondContact O-CB 3.48Å; A197-A201 PolarHBondContact O-N 3.19Å; Q198-A201 PolarHBondContact O-N 2.85Å; Q198-A201 VanDerWaalsContact O-N 3.16Å; A201-A204 PolarHBondContact O-N 2.84Å; A201-L205 WeakPolarHBondContact O-CG 3.35Å; A201-L205 PolarHBondContact O-N 3.28Å
202D90.1Very high90.5Very high51 Ų51105.3 Ų105.327%0.27353%0.527SS..Hα-helixtrans-63.9-45.1177.7-69.3-14.8000111.4Q198 K199 A204 L205 R206 L215Q198-D202 WeakPolarHBondContact O-CB 3.38Å; Q198-D202 PolarHBondContact O-N 3.08Å; K199-D202 PolarHBondContact O-N 3.43Å; D202-A204 VanDerWaalsContact C-N 3.31Å; D202-A204 PolarHBondContact O-N 3.01Å; D202-L205 PolarHBondContact O-N 3.49Å; D202-R206 WeakPolarHBondContact O-CB 3.49Å; D202-R206 WeakPolarHBondContact O-CG 3.46Å; D202-R206 PolarHBondContact O-N 2.98Å; D202-L215 HydrophobicContact CB-CD1 3.9Å
203D88.8Confident90.1Very high86 Ų86103.1 Ų103.146%0.4652%0.521SS..Hα-helixtrans-64-36.8176.5-75.4-18.8000111.4K199 K207K199-D203 VanDerWaalsContact O-CB 3.27Å; K199-D203 WeakPolarHBondContact O-CB 3.48Å; K199-D203 PolarHBondContact O-N 3.44Å; D203-K207 WeakPolarHBondContact O-CB 3.35Å; D203-K207 VanDerWaalsContact O-CG 3.27Å; D203-K207 WeakPolarHBondContact O-CG 3.4Å; D203-K207 PolarHBondContact O-N 2.98Å
204A91.1Very high89.6Confident45 Ų45100.4 Ų100.437%0.37252%0.52SS..Hα-helixtrans-66.6-40.1174.500000112E200 A201 D202 K208E200-A204 WeakPolarHBondContact O-CB 3.39Å; E200-A204 PolarHBondContact O-N 2.88Å; A201-A204 PolarHBondContact O-N 2.84Å; D202-A204 VanDerWaalsContact C-N 3.31Å; D202-A204 PolarHBondContact O-N 3.01Å; A204-K208 VanDerWaalsContact O-CG 3.3Å; A204-K208 WeakPolarHBondContact O-CG 3.38Å; A204-K208 PolarHBondContact O-N 3.44Å
205L88.8Confident89.2Confident64 Ų6498.5 Ų98.534%0.33551%0.513SS..Hα-helixtrans-66.1-46.6174-75.1166.3000111.5A201 D202 K207 K208 F209 L215A201-L205 WeakPolarHBondContact O-CG 3.35Å; A201-L205 PolarHBondContact O-N 3.28Å; D202-L205 PolarHBondContact O-N 3.49Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 2.9Å; L205-K208 PolarHBondContact O-N 3.23Å; L205-K208 VanDerWaalsContact O-N 3.15Å; L205-F209 HydrophobicContact CD2-CD2 4.32Å; L205-F209 HydrophobicContact CD2-CE2 3.82Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 2.83Å; L205-L215 HydrophobicContact CB-CD1 4.14Å
206R89.2Confident89Confident64 Ų64100 Ų10024%0.24253%0.527CS..Hα-helixtrans-57.5-41.4176.3-74.3-179.670.5152.8-1.8112.1D202 S210 L211 D212 I213 L215D202-R206 WeakPolarHBondContact O-CB 3.49Å; D202-R206 WeakPolarHBondContact O-CG 3.46Å; D202-R206 PolarHBondContact O-N 2.98Å; R206-S210 VanDerWaalsContact O-CA 3.27Å; R206-S210 WeakPolarHBondContact O-CA 3.22Å; R206-S210 PolarHBondContact O-N 3.19Å; R206-L211 PolarHBondContact NE-O 3.11Å; R206-L211 VanDerWaalsContact NE-O 3.11Å; R206-L211 PolarHBondContact O-N 2.98Å; R206-D212 PolarHBondContact NH2-O 3.26Å; R206-D212 IonicContact NH2-OD1 2.63Å; R206-D212 PolarHBondContact NH2-OD1 3.19Å; R206-I213 PolarHBondContact NH1-O 3.18Å; R206-L215 HydrophobicContact CG-CD1 3.84Å; R206-L215 HydrophobicContact CG-CG 4.1Å
207K90Very high88.5Confident170 Ų17099.4 Ų99.474%0.73953%0.533SS*.Hα-helixtrans-67.1-41.4175.2-74.6174.2-175.4176.10112.9D203 L205D203-K207 WeakPolarHBondContact O-CB 3.35Å; D203-K207 VanDerWaalsContact O-CG 3.27Å; D203-K207 WeakPolarHBondContact O-CG 3.4Å; D203-K207 PolarHBondContact O-N 2.98Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 2.9Å
208K92Very high88.1Confident167 Ų167104.3 Ų104.373%0.72655%0.546SS*.Hα-helixtrans-64.6-38.6177.9-77.1178.1-178.8-175.90112.6A204 L205A204-K208 VanDerWaalsContact O-CG 3.3Å; A204-K208 WeakPolarHBondContact O-CG 3.38Å; A204-K208 PolarHBondContact O-N 3.44Å; L205-K208 PolarHBondContact O-N 3.23Å; L205-K208 VanDerWaalsContact O-N 3.15Å
209F89.7Confident88.1Confident139 Ų139101.4 Ų101.461%0.6154%0.537SS*.Hα-helixtrans-101.52-176.1-65.8-70.7000114.3L205 L211L205-F209 HydrophobicContact CD2-CD2 4.32Å; L205-F209 HydrophobicContact CD2-CE2 3.82Å; L205-F209 VanDerWaalsContact O-CD2 3.29Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 2.83Å; F209-L211 VanDerWaalsContact C-N 3.28Å; F209-L211 HydrophobicContact CB-CD1 3.74Å; F209-L211 HydrophobicContact CB-CG 3.71Å; F209-L211 PolarHBondContact O-N 2.78Å
210S87.6Confident88.1Confident115 Ų115101 Ų10180%0.80454%0.538SS*.THydrogen-bonded Turntrans51.942.3-176.1-57.20000113.7R206R206-S210 VanDerWaalsContact O-CA 3.27Å; R206-S210 WeakPolarHBondContact O-CA 3.22Å; R206-S210 PolarHBondContact O-N 3.19Å
211L86.1Confident88Confident76 Ų76100 Ų10040%0.39854%0.539SS..  trans-95129.7-177-62.5172000111.6R206 F209R206-L211 PolarHBondContact NE-O 3.11Å; R206-L211 VanDerWaalsContact NE-O 3.11Å; R206-L211 PolarHBondContact O-N 2.98Å; F209-L211 VanDerWaalsContact C-N 3.28Å; F209-L211 HydrophobicContact CB-CD1 3.74Å; F209-L211 HydrophobicContact CB-CG 3.71Å; F209-L211 PolarHBondContact O-N 2.78Å
212D85.4Confident88Confident145 Ų145101.7 Ų101.778%0.77554%0.541SS*.  trans-100.518.9174.9-156.118000114.2R206R206-D212 PolarHBondContact NH2-O 3.26Å; R206-D212 IonicContact NH2-OD1 2.63Å; R206-D212 PolarHBondContact NH2-OD1 3.19Å
213I86.6Confident87.9Confident114 Ų114107.6 Ų107.659%0.58556%0.559SS**SBendtrans-103.1140.5-176-55.1173.2000109.1R206 L215R206-I213 PolarHBondContact NH1-O 3.18Å; I213-L215 PolarHBondContact O-N 2.82Å
214P83.8Confident88Confident103 Ų103108.3 Ų108.367%0.66956%0.558SS**PPolyproline II helixtrans-61.5124.8170.825.6-34.2000110.7
215L85.3Confident88Confident66 Ų66111 Ų11135%0.34657%0.566SS.*PPolyproline II helixtrans-77.4136.6175.6-64.5177.7000109.8D202 L205 R206 I213D202-L215 HydrophobicContact CB-CD1 3.9Å; L205-L215 HydrophobicContact CB-CD1 4.14Å; R206-L215 HydrophobicContact CG-CD1 3.84Å; R206-L215 HydrophobicContact CG-CG 4.1Å; I213-L215 PolarHBondContact O-N 2.82Å
216T86.4Confident88Confident120 Ų120110.7 Ų110.774%0.73657%0.573SS**PPolyproline II helixtrans-87154.4172.850.60000110.1E218T216-E218 PolarHBondContact O-N 3.2Å
217V84.7Confident88Confident112 Ų112110.3 Ų110.368%0.67958%0.58SS**PPolyproline II helixtrans-59.9134.1175-1760000109.7S219V217-S219 PolarHBondContact O-N 3.49Å
218E83.7Confident88Confident157 Ų157107.7 Ų107.773%0.73457%0.571SS**PPolyproline II helixtrans-59123.3177-64.2-174.4167.400110.7T216T216-E218 PolarHBondContact O-N 3.2Å
219S89.2Confident87.9Confident39 Ų39104.1 Ų104.127%0.27356%0.559SS.*PPolyproline II helixtrans-90.7149.1170.380.20000110.7V217 T221 D222 R223V217-S219 PolarHBondContact O-N 3.49Å; S219-T221 PolarHBondContact O-N 3.28Å; S219-T221 PolarHBondContact OG-OG1 2.99Å; S219-D222 WeakPolarHBondContact CB-OD2 3.37Å; S219-D222 PolarHBondContact O-N 3.06Å; S219-D222 VanDerWaalsContact O-N 3.13Å; S219-D222 WeakPolarHBondContact OG-CB 3.23Å; S219-D222 PolarHBondContact OG-N 3.17Å; S219-D222 VanDerWaalsContact OG-N 3.08Å; S219-D222 PolarHBondContact OG-OD1 2.93Å; S219-D222 PolarHBondContact OG-OD2 3.13Å; S219-R223 PolarHBondContact O-N 3.27Å; S219-R223 VanDerWaalsContact O-N 3.1Å
220E90.2Very high87.8Confident126 Ų126100 Ų10059%0.58955%0.552SS**Hα-helixtrans-60.8-33.3177.4-164.3-167150.300111.6R223 K224E220-R223 PolarHBondContact O-N 3.26Å; E220-K224 WeakPolarHBondContact O-CG 3.39Å; E220-K224 PolarHBondContact O-N 2.6Å; E220-K224 VanDerWaalsContact O-N 3.14Å; E220-K224 WeakPolarHBondContact OE1-CE 3.47Å; E220-K224 IonicContact OE1-NZ 3.01Å; E220-K224 PolarHBondContact OE1-NZ 3.43Å
221T90.8Very high87.7Confident90 Ų90100.9 Ų100.955%0.55254%0.543SS*.Hα-helixtrans-63.2-44.9174.539.70000111.8S219 R223 K224 L225S219-T221 PolarHBondContact O-N 3.28Å; S219-T221 PolarHBondContact OG-OG1 2.99Å; T221-R223 VanDerWaalsContact C-N 3.33Å; T221-R223 PolarHBondContact O-N 3.29Å; T221-K224 PolarHBondContact O-N 3.2Å; T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 2.91Å
222D89Confident87.7Confident87 Ų87104.3 Ų104.347%0.46555%0.551SS.*Hα-helixtrans-66-39179.6-61.3-28.2000111S219 K224 L225 A226S219-D222 WeakPolarHBondContact CB-OD2 3.37Å; S219-D222 PolarHBondContact O-N 3.06Å; S219-D222 VanDerWaalsContact O-N 3.13Å; S219-D222 WeakPolarHBondContact OG-CB 3.23Å; S219-D222 PolarHBondContact OG-N 3.17Å; S219-D222 VanDerWaalsContact OG-N 3.08Å; S219-D222 PolarHBondContact OG-OD1 2.93Å; S219-D222 PolarHBondContact OG-OD2 3.13Å; D222-K224 VanDerWaalsContact C-N 3.34Å; D222-K224 PolarHBondContact O-N 3.29Å; D222-L225 PolarHBondContact O-N 3.44Å; D222-A226 VanDerWaalsContact O-CB 3.29Å; D222-A226 WeakPolarHBondContact O-CB 3.34Å; D222-A226 PolarHBondContact O-N 3.4Å
223R88.4Confident87.3Confident175 Ų175105.8 Ų105.866%0.6655%0.546SS*.Hα-helixtrans-61.6-41.8176.1-161.7-177.977.3165.23.3112S219 E220 T221 S227S219-R223 PolarHBondContact O-N 3.27Å; S219-R223 VanDerWaalsContact O-N 3.1Å; E220-R223 PolarHBondContact O-N 3.26Å; T221-R223 VanDerWaalsContact C-N 3.33Å; T221-R223 PolarHBondContact O-N 3.29Å; R223-S227 PolarHBondContact O-N 2.87Å; R223-S227 VanDerWaalsContact O-N 3.09Å
224K91Very high86.8Confident101 Ų101105 Ų10544%0.43955%0.547SS..Hα-helixtrans-64.5-49.4176.4-73.2173.6-174.4166.40110.9E220 T221 D222 A226 S227 M228E220-K224 WeakPolarHBondContact O-CG 3.39Å; E220-K224 PolarHBondContact O-N 2.6Å; E220-K224 VanDerWaalsContact O-N 3.14Å; E220-K224 WeakPolarHBondContact OE1-CE 3.47Å; E220-K224 IonicContact OE1-NZ 3.01Å; E220-K224 PolarHBondContact OE1-NZ 3.43Å; T221-K224 PolarHBondContact O-N 3.2Å; D222-K224 VanDerWaalsContact C-N 3.34Å; D222-K224 PolarHBondContact O-N 3.29Å; K224-A226 PolarHBondContact O-N 2.94Å; K224-S227 PolarHBondContact O-N 3.22Å; K224-S227 PolarHBondContact O-OG 3.48Å; K224-M228 WeakPolarHBondContact O-CG 3.36Å; K224-M228 PolarHBondContact O-N 3.03Å; K224-M228 VanDerWaalsContact O-N 3.11Å
225L90.5Very high86.3Confident100 Ų100103.7 Ų103.752%0.52454%0.54SS..Hα-helixtrans-59-45177.7-72.3168.1000112T221 D222 S227 M228 I229T221-L225 WeakPolarHBondContact O-CG 3.49Å; T221-L225 PolarHBondContact O-N 2.91Å; D222-L225 PolarHBondContact O-N 3.44Å; L225-S227 VanDerWaalsContact C-N 3.32Å; L225-S227 PolarHBondContact O-N 2.99Å; L225-M228 PolarHBondContact O-N 3.26Å; L225-I229 WeakPolarHBondContact O-CG1 3.29Å; L225-I229 PolarHBondContact O-N 3.4Å
226A88.7Confident85.4Confident58 Ų58106.9 Ų106.948%0.47955%0.553SS.*Hα-helixtrans-60.8-40.3177.200000112.2D222 K224 I229 A230D222-A226 VanDerWaalsContact O-CB 3.29Å; D222-A226 WeakPolarHBondContact O-CB 3.34Å; D222-A226 PolarHBondContact O-N 3.4Å; K224-A226 PolarHBondContact O-N 2.94Å; A226-I229 PolarHBondContact O-N 3.48Å; A226-A230 WeakPolarHBondContact O-CB 3.33Å; A226-A230 PolarHBondContact O-N 3.02Å
227S90Very high84.1Confident56 Ų56106.1 Ų106.139%0.39255%0.553SS.*Hα-helixtrans-64.6-39.2177.174.90000112.7R223 K224 L225 A230 Q231R223-S227 PolarHBondContact O-N 2.87Å; R223-S227 VanDerWaalsContact O-N 3.09Å; K224-S227 PolarHBondContact O-N 3.22Å; K224-S227 PolarHBondContact O-OG 3.48Å; L225-S227 VanDerWaalsContact C-N 3.32Å; L225-S227 PolarHBondContact O-N 2.99Å; S227-A230 PolarHBondContact O-N 2.96Å; S227-Q231 WeakPolarHBondContact O-CG 3.48Å; S227-Q231 PolarHBondContact O-N 3.48Å; S227-Q231 VanDerWaalsContact O-N 3.08Å
228M89.6Confident82.3Confident115 Ų115106.7 Ų106.757%0.56758%0.582SS**Hα-helixtrans-64.7-43.4175.1-65.3178.6-167.700111.7K224 L225 A230 Q231 Y232K224-M228 WeakPolarHBondContact O-CG 3.36Å; K224-M228 PolarHBondContact O-N 3.03Å; K224-M228 VanDerWaalsContact O-N 3.11Å; L225-M228 PolarHBondContact O-N 3.26Å; M228-A230 VanDerWaalsContact C-N 3.35Å; M228-A230 PolarHBondContact O-N 2.83Å; M228-Q231 PolarHBondContact O-N 2.97Å; M228-Y232 PolarHBondContact O-N 3.01Å
229I90Very high82.2Confident92 Ų92104.2 Ų104.247%0.47257%0.574SS.*Hα-helixtrans-64.1-40.7178.1-65.3165.5000111L225 A226 Y232 R233L225-I229 WeakPolarHBondContact O-CG1 3.29Å; L225-I229 PolarHBondContact O-N 3.4Å; A226-I229 PolarHBondContact O-N 3.48Å; I229-Y232 PolarHBondContact O-N 2.72Å; I229-R233 WeakPolarHBondContact O-CG 3.3Å; I229-R233 PolarHBondContact O-N 3.49Å
230A87.4Confident81.9Confident54 Ų54107.6 Ų107.645%0.44659%0.59SS.*Hα-helixtrans-63.7-43177.600000112A226 S227 M228 R233 T234A226-A230 WeakPolarHBondContact O-CB 3.33Å; A226-A230 PolarHBondContact O-N 3.02Å; S227-A230 PolarHBondContact O-N 2.96Å; M228-A230 VanDerWaalsContact C-N 3.35Å; M228-A230 PolarHBondContact O-N 2.83Å; A230-R233 PolarHBondContact O-N 2.88Å; A230-T234 PolarHBondContact O-N 2.89Å; A230-T234 PolarHBondContact O-OG1 3.25Å
231Q85.7Confident81.4Confident132 Ų132106.6 Ų106.662%0.61759%0.59SS**Hα-helixtrans-62.3-42.2174.9-72.4173.23.900111.9S227 M228 R233 T234 S235S227-Q231 WeakPolarHBondContact O-CG 3.48Å; S227-Q231 PolarHBondContact O-N 3.48Å; S227-Q231 VanDerWaalsContact O-N 3.08Å; M228-Q231 PolarHBondContact O-N 2.97Å; Q231-R233 PolarHBondContact O-N 3.48Å; Q231-T234 WeakPolarHBondContact CA-OG1 2.92Å; Q231-T234 PolarHBondContact O-N 3.44Å; Q231-T234 PolarHBondContact O-OG1 3.05Å; Q231-S235 PolarHBondContact O-N 2.88Å; Q231-S235 PolarHBondContact O-OG 3.02Å
232Y84.6Confident80.9Confident148 Ų148107.6 Ų107.658%0.5859%0.592SS**Hα-helixtrans-64.1-41.7179-163.3-100.3000112.3M228 I229 T234 S235 E236M228-Y232 PolarHBondContact O-N 3.01Å; I229-Y232 PolarHBondContact O-N 2.72Å; Y232-T234 VanDerWaalsContact C-N 3.3Å; Y232-T234 PolarHBondContact O-N 3.43Å; Y232-S235 WeakPolarHBondContact CA-OG 3.27Å; Y232-S235 PolarHBondContact O-N 3.06Å; Y232-S235 PolarHBondContact O-OG 3.08Å; Y232-E236 HydrophobicContact CD1-CG 4.33Å; Y232-E236 HydrophobicContact CE1-CG 4.07Å; Y232-E236 WeakPolarHBondContact CE1-OE1 3.5Å; Y232-E236 PolarHBondContact O-N 2.9Å
233R77.5Confident80.3Confident176 Ų176108.9 Ų108.966%0.66460%0.6SS**Hα-helixtrans-62.8-35.8175.9-74.1179.7179.2178.20.5112.9I229 A230 Q231 S235 S237I229-R233 WeakPolarHBondContact O-CG 3.3Å; I229-R233 PolarHBondContact O-N 3.49Å; A230-R233 PolarHBondContact O-N 2.88Å; Q231-R233 PolarHBondContact O-N 3.48Å; R233-S235 VanDerWaalsContact C-N 3.34Å; R233-S237 PolarHBondContact O-OG 2.76Å
234T75.7Confident79.8Confident99 Ų99104.5 Ų104.561%0.60760%0.596SS**Hα-helixtrans-70.8-29.2176.652.60000112.9A230 Q231 Y232A230-T234 PolarHBondContact O-N 2.89Å; A230-T234 PolarHBondContact O-OG1 3.25Å; Q231-T234 WeakPolarHBondContact CA-OG1 2.92Å; Q231-T234 PolarHBondContact O-N 3.44Å; Q231-T234 PolarHBondContact O-OG1 3.05Å; Y232-T234 VanDerWaalsContact C-N 3.3Å; Y232-T234 PolarHBondContact O-N 3.43Å
235S73.4Confident79Confident74 Ų74104.7 Ų104.752%0.51761%0.607SS.*Hα-helixtrans-79.3-23.6176.5520000114.3Q231 Y232 R233Q231-S235 PolarHBondContact O-N 2.88Å; Q231-S235 PolarHBondContact O-OG 3.02Å; Y232-S235 WeakPolarHBondContact CA-OG 3.27Å; Y232-S235 PolarHBondContact O-N 3.06Å; Y232-S235 PolarHBondContact O-OG 3.08Å; R233-S235 VanDerWaalsContact C-N 3.34Å
236E67.2Low78.1Confident134 Ų134105.1 Ų105.163%0.62661%0.614SS**Hα-helixtrans-85.8-11.6176.9-70.2-173.114300113.5Y232Y232-E236 HydrophobicContact CD1-CG 4.33Å; Y232-E236 HydrophobicContact CE1-CG 4.07Å; Y232-E236 WeakPolarHBondContact CE1-OE1 3.5Å; Y232-E236 PolarHBondContact O-N 2.9Å
237S59.2Low77.2Confident103 Ų103109 Ų10972%0.7263%0.625SS**  trans-108.14.6-175.346.60000114.8R233R233-S237 PolarHBondContact O-OG 2.76Å
238G46.7Very low76.1Confident125 Ų125113.8 Ų113.8100%1.28965%0.646SS**  trans-121.70171.300000111.2

Retrieved 238 of 238 residues in 291.6 ms (Link to these results)

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