A0A087WSF2_MOUSE Loading...

non-specific serine/threonine protein kinase

May play a role in sperm motility, especially in the regulation of flagellar function.

AlphaFold DB , UniProt , Accession A0A087WSF2, Species MOUSE (Mus musculus, Mouse), Gene Smok3c, Length 504 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
1M42.8Very low40Very low247 Ų247156.5 Ų156.5100%1.21788%0.878SS**  0152.40-71.7175.317300108.3
2G49.5Very low39.3Very low81 Ų81155.4 Ų155.484%0.83587%0.867SS**  trans-69.4140.7-145.600000118.4
3P41.6Very low38.8Very low135 Ų135162.4 Ų162.488%0.87787%0.872SS**  trans-104.5153.2152.637.2-29000111.9
4G40Very low38.3Very low75 Ų75159.1 Ų159.177%0.77387%0.866SS**  trans144.1155.8173.600000112.1
5S42.9Very low37.7Very low122 Ų122161.3 Ų161.385%0.85386%0.864SS**  cis-163.2158.7-12.743.60000108.8
6Q36.9Very low37.2Very low188 Ų188158.6 Ų158.688%0.87986%0.857SS**  trans-45.3146-178.7-60161.5-11.900115.3
7Q39.3Very low36.6Very low194 Ų194154.9 Ų154.991%0.90784%0.844SS**  trans-158.8126.2132-113.9169.123.400113.2
8K35.3Very low36.2Very low199 Ų199156.3 Ų156.387%0.86584%0.841SS**  trans-65.1145.2163.4-75.6174.3172.1176.70109.1
9S38.8Very low35.7Very low116 Ų116153.6 Ų153.681%0.81184%0.835SS**  trans-121.6101.3158.653.60000110.5
10E34.2Very low35.5Very low166 Ų166154.3 Ų154.378%0.77684%0.838SS**  trans-68130.8160.4-72.3173.8114.800108.8L12E10-L12 HydrophobicContact CB-CD1 4.45Å
11K38.3Very low35.5Very low198 Ų198153.4 Ų153.486%0.86183%0.83SS**  trans-124.490159.4-94-179.4177.1168.60109.4R13K11-R13 PolarHBondContact O-N 3.26Å
12L31.6Very low35.9Very low144 Ų144148.5 Ų148.575%0.75481%0.809SS**  trans-51.1125.2156-76.877.4000108.2E10E10-L12 HydrophobicContact CB-CD1 4.45Å
13R33.2Very low37.3Very low246 Ų246146.1 Ų146.193%0.92878%0.784SS**  trans-125116.7153.3-98.7-170.9169.9-163.1-3108.8K11K11-R13 PolarHBondContact O-N 3.26Å
14C32.2Very low39.6Very low116 Ų116139.8 Ų139.878%0.78474%0.743SS**PPolyproline II helixtrans-60.6139.1-168.3-52.80000112.1
15K29.2Very low42.1Very low192 Ų192141.1 Ų141.184%0.83573%0.729SS**PPolyproline II helixtrans-57.9139.2152.2-70.4175.5177.4174.70107.7
16P29.6Very low44.4Very low118 Ų118137.7 Ų137.777%0.76671%0.708SS**PPolyproline II helixtrans-67.8129.3178.127.9-33.2000109.8
17P27.4Very low47.2Very low97 Ų97130.1 Ų130.163%0.6367%0.672SS**SBendtrans-68.7164.1161.531.6-32.6000109.7
18F28.7Very low49.9Very low180 Ų180120.9 Ų120.979%0.78963%0.629SS**  trans75.468.6178.6-47.7-68.7000116.4N20F18-N20 PolarHBondContact O-N 3.27Å
19S27.8Very low52.9Low104 Ų104113.6 Ų113.673%0.72760%0.602SS**  trans-71103.9155.953.80000111.9M21S19-M21 PolarHBondContact O-N 3.16Å; S19-M21 VanDerWaalsContact O-N 3.09Å
20N30.4Very low55.6Low167 Ų167110.4 Ų110.489%0.89357%0.574SS**SBendtrans63.119.3143.3-114.7-0.3000119.9F18F18-N20 PolarHBondContact O-N 3.27Å
21M34.9Very low58.5Low136 Ų136105.5 Ų105.567%0.6755%0.553SS**  trans-106.68.8-177.4-85-69.1-165.400116.6S19 G23 A26S19-M21 PolarHBondContact O-N 3.16Å; S19-M21 VanDerWaalsContact O-N 3.09Å; M21-G23 PolarHBondContact O-N 3.38Å; M21-G23 VanDerWaalsContact O-N 3.11Å; M21-A26 WeakPolarHBondContact O-CB 3.46Å
22D52.1Low61.2Low144 Ų144102.5 Ų102.577%0.7754%0.542SS*.  trans-78.18.9179.5-56.6-42.3000115
23G79.2Confident64.2Low31 Ų3198.2 Ų98.232%0.3252%0.522SS..SBendtrans-96.7140.8179.100000112.3M21 H25 A26M21-G23 PolarHBondContact O-N 3.38Å; M21-G23 VanDerWaalsContact O-N 3.11Å; G23-H25 PolarHBondContact O-N 3.47Å; G23-A26 PolarHBondContact O-N 3.09Å; G23-A26 VanDerWaalsContact O-N 3.07Å
24F90.3Very high67Low2 Ų290.2 Ų90.21%0.00950%0.497CS..G310 helixtrans17.8-63.8164.7-179.3-92.5000118.1A26 Q27 Y28 M30 V56 I91 Y98 I100F24-A26 PolarHBondContact O-N 2.85Å; F24-Q27 PolarHBondContact O-N 3.02Å; F24-Y28 HydrophobicContact CD2-CD2 4.26Å; F24-Y28 AromaticContact CE2-CD2 3.99Å; F24-Y28 HydrophobicContact CE2-CD2 3.99Å; F24-Y28 HydrophobicContact CE2-CG 4.03Å; F24-Y28 VanDerWaalsContact CZ-CB 3.47Å; F24-Y28 HydrophobicContact CZ-CG 4.19Å; F24-Y28 PolarHBondContact O-N 3.45Å; F24-M30 HydrophobicContact CE1-CB 4.31Å; F24-M30 HydrophobicContact CE1-CE 3.88Å; F24-M30 HydrophobicContact CE1-SD 4.13Å; F24-M30 HydrophobicContact CE2-CE 4.39Å; F24-M30 HydrophobicContact CZ-CE 3.4Å; F24-M30 VanDerWaalsContact CZ-CE 3.4Å; F24-M30 HydrophobicContact CZ-SD 4.21Å; F24-V56 HydrophobicContact CE2-CG1 3.83Å; F24-V56 HydrophobicContact CE2-CG2 4.17Å; F24-V56 HydrophobicContact CZ-CG1 4.21Å; F24-V56 HydrophobicContact CZ-CG2 4.27Å; F24-I91 HydrophobicContact CB-CG2 4.32Å; F24-I91 HydrophobicContact CD2-CD1 4.1Å; F24-Y98 HydrophobicContact CB-CD2 4.33Å; F24-Y98 HydrophobicContact CB-CE2 4.17Å; F24-Y98 HydrophobicContact CD1-CE1 4.2Å; F24-Y98 AromaticContact CD2-CD1 3.69Å; F24-Y98 HydrophobicContact CD2-CD1 3.69Å; F24-Y98 HydrophobicContact CD2-CD2 4.29Å; F24-Y98 HydrophobicContact CD2-CE1 4.1Å; F24-Y98 AromaticContact CD2-CG 3.77Å; F24-Y98 HydrophobicContact CD2-CG 3.77Å; F24-Y98 AromaticContact CE2-CD1 3.96Å; F24-Y98 HydrophobicContact CE2-CD1 3.96Å; F24-Y98 HydrophobicContact CE2-CE1 4.48Å; F24-Y98 HydrophobicContact CE2-CG 4.36Å; F24-Y98 HydrophobicContact CG-CD1 4.06Å; F24-Y98 HydrophobicContact CG-CD2 4.44Å; F24-Y98 AromaticContact CG-CE1 3.99Å; F24-Y98 HydrophobicContact CG-CE1 3.99Å; F24-Y98 HydrophobicContact CG-CE2 4.42Å; F24-Y98 HydrophobicContact CG-CG 4.27Å; F24-I100 HydrophobicContact CD2-CD1 4.21Å; F24-I100 HydrophobicContact CE2-CD1 3.71Å
25H92.1Very high69.4Low103 Ų10385.8 Ų85.848%0.47747%0.471SS..G310 helixtrans-58.1-22.2-178.8-66.2-68.6000115.3G23 Q27 Y28 R48G23-H25 PolarHBondContact O-N 3.47Å; H25-Q27 VanDerWaalsContact C-N 3.33Å; H25-Y28 WeakPolarHBondContact CA-O 3.05Å; H25-R48 PolarHBondContact O-NE 3.11Å; H25-R48 PolarHBondContact O-NH2 3.11Å
26A92.1Very high71.6Confident50 Ų5084 Ų8441%0.41347%0.465SS..G310 helixtrans-75.9-18.7172.400000114M21 G23 F24 R48M21-A26 WeakPolarHBondContact O-CB 3.46Å; G23-A26 PolarHBondContact O-N 3.09Å; G23-A26 VanDerWaalsContact O-N 3.07Å; F24-A26 PolarHBondContact O-N 2.85Å; A26-R48 VanDerWaalsContact O-CD 3.32Å; A26-R48 WeakPolarHBondContact O-CD 3.42Å
27Q94.1Very high73.3Confident29 Ų2980.4 Ų80.414%0.13645%0.449CS..THydrogen-bonded Turntrans-108.8-28179.1-64.4170.811.800112F24 H25 H47 R48 Q324F24-Q27 PolarHBondContact O-N 3.02Å; H25-Q27 VanDerWaalsContact C-N 3.33Å; Q27-H47 PolarHBondContact O-CD2 3.32Å; Q27-R48 WeakPolarHBondContact O-CB 3.44Å; Q27-R48 WeakPolarHBondContact O-CG 3.34Å; Q27-R48 PolarHBondContact O-N 2.85Å; Q27-Q324 HydrophobicContact CG-CG 4.31Å
28Y97.1Very high74.9Confident0 Ų080 Ų800%046%0.463CS..EExtended strand (participates in β ladder)trans-133.7139.8-174-63.8-85.9000113.2F24 H25 Q46 H47 V54 Q89 I91 I100F24-Y28 HydrophobicContact CD2-CD2 4.26Å; F24-Y28 AromaticContact CE2-CD2 3.99Å; F24-Y28 HydrophobicContact CE2-CD2 3.99Å; F24-Y28 HydrophobicContact CE2-CG 4.03Å; F24-Y28 VanDerWaalsContact CZ-CB 3.47Å; F24-Y28 HydrophobicContact CZ-CG 4.19Å; F24-Y28 PolarHBondContact O-N 3.45Å; H25-Y28 WeakPolarHBondContact CA-O 3.05Å; Y28-Q46 CarbonylContact C-O 3.56Å; Y28-Q46 VanDerWaalsContact CA-O 3.31Å; Y28-Q46 WeakPolarHBondContact CA-O 3.36Å; Y28-H47 HydrophobicContact CD1-CB 3.99Å; Y28-H47 HydrophobicContact CE1-CB 3.62Å; Y28-H47 AromaticContact CE1-CD2 3.45Å; Y28-H47 VanDerWaalsContact CE1-CD2 3.45Å; Y28-H47 WeakPolarHBondContact CE1-CD2 3.3Å; Y28-H47 AromaticContact CE1-CG 3.81Å; Y28-H47 AromaticContact CZ-CD2 3.48Å; Y28-H47 VanDerWaalsContact CZ-CD2 3.48Å; Y28-V54 HydrophobicContact CD1-CG2 3.8Å; Y28-V54 HydrophobicContact CE1-CG2 3.76Å; Y28-Q89 PolarHBondContact OH-OE1 3.34Å; Y28-Q89 VanDerWaalsContact OH-OE1 3.07Å; Y28-I91 HydrophobicContact CD2-CD1 4.05Å; Y28-I91 HydrophobicContact CE2-CD1 3.9Å; Y28-I100 HydrophobicContact CD2-CD1 4.13Å; Y28-I100 HydrophobicContact CE1-CG2 3.77Å; Y28-I100 HydrophobicContact CE2-CD1 3.97Å; Y28-I100 HydrophobicContact CE2-CG1 3.93Å
29V96.9Very high76.7Confident47 Ų4775.5 Ų75.529%0.28545%0.453SS..EExtended strand (participates in β ladder)trans-92.5119.1165.4-178.80000108.2L31 A45 Q46 R48V29-L31 HydrophobicContact CG1-CD2 4.09Å; V29-A45 CarbonylContact O-C 3.57Å; V29-A45 WeakPolarHBondContact O-CA 3.22Å; V29-A45 VanDerWaalsContact O-CB 3.27Å; V29-A45 WeakPolarHBondContact O-CB 3.5Å; V29-Q46 HydrophobicContact CB-CB 4.38Å; V29-Q46 PolarHBondContact N-O 2.99Å; V29-Q46 PolarHBondContact O-N 3.35Å; V29-R48 HydrophobicContact CG2-CG 4.07Å
30M95.8Very high79.2Confident48 Ų4871.3 Ų71.324%0.23642%0.424CS..EExtended strand (participates in β ladder)trans-78.5131.2176.8-168108.9-72.300110.5F24 K43 A45 V56F24-M30 HydrophobicContact CE1-CB 4.31Å; F24-M30 HydrophobicContact CE1-CE 3.88Å; F24-M30 HydrophobicContact CE1-SD 4.13Å; F24-M30 HydrophobicContact CE2-CE 4.39Å; F24-M30 HydrophobicContact CZ-CE 3.4Å; F24-M30 VanDerWaalsContact CZ-CE 3.4Å; F24-M30 HydrophobicContact CZ-SD 4.21Å; M30-K43 HydrophobicContact CE-CB 3.84Å; M30-K43 HydrophobicContact CE-CD 4.46Å; M30-K43 HydrophobicContact CG-CB 4.36Å; M30-K43 HydrophobicContact CG-CD 3.6Å; M30-K43 HydrophobicContact SD-CB 4Å; M30-K43 HydrophobicContact SD-CD 3.52Å; M30-K43 VanDerWaalsContact SD-CD 3.52Å; M30-K43 HydrophobicContact SD-CG 4.28Å; M30-A45 HydrophobicContact CE-CB 3.72Å; M30-V56 HydrophobicContact CE-CB 3.73Å; M30-V56 HydrophobicContact CE-CG1 3.98Å; M30-V56 HydrophobicContact CE-CG2 3.91Å
31L96Very high81.9Confident64 Ų6465.9 Ų65.934%0.33540%0.397SS..EExtended strand (participates in β ladder)trans-112.5-145.8178.3-56.2177000109.9V29 L44 Q46V29-L31 HydrophobicContact CG1-CD2 4.09Å; L31-L44 WeakPolarHBondContact CA-O 3.19Å; L31-L44 HydrophobicContact CB-CB 4.12Å; L31-L44 HydrophobicContact CB-CD2 4.24Å; L31-L44 HydrophobicContact CB-CG 4.22Å; L31-L44 WeakPolarHBondContact CB-O 3.43Å; L31-L44 HydrophobicContact CD1-CD2 3.87Å; L31-L44 HydrophobicContact CD1-CG 4.02Å; L31-L44 PolarHBondContact N-O 2.62Å; L31-Q46 HydrophobicContact CD1-CB 4.43Å
32E95.1Very high84.7Confident134 Ų13461 Ų6163%0.62638%0.375SS*.EExtended strand (participates in β ladder)trans-68.3163.1-176.262.3-178.6-167.200114.7I34 K43 L44E32-I34 HydrophobicContact CG-CG2 4.34Å; E32-K43 CarbonylContact O-C 3.48Å; E32-K43 VanDerWaalsContact O-CA 3.31Å; E32-K43 WeakPolarHBondContact O-CA 3.45Å; E32-K43 WeakPolarHBondContact O-CB 3.36Å; E32-L44 HydrophobicContact CG-CB 4.17Å; E32-L44 HydrophobicContact CG-CD2 4.25Å; E32-L44 PolarHBondContact O-N 2.77Å
33T93.6Very high86.8Confident54 Ų5457 Ų5733%0.33135%0.351SS..EExtended strand (participates in β ladder)trans-86.6117.3174.8-50.70000110.2G35 H36 V42 K43T33-G35 WeakPolarHBondContact CG2-O 3.39Å; T33-H36 VanDerWaalsContact CG2-CE1 3.47Å; T33-H36 WeakPolarHBondContact CG2-CE1 3.41Å; T33-V42 WeakPolarHBondContact CG2-O 3.43Å; T33-K43 HydrophobicContact CG2-CG 4.43Å; T33-K43 VanDerWaalsContact OG1-CE 3.3Å; T33-K43 WeakPolarHBondContact OG1-CE 3.49Å
34I92Very high87.6Confident79 Ų7956.8 Ų56.841%0.40534%0.342SS..EExtended strand (participates in β ladder)trans-98-15.2-179.961.4177.3000113E32 V42 L44 A55 L103E32-I34 HydrophobicContact CG-CG2 4.34Å; I34-V42 HydrophobicContact CD1-CG1 4.04Å; I34-V42 HydrophobicContact CG1-CB 4.33Å; I34-V42 HydrophobicContact CG1-CG1 3.85Å; I34-V42 WeakPolarHBondContact CG1-O 3.49Å; I34-V42 PolarHBondContact N-O 3.14Å; I34-L44 HydrophobicContact CG2-CB 3.87Å; I34-A55 HydrophobicContact CD1-CB 4.09Å; I34-L103 HydrophobicContact CD1-CD1 3.96Å
35G83.3Confident88Confident23 Ų2356.7 Ų56.724%0.23734%0.342CS..EExtended strand (participates in β ladder)trans-156.4146.5177.500000113.9T33 V42T33-G35 WeakPolarHBondContact CG2-O 3.39Å; G35-V42 PolarHBondContact N-O 3.43Å; G35-V42 PolarHBondContact O-N 3.01Å
36H75Confident88.2Confident155 Ų15555.3 Ų55.372%0.71834%0.335SS*.EExtended strand (participates in β ladder)trans-122.3116.5175.4-64.487.5000109.4T33T33-H36 VanDerWaalsContact CG2-CE1 3.47Å; T33-H36 WeakPolarHBondContact CG2-CE1 3.41Å
37G65.7Low88.4Confident41 Ų4152.9 Ų52.942%0.42332%0.316SS..  trans-106.9167.5169.400000111.2C39 A40G37-C39 VanDerWaalsContact C-N 3.27Å; G37-C39 PolarHBondContact O-N 3.27Å; G37-A40 CarbonylContact C-O 3.45Å; G37-A40 WeakPolarHBondContact CA-O 3.32Å; G37-A40 PolarHBondContact N-O 3.32Å; G37-A40 VanDerWaalsContact O-O 3.12Å
38G61.8Low88.5Confident89 Ų8958 Ų5892%0.91833%0.334SS*.SBendtrans-63.1-28.7-176.500000114.8
39C65.7Low88.3Confident86 Ų8660.3 Ų60.358%0.58135%0.346SS*.SBendtrans-125.40.9-178.9-68.20000114.1G37G37-C39 VanDerWaalsContact C-N 3.27Å; G37-C39 PolarHBondContact O-N 3.27Å
40A80.1Confident88Confident15 Ų1558.6 Ų58.612%0.12434%0.335CS..EExtended strand (participates in β ladder)trans-147.9149.1-17400000111.4G37 K57 T58 I59G37-A40 CarbonylContact C-O 3.45Å; G37-A40 WeakPolarHBondContact CA-O 3.32Å; G37-A40 PolarHBondContact N-O 3.32Å; G37-A40 VanDerWaalsContact O-O 3.12Å; A40-K57 HydrophobicContact CB-CD 4.38Å; A40-K57 HydrophobicContact CB-CG 3.89Å; A40-T58 WeakPolarHBondContact CA-O 3.31Å; A40-I59 HydrophobicContact CB-CG1 4.17Å
41T87.8Confident87.9Confident54 Ų5457.8 Ų57.833%0.33134%0.34SS..EExtended strand (participates in β ladder)trans-111.9134.117053.70000109.5T58T41-T58 PolarHBondContact N-O 3.44Å; T41-T58 PolarHBondContact O-N 3.41Å
42V92.9Very high87.9Confident33 Ų3355.9 Ų55.920%0.233%0.331CS..EExtended strand (participates in β ladder)trans-102.8121174.9-171.20000108T33 I34 G35 A55 V56 K57 M101T33-V42 WeakPolarHBondContact CG2-O 3.43Å; I34-V42 HydrophobicContact CD1-CG1 4.04Å; I34-V42 HydrophobicContact CG1-CB 4.33Å; I34-V42 HydrophobicContact CG1-CG1 3.85Å; I34-V42 WeakPolarHBondContact CG1-O 3.49Å; I34-V42 PolarHBondContact N-O 3.14Å; G35-V42 PolarHBondContact N-O 3.43Å; G35-V42 PolarHBondContact O-N 3.01Å; V42-A55 HydrophobicContact CG1-CB 4.24Å; V42-V56 WeakPolarHBondContact CA-O 3.42Å; V42-K57 HydrophobicContact CG2-CB 4.33Å; V42-K57 HydrophobicContact CG2-CG 4.15Å; V42-M101 HydrophobicContact CG1-CE 4.45Å
43K95.5Very high88Confident61 Ų6153.8 Ų53.827%0.26532%0.32SS..EExtended strand (participates in β ladder)trans-117.4147-180-68.3-163.8158.8-142.90111.2M30 E32 T33 V56M30-K43 HydrophobicContact CE-CB 3.84Å; M30-K43 HydrophobicContact CE-CD 4.46Å; M30-K43 HydrophobicContact CG-CB 4.36Å; M30-K43 HydrophobicContact CG-CD 3.6Å; M30-K43 HydrophobicContact SD-CB 4Å; M30-K43 HydrophobicContact SD-CD 3.52Å; M30-K43 VanDerWaalsContact SD-CD 3.52Å; M30-K43 HydrophobicContact SD-CG 4.28Å; E32-K43 CarbonylContact O-C 3.48Å; E32-K43 VanDerWaalsContact O-CA 3.31Å; E32-K43 WeakPolarHBondContact O-CA 3.45Å; E32-K43 WeakPolarHBondContact O-CB 3.36Å; T33-K43 HydrophobicContact CG2-CG 4.43Å; T33-K43 VanDerWaalsContact OG1-CE 3.3Å; T33-K43 WeakPolarHBondContact OG1-CE 3.49Å; K43-V56 PolarHBondContact N-O 3.22Å; K43-V56 PolarHBondContact O-N 3.46Å
44L97Very high88.1Confident26 Ų2651.2 Ų51.214%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-65.8142.6161.5-173.967.5000108.2L31 E32 I34 H53 L103L31-L44 WeakPolarHBondContact CA-O 3.19Å; L31-L44 HydrophobicContact CB-CB 4.12Å; L31-L44 HydrophobicContact CB-CD2 4.24Å; L31-L44 HydrophobicContact CB-CG 4.22Å; L31-L44 WeakPolarHBondContact CB-O 3.43Å; L31-L44 HydrophobicContact CD1-CD2 3.87Å; L31-L44 HydrophobicContact CD1-CG 4.02Å; L31-L44 PolarHBondContact N-O 2.62Å; E32-L44 HydrophobicContact CG-CB 4.17Å; E32-L44 HydrophobicContact CG-CD2 4.25Å; E32-L44 PolarHBondContact O-N 2.77Å; I34-L44 HydrophobicContact CG2-CB 3.87Å; L44-H53 HydrophobicContact CD1-CB 4.06Å; L44-L103 HydrophobicContact CD1-CD1 3.99Å; L44-L103 HydrophobicContact CD1-CD2 3.6Å; L44-L103 HydrophobicContact CD1-CG 4.44Å
45A97.7Very high88.4Confident0 Ų047.8 Ų47.80%029%0.289CS..EExtended strand (participates in β ladder)trans-143.2161168.600000110.3V29 M30 H53 V54 V56V29-A45 CarbonylContact O-C 3.57Å; V29-A45 WeakPolarHBondContact O-CA 3.22Å; V29-A45 VanDerWaalsContact O-CB 3.27Å; V29-A45 WeakPolarHBondContact O-CB 3.5Å; M30-A45 HydrophobicContact CE-CB 3.72Å; A45-H53 CarbonylContact O-C 3.48Å; A45-H53 VanDerWaalsContact O-CA 3.31Å; A45-H53 WeakPolarHBondContact O-CA 3.46Å; A45-V54 HydrophobicContact CB-CG2 3.91Å; A45-V54 PolarHBondContact N-O 3.14Å; A45-V54 PolarHBondContact O-N 2.99Å; A45-V56 HydrophobicContact CB-CG2 3.57Å
46Q97.6Very high89Confident73 Ų7346.7 Ų46.734%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-110.4127.8171.5-165.2-178.124.300109.4Y28 V29 L31 G51Y28-Q46 CarbonylContact C-O 3.56Å; Y28-Q46 VanDerWaalsContact CA-O 3.31Å; Y28-Q46 WeakPolarHBondContact CA-O 3.36Å; V29-Q46 HydrophobicContact CB-CB 4.38Å; V29-Q46 PolarHBondContact N-O 2.99Å; V29-Q46 PolarHBondContact O-N 3.35Å; L31-Q46 HydrophobicContact CD1-CB 4.43Å; Q46-G51 VanDerWaalsContact CG-O 3.27Å; Q46-G51 WeakPolarHBondContact CG-O 3.46Å; Q46-G51 PolarHBondContact NE2-O 2.96Å
47H96.6Very high89.8Confident0 Ų040 Ų400%025%0.246CC..EExtended strand (participates in β ladder)trans-73.8124.8171.6-176.6-129.8000109.8Q27 Y28 T50 G51 T52 S328 L331Q27-H47 PolarHBondContact O-CD2 3.32Å; Y28-H47 HydrophobicContact CD1-CB 3.99Å; Y28-H47 HydrophobicContact CE1-CB 3.62Å; Y28-H47 AromaticContact CE1-CD2 3.45Å; Y28-H47 VanDerWaalsContact CE1-CD2 3.45Å; Y28-H47 WeakPolarHBondContact CE1-CD2 3.3Å; Y28-H47 AromaticContact CE1-CG 3.81Å; Y28-H47 AromaticContact CZ-CD2 3.48Å; Y28-H47 VanDerWaalsContact CZ-CD2 3.48Å; H47-T50 WeakPolarHBondContact ND1-CG2 3.38Å; H47-T50 PolarHBondContact ND1-OG1 3.45Å; H47-G51 VanDerWaalsContact O-CA 3.31Å; H47-G51 WeakPolarHBondContact O-CA 3.07Å; H47-G51 PolarHBondContact O-N 2.86Å; H47-T52 PolarHBondContact N-O 2.9Å; H47-S328 PolarHBondContact CE1-OG 3.22Å; H47-L331 HydrophobicContact CB-CD1 3.7Å; H47-L331 WeakPolarHBondContact ND1-CD1 3.22Å
48R95.1Very high91Very high137 Ų13738.6 Ų38.652%0.51723%0.229SC..THydrogen-bonded Turntrans-67.1-40.1-172.4-70.1178.2-178.1-85.510.2113.1H25 A26 Q27 V29 T50H25-R48 PolarHBondContact O-NE 3.11Å; H25-R48 PolarHBondContact O-NH2 3.11Å; A26-R48 VanDerWaalsContact O-CD 3.32Å; A26-R48 WeakPolarHBondContact O-CD 3.42Å; Q27-R48 WeakPolarHBondContact O-CB 3.44Å; Q27-R48 WeakPolarHBondContact O-CG 3.34Å; Q27-R48 PolarHBondContact O-N 2.85Å; V29-R48 HydrophobicContact CG2-CG 4.07Å; R48-T50 VanDerWaalsContact C-N 3.3Å; R48-T50 PolarHBondContact O-N 3.07Å
49L92.5Very high92.1Very high47 Ų4734.7 Ų34.725%0.24619%0.187CC..THydrogen-bonded Turntrans-79.4-4.5-175.6-63-176.8000114.7I306 F308 F356L49-I306 HydrophobicContact CD2-CG2 4.18Å; L49-F308 HydrophobicContact CD1-CE2 3.89Å; L49-F308 HydrophobicContact CD1-CZ 3.8Å; L49-F356 WeakPolarHBondContact O-CE1 3.35Å; L49-F356 WeakPolarHBondContact O-CZ 3.21Å
50T92.2Very high92.9Very high11 Ų1135.1 Ų35.17%0.06718%0.181CC..THydrogen-bonded Turntrans-137.8-4.5-179.964.70000113.3H47 R48 T52 L331 L332 Q335H47-T50 WeakPolarHBondContact ND1-CG2 3.38Å; H47-T50 PolarHBondContact ND1-OG1 3.45Å; R48-T50 VanDerWaalsContact C-N 3.3Å; R48-T50 PolarHBondContact O-N 3.07Å; T50-T52 VanDerWaalsContact CB-OG1 3.28Å; T50-T52 WeakPolarHBondContact CB-OG1 3.49Å; T50-T52 PolarHBondContact O-N 3.18Å; T50-T52 PolarHBondContact O-OG1 2.94Å; T50-T52 WeakPolarHBondContact OG1-CB 3.45Å; T50-T52 PolarHBondContact OG1-N 2.85Å; T50-T52 PolarHBondContact OG1-OG1 2.65Å; T50-L331 HydrophobicContact CG2-CB 4.32Å; T50-L332 HydrophobicContact CG2-CD1 4.43Å; T50-L332 HydrophobicContact CG2-CD2 3.83Å; T50-L332 HydrophobicContact CG2-CG 3.73Å; T50-Q335 PolarHBondContact O-NE2 3.06Å
51G93.1Very high92.9Very high32 Ų3236.7 Ų36.733%0.3319%0.185SC..  trans64.5-0.6-172.700000114.9Q46 H47Q46-G51 VanDerWaalsContact CG-O 3.27Å; Q46-G51 WeakPolarHBondContact CG-O 3.46Å; Q46-G51 PolarHBondContact NE2-O 2.96Å; H47-G51 VanDerWaalsContact O-CA 3.31Å; H47-G51 WeakPolarHBondContact O-CA 3.07Å; H47-G51 PolarHBondContact O-N 2.86Å
52T95Very high92.1Very high24 Ų2441.7 Ų41.715%0.14720%0.198CC..  trans-76.5139.6-170.5-33.50000111.8H47 T50 L331 Q335H47-T52 PolarHBondContact N-O 2.9Å; T50-T52 VanDerWaalsContact CB-OG1 3.28Å; T50-T52 WeakPolarHBondContact CB-OG1 3.49Å; T50-T52 PolarHBondContact O-N 3.18Å; T50-T52 PolarHBondContact O-OG1 2.94Å; T50-T52 WeakPolarHBondContact OG1-CB 3.45Å; T50-T52 PolarHBondContact OG1-N 2.85Å; T50-T52 PolarHBondContact OG1-OG1 2.65Å; T52-L331 HydrophobicContact CG2-CD2 3.89Å; T52-Q335 HydrophobicContact CG2-CG 4.26Å; T52-Q335 PolarHBondContact OG1-NE2 2.68Å; T52-Q335 PolarHBondContact OG1-OE1 3.41Å
53H97Very high90.6Very high89 Ų8943.4 Ų43.441%0.41222%0.222SC..EExtended strand (participates in β ladder)trans-78.3140.8173.4-67.3108.5000112.3L44 A45 L103L44-H53 HydrophobicContact CD1-CB 4.06Å; A45-H53 CarbonylContact O-C 3.48Å; A45-H53 VanDerWaalsContact O-CA 3.31Å; A45-H53 WeakPolarHBondContact O-CA 3.46Å; H53-L103 HydrophobicContact CB-CD2 3.76Å
54V97.5Very high88.8Confident0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-137.8159-178.7-63.40000111.1Y28 A45 V56 L88 I100 L331Y28-V54 HydrophobicContact CD1-CG2 3.8Å; Y28-V54 HydrophobicContact CE1-CG2 3.76Å; A45-V54 HydrophobicContact CB-CG2 3.91Å; A45-V54 PolarHBondContact N-O 3.14Å; A45-V54 PolarHBondContact O-N 2.99Å; V54-V56 HydrophobicContact CG2-CG2 4.07Å; V54-L88 HydrophobicContact CG1-CD1 4.09Å; V54-I100 HydrophobicContact CB-CG2 3.98Å; V54-I100 HydrophobicContact CG1-CG2 4.22Å; V54-I100 HydrophobicContact CG2-CG2 3.86Å; V54-L331 HydrophobicContact CG1-CD1 4.04Å; V54-L331 HydrophobicContact CG1-CD2 3.63Å; V54-L331 HydrophobicContact CG1-CG 4.48Å
55A96.8Very high86.9Confident8 Ų852.4 Ų52.47%0.06625%0.254CS..EExtended strand (participates in β ladder)trans-96.6130.6170.400000110I34 V42 M101 L103I34-A55 HydrophobicContact CD1-CB 4.09Å; V42-A55 HydrophobicContact CG1-CB 4.24Å; A55-M101 HydrophobicContact CB-CB 4.47Å; A55-M101 HydrophobicContact CB-CE 4.26Å; A55-M101 PolarHBondContact N-O 3.44Å; A55-M101 VanDerWaalsContact N-O 3.07Å; A55-M101 PolarHBondContact O-N 3.06Å; A55-L103 HydrophobicContact CB-CD1 4.25Å
56V95.8Very high84.9Confident0 Ų054.8 Ų54.80%027%0.27CS..EExtended strand (participates in β ladder)trans-118.6107.1-178.4-177.90000110.5F24 M30 V42 K43 A45 V54 T58 Y98 L99 I100F24-V56 HydrophobicContact CE2-CG1 3.83Å; F24-V56 HydrophobicContact CE2-CG2 4.17Å; F24-V56 HydrophobicContact CZ-CG1 4.21Å; F24-V56 HydrophobicContact CZ-CG2 4.27Å; M30-V56 HydrophobicContact CE-CB 3.73Å; M30-V56 HydrophobicContact CE-CG1 3.98Å; M30-V56 HydrophobicContact CE-CG2 3.91Å; V42-V56 WeakPolarHBondContact CA-O 3.42Å; K43-V56 PolarHBondContact N-O 3.22Å; K43-V56 PolarHBondContact O-N 3.46Å; A45-V56 HydrophobicContact CB-CG2 3.57Å; V54-V56 HydrophobicContact CG2-CG2 4.07Å; V56-T58 PolarHBondContact O-N 3.39Å; V56-Y98 HydrophobicContact CG1-CD1 3.88Å; V56-L99 WeakPolarHBondContact CA-O 3.38Å; V56-I100 HydrophobicContact CB-CD1 4.5Å; V56-I100 HydrophobicContact CG1-CD1 4.02Å; V56-I100 HydrophobicContact CG2-CD1 3.8Å
57K92.4Very high83.1Confident13 Ų1355.6 Ų55.66%0.05728%0.276CS..EExtended strand (participates in β ladder)trans-81.2109.6170.8-167177.2-166.1-174.10108.8A40 V42 I59 E72 L99 M101 D165A40-K57 HydrophobicContact CB-CD 4.38Å; A40-K57 HydrophobicContact CB-CG 3.89Å; V42-K57 HydrophobicContact CG2-CB 4.33Å; V42-K57 HydrophobicContact CG2-CG 4.15Å; K57-I59 HydrophobicContact CD-CD1 4.37Å; K57-I59 HydrophobicContact CG-CD1 4.46Å; K57-I59 HydrophobicContact CG-CG1 4.2Å; K57-E72 IonicContact NZ-OE1 3.08Å; K57-E72 PolarHBondContact NZ-OE1 2.83Å; K57-E72 IonicContact NZ-OE2 3.92Å; K57-E72 PolarHBondContact NZ-OE2 3.06Å; K57-L99 HydrophobicContact CB-CB 4.2Å; K57-L99 HydrophobicContact CD-CD1 4.44Å; K57-L99 PolarHBondContact N-O 3.13Å; K57-L99 PolarHBondContact O-N 3.18Å; K57-M101 HydrophobicContact CB-CE 3.94Å; K57-D165 IonicContact NZ-OD1 2.72Å; K57-D165 PolarHBondContact NZ-OD1 3.11Å
58T90.6Very high81.5Confident13 Ų1358.3 Ų58.38%0.0829%0.29CS..EExtended strand (participates in β ladder)trans-94.4119.9178.1-57.60000110A40 T41 V56 K96 Y98A40-T58 WeakPolarHBondContact CA-O 3.31Å; T41-T58 PolarHBondContact N-O 3.44Å; T41-T58 PolarHBondContact O-N 3.41Å; V56-T58 PolarHBondContact O-N 3.39Å; T58-K96 HydrophobicContact CG2-CD 3.9Å; T58-Y98 HydrophobicContact CG2-CD1 4.11Å; T58-Y98 HydrophobicContact CG2-CE1 3.85Å
59I84.8Confident79.9Confident6 Ų652.9 Ų52.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-117.2131.9-176.4-53.1179.7000109.3A40 K57 I69 K96 V97 L99A40-I59 HydrophobicContact CB-CG1 4.17Å; K57-I59 HydrophobicContact CD-CD1 4.37Å; K57-I59 HydrophobicContact CG-CD1 4.46Å; K57-I59 HydrophobicContact CG-CG1 4.2Å; I59-I69 HydrophobicContact CD1-CG2 3.99Å; I59-I69 HydrophobicContact CG2-CB 4.44Å; I59-I69 HydrophobicContact CG2-CD1 3.38Å; I59-I69 HydrophobicContact CG2-CG1 3.63Å; I59-I69 HydrophobicContact CG2-CG2 3.93Å; I59-K96 CarbonylContact O-C 3.55Å; I59-K96 VanDerWaalsContact O-CA 3.22Å; I59-K96 WeakPolarHBondContact O-CA 3.38Å; I59-K96 WeakPolarHBondContact O-CB 3.48Å; I59-V97 HydrophobicContact CB-CB 4.48Å; I59-V97 PolarHBondContact N-O 2.79Å; I59-V97 PolarHBondContact O-N 3.22Å; I59-L99 HydrophobicContact CD1-CD1 3.9Å; I59-L99 HydrophobicContact CD1-CG 4.2Å
60Q82.5Confident78.6Confident96 Ų9653.5 Ų53.545%0.44927%0.273SS..EExtended strand (participates in β ladder)trans-86.8130.5176.7-61.8-169.611.500111.1R62Q60-R62 HydrophobicContact CB-CG 4.35Å; Q60-R62 PolarHBondContact O-N 3.14Å; Q60-R62 VanDerWaalsContact O-N 3.14Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å
61K79.6Confident77.9Confident47 Ų4754.5 Ų54.520%0.20428%0.281CS..  trans-75.5102.1172-67.1178.6169.6-177.10109.7E92 T93 K95 V97K61-E92 WeakPolarHBondContact CE-OE1 3.45Å; K61-E92 VanDerWaalsContact NZ-CD 3.34Å; K61-E92 IonicContact NZ-OE1 2.62Å; K61-E92 PolarHBondContact NZ-OE1 3.22Å; K61-T93 WeakPolarHBondContact CE-O 3.27Å; K61-T93 PolarHBondContact NZ-O 2.95Å; K61-K95 WeakPolarHBondContact CB-O 3.31Å; K61-K95 PolarHBondContact N-O 3.36Å; K61-V97 HydrophobicContact CG-CG2 4.22Å
62R71.1Confident77.3Confident159 Ų15953.4 Ų53.460%0.627%0.267SS*.  trans-129.8119.2173-61.7-174.6-177-156.61109.1Q60 W65Q60-R62 HydrophobicContact CB-CG 4.35Å; Q60-R62 PolarHBondContact O-N 3.14Å; Q60-R62 VanDerWaalsContact O-N 3.14Å; Q60-R62 VanDerWaalsContact OE1-CZ 3.29Å; R62-W65 VanDerWaalsContact O-CB 3.3Å; R62-W65 WeakPolarHBondContact O-CB 3.14Å; R62-W65 PolarHBondContact O-N 3.1Å
63G62.5Low76.7Confident70 Ų7052.5 Ų52.572%0.72226%0.262SS*.G310 helixtrans41-134.5167.300000117W65 C66G63-W65 PolarHBondContact O-N 2.92Å; G63-W65 VanDerWaalsContact O-N 3.14Å; G63-C66 PolarHBondContact O-N 2.79Å
64Y56.5Low76.1Confident178 Ų17851.4 Ų51.470%0.69826%0.259SS*.G310 helixtrans-60.8-19.6-175.2-172.4-102.3000114.7C66 I67Y64-C66 PolarHBondContact O-N 2.97Å; Y64-I67 HydrophobicContact CD2-CD1 4.04Å; Y64-I67 HydrophobicContact CE1-CD1 4.49Å; Y64-I67 HydrophobicContact CE2-CD1 3.51Å; Y64-I67 PolarHBondContact O-N 2.89Å
65W57.1Low75.6Confident97 Ų9751.6 Ų51.637%0.36726%0.26SS..G310 helixtrans-57.8-21179.6-62.494.7000113.4R62 G63 I67 L68 I69 C436R62-W65 VanDerWaalsContact O-CB 3.3Å; R62-W65 WeakPolarHBondContact O-CB 3.14Å; R62-W65 PolarHBondContact O-N 3.1Å; G63-W65 PolarHBondContact O-N 2.92Å; G63-W65 VanDerWaalsContact O-N 3.14Å; W65-I67 PolarHBondContact O-N 3.1Å; W65-I67 VanDerWaalsContact O-N 3.1Å; W65-L68 HydrophobicContact CE3-CD1 4.18Å; W65-L68 HydrophobicContact CZ3-CD1 4.22Å; W65-L68 PolarHBondContact O-N 2.83Å; W65-I69 HydrophobicContact CB-CD1 4.01Å; W65-I69 WeakPolarHBondContact O-CD1 3.39Å; W65-I69 VanDerWaalsContact O-CG1 3.22Å; W65-I69 WeakPolarHBondContact O-CG1 3.3Å; W65-I69 PolarHBondContact O-N 3.3Å; W65-I69 VanDerWaalsContact O-N 3.12Å; W65-C436 HydrophobicContact CH2-CB 4.38Å; W65-C436 HydrophobicContact CZ2-CB 3.62Å; W65-C436 WeakPolarHBondContact CZ2-SG 3.44Å
66C56.5Low75.2Confident50 Ų5051.2 Ų51.234%0.33826%0.257SS..Hα-helixtrans-47.5-37172.6-740000113.6G63 Y64 I69 M70G63-C66 PolarHBondContact O-N 2.79Å; Y64-C66 PolarHBondContact O-N 2.97Å; C66-I69 PolarHBondContact O-N 3.18Å; C66-M70 HydrophobicContact CB-SD 4.18Å; C66-M70 VanDerWaalsContact O-CB 3.26Å; C66-M70 WeakPolarHBondContact O-CB 3.48Å; C66-M70 WeakPolarHBondContact O-CG 3.36Å; C66-M70 PolarHBondContact O-N 3.01Å; C66-M70 VanDerWaalsContact O-SD 3.39Å
67I60.4Low74.8Confident91 Ų9153.8 Ų53.847%0.46727%0.27SS..Hα-helixtrans-65.8-45.5-177.4-61.9176.2000112Y64 W65 S71Y64-I67 HydrophobicContact CD2-CD1 4.04Å; Y64-I67 HydrophobicContact CE1-CD1 4.49Å; Y64-I67 HydrophobicContact CE2-CD1 3.51Å; Y64-I67 PolarHBondContact O-N 2.89Å; W65-I67 PolarHBondContact O-N 3.1Å; W65-I67 VanDerWaalsContact O-N 3.1Å; I67-S71 WeakPolarHBondContact O-CB 3.28Å; I67-S71 PolarHBondContact O-N 3.21Å; I67-S71 PolarHBondContact O-OG 3.3Å
68L62.9Low74.5Confident56 Ų5656.4 Ų56.429%0.29328%0.283SS..Hα-helixtrans-68.5-39.7177.7-66.6176.2000111.3W65 S71 E72W65-L68 HydrophobicContact CE3-CD1 4.18Å; W65-L68 HydrophobicContact CZ3-CD1 4.22Å; W65-L68 PolarHBondContact O-N 2.83Å; L68-S71 WeakPolarHBondContact O-CB 3.28Å; L68-S71 PolarHBondContact O-N 3.18Å; L68-E72 PolarHBondContact O-N 2.84Å
69I60.7Low74.3Confident23 Ų2356.2 Ų56.212%0.11828%0.283CS..Hα-helixtrans-65.4-45.4179.3-61.3163.6000111.1I59 W65 C66 S71 E72 V73I59-I69 HydrophobicContact CD1-CG2 3.99Å; I59-I69 HydrophobicContact CG2-CB 4.44Å; I59-I69 HydrophobicContact CG2-CD1 3.38Å; I59-I69 HydrophobicContact CG2-CG1 3.63Å; I59-I69 HydrophobicContact CG2-CG2 3.93Å; W65-I69 HydrophobicContact CB-CD1 4.01Å; W65-I69 WeakPolarHBondContact O-CD1 3.39Å; W65-I69 VanDerWaalsContact O-CG1 3.22Å; W65-I69 WeakPolarHBondContact O-CG1 3.3Å; W65-I69 PolarHBondContact O-N 3.3Å; W65-I69 VanDerWaalsContact O-N 3.12Å; C66-I69 PolarHBondContact O-N 3.18Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.05Å; I69-E72 PolarHBondContact O-N 3.41Å; I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 2.93Å
70M65.2Low74.4Confident60 Ų6057.5 Ų57.530%0.29629%0.29SS..Hα-helixtrans-63.8-36.3176.4-69162.97700110.7C66 V73 D74 W472C66-M70 HydrophobicContact CB-SD 4.18Å; C66-M70 VanDerWaalsContact O-CB 3.26Å; C66-M70 WeakPolarHBondContact O-CB 3.48Å; C66-M70 WeakPolarHBondContact O-CG 3.36Å; C66-M70 PolarHBondContact O-N 3.01Å; C66-M70 VanDerWaalsContact O-SD 3.39Å; M70-V73 PolarHBondContact O-N 3.12Å; M70-D74 WeakPolarHBondContact O-CB 3.46Å; M70-D74 PolarHBondContact O-N 2.86Å; M70-W472 VanDerWaalsContact CE-CD1 3.49Å; M70-W472 HydrophobicContact CE-CD2 3.75Å; M70-W472 VanDerWaalsContact CE-CE2 3.44Å; M70-W472 HydrophobicContact CE-CG 3.77Å; M70-W472 HydrophobicContact CE-CZ2 4.03Å; M70-W472 VanDerWaalsContact CE-NE1 3.3Å; M70-W472 HydrophobicContact CG-CZ2 4.44Å
71S77Confident74.9Confident33 Ų3353.2 Ų53.223%0.23127%0.27CS..Hα-helixtrans-60.7-48.7172.5-56.10000111.5I67 L68 I69 V73 D74 L75I67-S71 WeakPolarHBondContact O-CB 3.28Å; I67-S71 PolarHBondContact O-N 3.21Å; I67-S71 PolarHBondContact O-OG 3.3Å; L68-S71 WeakPolarHBondContact O-CB 3.28Å; L68-S71 PolarHBondContact O-N 3.18Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.05Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 2.93Å; S71-D74 PolarHBondContact O-N 2.87Å; S71-L75 VanDerWaalsContact O-CB 3.26Å; S71-L75 WeakPolarHBondContact O-CB 3.38Å; S71-L75 WeakPolarHBondContact O-CD1 3.37Å; S71-L75 WeakPolarHBondContact O-CG 3.49Å; S71-L75 PolarHBondContact O-N 2.87Å
72E81.5Confident75.5Confident8 Ų851.3 Ų51.34%0.03726%0.262CS..Hα-helixtrans-58.7-44.4175.5177.6171.9-16100112.2K57 L68 I69 L75 L76 L99 F166 G167K57-E72 IonicContact NZ-OE1 3.08Å; K57-E72 PolarHBondContact NZ-OE1 2.83Å; K57-E72 IonicContact NZ-OE2 3.92Å; K57-E72 PolarHBondContact NZ-OE2 3.06Å; L68-E72 PolarHBondContact O-N 2.84Å; I69-E72 PolarHBondContact O-N 3.41Å; E72-L75 PolarHBondContact O-N 3.37Å; E72-L76 HydrophobicContact CG-CD1 3.83Å; E72-L76 HydrophobicContact CG-CG 4.36Å; E72-L76 WeakPolarHBondContact O-CB 3.36Å; E72-L76 WeakPolarHBondContact O-CG 3.26Å; E72-L76 PolarHBondContact O-N 2.86Å; E72-L99 HydrophobicContact CG-CD1 4.31Å; E72-F166 HydrophobicContact CG-CB 4.24Å; E72-G167 PolarHBondContact OE1-N 3.32Å; E72-G167 VanDerWaalsContact OE2-CA 3.31Å; E72-G167 WeakPolarHBondContact OE2-CA 2.94Å
73V82.5Confident76.6Confident5 Ų543.9 Ų43.93%0.0323%0.234CC..Hα-helixtrans-61.7-53.5178.9172.90000111.3I69 M70 S71 L75 L76 M77 V90 L99I69-V73 WeakPolarHBondContact O-CG2 3.43Å; I69-V73 PolarHBondContact O-N 2.93Å; M70-V73 PolarHBondContact O-N 3.12Å; S71-V73 VanDerWaalsContact C-N 3.34Å; S71-V73 PolarHBondContact O-N 2.93Å; V73-L75 VanDerWaalsContact C-N 3.26Å; V73-L75 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 3.34Å; V73-M77 HydrophobicContact CG1-CG 4.27Å; V73-M77 HydrophobicContact CG1-SD 3.6Å; V73-M77 WeakPolarHBondContact O-CB 3.29Å; V73-M77 WeakPolarHBondContact O-CG 3.44Å; V73-M77 PolarHBondContact O-N 2.97Å; V73-V90 HydrophobicContact CG1-CG2 4.21Å; V73-L99 HydrophobicContact CG2-CD1 4.25Å; V73-L99 HydrophobicContact CG2-CD2 3.59Å
74D83.6Confident78.2Confident67 Ų6740.6 Ų40.636%0.35820%0.2SC..Hα-helixtrans-59.6-39.8-179.2-67.4-20.6000110.8M70 S71 M77 M78M70-D74 WeakPolarHBondContact O-CB 3.46Å; M70-D74 PolarHBondContact O-N 2.86Å; S71-D74 PolarHBondContact O-N 2.87Å; D74-M77 PolarHBondContact O-N 3.27Å; D74-M78 VanDerWaalsContact O-CE 3.25Å; D74-M78 WeakPolarHBondContact O-CE 3.26Å; D74-M78 WeakPolarHBondContact O-CG 3.49Å; D74-M78 PolarHBondContact O-N 2.92Å
75L88.7Confident80Confident3 Ų332.5 Ų32.52%0.01617%0.169CC..Hα-helixtrans-65.4-47.7177.7-69.3171.1000112.5S71 E72 V73 M77 M78 A79 I143 K171S71-L75 VanDerWaalsContact O-CB 3.26Å; S71-L75 WeakPolarHBondContact O-CB 3.38Å; S71-L75 WeakPolarHBondContact O-CD1 3.37Å; S71-L75 WeakPolarHBondContact O-CG 3.49Å; S71-L75 PolarHBondContact O-N 2.87Å; E72-L75 PolarHBondContact O-N 3.37Å; V73-L75 VanDerWaalsContact C-N 3.26Å; V73-L75 PolarHBondContact O-N 2.95Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 2.86Å; L75-M78 HydrophobicContact CD2-CE 3.91Å; L75-M78 PolarHBondContact O-N 3.22Å; L75-A79 PolarHBondContact O-N 3.12Å; L75-I143 HydrophobicContact CD1-CG2 4.43Å; L75-I143 HydrophobicContact CD2-CB 4.11Å; L75-I143 HydrophobicContact CD2-CD1 3.78Å; L75-I143 HydrophobicContact CD2-CG1 3.55Å; L75-I143 HydrophobicContact CD2-CG2 3.77Å; L75-K171 HydrophobicContact CD2-CB 4.29Å
76L88.3Confident81.7Confident1 Ų129.8 Ų29.81%0.00517%0.165CC..Hα-helixtrans-67.7-29.6176.7-73.1175.4000112.6E72 V73 I85 L87 L99 F166E72-L76 HydrophobicContact CG-CD1 3.83Å; E72-L76 HydrophobicContact CG-CG 4.36Å; E72-L76 WeakPolarHBondContact O-CB 3.36Å; E72-L76 WeakPolarHBondContact O-CG 3.26Å; E72-L76 PolarHBondContact O-N 2.86Å; V73-L76 PolarHBondContact O-N 3.34Å; L76-I85 HydrophobicContact CD2-CG2 3.82Å; L76-L87 HydrophobicContact CB-CB 4.14Å; L76-L87 HydrophobicContact CB-CD2 3.99Å; L76-L99 HydrophobicContact CD1-CD1 4.15Å; L76-F166 HydrophobicContact CD2-CB 4.27Å; L76-F166 HydrophobicContact CD2-CD2 3.77Å; L76-F166 HydrophobicContact CD2-CE2 4.41Å; L76-F166 HydrophobicContact CD2-CG 4.09Å; L76-F166 HydrophobicContact CG-CB 4.34Å
77M87.3Confident83.5Confident54 Ų5427.9 Ų27.927%0.26615%0.151SC..Hα-helixtrans-69.4-36.2173.4-72174.475.800112.3V73 D74 L75 L87 R320 F322V73-M77 HydrophobicContact CG1-CG 4.27Å; V73-M77 HydrophobicContact CG1-SD 3.6Å; V73-M77 WeakPolarHBondContact O-CB 3.29Å; V73-M77 WeakPolarHBondContact O-CG 3.44Å; V73-M77 PolarHBondContact O-N 2.97Å; D74-M77 PolarHBondContact O-N 3.27Å; L75-M77 VanDerWaalsContact C-N 3.31Å; L75-M77 PolarHBondContact O-N 2.86Å; M77-L87 HydrophobicContact CG-CD2 3.63Å; M77-R320 PolarHBondContact O-NE 2.79Å; M77-R320 PolarHBondContact O-NH2 2.98Å; M77-F322 HydrophobicContact CB-CD2 4.13Å; M77-F322 HydrophobicContact CB-CE2 3.56Å; M77-F322 HydrophobicContact CB-CZ 4Å; M77-F322 HydrophobicContact CE-CD2 3.52Å; M77-F322 HydrophobicContact CE-CE2 3.98Å; M77-F322 HydrophobicContact CE-CG 4.49Å; M77-F322 HydrophobicContact CG-CD2 3.61Å; M77-F322 HydrophobicContact CG-CE2 3.57Å; M77-F322 HydrophobicContact CG-CG 4.19Å; M77-F322 HydrophobicContact CG-CZ 4.13Å; M77-F322 WeakPolarHBondContact O-CZ 3.4Å; M77-F322 HydrophobicContact SD-CD2 4.3Å
78M84.8Confident85.1Confident68 Ų6824.1 Ų24.134%0.33513%0.132SC..Hα-helixtrans-74.7-27.9174.7-72.7-177.9-69.100113.2D74 L75 Y137 K171D74-M78 VanDerWaalsContact O-CE 3.25Å; D74-M78 WeakPolarHBondContact O-CE 3.26Å; D74-M78 WeakPolarHBondContact O-CG 3.49Å; D74-M78 PolarHBondContact O-N 2.92Å; L75-M78 HydrophobicContact CD2-CE 3.91Å; L75-M78 PolarHBondContact O-N 3.22Å; M78-Y137 PolarHBondContact O-OH 3.45Å; M78-K171 HydrophobicContact CE-CD 4.2Å; M78-K171 PolarHBondContact SD-NZ 3.3Å
79A86.4Confident86.6Confident9 Ų921.8 Ų21.87%0.07412%0.119CC..  trans-70.3128.4-176.400000112.9L75 V84 Y137 R320L75-A79 PolarHBondContact O-N 3.12Å; A79-V84 HydrophobicContact CB-CG1 3.96Å; A79-Y137 WeakPolarHBondContact CA-OH 3.48Å; A79-R320 PolarHBondContact O-NH2 3.31Å
80D87.7Confident88.2Confident33 Ų3322.5 Ų22.518%0.17613%0.125CC..  trans-147.292.5170.8-158-7.6000108.2Y137 R320D80-Y137 PolarHBondContact N-OH 3.5Å; D80-Y137 WeakPolarHBondContact O-CE2 3.44Å; D80-R320 VanDerWaalsContact CG-NH1 3.35Å; D80-R320 IonicContact OD2-CZ 2.61Å; D80-R320 IonicContact OD2-NH1 2.65Å; D80-R320 PolarHBondContact OD2-NH1 2.68Å
81H92.4Very high89.5Confident6 Ų620.4 Ų20.43%0.02811%0.114CC..  trans-156.6136.6-177.1-175.6-83.1000109.7N83 V84 S133 A134 Y137H81-N83 WeakPolarHBondContact CE1-CB 3.41Å; H81-N83 PolarHBondContact CE1-OD1 3.14Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 3.05Å; H81-N83 VanDerWaalsContact O-N 3.09Å; H81-V84 HydrophobicContact CB-CB 4.22Å; H81-V84 HydrophobicContact CB-CG2 4.01Å; H81-V84 PolarHBondContact O-N 2.87Å; H81-S133 WeakPolarHBondContact CE1-CB 3.31Å; H81-S133 PolarHBondContact CE1-OG 3.43Å; H81-S133 WeakPolarHBondContact NE2-CB 3.47Å; H81-S133 PolarHBondContact NE2-O 3.01Å; H81-S133 PolarHBondContact NE2-OG 3.43Å; H81-A134 PolarHBondContact CE1-N 3.3Å; H81-Y137 HydrophobicContact CB-CD1 3.78Å; H81-Y137 HydrophobicContact CB-CD2 4.31Å; H81-Y137 HydrophobicContact CB-CE1 4.01Å; H81-Y137 HydrophobicContact CB-CE2 4.5Å; H81-Y137 HydrophobicContact CB-CG 3.96Å; H81-Y137 AromaticContact CD2-CG 3.76Å
82P92.6Very high90Very high7 Ų722.6 Ų22.65%0.04512%0.121CC..THydrogen-bonded Turntrans-60.1-26.8-173.320.4-33.3000114.6K160 K162 E289P82-K160 WeakPolarHBondContact O-CE 3.38Å; P82-K162 WeakPolarHBondContact O-CE 3.39Å; P82-K162 PolarHBondContact O-NZ 2.98Å; P82-E289 WeakPolarHBondContact CA-OE2 3.3Å; P82-E289 HydrophobicContact CB-CB 4.16Å; P82-E289 HydrophobicContact CB-CG 4.34Å; P82-E289 VanDerWaalsContact CB-OE2 3.28Å; P82-E289 WeakPolarHBondContact CB-OE2 3.4Å
83N95.3Very high90.4Very high2 Ų224.1 Ų24.11%0.01113%0.131CC..THydrogen-bonded Turntrans-101.615.2-179.7-53.8120.4000113.7H81 Q130 A134 V161 K162 I163H81-N83 WeakPolarHBondContact CE1-CB 3.41Å; H81-N83 PolarHBondContact CE1-OD1 3.14Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 3.05Å; H81-N83 VanDerWaalsContact O-N 3.09Å; N83-Q130 PolarHBondContact ND2-OE1 2.88Å; N83-A134 HydrophobicContact CB-CB 3.92Å; N83-V161 WeakPolarHBondContact CA-O 3.45Å; N83-V161 VanDerWaalsContact CB-O 3.32Å; N83-V161 WeakPolarHBondContact CB-O 3.47Å; N83-V161 PolarHBondContact ND2-O 3.33Å; N83-K162 CarbonylContact O-C 3.6Å; N83-K162 WeakPolarHBondContact O-CA 3.41Å; N83-I163 PolarHBondContact O-N 2.85Å
84V94.8Very high90.5Very high2 Ų233.7 Ų33.71%0.01217%0.172CC..BIsolated β-bridgetrans-115148.2167.9177.90000108.9A79 H81 S86 A134 F166A79-V84 HydrophobicContact CB-CG1 3.96Å; H81-V84 HydrophobicContact CB-CB 4.22Å; H81-V84 HydrophobicContact CB-CG2 4.01Å; H81-V84 PolarHBondContact O-N 2.87Å; V84-S86 PolarHBondContact O-N 2.77Å; V84-A134 HydrophobicContact CG2-CB 4.02Å; V84-F166 HydrophobicContact CG1-CE2 3.71Å; V84-F166 HydrophobicContact CG1-CZ 3.62Å; V84-F166 HydrophobicContact CG2-CZ 4.44Å
85I94.3Very high90.6Very high7 Ų738.6 Ų38.64%0.03619%0.19CC..PPolyproline II helixtrans-65.3123.7178.8-168.271.7000112.1L76 M101 E102 I163 I164 F166L76-I85 HydrophobicContact CD2-CG2 3.82Å; I85-M101 HydrophobicContact CG1-CB 4.11Å; I85-M101 HydrophobicContact CG1-SD 4.31Å; I85-E102 HydrophobicContact CD1-CG 3.45Å; I85-E102 VanDerWaalsContact CD1-CG 3.45Å; I85-E102 HydrophobicContact CG1-CG 4.23Å; I85-I163 WeakPolarHBondContact CB-O 3.29Å; I85-I163 PolarHBondContact N-O 2.67Å; I85-I164 HydrophobicContact CB-CG2 4.13Å; I85-I164 HydrophobicContact CD1-CG2 4.08Å; I85-I164 HydrophobicContact CG1-CG2 4.34Å; I85-F166 HydrophobicContact CG2-CD2 4.4Å; I85-F166 HydrophobicContact CG2-CE2 4.39Å
86S92.8Very high90.6Very high41 Ų4142 Ų4229%0.28721%0.205SC..PPolyproline II helixtrans-75.4125.6177.8-52.20000112.3V84 M101 E102V84-S86 PolarHBondContact O-N 2.77Å; S86-M101 VanDerWaalsContact O-CA 3.32Å; S86-M101 WeakPolarHBondContact O-CA 3.31Å; S86-E102 PolarHBondContact N-OE1 2.99Å; S86-E102 PolarHBondContact O-N 2.86Å; S86-E102 PolarHBondContact OG-OE1 2.99Å; S86-E102 VanDerWaalsContact OG-OE1 3.1Å
87L94.2Very high90.6Very high9 Ų942.7 Ų42.75%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-80.5131.5164.6-176.269.9000109.5L76 M77 V90 L99 M101 F322L76-L87 HydrophobicContact CB-CB 4.14Å; L76-L87 HydrophobicContact CB-CD2 3.99Å; M77-L87 HydrophobicContact CG-CD2 3.63Å; L87-V90 HydrophobicContact CD1-CG2 4.38Å; L87-V90 HydrophobicContact CD2-CG2 3.86Å; L87-V90 HydrophobicContact CG-CG2 4.47Å; L87-L99 HydrophobicContact CD1-CB 3.91Å; L87-M101 HydrophobicContact CD1-CG 4.33Å; L87-F322 HydrophobicContact CB-CD1 4.17Å; L87-F322 HydrophobicContact CB-CE1 3.95Å; L87-F322 HydrophobicContact CD2-CD1 3.79Å; L87-F322 HydrophobicContact CD2-CE1 4Å; L87-F322 HydrophobicContact CD2-CG 4.23Å; L87-F322 HydrophobicContact CG-CD1 3.77Å; L87-F322 HydrophobicContact CG-CE1 4.05Å; L87-F322 VanDerWaalsContact O-CE1 3.28Å; L87-F322 WeakPolarHBondContact O-CE1 3.06Å
88L94.3Very high90.8Very high12 Ų1240.9 Ų40.96%0.06320%0.2CC..EExtended strand (participates in β ladder)trans-104.9-43.7-178-57.1176.2000111.3V54 I100 A327 C330 L331V54-L88 HydrophobicContact CG1-CD1 4.09Å; L88-I100 HydrophobicContact CB-CG2 4.43Å; L88-I100 WeakPolarHBondContact CB-O 3.48Å; L88-I100 PolarHBondContact N-O 3.27Å; L88-A327 HydrophobicContact CB-CB 4.06Å; L88-C330 HydrophobicContact CD2-CB 3.84Å; L88-L331 HydrophobicContact CD1-CD2 3.67Å; L88-L331 HydrophobicContact CD1-CG 4.12Å
89Q95.1Very high91.2Very high8 Ų837.7 Ų37.74%0.03718%0.184CC..EExtended strand (participates in β ladder)trans-154.6149.6-179.2172.9176.112.900112Y28 I91 I100 F322 A327Y28-Q89 PolarHBondContact OH-OE1 3.34Å; Y28-Q89 VanDerWaalsContact OH-OE1 3.07Å; Q89-I91 HydrophobicContact CG-CD1 4.44Å; Q89-I91 HydrophobicContact CG-CG1 3.84Å; Q89-I100 HydrophobicContact CB-CB 4.08Å; Q89-I100 HydrophobicContact CB-CG1 3.91Å; Q89-I100 HydrophobicContact CG-CG1 4.27Å; Q89-I100 PolarHBondContact N-O 3.48Å; Q89-I100 WeakPolarHBondContact O-CB 3.43Å; Q89-I100 PolarHBondContact O-N 2.94Å; Q89-F322 CarbonylContact C-O 3.58Å; Q89-F322 VanDerWaalsContact CA-O 3.29Å; Q89-F322 WeakPolarHBondContact CA-O 3.31Å; Q89-F322 WeakPolarHBondContact CG-O 3.46Å; Q89-A327 HydrophobicContact CB-CB 3.78Å
90V92.8Very high91.7Very high37 Ų3737.2 Ų37.222%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-111.3124.8167.8-176.80000108.8V73 L87 V97 L99 F322V73-V90 HydrophobicContact CG1-CG2 4.21Å; L87-V90 HydrophobicContact CD1-CG2 4.38Å; L87-V90 HydrophobicContact CD2-CG2 3.86Å; L87-V90 HydrophobicContact CG-CG2 4.47Å; V90-V97 HydrophobicContact CG1-CG1 3.93Å; V90-L99 HydrophobicContact CG1-CD2 4.15Å; V90-L99 HydrophobicContact CG2-CD2 4.22Å; V90-F322 HydrophobicContact CG2-CB 4.3Å; V90-F322 PolarHBondContact N-O 3.44Å
91I92.8Very high92Very high16 Ų1636.5 Ų36.58%0.08218%0.176CC..EExtended strand (participates in β ladder)trans-113.9115172.7-55.3-177.1000109.1F24 Y28 Q89 Y98 I100F24-I91 HydrophobicContact CB-CG2 4.32Å; F24-I91 HydrophobicContact CD2-CD1 4.1Å; Y28-I91 HydrophobicContact CD2-CD1 4.05Å; Y28-I91 HydrophobicContact CE2-CD1 3.9Å; Q89-I91 HydrophobicContact CG-CD1 4.44Å; Q89-I91 HydrophobicContact CG-CG1 3.84Å; I91-Y98 PolarHBondContact N-O 3.21Å; I91-Y98 PolarHBondContact O-N 2.98Å; I91-I100 HydrophobicContact CD1-CD1 4.47Å
92E88.5Confident92.1Very high80 Ų8036.7 Ų36.737%0.37418%0.177SC..EExtended strand (participates in β ladder)trans-103123.6-179.9-170.7177.9177.700111K61 V97K61-E92 WeakPolarHBondContact CE-OE1 3.45Å; K61-E92 VanDerWaalsContact NZ-CD 3.34Å; K61-E92 IonicContact NZ-OE1 2.62Å; K61-E92 PolarHBondContact NZ-OE1 3.22Å; E92-V97 HydrophobicContact CG-CG2 4.47Å
93T88.5Confident92.3Very high39 Ų3938.1 Ų38.124%0.23918%0.184CC..  trans-113.9171.9173.267.50000110.4K61 K95 K96 Y98K61-T93 WeakPolarHBondContact CE-O 3.27Å; K61-T93 PolarHBondContact NZ-O 2.95Å; T93-K95 PolarHBondContact O-N 3.32Å; T93-K95 VanDerWaalsContact O-N 3.11Å; T93-K96 PolarHBondContact N-O 3.09Å; T93-K96 PolarHBondContact OG1-N 3.19Å; T93-K96 PolarHBondContact OG1-O 2.95Å; T93-Y98 HydrophobicContact CG2-CD2 4.37Å; T93-Y98 HydrophobicContact CG2-CE2 3.86Å
94K86Confident92.2Very high206 Ų20638.9 Ų38.990%0.89619%0.189SC*.SBendtrans-54.5-31.2176.2-67-178.8-179175.10113.7
95K85.7Confident92Very high170 Ų17043.3 Ų43.374%0.73921%0.209SC*.SBendtrans-116.4-17.6-172.9-63.3-174.5179-178.10115.3K61 T93K61-K95 WeakPolarHBondContact CB-O 3.31Å; K61-K95 PolarHBondContact N-O 3.36Å; T93-K95 PolarHBondContact O-N 3.32Å; T93-K95 VanDerWaalsContact O-N 3.11Å
96K87.7Confident91.9Very high75 Ų7543.8 Ų43.833%0.32622%0.216SC..EExtended strand (participates in β ladder)trans-142.4153.1-171.5-65.4174.6177.4178.70112T58 I59 T93 Y98T58-K96 HydrophobicContact CG2-CD 3.9Å; I59-K96 CarbonylContact O-C 3.55Å; I59-K96 VanDerWaalsContact O-CA 3.22Å; I59-K96 WeakPolarHBondContact O-CA 3.38Å; I59-K96 WeakPolarHBondContact O-CB 3.48Å; T93-K96 PolarHBondContact N-O 3.09Å; T93-K96 PolarHBondContact OG1-N 3.19Å; T93-K96 PolarHBondContact OG1-O 2.95Å; K96-Y98 HydrophobicContact CB-CD2 4.35Å; K96-Y98 HydrophobicContact CB-CE2 3.8Å; K96-Y98 HydrophobicContact CD-CE1 4.48Å; K96-Y98 HydrophobicContact CD-CE2 4.21Å; K96-Y98 WeakPolarHBondContact CD-OH 3.05Å
97V88.4Confident92Very high15 Ų1547.4 Ų47.49%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-110.6135.9161.8-175.20000107.3I59 K61 V90 E92 L99I59-V97 HydrophobicContact CB-CB 4.48Å; I59-V97 PolarHBondContact N-O 2.79Å; I59-V97 PolarHBondContact O-N 3.22Å; K61-V97 HydrophobicContact CG-CG2 4.22Å; V90-V97 HydrophobicContact CG1-CG1 3.93Å; E92-V97 HydrophobicContact CG-CG2 4.47Å; V97-L99 HydrophobicContact CG1-CD2 3.7Å
98Y92.2Very high92.1Very high17 Ų1747.6 Ų47.67%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-115.2120.8173.8-59.9-98.5000108.1F24 V56 T58 I91 T93 K96F24-Y98 HydrophobicContact CB-CD2 4.33Å; F24-Y98 HydrophobicContact CB-CE2 4.17Å; F24-Y98 HydrophobicContact CD1-CE1 4.2Å; F24-Y98 AromaticContact CD2-CD1 3.69Å; F24-Y98 HydrophobicContact CD2-CD1 3.69Å; F24-Y98 HydrophobicContact CD2-CD2 4.29Å; F24-Y98 HydrophobicContact CD2-CE1 4.1Å; F24-Y98 AromaticContact CD2-CG 3.77Å; F24-Y98 HydrophobicContact CD2-CG 3.77Å; F24-Y98 AromaticContact CE2-CD1 3.96Å; F24-Y98 HydrophobicContact CE2-CD1 3.96Å; F24-Y98 HydrophobicContact CE2-CE1 4.48Å; F24-Y98 HydrophobicContact CE2-CG 4.36Å; F24-Y98 HydrophobicContact CG-CD1 4.06Å; F24-Y98 HydrophobicContact CG-CD2 4.44Å; F24-Y98 AromaticContact CG-CE1 3.99Å; F24-Y98 HydrophobicContact CG-CE1 3.99Å; F24-Y98 HydrophobicContact CG-CE2 4.42Å; F24-Y98 HydrophobicContact CG-CG 4.27Å; V56-Y98 HydrophobicContact CG1-CD1 3.88Å; T58-Y98 HydrophobicContact CG2-CD1 4.11Å; T58-Y98 HydrophobicContact CG2-CE1 3.85Å; I91-Y98 PolarHBondContact N-O 3.21Å; I91-Y98 PolarHBondContact O-N 2.98Å; T93-Y98 HydrophobicContact CG2-CD2 4.37Å; T93-Y98 HydrophobicContact CG2-CE2 3.86Å; K96-Y98 HydrophobicContact CB-CD2 4.35Å; K96-Y98 HydrophobicContact CB-CE2 3.8Å; K96-Y98 HydrophobicContact CD-CE1 4.48Å; K96-Y98 HydrophobicContact CD-CE2 4.21Å; K96-Y98 WeakPolarHBondContact CD-OH 3.05Å
99L92.9Very high92.2Very high0 Ų047.1 Ų47.10%023%0.226CC..EExtended strand (participates in β ladder)trans-98111.4172.2-46.4-174.7000107.4V56 K57 I59 E72 V73 L76 L87 V90 V97 M101V56-L99 WeakPolarHBondContact CA-O 3.38Å; K57-L99 HydrophobicContact CB-CB 4.2Å; K57-L99 HydrophobicContact CD-CD1 4.44Å; K57-L99 PolarHBondContact N-O 3.13Å; K57-L99 PolarHBondContact O-N 3.18Å; I59-L99 HydrophobicContact CD1-CD1 3.9Å; I59-L99 HydrophobicContact CD1-CG 4.2Å; E72-L99 HydrophobicContact CG-CD1 4.31Å; V73-L99 HydrophobicContact CG2-CD1 4.25Å; V73-L99 HydrophobicContact CG2-CD2 3.59Å; L76-L99 HydrophobicContact CD1-CD1 4.15Å; L87-L99 HydrophobicContact CD1-CB 3.91Å; V90-L99 HydrophobicContact CG1-CD2 4.15Å; V90-L99 HydrophobicContact CG2-CD2 4.22Å; V97-L99 HydrophobicContact CG1-CD2 3.7Å; L99-M101 HydrophobicContact CB-CG 4.49Å
100I96.2Very high92.3Very high0 Ų050.7 Ų50.70%024%0.24CC..EExtended strand (participates in β ladder)trans-86.1113.4173.9-42.5-56.5000106.8F24 Y28 V54 V56 L88 Q89 I91F24-I100 HydrophobicContact CD2-CD1 4.21Å; F24-I100 HydrophobicContact CE2-CD1 3.71Å; Y28-I100 HydrophobicContact CD2-CD1 4.13Å; Y28-I100 HydrophobicContact CE1-CG2 3.77Å; Y28-I100 HydrophobicContact CE2-CD1 3.97Å; Y28-I100 HydrophobicContact CE2-CG1 3.93Å; V54-I100 HydrophobicContact CB-CG2 3.98Å; V54-I100 HydrophobicContact CG1-CG2 4.22Å; V54-I100 HydrophobicContact CG2-CG2 3.86Å; V56-I100 HydrophobicContact CB-CD1 4.5Å; V56-I100 HydrophobicContact CG1-CD1 4.02Å; V56-I100 HydrophobicContact CG2-CD1 3.8Å; L88-I100 HydrophobicContact CB-CG2 4.43Å; L88-I100 WeakPolarHBondContact CB-O 3.48Å; L88-I100 PolarHBondContact N-O 3.27Å; Q89-I100 HydrophobicContact CB-CB 4.08Å; Q89-I100 HydrophobicContact CB-CG1 3.91Å; Q89-I100 HydrophobicContact CG-CG1 4.27Å; Q89-I100 PolarHBondContact N-O 3.48Å; Q89-I100 WeakPolarHBondContact O-CB 3.43Å; Q89-I100 PolarHBondContact O-N 2.94Å; I91-I100 HydrophobicContact CD1-CD1 4.47Å
101M95.7Very high92.5Very high17 Ų1753.8 Ų53.88%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-114.4159.5-179.3-57.3176.5-57.100109.3V42 A55 K57 I85 S86 L87 L99V42-M101 HydrophobicContact CG1-CE 4.45Å; A55-M101 HydrophobicContact CB-CB 4.47Å; A55-M101 HydrophobicContact CB-CE 4.26Å; A55-M101 PolarHBondContact N-O 3.44Å; A55-M101 VanDerWaalsContact N-O 3.07Å; A55-M101 PolarHBondContact O-N 3.06Å; K57-M101 HydrophobicContact CB-CE 3.94Å; I85-M101 HydrophobicContact CG1-CB 4.11Å; I85-M101 HydrophobicContact CG1-SD 4.31Å; S86-M101 VanDerWaalsContact O-CA 3.32Å; S86-M101 WeakPolarHBondContact O-CA 3.31Å; L87-M101 HydrophobicContact CD1-CG 4.33Å; L99-M101 HydrophobicContact CB-CG 4.49Å
102E94.4Very high92.6Very high11 Ų1156.3 Ų56.35%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-56.2148.6166.969175.1143.600110.9I85 S86 K162 K334I85-E102 HydrophobicContact CD1-CG 3.45Å; I85-E102 VanDerWaalsContact CD1-CG 3.45Å; I85-E102 HydrophobicContact CG1-CG 4.23Å; S86-E102 PolarHBondContact N-OE1 2.99Å; S86-E102 PolarHBondContact O-N 2.86Å; S86-E102 PolarHBondContact OG-OE1 2.99Å; S86-E102 VanDerWaalsContact OG-OE1 3.1Å; E102-K162 WeakPolarHBondContact OE1-CD 3.5Å; E102-K162 WeakPolarHBondContact OE1-CE 3.43Å; E102-K162 IonicContact OE1-NZ 3.78Å; E102-K162 PolarHBondContact OE1-NZ 3.42Å; E102-K162 WeakPolarHBondContact OE2-CE 3.47Å; E102-K162 IonicContact OE2-NZ 2.65Å; E102-K334 IonicContact OE2-NZ 3.48Å; E102-K334 PolarHBondContact OE2-NZ 3.25Å
103L95Very high93Very high37 Ų3752.5 Ų52.519%0.19425%0.246CC..PPolyproline II helixtrans-84.4129.9169.1-175.265.5000109.6I34 L44 H53 A55I34-L103 HydrophobicContact CD1-CD1 3.96Å; L44-L103 HydrophobicContact CD1-CD1 3.99Å; L44-L103 HydrophobicContact CD1-CD2 3.6Å; L44-L103 HydrophobicContact CD1-CG 4.44Å; H53-L103 HydrophobicContact CB-CD2 3.76Å; A55-L103 HydrophobicContact CB-CD1 4.25Å
104C93.6Very high93.3Very high18 Ų1858.7 Ų58.712%0.12227%0.265CS..PPolyproline II helixtrans-85.9124.7161.2-66.20000109M154 E156C104-M154 HydrophobicContact CB-CB 4.03Å; C104-M154 HydrophobicContact CB-CE 3.75Å; C104-M154 HydrophobicContact CB-CG 3.9Å; C104-E156 WeakPolarHBondContact CA-OE1 3.45Å; C104-E156 WeakPolarHBondContact CB-OE1 3.31Å
105E90.9Very high93.8Very high94 Ų9457.8 Ų57.844%0.43926%0.26SS..  trans-91.6-7178-69.9-179-145.200112.8E156 K157 K338E105-E156 PolarHBondContact N-OE1 2.93Å; E105-E156 PolarHBondContact N-OE2 3.04Å; E105-K157 IonicContact OE2-NZ 2.73Å; E105-K338 IonicContact OE1-NZ 2.73Å; E105-K338 PolarHBondContact OE1-NZ 2.87Å
106G92.8Very high94.3Very high17 Ų1752.4 Ų52.418%0.17525%0.248CC..SBendtrans-71.9-162.5177.800000114.5M154 V155 E156G106-M154 WeakPolarHBondContact O-CE 3.26Å; G106-V155 CarbonylContact C-O 3.56Å; G106-V155 WeakPolarHBondContact CA-O 3.27Å; G106-E156 VanDerWaalsContact N-CD 3.26Å; G106-E156 PolarHBondContact N-OE1 3.35Å; G106-E156 VanDerWaalsContact N-OE1 3.1Å; G106-E156 PolarHBondContact N-OE2 3.49Å
107K94.5Very high94.7Very high118 Ų11850.7 Ų50.751%0.51325%0.251SS..EExtended strand (participates in β ladder)trans-119.4157.4172.7-65.9-168.3178-168.70110.1Q111 V155K107-Q111 HydrophobicContact CB-CB 4.16Å; K107-Q111 HydrophobicContact CD-CB 4.46Å; K107-V155 PolarHBondContact N-O 3.31Å; K107-V155 PolarHBondContact O-N 2.96Å
108S96Very high95.1Very high12 Ų1254.6 Ų54.68%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-63.1148.1169.7700000110.3Y110 Q111 H112 I153S108-Y110 PolarHBondContact O-N 3.08Å; S108-Q111 WeakPolarHBondContact O-CA 3.18Å; S108-Q111 WeakPolarHBondContact O-CB 3.25Å; S108-Q111 PolarHBondContact O-N 3.42Å; S108-Q111 WeakPolarHBondContact OG-CG 3.02Å; S108-Q111 PolarHBondContact OG-N 3.36Å; S108-H112 PolarHBondContact O-N 2.88Å; S108-I153 CarbonylContact C-O 3.55Å; S108-I153 VanDerWaalsContact CA-O 3.26Å; S108-I153 WeakPolarHBondContact CA-O 3.31Å
109L97.4Very high95.3Very high2 Ų254 Ų541%0.0126%0.263CS..Hα-helixtrans-54.9-35.9176.4-178.765.8000110.4Q111 H112 I113 L127 P150 I153 V155 V211 M215L109-Q111 PolarHBondContact O-N 3.05Å; L109-H112 PolarHBondContact O-N 3.41Å; L109-I113 HydrophobicContact CD1-CD1 4.1Å; L109-I113 HydrophobicContact CD1-CG1 4Å; L109-I113 HydrophobicContact CG-CG1 4.16Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.37Å; L109-I113 PolarHBondContact O-N 3.41Å; L109-L127 HydrophobicContact CD1-CD1 4.2Å; L109-P150 HydrophobicContact CB-CB 4.18Å; L109-P150 WeakPolarHBondContact CB-O 3.47Å; L109-P150 HydrophobicContact CD2-CB 4.35Å; L109-P150 HydrophobicContact CG-CB 4.28Å; L109-P150 PolarHBondContact N-O 3.44Å; L109-P150 VanDerWaalsContact N-O 3.1Å; L109-I153 HydrophobicContact CB-CB 3.99Å; L109-I153 HydrophobicContact CB-CG2 3.97Å; L109-I153 HydrophobicContact CD2-CB 4.33Å; L109-I153 HydrophobicContact CD2-CD1 3.97Å; L109-I153 HydrophobicContact CD2-CG2 4.12Å; L109-I153 PolarHBondContact N-O 2.82Å; L109-V155 HydrophobicContact CB-CG2 4.2Å; L109-V155 HydrophobicContact CD1-CG2 3.91Å; L109-V211 HydrophobicContact CD2-CG1 3.78Å; L109-M215 HydrophobicContact CD1-CG 4.19Å; L109-M215 HydrophobicContact CD2-CG 3.93Å; L109-M215 HydrophobicContact CD2-SD 3.97Å; L109-M215 HydrophobicContact CG-CG 4.4Å
110Y96.4Very high95.5Very high84 Ų8458.6 Ų58.633%0.32929%0.285SS..Hα-helixtrans-53.9-50.1171.6-177.4-97.2000112.5S108 R114 P150 F214S108-Y110 PolarHBondContact O-N 3.08Å; Y110-R114 WeakPolarHBondContact O-CB 3.47Å; Y110-R114 PolarHBondContact O-N 3.33Å; Y110-P150 PolarHBondContact N-O 2.61Å; Y110-F214 HydrophobicContact CD2-CE1 4.32Å; Y110-F214 AromaticContact CD2-CZ 3.91Å; Y110-F214 HydrophobicContact CD2-CZ 3.91Å; Y110-F214 HydrophobicContact CE2-CZ 4.23Å
111Q96.1Very high95.5Very high102 Ų10260.3 Ų60.348%0.47729%0.292SS..Hα-helixtrans-68.4-36178.5-68.3177.98.200112.3K107 S108 L109 K115K107-Q111 HydrophobicContact CB-CB 4.16Å; K107-Q111 HydrophobicContact CD-CB 4.46Å; S108-Q111 WeakPolarHBondContact O-CA 3.18Å; S108-Q111 WeakPolarHBondContact O-CB 3.25Å; S108-Q111 PolarHBondContact O-N 3.42Å; S108-Q111 WeakPolarHBondContact OG-CG 3.02Å; S108-Q111 PolarHBondContact OG-N 3.36Å; L109-Q111 PolarHBondContact O-N 3.05Å; Q111-K115 WeakPolarHBondContact O-CB 3.22Å; Q111-K115 PolarHBondContact O-N 3.18Å; Q111-K115 VanDerWaalsContact O-N 3.07Å
112H95.7Very high95.5Very high68 Ų6865.4 Ų65.432%0.31532%0.316SS..Hα-helixtrans-63-55.9177.5-170104.3000110.8S108 L109 R114 K115 A116S108-H112 PolarHBondContact O-N 2.88Å; L109-H112 PolarHBondContact O-N 3.41Å; H112-R114 PolarHBondContact O-N 3.19Å; H112-K115 PolarHBondContact O-N 2.68Å; H112-K115 VanDerWaalsContact O-N 3.16Å; H112-A116 PolarHBondContact O-N 2.88Å
113I97.2Very high95.5Very high1 Ų168.9 Ų68.91%0.00533%0.332CS..Hα-helixtrans-60-44.1176.2-59.6-52.5000111L109 K115 A116 G117 L119 F214 M215L109-I113 HydrophobicContact CD1-CD1 4.1Å; L109-I113 HydrophobicContact CD1-CG1 4Å; L109-I113 HydrophobicContact CG-CG1 4.16Å; L109-I113 VanDerWaalsContact O-CG1 3.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.37Å; L109-I113 PolarHBondContact O-N 3.41Å; I113-K115 PolarHBondContact O-N 2.9Å; I113-A116 PolarHBondContact O-N 3.26Å; I113-G117 CarbonylContact O-C 3.46Å; I113-G117 WeakPolarHBondContact O-CA 3.35Å; I113-G117 PolarHBondContact O-N 3.49Å; I113-L119 HydrophobicContact CD1-CB 4.48Å; I113-L119 HydrophobicContact CD1-CD1 3.52Å; I113-L119 HydrophobicContact CD1-CD2 4.38Å; I113-L119 HydrophobicContact CD1-CG 3.47Å; I113-L119 VanDerWaalsContact CD1-CG 3.47Å; I113-F214 HydrophobicContact CB-CD1 4.3Å; I113-F214 HydrophobicContact CB-CE1 3.59Å; I113-F214 HydrophobicContact CB-CZ 3.97Å; I113-F214 HydrophobicContact CG1-CD1 4.06Å; I113-F214 HydrophobicContact CG1-CE1 3.75Å; I113-F214 HydrophobicContact CG2-CD1 4.2Å; I113-F214 HydrophobicContact CG2-CE1 3.69Å; I113-F214 HydrophobicContact CG2-CE2 4.3Å; I113-F214 HydrophobicContact CG2-CZ 3.74Å; I113-M215 HydrophobicContact CD1-CB 4.17Å; I113-M215 HydrophobicContact CD1-CG 4.17Å; I113-M215 HydrophobicContact CG1-CG 4.49Å
114R95.6Very high95.6Very high169 Ų16967.1 Ų67.164%0.63832%0.323SS*.Hα-helixtrans-61.1-29.7178.8-178.8175.3171.1-174.9-4.1113.1Y110 H112Y110-R114 WeakPolarHBondContact O-CB 3.47Å; Y110-R114 PolarHBondContact O-N 3.33Å; H112-R114 PolarHBondContact O-N 3.19Å
115K95.3Very high95.8Very high186 Ų18667.4 Ų67.481%0.80932%0.321SS*.Hα-helixtrans-78-41.6174.4-171.1-169.1173.1-162.30111.9Q111 H112 I113Q111-K115 WeakPolarHBondContact O-CB 3.22Å; Q111-K115 PolarHBondContact O-N 3.18Å; Q111-K115 VanDerWaalsContact O-N 3.07Å; H112-K115 PolarHBondContact O-N 2.68Å; H112-K115 VanDerWaalsContact O-N 3.16Å; I113-K115 PolarHBondContact O-N 2.9Å
116A95.6Very high96Very high57 Ų5765.5 Ų65.547%0.47132%0.322SS..Hα-helixtrans-78-21.4-178.900000113.8H112 I113 Y118 L119H112-A116 PolarHBondContact O-N 2.88Å; I113-A116 PolarHBondContact O-N 3.26Å; A116-Y118 PolarHBondContact O-N 3Å; A116-L119 HydrophobicContact CB-CD2 4.44Å
117G96.9Very high96.2Very high39 Ų3965.3 Ų65.340%0.40232%0.317SS..SBendtrans84.1-58.8-166.100000111.1I113 G218I113-G117 CarbonylContact O-C 3.46Å; I113-G117 WeakPolarHBondContact O-CA 3.35Å; I113-G117 PolarHBondContact O-N 3.49Å; G117-G218 WeakPolarHBondContact O-CA 3.29Å
118Y96.7Very high96.3Very high98 Ų9859.7 Ų59.738%0.38429%0.293SS..SBendtrans-157.6166.3170.961.3-85.3000109.1A116A116-Y118 PolarHBondContact O-N 3Å
119L97.3Very high96.3Very high5 Ų560 Ų603%0.02629%0.292CS..  trans-97.4149.5174.2-67.6177.3000111.9I113 A116 E123 A124 L127 M215I113-L119 HydrophobicContact CD1-CB 4.48Å; I113-L119 HydrophobicContact CD1-CD1 3.52Å; I113-L119 HydrophobicContact CD1-CD2 4.38Å; I113-L119 HydrophobicContact CD1-CG 3.47Å; I113-L119 VanDerWaalsContact CD1-CG 3.47Å; A116-L119 HydrophobicContact CB-CD2 4.44Å; L119-E123 HydrophobicContact CB-CB 4.19Å; L119-E123 HydrophobicContact CD2-CB 4.23Å; L119-A124 HydrophobicContact CB-CB 4.12Å; L119-L127 HydrophobicContact CD1-CD1 3.66Å; L119-M215 HydrophobicContact CD1-CE 4.38Å; L119-M215 PolarHBondContact N-O 3.49Å
120Q96.7Very high96.3Very high96 Ų9661.2 Ų61.245%0.44930%0.298SS..  trans-67.5155.7165.7-59.6-59.5-20.100110.1H122 E123 A124Q120-H122 VanDerWaalsContact C-N 3.27Å; Q120-H122 PolarHBondContact O-N 2.72Å; Q120-E123 HydrophobicContact CB-CG 4.27Å; Q120-E123 PolarHBondContact N-OE2 2.85Å; Q120-E123 PolarHBondContact O-N 2.95Å; Q120-A124 WeakPolarHBondContact O-CB 3.43Å; Q120-A124 PolarHBondContact O-N 3.26Å
121E96.7Very high96.3Very high35 Ų3557.3 Ų57.316%0.16428%0.283CS..Hα-helixtrans-59.4-37-174.2-66.8-164.8-155.100113A124 R125 L245 S246 L249 W275E121-A124 PolarHBondContact O-N 3.07Å; E121-R125 WeakPolarHBondContact O-CB 2.95Å; E121-R125 PolarHBondContact O-N 3.35Å; E121-L245 HydrophobicContact CG-CD2 4.37Å; E121-L245 VanDerWaalsContact OE1-CA 3.25Å; E121-L245 WeakPolarHBondContact OE1-CA 3.49Å; E121-S246 PolarHBondContact OE1-N 3.25Å; E121-S246 WeakPolarHBondContact OE2-CB 3.4Å; E121-S246 PolarHBondContact OE2-OG 2.87Å; E121-L249 HydrophobicContact CG-CD2 3.72Å; E121-L249 WeakPolarHBondContact OE2-CD2 3.49Å; E121-W275 HydrophobicContact CB-CZ2 4.13Å; E121-W275 WeakPolarHBondContact O-CZ2 3.3Å; E121-W275 PolarHBondContact OE2-NE1 3.49Å
122H94.8Very high96.4Very high125 Ų12552.4 Ų52.458%0.57926%0.26SS*.Hα-helixtrans-66.9-41.417868.6-88.1000112.9Q120 R125 A126Q120-H122 VanDerWaalsContact C-N 3.27Å; Q120-H122 PolarHBondContact O-N 2.72Å; H122-R125 PolarHBondContact O-N 3.29Å; H122-A126 PolarHBondContact O-N 2.96Å; H122-A126 VanDerWaalsContact O-N 3.09Å
123E95.1Very high96.4Very high84 Ų8449.5 Ų49.539%0.39325%0.247SC..Hα-helixtrans-65-46.6174.7-56.7172.3138.400110.4L119 Q120 R125 A126 L127L119-E123 HydrophobicContact CB-CB 4.19Å; L119-E123 HydrophobicContact CD2-CB 4.23Å; Q120-E123 HydrophobicContact CB-CG 4.27Å; Q120-E123 PolarHBondContact N-OE2 2.85Å; Q120-E123 PolarHBondContact O-N 2.95Å; E123-R125 VanDerWaalsContact C-N 3.32Å; E123-R125 PolarHBondContact O-N 3.25Å; E123-A126 PolarHBondContact O-N 2.8Å; E123-L127 PolarHBondContact O-N 2.84Å
124A97Very high96.3Very high0 Ų049.5 Ų49.50%025%0.247CC..Hα-helixtrans-61.4-41.4178.300000111.5L119 Q120 E121 L127 F128 M215 V216 W275L119-A124 HydrophobicContact CB-CB 4.12Å; Q120-A124 WeakPolarHBondContact O-CB 3.43Å; Q120-A124 PolarHBondContact O-N 3.26Å; E121-A124 PolarHBondContact O-N 3.07Å; A124-L127 PolarHBondContact O-N 3.39Å; A124-F128 WeakPolarHBondContact O-CB 3.46Å; A124-F128 PolarHBondContact O-N 2.9Å; A124-M215 HydrophobicContact CB-CB 4.36Å; A124-M215 HydrophobicContact CB-CE 4.07Å; A124-M215 VanDerWaalsContact O-CE 3.24Å; A124-M215 WeakPolarHBondContact O-CE 3.2Å; A124-V216 HydrophobicContact CB-CG1 3.59Å; A124-W275 HydrophobicContact CB-CH2 4.38Å
125R96.9Very high96.4Very high23 Ų2341.4 Ų41.49%0.08722%0.217CC..Hα-helixtrans-61.9-44.9176.9-174.7-176.7-58.9142.40.2112.1E121 H122 E123 L127 F128 K129 W275 E278E121-R125 WeakPolarHBondContact O-CB 2.95Å; E121-R125 PolarHBondContact O-N 3.35Å; H122-R125 PolarHBondContact O-N 3.29Å; E123-R125 VanDerWaalsContact C-N 3.32Å; E123-R125 PolarHBondContact O-N 3.25Å; R125-L127 PolarHBondContact O-N 2.86Å; R125-F128 PolarHBondContact O-N 2.88Å; R125-K129 HydrophobicContact CG-CD 4.02Å; R125-K129 VanDerWaalsContact O-CG 3.31Å; R125-K129 WeakPolarHBondContact O-CG 3.31Å; R125-K129 PolarHBondContact O-N 2.93Å; R125-W275 VanDerWaalsContact CA-CH2 3.47Å; R125-W275 HydrophobicContact CB-CH2 3.61Å; R125-W275 HydrophobicContact CB-CZ2 3.91Å; R125-W275 HydrophobicContact CB-CZ3 3.99Å; R125-W275 WeakPolarHBondContact CD-O 3.28Å; R125-W275 HydrophobicContact CG-CE3 4.39Å; R125-W275 HydrophobicContact CG-CH2 4.26Å; R125-W275 HydrophobicContact CG-CZ3 4.15Å; R125-W275 PolarHBondContact NE-O 3.26Å; R125-W275 VanDerWaalsContact NH2-NE1 3.1Å; R125-E278 WeakPolarHBondContact CD-O 3.49Å; R125-E278 IonicContact CZ-OE1 3.62Å; R125-E278 VanDerWaalsContact CZ-OE1 3.31Å; R125-E278 IonicContact CZ-OE2 3.9Å; R125-E278 VanDerWaalsContact NH1-CD 3.26Å; R125-E278 IonicContact NH1-OE1 3.63Å; R125-E278 PolarHBondContact NH1-OE1 2.97Å; R125-E278 IonicContact NH1-OE2 2.73Å; R125-E278 IonicContact NH2-OE1 3.55Å; R125-E278 PolarHBondContact NH2-OE1 3.4Å; R125-E278 VanDerWaalsContact NH2-OE1 3.08Å; R125-E278 IonicContact NH2-OE2 2.72Å; R125-E278 PolarHBondContact NH2-OE2 2.83Å
126A94.9Very high96.4Very high55 Ų5534.1 Ų34.146%0.45519%0.187SC..Hα-helixtrans-60.5-42.8178.400000112.6H122 E123 Q130H122-A126 PolarHBondContact O-N 2.96Å; H122-A126 VanDerWaalsContact O-N 3.09Å; E123-A126 PolarHBondContact O-N 2.8Å; A126-Q130 PolarHBondContact O-NE2 2.86Å
127L96.6Very high96.4Very high13 Ų1333.3 Ų33.37%0.06817%0.172CC..Hα-helixtrans-71.9-38.9174.9-59.1180000111.9L109 L119 E123 A124 R125 Q130 L131 V155 G159 V161 M215L109-L127 HydrophobicContact CD1-CD1 4.2Å; L119-L127 HydrophobicContact CD1-CD1 3.66Å; E123-L127 PolarHBondContact O-N 2.84Å; A124-L127 PolarHBondContact O-N 3.39Å; R125-L127 PolarHBondContact O-N 2.86Å; L127-Q130 PolarHBondContact O-N 2.93Å; L127-L131 PolarHBondContact O-N 2.86Å; L127-V155 HydrophobicContact CD1-CG1 4.43Å; L127-V155 HydrophobicContact CD1-CG2 4.37Å; L127-V155 HydrophobicContact CD2-CG1 3.94Å; L127-G159 WeakPolarHBondContact CD2-O 3.34Å; L127-V161 HydrophobicContact CB-CG2 3.96Å; L127-V161 HydrophobicContact CD2-CG2 3.56Å; L127-V161 HydrophobicContact CG-CG2 4.32Å; L127-M215 HydrophobicContact CB-CE 3.73Å; L127-M215 HydrophobicContact CD1-CE 4.28Å
128F97.5Very high96.3Very high0 Ų031.6 Ų31.60%015%0.153CC..Hα-helixtrans-69.5-34.9-177.8-165.3-112.2000112.6A124 R125 Q130 L131 L132 L208 L212 M215 L252 L256 V270 W275A124-F128 WeakPolarHBondContact O-CB 3.46Å; A124-F128 PolarHBondContact O-N 2.9Å; R125-F128 PolarHBondContact O-N 2.88Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 2.86Å; F128-L131 HydrophobicContact CD2-CD1 4.29Å; F128-L131 WeakPolarHBondContact O-CB 3.35Å; F128-L131 PolarHBondContact O-N 2.85Å; F128-L131 VanDerWaalsContact O-N 3.17Å; F128-L132 HydrophobicContact CD1-CD1 3.7Å; F128-L132 HydrophobicContact CD1-CG 3.97Å; F128-L132 HydrophobicContact CE1-CD1 3.68Å; F128-L132 HydrophobicContact CE1-CD2 3.86Å; F128-L132 HydrophobicContact CE1-CG 3.82Å; F128-L132 HydrophobicContact CZ-CD2 4.01Å; F128-L132 HydrophobicContact CZ-CG 4.3Å; F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 2.95Å; F128-L208 HydrophobicContact CE2-CB 4.06Å; F128-L208 HydrophobicContact CE2-CD2 3.95Å; F128-L208 HydrophobicContact CZ-CB 4.1Å; F128-L208 HydrophobicContact CZ-CD2 4.48Å; F128-L212 HydrophobicContact CB-CD1 4.32Å; F128-L212 HydrophobicContact CD1-CD1 4.4Å; F128-L212 HydrophobicContact CD1-CD2 4.22Å; F128-L212 HydrophobicContact CD2-CB 4.08Å; F128-L212 HydrophobicContact CD2-CD1 4.12Å; F128-L212 HydrophobicContact CD2-CG 4.49Å; F128-L212 HydrophobicContact CE1-CD2 3.92Å; F128-L212 HydrophobicContact CE2-CB 3.78Å; F128-L212 HydrophobicContact CE2-CD2 4.36Å; F128-L212 HydrophobicContact CE2-CG 4.45Å; F128-L212 HydrophobicContact CG-CD1 4.04Å; F128-L212 HydrophobicContact CZ-CB 4.16Å; F128-L212 HydrophobicContact CZ-CD2 4.01Å; F128-M215 HydrophobicContact CB-CE 4.43Å; F128-L252 HydrophobicContact CE1-CD2 4.38Å; F128-L256 HydrophobicContact CE1-CD1 4.32Å; F128-L256 HydrophobicContact CZ-CD1 3.84Å; F128-V270 HydrophobicContact CE1-CG1 4.4Å; F128-W275 HydrophobicContact CB-CZ3 4.47Å; F128-W275 HydrophobicContact CD1-CZ3 4.1Å
129K96.2Very high96.3Very high17 Ų1728.2 Ų28.27%0.07414%0.141CC..Hα-helixtrans-59.6-38.4173.4-74.6170.180.2142.70112.4R125 L132 S133 V276 G281 F283R125-K129 HydrophobicContact CG-CD 4.02Å; R125-K129 VanDerWaalsContact O-CG 3.31Å; R125-K129 WeakPolarHBondContact O-CG 3.31Å; R125-K129 PolarHBondContact O-N 2.93Å; K129-L132 PolarHBondContact O-N 2.93Å; K129-S133 PolarHBondContact O-N 3.26Å; K129-V276 HydrophobicContact CD-CG1 4.42Å; K129-V276 WeakPolarHBondContact CD-O 3.4Å; K129-V276 WeakPolarHBondContact CE-O 3.13Å; K129-V276 HydrophobicContact CG-CG1 3.74Å; K129-V276 PolarHBondContact NZ-O 2.98Å; K129-G281 WeakPolarHBondContact CE-O 3.4Å; K129-G281 PolarHBondContact NZ-O 3.04Å; K129-F283 HydrophobicContact CB-CD1 4.07Å; K129-F283 HydrophobicContact CB-CE1 3.91Å; K129-F283 HydrophobicContact CG-CE1 3.98Å; K129-F283 HydrophobicContact CG-CZ 4.42Å; K129-F283 WeakPolarHBondContact O-CD1 3.36Å
130Q96.3Very high96.1Very high29 Ų2933.5 Ų33.514%0.13617%0.169CC..Hα-helixtrans-67.4-41.5174.3-65.3179.668.200112.1N83 A126 L127 F128 S133 A134 G159 V161 P284N83-Q130 PolarHBondContact ND2-OE1 2.88Å; A126-Q130 PolarHBondContact O-NE2 2.86Å; L127-Q130 PolarHBondContact O-N 2.93Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 2.86Å; Q130-S133 PolarHBondContact O-N 3.45Å; Q130-A134 PolarHBondContact O-N 3.32Å; Q130-G159 PolarHBondContact NE2-O 2.92Å; Q130-V161 HydrophobicContact CB-CB 3.89Å; Q130-V161 HydrophobicContact CB-CG2 4.07Å; Q130-P284 HydrophobicContact CB-CG 4.47Å; Q130-P284 HydrophobicContact CG-CG 3.76Å
131L97.3Very high95.9Very high1 Ų133.1 Ų33.11%0.00517%0.167CC..Hα-helixtrans-62.5-42.1173.8-71173.1000112.5L127 F128 A134 M135 I153 V161 I163 L208 V211L127-L131 PolarHBondContact O-N 2.86Å; F128-L131 HydrophobicContact CD2-CD1 4.29Å; F128-L131 WeakPolarHBondContact O-CB 3.35Å; F128-L131 PolarHBondContact O-N 2.85Å; F128-L131 VanDerWaalsContact O-N 3.17Å; L131-A134 PolarHBondContact O-N 2.88Å; L131-M135 WeakPolarHBondContact O-CB 3.33Å; L131-M135 WeakPolarHBondContact O-CG 3.26Å; L131-M135 PolarHBondContact O-N 3.32Å; L131-I153 HydrophobicContact CD1-CD1 4.02Å; L131-I153 HydrophobicContact CD2-CD1 3.9Å; L131-I153 HydrophobicContact CD2-CG1 3.98Å; L131-I153 HydrophobicContact CD2-CG2 3.88Å; L131-V161 HydrophobicContact CD2-CG1 3.61Å; L131-V161 HydrophobicContact CG-CG1 3.99Å; L131-I163 HydrophobicContact CD2-CD1 4.04Å; L131-I163 HydrophobicContact CD2-CG1 3.83Å; L131-L208 HydrophobicContact CB-CD2 4.19Å; L131-V211 HydrophobicContact CD1-CG1 4.22Å
132L97.5Very high95.7Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-63.3-43.2175.3-68.6172.8000111.3F128 K129 A134 M135 N136 L208 V267 V270 M271 V276 F283F128-L132 HydrophobicContact CD1-CD1 3.7Å; F128-L132 HydrophobicContact CD1-CG 3.97Å; F128-L132 HydrophobicContact CE1-CD1 3.68Å; F128-L132 HydrophobicContact CE1-CD2 3.86Å; F128-L132 HydrophobicContact CE1-CG 3.82Å; F128-L132 HydrophobicContact CZ-CD2 4.01Å; F128-L132 HydrophobicContact CZ-CG 4.3Å; F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 2.95Å; K129-L132 PolarHBondContact O-N 2.93Å; L132-A134 PolarHBondContact O-N 3.36Å; L132-M135 PolarHBondContact O-N 3.46Å; L132-N136 WeakPolarHBondContact O-CB 3.4Å; L132-N136 PolarHBondContact O-N 3.32Å; L132-L208 HydrophobicContact CD2-CD1 4.15Å; L132-V267 HydrophobicContact CB-CG1 4.27Å; L132-V267 HydrophobicContact CD2-CG1 3.81Å; L132-V267 WeakPolarHBondContact O-CG1 3.36Å; L132-V270 HydrophobicContact CD1-CG1 3.89Å; L132-V270 HydrophobicContact CD2-CB 4.25Å; L132-V270 HydrophobicContact CD2-CG1 3.57Å; L132-V270 HydrophobicContact CG-CG1 4.41Å; L132-M271 HydrophobicContact CB-CG 3.87Å; L132-M271 HydrophobicContact CD1-CG 4.32Å; L132-V276 HydrophobicContact CD1-CG1 3.64Å; L132-V276 HydrophobicContact CD1-CG2 4.03Å; L132-F283 HydrophobicContact CB-CE1 4.33Å
133S95.9Very high95.6Very high7 Ų726.2 Ų26.25%0.04914%0.139CC..Hα-helixtrans-58-49.3175.4-1710000111.5H81 K129 Q130 M135 N136 Y137H81-S133 WeakPolarHBondContact CE1-CB 3.31Å; H81-S133 PolarHBondContact CE1-OG 3.43Å; H81-S133 WeakPolarHBondContact NE2-CB 3.47Å; H81-S133 PolarHBondContact NE2-O 3.01Å; H81-S133 PolarHBondContact NE2-OG 3.43Å; K129-S133 PolarHBondContact O-N 3.26Å; Q130-S133 PolarHBondContact O-N 3.45Å; S133-M135 PolarHBondContact O-N 2.98Å; S133-N136 PolarHBondContact O-N 3.45Å; S133-Y137 WeakPolarHBondContact O-CB 3.43Å; S133-Y137 PolarHBondContact O-N 3.07Å
134A96.1Very high95.6Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-60.6-45.6177.100000113.2H81 N83 V84 Q130 L131 L132 Y137 C138 I163H81-A134 PolarHBondContact CE1-N 3.3Å; N83-A134 HydrophobicContact CB-CB 3.92Å; V84-A134 HydrophobicContact CG2-CB 4.02Å; Q130-A134 PolarHBondContact O-N 3.32Å; L131-A134 PolarHBondContact O-N 2.88Å; L132-A134 PolarHBondContact O-N 3.36Å; A134-Y137 WeakPolarHBondContact O-CB 3.28Å; A134-Y137 PolarHBondContact O-N 3.27Å; A134-C138 PolarHBondContact O-N 3.28Å; A134-C138 PolarHBondContact O-SG 2.78Å; A134-I163 HydrophobicContact CB-CD1 3.61Å; A134-I163 HydrophobicContact CB-CG1 4.23Å
135M97Very high95.4Very high0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-72.9-35-177.7-71.3-53.9-45.600112.5L131 L132 S133 C138 H139 H145 L148 I163 D204 L208 V267L131-M135 WeakPolarHBondContact O-CB 3.33Å; L131-M135 WeakPolarHBondContact O-CG 3.26Å; L131-M135 PolarHBondContact O-N 3.32Å; L132-M135 PolarHBondContact O-N 3.46Å; S133-M135 PolarHBondContact O-N 2.98Å; M135-C138 HydrophobicContact CE-CB 4.46Å; M135-C138 PolarHBondContact O-N 2.97Å; M135-H139 VanDerWaalsContact CE-NE2 3.3Å; M135-H139 WeakPolarHBondContact CE-NE2 3.3Å; M135-H139 WeakPolarHBondContact O-CB 3.39Å; M135-H139 PolarHBondContact O-CD2 2.95Å; M135-H139 VanDerWaalsContact O-CG 3.25Å; M135-H139 PolarHBondContact O-N 2.74Å; M135-H145 HydrophobicContact CE-CB 4.06Å; M135-H145 HydrophobicContact SD-CB 4.32Å; M135-L148 HydrophobicContact CG-CD2 4.41Å; M135-L148 HydrophobicContact SD-CD2 4.32Å; M135-I163 HydrophobicContact CG-CD1 3.98Å; M135-I163 HydrophobicContact SD-CD1 3.68Å; M135-D204 HydrophobicContact CE-CB 3.83Å; M135-D204 VanDerWaalsContact CE-OD2 3.28Å; M135-D204 WeakPolarHBondContact CE-OD2 3.44Å; M135-L208 HydrophobicContact CB-CD1 4.2Å; M135-L208 HydrophobicContact CG-CD1 4.15Å; M135-L208 HydrophobicContact CG-CD2 4.21Å; M135-V267 HydrophobicContact CB-CG1 4.33Å; M135-V267 HydrophobicContact CB-CG2 4.27Å
136N96.3Very high95.2Very high33 Ų3322 Ų2218%0.17612%0.119CC..Hα-helixtrans-64.3-44.9173.1-167.747.3000110.7L132 S133 C138 H139 N140 V267 M271L132-N136 WeakPolarHBondContact O-CB 3.4Å; L132-N136 PolarHBondContact O-N 3.32Å; S133-N136 PolarHBondContact O-N 3.45Å; N136-C138 PolarHBondContact O-N 2.64Å; N136-H139 PolarHBondContact O-N 3.47Å; N136-N140 WeakPolarHBondContact O-CB 3.23Å; N136-N140 PolarHBondContact O-N 3.28Å; N136-N140 PolarHBondContact O-ND2 2.88Å; N136-N140 VanDerWaalsContact O-ND2 3.16Å; N136-V267 HydrophobicContact CB-CB 4.26Å; N136-V267 HydrophobicContact CB-CG1 3.78Å; N136-M271 HydrophobicContact CB-SD 3.61Å
137Y95.3Very high95.1Very high40 Ų4019.9 Ų19.916%0.15710%0.101CC..Hα-helixtrans-54.8-50.7171.3168.9-91.8000111.6M78 A79 D80 H81 S133 A134 H139 N140 Q141M78-Y137 PolarHBondContact O-OH 3.45Å; A79-Y137 WeakPolarHBondContact CA-OH 3.48Å; D80-Y137 PolarHBondContact N-OH 3.5Å; D80-Y137 WeakPolarHBondContact O-CE2 3.44Å; H81-Y137 HydrophobicContact CB-CD1 3.78Å; H81-Y137 HydrophobicContact CB-CD2 4.31Å; H81-Y137 HydrophobicContact CB-CE1 4.01Å; H81-Y137 HydrophobicContact CB-CE2 4.5Å; H81-Y137 HydrophobicContact CB-CG 3.96Å; H81-Y137 AromaticContact CD2-CG 3.76Å; S133-Y137 WeakPolarHBondContact O-CB 3.43Å; S133-Y137 PolarHBondContact O-N 3.07Å; A134-Y137 WeakPolarHBondContact O-CB 3.28Å; A134-Y137 PolarHBondContact O-N 3.27Å; Y137-H139 PolarHBondContact O-N 2.93Å; Y137-N140 PolarHBondContact O-N 2.9Å; Y137-Q141 HydrophobicContact CE1-CG 4.37Å; Y137-Q141 HydrophobicContact CE2-CG 4.25Å; Y137-Q141 WeakPolarHBondContact O-CG 3.32Å; Y137-Q141 PolarHBondContact O-N 3.27Å; Y137-Q141 VanDerWaalsContact O-N 3.13Å
138C94.9Very high95Very high2 Ų219.3 Ų19.31%0.01410%0.098CC..Hα-helixtrans-59-50.1178.4-70.10000111.8A134 M135 N136 N140 Q141 G142 I143A134-C138 PolarHBondContact O-N 3.28Å; A134-C138 PolarHBondContact O-SG 2.78Å; M135-C138 HydrophobicContact CE-CB 4.46Å; M135-C138 PolarHBondContact O-N 2.97Å; N136-C138 PolarHBondContact O-N 2.64Å; C138-N140 VanDerWaalsContact C-N 3.32Å; C138-N140 PolarHBondContact O-N 3.44Å; C138-Q141 CarbonylContact O-C 3.58Å; C138-Q141 PolarHBondContact O-N 2.93Å; C138-Q141 VanDerWaalsContact O-N 3.07Å; C138-G142 PolarHBondContact O-N 3.34Å; C138-I143 CarbonylContact C-O 3.56Å; C138-I143 HydrophobicContact CB-CB 4.03Å; C138-I143 HydrophobicContact CB-CG2 4.3Å; C138-I143 WeakPolarHBondContact O-CA 3.17Å; C138-I143 WeakPolarHBondContact O-CB 3.32Å; C138-I143 PolarHBondContact O-N 3.45Å
139H95.3Very high94.8Very high27 Ų2720.5 Ų20.513%0.12510%0.103CC..Hα-helixtrans-62.5-38.5-178-71.3-173.8000112M135 N136 Y137 Q141 G142 I143 P201 D204 V267M135-H139 VanDerWaalsContact CE-NE2 3.3Å; M135-H139 WeakPolarHBondContact CE-NE2 3.3Å; M135-H139 WeakPolarHBondContact O-CB 3.39Å; M135-H139 PolarHBondContact O-CD2 2.95Å; M135-H139 VanDerWaalsContact O-CG 3.25Å; M135-H139 PolarHBondContact O-N 2.74Å; N136-H139 PolarHBondContact O-N 3.47Å; Y137-H139 PolarHBondContact O-N 2.93Å; H139-Q141 VanDerWaalsContact C-N 3.31Å; H139-Q141 PolarHBondContact O-N 3.38Å; H139-G142 WeakPolarHBondContact O-CA 3.48Å; H139-G142 PolarHBondContact O-N 3.46Å; H139-I143 PolarHBondContact CD2-O 2.87Å; H139-P201 PolarHBondContact CE1-O 3Å; H139-P201 VanDerWaalsContact CE1-O 3.26Å; H139-D204 IonicContact CD2-OD2 3.4Å; H139-D204 IonicContact CE1-OD2 2.68Å; H139-D204 IonicContact NE2-OD2 3.38Å; H139-D204 PolarHBondContact NE2-OD2 3.32Å; H139-V267 VanDerWaalsContact ND1-CG2 3.35Å; H139-V267 WeakPolarHBondContact ND1-CG2 3.37Å
140N93.8Very high94.8Very high117 Ų11719.7 Ų19.763%0.62610%0.099SC*.Hα-helixtrans-66-30.3174.8-69.9-23.5000113N136 Y137 C138 G142N136-N140 WeakPolarHBondContact O-CB 3.23Å; N136-N140 PolarHBondContact O-N 3.28Å; N136-N140 PolarHBondContact O-ND2 2.88Å; N136-N140 VanDerWaalsContact O-ND2 3.16Å; Y137-N140 PolarHBondContact O-N 2.9Å; C138-N140 VanDerWaalsContact C-N 3.32Å; C138-N140 PolarHBondContact O-N 3.44Å; N140-G142 PolarHBondContact O-N 3.46Å
141Q92Very high94.6Very high87 Ų8721 Ų2141%0.40711%0.108SC..THydrogen-bonded Turntrans-80.32.1170.7-64.7-58.4-34.400113.5Y137 C138 H139 I143 K171Y137-Q141 HydrophobicContact CE1-CG 4.37Å; Y137-Q141 HydrophobicContact CE2-CG 4.25Å; Y137-Q141 WeakPolarHBondContact O-CG 3.32Å; Y137-Q141 PolarHBondContact O-N 3.27Å; Y137-Q141 VanDerWaalsContact O-N 3.13Å; C138-Q141 CarbonylContact O-C 3.58Å; C138-Q141 PolarHBondContact O-N 2.93Å; C138-Q141 VanDerWaalsContact O-N 3.07Å; H139-Q141 VanDerWaalsContact C-N 3.31Å; H139-Q141 PolarHBondContact O-N 3.38Å; Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 HydrophobicContact CB-CD1 3.94Å; Q141-I143 HydrophobicContact CB-CG1 3.87Å; Q141-K171 WeakPolarHBondContact O-CE 3.46Å
142G92.5Very high94.5Very high14 Ų1421.6 Ų21.614%0.14411%0.111CC..THydrogen-bonded Turntrans70.721.8-17400000113.3C138 H139 N140 K171 V172C138-G142 PolarHBondContact O-N 3.34Å; H139-G142 WeakPolarHBondContact O-CA 3.48Å; H139-G142 PolarHBondContact O-N 3.46Å; N140-G142 PolarHBondContact O-N 3.46Å; G142-K171 CarbonylContact O-C 3.55Å; G142-K171 VanDerWaalsContact O-CA 3.26Å; G142-K171 WeakPolarHBondContact O-CA 3.15Å; G142-V172 PolarHBondContact O-N 2.89Å
143I93.4Very high94.5Very high1 Ų121.7 Ų21.71%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-94.9128-179.8-53.6-177.9000109.2L75 C138 H139 Q141 F166L75-I143 HydrophobicContact CD1-CG2 4.43Å; L75-I143 HydrophobicContact CD2-CB 4.11Å; L75-I143 HydrophobicContact CD2-CD1 3.78Å; L75-I143 HydrophobicContact CD2-CG1 3.55Å; L75-I143 HydrophobicContact CD2-CG2 3.77Å; C138-I143 CarbonylContact C-O 3.56Å; C138-I143 HydrophobicContact CB-CB 4.03Å; C138-I143 HydrophobicContact CB-CG2 4.3Å; C138-I143 WeakPolarHBondContact O-CA 3.17Å; C138-I143 WeakPolarHBondContact O-CB 3.32Å; C138-I143 PolarHBondContact O-N 3.45Å; H139-I143 PolarHBondContact CD2-O 2.87Å; Q141-I143 VanDerWaalsContact C-N 3.29Å; Q141-I143 HydrophobicContact CB-CD1 3.94Å; Q141-I143 HydrophobicContact CB-CG1 3.87Å; I143-F166 HydrophobicContact CG2-CD1 4.38Å; I143-F166 HydrophobicContact CG2-CE1 4.28Å
144V94.3Very high94.6Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-115.1130.6175.7-172.50000108.6R146 S169 T170 V172 G200 P201 D204V144-R146 HydrophobicContact CB-CG 4.26Å; V144-R146 HydrophobicContact CG1-CG 3.63Å; V144-S169 CarbonylContact O-C 3.54Å; V144-S169 WeakPolarHBondContact O-CA 3.46Å; V144-S169 VanDerWaalsContact O-CB 3.26Å; V144-S169 WeakPolarHBondContact O-CB 3.46Å; V144-T170 HydrophobicContact CB-CG2 4.32Å; V144-T170 PolarHBondContact N-O 2.91Å; V144-T170 PolarHBondContact O-N 2.93Å; V144-V172 HydrophobicContact CG2-CB 4.4Å; V144-V172 HydrophobicContact CG2-CG1 3.8Å; V144-V172 HydrophobicContact CG2-CG2 3.65Å; V144-G200 WeakPolarHBondContact CG1-O 3.47Å; V144-P201 HydrophobicContact CG2-CG 4.23Å; V144-D204 WeakPolarHBondContact CG1-OD2 3.35Å
145H93.7Very high94.6Very high2 Ų222.8 Ų22.81%0.00912%0.116CC..  trans-79.3-45.4-171.9-166.1-82.3000112.7M135 D147 L148 I163 F166 L168 S169 D204M135-H145 HydrophobicContact CE-CB 4.06Å; M135-H145 HydrophobicContact SD-CB 4.32Å; H145-D147 PolarHBondContact CE1-O 2.92Å; H145-D147 VanDerWaalsContact ND1-C 3.27Å; H145-D147 PolarHBondContact O-N 3.47Å; H145-L148 PolarHBondContact ND1-N 3.21Å; H145-I163 WeakPolarHBondContact NE2-CG2 3.45Å; H145-F166 AromaticContact CD2-CD1 3.99Å; H145-F166 AromaticContact CD2-CE1 3.77Å; H145-F166 AromaticContact CD2-CZ 3.86Å; H145-L168 CarbonylContact O-C 3.35Å; H145-S169 WeakPolarHBondContact CA-OG 3.29Å; H145-S169 WeakPolarHBondContact O-CA 3.28Å; H145-S169 PolarHBondContact O-OG 3.1Å; H145-D204 PolarHBondContact N-OD1 3.05Å; H145-D204 PolarHBondContact N-OD2 2.85Å
146R93Very high94.4Very high16 Ų1624.5 Ų24.56%0.0612%0.124CC..SBendtrans63.9-16177.1-50.3-168.7-65.3-178.5-5.2118V144 L168 S169 I203 D204V144-R146 HydrophobicContact CB-CG 4.26Å; V144-R146 HydrophobicContact CG1-CG 3.63Å; R146-L168 PolarHBondContact NE-O 2.83Å; R146-L168 PolarHBondContact NH2-O 3.31Å; R146-S169 PolarHBondContact NH2-O 3.42Å; R146-I203 HydrophobicContact CB-CD1 4.19Å; R146-I203 HydrophobicContact CG-CD1 3.89Å; R146-D204 PolarHBondContact N-OD1 3.47Å
147D92Very high94.1Very high12 Ų1231.1 Ų31.16%0.06415%0.151CC..  trans-135.444.7173.1-165.241.8000112.6H145 K149 N152 L168 G183 T184H145-D147 PolarHBondContact CE1-O 2.92Å; H145-D147 VanDerWaalsContact ND1-C 3.27Å; H145-D147 PolarHBondContact O-N 3.47Å; D147-K149 IonicContact OD1-NZ 2.73Å; D147-K149 PolarHBondContact OD1-NZ 3.23Å; D147-K149 IonicContact OD2-NZ 3.88Å; D147-K149 PolarHBondContact OD2-NZ 3.15Å; D147-N152 PolarHBondContact O-ND2 2.65Å; D147-L168 HydrophobicContact CB-CB 3.99Å; D147-L168 HydrophobicContact CB-CD1 3.68Å; D147-L168 HydrophobicContact CB-CG 4.37Å; D147-G183 VanDerWaalsContact OD1-C 3.22Å; D147-G183 WeakPolarHBondContact OD1-CA 3.13Å; D147-T184 WeakPolarHBondContact OD1-CB 3.48Å; D147-T184 PolarHBondContact OD1-N 3.01Å; D147-T184 VanDerWaalsContact OD1-N 3.12Å; D147-T184 PolarHBondContact OD1-OG1 3.18Å
148L94Very high93.8Very high1 Ų135.2 Ų35.21%0.00518%0.176CC..  trans-71.7132.7173.3-174.969.4000108.8M135 H145 I153 I163 T207 L208M135-L148 HydrophobicContact CG-CD2 4.41Å; M135-L148 HydrophobicContact SD-CD2 4.32Å; H145-L148 PolarHBondContact ND1-N 3.21Å; L148-I153 HydrophobicContact CD1-CD1 3.91Å; L148-I153 HydrophobicContact CD1-CG1 3.81Å; L148-I153 HydrophobicContact CG-CD1 4.26Å; L148-I163 HydrophobicContact CD1-CD1 4.13Å; L148-I163 HydrophobicContact CD1-CG1 4.34Å; L148-I163 HydrophobicContact CD1-CG2 4.01Å; L148-T207 HydrophobicContact CB-CG2 3.74Å; L148-T207 HydrophobicContact CD2-CG2 4.49Å; L148-T207 HydrophobicContact CG-CG2 4.35Å; L148-T207 WeakPolarHBondContact O-CG2 3.3Å; L148-L208 HydrophobicContact CD2-CD2 3.75Å; L148-L208 HydrophobicContact CD2-CG 4.05Å
149K93.9Very high93.7Very high24 Ų2436.4 Ų36.410%0.10419%0.188CC..  trans-163.6162.9-179.960.4-167.5179-142.80110.3D147 D151 N152 I153 T184 F187D147-K149 IonicContact OD1-NZ 2.73Å; D147-K149 PolarHBondContact OD1-NZ 3.23Å; D147-K149 IonicContact OD2-NZ 3.88Å; D147-K149 PolarHBondContact OD2-NZ 3.15Å; K149-D151 HydrophobicContact CD-CB 4.48Å; K149-D151 HydrophobicContact CG-CB 4.18Å; K149-D151 PolarHBondContact O-N 2.95Å; K149-D151 VanDerWaalsContact O-N 3.09Å; K149-N152 WeakPolarHBondContact CE-ND2 3.19Å; K149-N152 WeakPolarHBondContact CE-OD1 3.32Å; K149-N152 HydrophobicContact CG-CB 3.96Å; K149-N152 CarbonylContact O-C 3.56Å; K149-N152 WeakPolarHBondContact O-CA 3.32Å; K149-N152 PolarHBondContact O-N 2.96Å; K149-I153 WeakPolarHBondContact O-CG1 3.28Å; K149-I153 PolarHBondContact O-N 3.13Å; K149-T184 HydrophobicContact CD-CG2 4.32Å; K149-T184 WeakPolarHBondContact CD-OG1 3.36Å; K149-T184 PolarHBondContact NZ-OG1 3.36Å; K149-F187 HydrophobicContact CB-CD1 4.39Å; K149-F187 HydrophobicContact CB-CD2 3.95Å; K149-F187 HydrophobicContact CB-CE1 4.45Å; K149-F187 HydrophobicContact CB-CE2 3.99Å; K149-F187 HydrophobicContact CB-CG 4.17Å; K149-F187 HydrophobicContact CB-CZ 4.27Å
150P95.7Very high93.6Very high0 Ų037.2 Ų37.20%019%0.192CC..THydrogen-bonded Turntrans-60.3-19.9-179.6-25.236.4000114.8L109 Y110 F187 V211 F214L109-P150 HydrophobicContact CB-CB 4.18Å; L109-P150 WeakPolarHBondContact CB-O 3.47Å; L109-P150 HydrophobicContact CD2-CB 4.35Å; L109-P150 HydrophobicContact CG-CB 4.28Å; L109-P150 PolarHBondContact N-O 3.44Å; L109-P150 VanDerWaalsContact N-O 3.1Å; Y110-P150 PolarHBondContact N-O 2.61Å; P150-F187 HydrophobicContact CG-CE1 4.02Å; P150-F187 HydrophobicContact CG-CZ 4.05Å; P150-V211 HydrophobicContact CG-CG2 4.43Å; P150-F214 HydrophobicContact CB-CD1 3.95Å; P150-F214 HydrophobicContact CB-CE1 3.84Å; P150-F214 HydrophobicContact CG-CD1 3.49Å; P150-F214 VanDerWaalsContact CG-CD1 3.49Å; P150-F214 HydrophobicContact CG-CE1 3.86Å; P150-F214 HydrophobicContact CG-CG 4.23Å
151D93.1Very high93.7Very high58 Ų5831.7 Ų31.731%0.3116%0.162SC..THydrogen-bonded Turntrans-75.4-29.2171.1-53.6-86.8000113.1K149 I153K149-D151 HydrophobicContact CD-CB 4.48Å; K149-D151 HydrophobicContact CG-CB 4.18Å; K149-D151 PolarHBondContact O-N 2.95Å; K149-D151 VanDerWaalsContact O-N 3.09Å; D151-I153 VanDerWaalsContact C-N 3.35Å
152N95.2Very high93.9Very high13 Ų1327.9 Ų27.97%0.0714%0.144CC..SBendtrans-96.416.8-178.3-71.14.4000112.6D147 K149 I164D147-N152 PolarHBondContact O-ND2 2.65Å; K149-N152 WeakPolarHBondContact CE-ND2 3.19Å; K149-N152 WeakPolarHBondContact CE-OD1 3.32Å; K149-N152 HydrophobicContact CG-CB 3.96Å; K149-N152 CarbonylContact O-C 3.56Å; K149-N152 WeakPolarHBondContact O-CA 3.32Å; K149-N152 PolarHBondContact O-N 2.96Å; N152-I164 HydrophobicContact CB-CG1 4.36Å; N152-I164 WeakPolarHBondContact O-CG1 3.43Å; N152-I164 PolarHBondContact O-N 3.31Å
153I97.2Very high94.1Very high1 Ų127.2 Ų27.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-127.1117.8177-63.5164.6000107S108 L109 L131 L148 K149 D151 V161 V211S108-I153 CarbonylContact C-O 3.55Å; S108-I153 VanDerWaalsContact CA-O 3.26Å; S108-I153 WeakPolarHBondContact CA-O 3.31Å; L109-I153 HydrophobicContact CB-CB 3.99Å; L109-I153 HydrophobicContact CB-CG2 3.97Å; L109-I153 HydrophobicContact CD2-CB 4.33Å; L109-I153 HydrophobicContact CD2-CD1 3.97Å; L109-I153 HydrophobicContact CD2-CG2 4.12Å; L109-I153 PolarHBondContact N-O 2.82Å; L131-I153 HydrophobicContact CD1-CD1 4.02Å; L131-I153 HydrophobicContact CD2-CD1 3.9Å; L131-I153 HydrophobicContact CD2-CG1 3.98Å; L131-I153 HydrophobicContact CD2-CG2 3.88Å; L148-I153 HydrophobicContact CD1-CD1 3.91Å; L148-I153 HydrophobicContact CD1-CG1 3.81Å; L148-I153 HydrophobicContact CG-CD1 4.26Å; K149-I153 WeakPolarHBondContact O-CG1 3.28Å; K149-I153 PolarHBondContact O-N 3.13Å; D151-I153 VanDerWaalsContact C-N 3.35Å; I153-V161 HydrophobicContact CG2-CG1 3.59Å; I153-V211 HydrophobicContact CD1-CG1 3.85Å; I153-V211 HydrophobicContact CD1-CG2 4.31Å
154M96.9Very high94.1Very high26 Ų2629.1 Ų29.113%0.12815%0.147CC..EExtended strand (participates in β ladder)trans-93.1141.3174.1-66.2-61.9-70.500110.4C104 G106 V161 K162 I164C104-M154 HydrophobicContact CB-CB 4.03Å; C104-M154 HydrophobicContact CB-CE 3.75Å; C104-M154 HydrophobicContact CB-CG 3.9Å; G106-M154 WeakPolarHBondContact O-CE 3.26Å; M154-V161 CarbonylContact O-C 3.53Å; M154-V161 VanDerWaalsContact O-CA 3.29Å; M154-V161 WeakPolarHBondContact O-CA 3.38Å; M154-K162 PolarHBondContact N-O 2.78Å; M154-K162 PolarHBondContact O-N 3.07Å; M154-I164 HydrophobicContact CG-CD1 3.98Å; M154-I164 HydrophobicContact CG-CG1 4.4Å; M154-I164 HydrophobicContact CG-CG2 3.79Å; M154-I164 HydrophobicContact SD-CD1 4.26Å
155V96.6Very high93.8Very high5 Ų531.6 Ų31.63%0.0316%0.161CC..EExtended strand (participates in β ladder)trans-121.9111.1173.3-175.10000108G106 K107 L109 L127G106-V155 CarbonylContact C-O 3.56Å; G106-V155 WeakPolarHBondContact CA-O 3.27Å; K107-V155 PolarHBondContact N-O 3.31Å; K107-V155 PolarHBondContact O-N 2.96Å; L109-V155 HydrophobicContact CB-CG2 4.2Å; L109-V155 HydrophobicContact CD1-CG2 3.91Å; L127-V155 HydrophobicContact CD1-CG1 4.43Å; L127-V155 HydrophobicContact CD1-CG2 4.37Å; L127-V155 HydrophobicContact CD2-CG1 3.94Å
156E93.8Very high93.6Very high36 Ų3631.6 Ų31.617%0.16816%0.161CC..  trans-72.8169.5176.7-69.6-60.2148.200112.4C104 E105 G106 D158 G159 K160C104-E156 WeakPolarHBondContact CA-OE1 3.45Å; C104-E156 WeakPolarHBondContact CB-OE1 3.31Å; E105-E156 PolarHBondContact N-OE1 2.93Å; E105-E156 PolarHBondContact N-OE2 3.04Å; G106-E156 VanDerWaalsContact N-CD 3.26Å; G106-E156 PolarHBondContact N-OE1 3.35Å; G106-E156 VanDerWaalsContact N-OE1 3.1Å; G106-E156 PolarHBondContact N-OE2 3.49Å; E156-D158 VanDerWaalsContact C-N 3.27Å; E156-D158 WeakPolarHBondContact CB-OD1 3.44Å; E156-D158 PolarHBondContact O-N 2.93Å; E156-G159 PolarHBondContact O-N 3.07Å; E156-G159 VanDerWaalsContact O-N 3.11Å; E156-K160 HydrophobicContact CB-CB 4.11Å; E156-K160 WeakPolarHBondContact CB-O 3.39Å; E156-K160 HydrophobicContact CG-CB 4.44Å; E156-K160 PolarHBondContact N-O 2.74Å
157K90.2Very high93.1Very high171 Ų17131.8 Ų31.874%0.74317%0.167SC*.THydrogen-bonded Turntrans-68.2-26-175.3-65.3169.6-172.8153.30113.6E105 G159E105-K157 IonicContact OE2-NZ 2.73Å; K157-G159 VanDerWaalsContact C-N 3.3Å
158D88.9Confident92.7Very high126 Ų12632.8 Ų32.867%0.67417%0.173SC*.THydrogen-bonded Turntrans-82.7-2.8174.757.32.3000113E156 K160E156-D158 VanDerWaalsContact C-N 3.27Å; E156-D158 WeakPolarHBondContact CB-OD1 3.44Å; E156-D158 PolarHBondContact O-N 2.93Å; D158-K160 WeakPolarHBondContact OD1-CB 3.47Å; D158-K160 PolarHBondContact OD1-N 3.28Å
159G91.8Very high92.5Very high27 Ų2732.9 Ų32.928%0.27817%0.173SC..SBendtrans85.16.2-17400000114.3L127 Q130 E156 K157L127-G159 WeakPolarHBondContact CD2-O 3.34Å; Q130-G159 PolarHBondContact NE2-O 2.92Å; E156-G159 PolarHBondContact O-N 3.07Å; E156-G159 VanDerWaalsContact O-N 3.11Å; K157-G159 VanDerWaalsContact C-N 3.3Å
160K94.2Very high92.4Very high44 Ų4433 Ų3319%0.19118%0.176CC..  trans-69.9131.6175.2-173.3166.7-176.2163.50111.1P82 E156 D158 E289P82-K160 WeakPolarHBondContact O-CE 3.38Å; E156-K160 HydrophobicContact CB-CB 4.11Å; E156-K160 WeakPolarHBondContact CB-O 3.39Å; E156-K160 HydrophobicContact CG-CB 4.44Å; E156-K160 PolarHBondContact N-O 2.74Å; D158-K160 WeakPolarHBondContact OD1-CB 3.47Å; D158-K160 PolarHBondContact OD1-N 3.28Å; K160-E289 IonicContact NZ-OE1 3.31Å; K160-E289 PolarHBondContact NZ-OE1 3.21Å; K160-E289 IonicContact NZ-OE2 3.34Å; K160-E289 PolarHBondContact NZ-OE2 3.42Å
161V95.9Very high92.2Very high1 Ų137.8 Ų37.81%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-96.9139.1177.8-179.90000110.2N83 L127 Q130 L131 I153 M154N83-V161 WeakPolarHBondContact CA-O 3.45Å; N83-V161 VanDerWaalsContact CB-O 3.32Å; N83-V161 WeakPolarHBondContact CB-O 3.47Å; N83-V161 PolarHBondContact ND2-O 3.33Å; L127-V161 HydrophobicContact CB-CG2 3.96Å; L127-V161 HydrophobicContact CD2-CG2 3.56Å; L127-V161 HydrophobicContact CG-CG2 4.32Å; Q130-V161 HydrophobicContact CB-CB 3.89Å; Q130-V161 HydrophobicContact CB-CG2 4.07Å; L131-V161 HydrophobicContact CD2-CG1 3.61Å; L131-V161 HydrophobicContact CG-CG1 3.99Å; I153-V161 HydrophobicContact CG2-CG1 3.59Å; M154-V161 CarbonylContact O-C 3.53Å; M154-V161 VanDerWaalsContact O-CA 3.29Å; M154-V161 WeakPolarHBondContact O-CA 3.38Å
162K95.7Very high92.1Very high7 Ų735.8 Ų35.83%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-132.6126.8166.9-76.6-179.3177-77.40111.4P82 N83 E102 M154 E289P82-K162 WeakPolarHBondContact O-CE 3.39Å; P82-K162 PolarHBondContact O-NZ 2.98Å; N83-K162 CarbonylContact O-C 3.6Å; N83-K162 WeakPolarHBondContact O-CA 3.41Å; E102-K162 WeakPolarHBondContact OE1-CD 3.5Å; E102-K162 WeakPolarHBondContact OE1-CE 3.43Å; E102-K162 IonicContact OE1-NZ 3.78Å; E102-K162 PolarHBondContact OE1-NZ 3.42Å; E102-K162 WeakPolarHBondContact OE2-CE 3.47Å; E102-K162 IonicContact OE2-NZ 2.65Å; M154-K162 PolarHBondContact N-O 2.78Å; M154-K162 PolarHBondContact O-N 3.07Å; K162-E289 IonicContact NZ-OE2 3.32Å
163I96.5Very high92Very high0 Ų042.8 Ų42.80%022%0.216CC..EExtended strand (participates in β ladder)trans-76.5129.8170.4-59-177.3000108.8N83 I85 L131 A134 M135 H145 L148 F166N83-I163 PolarHBondContact O-N 2.85Å; I85-I163 WeakPolarHBondContact CB-O 3.29Å; I85-I163 PolarHBondContact N-O 2.67Å; L131-I163 HydrophobicContact CD2-CD1 4.04Å; L131-I163 HydrophobicContact CD2-CG1 3.83Å; A134-I163 HydrophobicContact CB-CD1 3.61Å; A134-I163 HydrophobicContact CB-CG1 4.23Å; M135-I163 HydrophobicContact CG-CD1 3.98Å; M135-I163 HydrophobicContact SD-CD1 3.68Å; H145-I163 WeakPolarHBondContact NE2-CG2 3.45Å; L148-I163 HydrophobicContact CD1-CD1 4.13Å; L148-I163 HydrophobicContact CD1-CG1 4.34Å; L148-I163 HydrophobicContact CD1-CG2 4.01Å; I163-F166 HydrophobicContact CG2-CE2 3.97Å; I163-F166 HydrophobicContact CG2-CZ 4.08Å
164I93.5Very high91.6Very high41 Ų4149.3 Ų49.321%0.2126%0.259CS..  trans-122.2164.2-17967.9165.1000111.3I85 N152 M154I85-I164 HydrophobicContact CB-CG2 4.13Å; I85-I164 HydrophobicContact CD1-CG2 4.08Å; I85-I164 HydrophobicContact CG1-CG2 4.34Å; N152-I164 HydrophobicContact CB-CG1 4.36Å; N152-I164 WeakPolarHBondContact O-CG1 3.43Å; N152-I164 PolarHBondContact O-N 3.31Å; M154-I164 HydrophobicContact CG-CD1 3.98Å; M154-I164 HydrophobicContact CG-CG1 4.4Å; M154-I164 HydrophobicContact CG-CG2 3.79Å; M154-I164 HydrophobicContact SD-CD1 4.26Å
165D88.6Confident91.3Very high53 Ų5351.3 Ų51.328%0.28329%0.286SS..  trans61.478.1175.5-164.810.3000116.1K57 G167K57-D165 IonicContact NZ-OD1 2.72Å; K57-D165 PolarHBondContact NZ-OD1 3.11Å; D165-G167 PolarHBondContact O-N 3.47Å; D165-G167 PolarHBondContact OD1-N 3.01Å; D165-G167 VanDerWaalsContact OD1-N 3.15Å
166F89.2Confident91.1Very high2 Ų255.2 Ų55.21%0.00930%0.304CS..  trans-82.417.6173.2-74.1-108.2000112.7E72 L76 V84 I85 I143 H145 I163 L168 S169E72-F166 HydrophobicContact CG-CB 4.24Å; L76-F166 HydrophobicContact CD2-CB 4.27Å; L76-F166 HydrophobicContact CD2-CD2 3.77Å; L76-F166 HydrophobicContact CD2-CE2 4.41Å; L76-F166 HydrophobicContact CD2-CG 4.09Å; L76-F166 HydrophobicContact CG-CB 4.34Å; V84-F166 HydrophobicContact CG1-CE2 3.71Å; V84-F166 HydrophobicContact CG1-CZ 3.62Å; V84-F166 HydrophobicContact CG2-CZ 4.44Å; I85-F166 HydrophobicContact CG2-CD2 4.4Å; I85-F166 HydrophobicContact CG2-CE2 4.39Å; I143-F166 HydrophobicContact CG2-CD1 4.38Å; I143-F166 HydrophobicContact CG2-CE1 4.28Å; H145-F166 AromaticContact CD2-CD1 3.99Å; H145-F166 AromaticContact CD2-CE1 3.77Å; H145-F166 AromaticContact CD2-CZ 3.86Å; I163-F166 HydrophobicContact CG2-CE2 3.97Å; I163-F166 HydrophobicContact CG2-CZ 4.08Å; F166-L168 PolarHBondContact O-N 3.19Å; F166-L168 VanDerWaalsContact O-N 3.13Å; F166-S169 VanDerWaalsContact CA-OG 3.29Å; F166-S169 WeakPolarHBondContact CA-OG 3.29Å; F166-S169 WeakPolarHBondContact CB-OG 3.26Å; F166-S169 VanDerWaalsContact CD1-OG 3.29Å; F166-S169 WeakPolarHBondContact CD1-OG 3.32Å; F166-S169 VanDerWaalsContact O-CB 3.32Å; F166-S169 WeakPolarHBondContact O-CB 3.48Å; F166-S169 PolarHBondContact O-N 2.77Å; F166-S169 PolarHBondContact O-OG 2.9Å
167G83.3Confident91.1Very high20 Ų2058.7 Ų58.721%0.20632%0.318CS..THydrogen-bonded Turntrans-65.8-15.1-17500000115.5E72 D165E72-G167 PolarHBondContact OE1-N 3.32Å; E72-G167 VanDerWaalsContact OE2-CA 3.31Å; E72-G167 WeakPolarHBondContact OE2-CA 2.94Å; D165-G167 PolarHBondContact O-N 3.47Å; D165-G167 PolarHBondContact OD1-N 3.01Å; D165-G167 VanDerWaalsContact OD1-N 3.15Å
168L83.2Confident91.2Very high33 Ų3351.2 Ų51.217%0.17329%0.286CS..THydrogen-bonded Turntrans-111.84.5170.1-69.9179.4000113.1H145 R146 D147 F166 C182H145-L168 CarbonylContact O-C 3.35Å; R146-L168 PolarHBondContact NE-O 2.83Å; R146-L168 PolarHBondContact NH2-O 3.31Å; D147-L168 HydrophobicContact CB-CB 3.99Å; D147-L168 HydrophobicContact CB-CD1 3.68Å; D147-L168 HydrophobicContact CB-CG 4.37Å; F166-L168 PolarHBondContact O-N 3.19Å; F166-L168 VanDerWaalsContact O-N 3.13Å; L168-C182 HydrophobicContact CD1-CB 4.26Å; L168-C182 HydrophobicContact CD2-CB 4.11Å
169S89.6Confident91.1Very high3 Ų350.9 Ų50.92%0.02129%0.285CS..  trans-72.8164-179.2-54.70000112.6V144 H145 R146 F166V144-S169 CarbonylContact O-C 3.54Å; V144-S169 WeakPolarHBondContact O-CA 3.46Å; V144-S169 VanDerWaalsContact O-CB 3.26Å; V144-S169 WeakPolarHBondContact O-CB 3.46Å; H145-S169 WeakPolarHBondContact CA-OG 3.29Å; H145-S169 WeakPolarHBondContact O-CA 3.28Å; H145-S169 PolarHBondContact O-OG 3.1Å; R146-S169 PolarHBondContact NH2-O 3.42Å; F166-S169 VanDerWaalsContact CA-OG 3.29Å; F166-S169 WeakPolarHBondContact CA-OG 3.29Å; F166-S169 WeakPolarHBondContact CB-OG 3.26Å; F166-S169 VanDerWaalsContact CD1-OG 3.29Å; F166-S169 WeakPolarHBondContact CD1-OG 3.32Å; F166-S169 VanDerWaalsContact O-CB 3.32Å; F166-S169 WeakPolarHBondContact O-CB 3.48Å; F166-S169 PolarHBondContact O-N 2.77Å; F166-S169 PolarHBondContact O-OG 2.9Å
170T90.8Very high90.9Very high25 Ų2552.9 Ų52.915%0.15329%0.289CS..EExtended strand (participates in β ladder)trans-150153.2175.8-173.80000111.2V144 V172 L178V144-T170 HydrophobicContact CB-CG2 4.32Å; V144-T170 PolarHBondContact N-O 2.91Å; V144-T170 PolarHBondContact O-N 2.93Å; T170-V172 HydrophobicContact CG2-CG1 4.19Å; T170-L178 HydrophobicContact CG2-CD1 3.72Å; T170-L178 HydrophobicContact CG2-CD2 3.99Å
171K91.2Very high90.3Very high102 Ų10253.8 Ų53.844%0.44329%0.293SS..EExtended strand (participates in β ladder)trans-80.8142.1163-158.9163-166.1158.30110.4L75 M78 Q141 G142L75-K171 HydrophobicContact CD2-CB 4.29Å; M78-K171 HydrophobicContact CE-CD 4.2Å; M78-K171 PolarHBondContact SD-NZ 3.3Å; Q141-K171 WeakPolarHBondContact O-CE 3.46Å; G142-K171 CarbonylContact O-C 3.55Å; G142-K171 VanDerWaalsContact O-CA 3.26Å; G142-K171 WeakPolarHBondContact O-CA 3.15Å
172V91.7Very high89.8Confident15 Ų1554 Ų549%0.09129%0.294CS..  trans-128.8148.8172-61.10000109.7G142 V144 T170 L178G142-V172 PolarHBondContact O-N 2.89Å; V144-V172 HydrophobicContact CG2-CB 4.4Å; V144-V172 HydrophobicContact CG2-CG1 3.8Å; V144-V172 HydrophobicContact CG2-CG2 3.65Å; T170-V172 HydrophobicContact CG2-CG1 4.19Å; V172-L178 HydrophobicContact CG1-CD1 3.83Å; V172-L178 HydrophobicContact CG1-CD2 3.89Å; V172-L178 HydrophobicContact CG1-CG 3.91Å
173K92.5Very high89.2Confident160 Ų16053.7 Ų53.770%0.69629%0.293SS*.  trans-88.1155.6165.2-63.6-177.9-179.6-177.80110.1G175 Q176K173-G175 PolarHBondContact O-N 3.17Å; K173-Q176 HydrophobicContact CB-CB 4.27Å; K173-Q176 WeakPolarHBondContact O-CB 3.29Å; K173-Q176 PolarHBondContact O-N 3.46Å
174P90.1Very high88.8Confident139 Ų13953.8 Ų53.890%0.90329%0.294SS*.THydrogen-bonded Turntrans-48.7131.2169-2836000111.5Q176P174-Q176 PolarHBondContact O-N 3.01Å
175G89.9Confident88.7Confident67 Ų6754.5 Ų54.569%0.69129%0.294SS*.THydrogen-bonded Turntrans77.5-11.9-176.900000116.4K173 K177K173-G175 PolarHBondContact O-N 3.17Å; G175-K177 PolarHBondContact O-N 2.79Å
176Q93Very high89Confident87 Ų8752.4 Ų52.441%0.40728%0.283SS..  trans-69.2121179-176.1-176.9-11.200111.1K173 P174K173-Q176 HydrophobicContact CB-CB 4.27Å; K173-Q176 WeakPolarHBondContact O-CB 3.29Å; K173-Q176 PolarHBondContact O-N 3.46Å; P174-Q176 PolarHBondContact O-N 3.01Å
177K93.4Very high89.2Confident110 Ų11052.7 Ų52.748%0.47828%0.284SS..EExtended strand (participates in β ladder)trans-86.1150.4171.1-56.2-59.4174.5-178.80111.4G175 P197 Y198 D199G175-K177 PolarHBondContact O-N 2.79Å; K177-P197 HydrophobicContact CB-CB 4.07Å; K177-Y198 VanDerWaalsContact CA-O 3.32Å; K177-Y198 WeakPolarHBondContact CA-O 3.5Å; K177-Y198 WeakPolarHBondContact CD-O 3.47Å; K177-D199 HydrophobicContact CD-CB 4.39Å; K177-D199 IonicContact NZ-OD2 2.66Å; K177-D199 PolarHBondContact NZ-OD2 2.73Å
178L91.8Very high89.8Confident13 Ų1352.1 Ų52.17%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-107.5147.1177.1-68.5175.1000110.2T170 V172 P197 Y198T170-L178 HydrophobicContact CG2-CD1 3.72Å; T170-L178 HydrophobicContact CG2-CD2 3.99Å; V172-L178 HydrophobicContact CG1-CD1 3.83Å; V172-L178 HydrophobicContact CG1-CD2 3.89Å; V172-L178 HydrophobicContact CG1-CG 3.91Å; L178-P197 CarbonylContact O-C 3.56Å; L178-P197 VanDerWaalsContact O-CA 3.31Å; L178-P197 WeakPolarHBondContact O-CA 3.49Å; L178-Y198 HydrophobicContact CB-CD2 3.95Å; L178-Y198 HydrophobicContact CB-CE1 4.26Å; L178-Y198 HydrophobicContact CB-CE2 3.4Å; L178-Y198 VanDerWaalsContact CB-CE2 3.4Å; L178-Y198 HydrophobicContact CD1-CE2 3.8Å; L178-Y198 HydrophobicContact CG-CE2 4.23Å; L178-Y198 PolarHBondContact N-O 2.9Å; L178-Y198 WeakPolarHBondContact O-CD1 3.45Å; L178-Y198 PolarHBondContact O-N 3.28Å
179N88.3Confident90.3Very high119 Ų11950.6 Ų50.664%0.63627%0.269SS*.  trans-127.6-2.3-17765.3-16000113.9F181N179-F181 WeakPolarHBondContact O-CE1 3.14Å; N179-F181 WeakPolarHBondContact O-CE2 3.37Å; N179-F181 WeakPolarHBondContact O-CZ 3.48Å
180L85.7Confident90.6Very high70 Ų7050.8 Ų50.837%0.36627%0.271SS..  trans-82.8128.1179.8-177.466.3000110.3C182 Y198L180-C182 PolarHBondContact O-N 3.5Å; L180-Y198 PolarHBondContact O-OH 3.32Å
181F83.5Confident90.8Very high62 Ų6250 Ų5027%0.27227%0.265SS..  trans-91.6101.7177.7-48.7-56.9000110.1N179 V192 S195 Y198 I431N179-F181 WeakPolarHBondContact O-CE1 3.14Å; N179-F181 WeakPolarHBondContact O-CE2 3.37Å; N179-F181 WeakPolarHBondContact O-CZ 3.48Å; F181-V192 HydrophobicContact CD1-CG1 4.27Å; F181-V192 VanDerWaalsContact CD1-O 3.28Å; F181-V192 WeakPolarHBondContact CD1-O 3.34Å; F181-S195 VanDerWaalsContact CZ-C 3.45Å; F181-S195 WeakPolarHBondContact CZ-O 3.49Å; F181-Y198 HydrophobicContact CD1-CE1 4.45Å; F181-Y198 HydrophobicContact CE1-CE1 4.37Å; F181-I431 HydrophobicContact CB-CG2 4.3Å
182C84.2Confident90.9Very high6 Ų645.4 Ų45.44%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-139163.3-179.860.90000111.4L168 L180 I431L168-C182 HydrophobicContact CD1-CB 4.26Å; L168-C182 HydrophobicContact CD2-CB 4.11Å; L180-C182 PolarHBondContact O-N 3.5Å; C182-I431 CarbonylContact C-O 3.46Å; C182-I431 VanDerWaalsContact CA-O 3.23Å; C182-I431 WeakPolarHBondContact CA-O 3.35Å
183G82.5Confident90.9Very high1 Ų146 Ų461%0.0125%0.248CC..EExtended strand (participates in β ladder)trans123.8-154.4174.100000112.3D147 C430 I431D147-G183 VanDerWaalsContact OD1-C 3.22Å; D147-G183 WeakPolarHBondContact OD1-CA 3.13Å; G183-C430 CarbonylContact O-C 3.6Å; G183-I431 PolarHBondContact N-O 3.43Å; G183-I431 VanDerWaalsContact N-O 3.09Å; G183-I431 WeakPolarHBondContact O-CA 3.15Å; G183-I431 PolarHBondContact O-N 3.17Å
184T89Confident90.9Very high2 Ų243.2 Ų43.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-124.4122.5-178.4-57.40000110.4D147 K149 P186 F187 S188 V428D147-T184 WeakPolarHBondContact OD1-CB 3.48Å; D147-T184 PolarHBondContact OD1-N 3.01Å; D147-T184 VanDerWaalsContact OD1-N 3.12Å; D147-T184 PolarHBondContact OD1-OG1 3.18Å; K149-T184 HydrophobicContact CD-CG2 4.32Å; K149-T184 WeakPolarHBondContact CD-OG1 3.36Å; K149-T184 PolarHBondContact NZ-OG1 3.36Å; T184-P186 VanDerWaalsContact O-N 3.16Å; T184-F187 HydrophobicContact CG2-CD2 3.98Å; T184-F187 HydrophobicContact CG2-CE2 4.45Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.21Å; T184-S188 PolarHBondContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.44Å; T184-S188 VanDerWaalsContact O-OG 3.06Å; T184-V428 HydrophobicContact CG2-CB 3.88Å; T184-V428 HydrophobicContact CG2-CG1 3.36Å
185Y92Very high90.7Very high56 Ų5640.2 Ų40.222%0.2222%0.223CC..G310 helixtrans-49.3-47.3-161.6-88.2-80000116.1F187 S188 L193 I227 V231 I234 P429 I431Y185-F187 PolarHBondContact O-N 2.81Å; Y185-S188 PolarHBondContact O-N 2.96Å; Y185-L193 HydrophobicContact CD1-CD2 3.9Å; Y185-L193 HydrophobicContact CE1-CD2 4.08Å; Y185-I227 HydrophobicContact CD1-CG2 3.86Å; Y185-I227 HydrophobicContact CD2-CD1 4.38Å; Y185-I227 HydrophobicContact CD2-CG2 4.34Å; Y185-I227 HydrophobicContact CE1-CG2 3.52Å; Y185-I227 HydrophobicContact CE2-CD1 4.07Å; Y185-I227 HydrophobicContact CE2-CG2 4.05Å; Y185-I227 HydrophobicContact CG-CG2 4.27Å; Y185-V231 HydrophobicContact CD1-CG2 4.13Å; Y185-V231 HydrophobicContact CE1-CG2 4.08Å; Y185-I234 VanDerWaalsContact O-CD1 3.25Å; Y185-I234 WeakPolarHBondContact O-CD1 3.35Å; Y185-P429 HydrophobicContact CD2-CB 4.02Å; Y185-P429 HydrophobicContact CD2-CG 4.42Å; Y185-P429 WeakPolarHBondContact CD2-O 3.44Å; Y185-P429 PolarHBondContact N-O 3.11Å; Y185-I431 HydrophobicContact CD1-CD1 3.74Å; Y185-I431 HydrophobicContact CD1-CG1 3.66Å; Y185-I431 HydrophobicContact CD2-CG1 3.54Å; Y185-I431 HydrophobicContact CE1-CD1 3.94Å; Y185-I431 HydrophobicContact CE1-CG1 3.78Å; Y185-I431 HydrophobicContact CE2-CB 4.39Å; Y185-I431 HydrophobicContact CE2-CG1 3.67Å; Y185-I431 HydrophobicContact CG-CD1 4.05Å; Y185-I431 HydrophobicContact CG-CG1 3.54Å
186P93.7Very high90.6Very high8 Ų839.9 Ų39.95%0.05221%0.207CC..G310 helixtrans-70.9-13.5-177.1-14.630000114.2T184 I220 L230 V428T184-P186 VanDerWaalsContact O-N 3.16Å; P186-I220 HydrophobicContact CB-CD1 4.26Å; P186-I220 HydrophobicContact CB-CG2 3.77Å; P186-L230 HydrophobicContact CB-CD2 4.33Å; P186-L230 HydrophobicContact CG-CD2 3.9Å; P186-V428 HydrophobicContact CG-CG1 3.71Å
187F94.9Very high90.6Very high8 Ų840.2 Ų40.24%0.03522%0.217CC..G310 helixtrans-100.5-13.5179.1-62-78.6000112.6K149 P150 T184 Y185 T207 V210 V211 I220 V428K149-F187 HydrophobicContact CB-CD1 4.39Å; K149-F187 HydrophobicContact CB-CD2 3.95Å; K149-F187 HydrophobicContact CB-CE1 4.45Å; K149-F187 HydrophobicContact CB-CE2 3.99Å; K149-F187 HydrophobicContact CB-CG 4.17Å; K149-F187 HydrophobicContact CB-CZ 4.27Å; P150-F187 HydrophobicContact CG-CE1 4.02Å; P150-F187 HydrophobicContact CG-CZ 4.05Å; T184-F187 HydrophobicContact CG2-CD2 3.98Å; T184-F187 HydrophobicContact CG2-CE2 4.45Å; T184-F187 WeakPolarHBondContact O-CB 3.4Å; T184-F187 PolarHBondContact O-N 3.21Å; Y185-F187 PolarHBondContact O-N 2.81Å; F187-T207 HydrophobicContact CB-CG2 4.17Å; F187-T207 PolarHBondContact O-OG1 2.91Å; F187-V210 HydrophobicContact CD1-CB 4.11Å; F187-V210 HydrophobicContact CD1-CG1 3.42Å; F187-V210 VanDerWaalsContact CD1-CG1 3.42Å; F187-V210 HydrophobicContact CE1-CG1 3.74Å; F187-V210 HydrophobicContact CG-CG1 4.33Å; F187-V211 HydrophobicContact CD1-CG2 4.47Å; F187-I220 HydrophobicContact CZ-CD1 4.18Å; F187-V428 HydrophobicContact CE2-CG1 4.48Å
188S94.3Very high90.6Very high8 Ų835.2 Ų35.26%0.05620%0.195CC..  trans-72.3138.9-174.5-54.40000113.1T184 Y185 W206 I431T184-S188 PolarHBondContact O-N 3.09Å; T184-S188 PolarHBondContact O-OG 3.44Å; T184-S188 VanDerWaalsContact O-OG 3.06Å; Y185-S188 PolarHBondContact O-N 2.96Å; S188-W206 PolarHBondContact O-NE1 2.61Å; S188-I431 WeakPolarHBondContact OG-CD1 3.24Å
189A95.1Very high90.8Very high1 Ų136.8 Ų36.81%0.00820%0.204CC..  trans-70.1150.6175.600000112.1E191 V192 L193 I203 W206A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 HydrophobicContact CB-CG 4.42Å; A189-E191 WeakPolarHBondContact CB-OE1 3.49Å; A189-E191 WeakPolarHBondContact CB-OE2 3.4Å; A189-E191 PolarHBondContact O-N 3.08Å; A189-V192 HydrophobicContact CB-CG2 4.38Å; A189-V192 WeakPolarHBondContact O-CB 3.47Å; A189-V192 PolarHBondContact O-N 3.1Å; A189-L193 PolarHBondContact O-N 2.73Å; A189-I203 HydrophobicContact CB-CB 4.01Å; A189-I203 HydrophobicContact CB-CG2 4.38Å; A189-W206 HydrophobicContact CB-CB 3.8Å; A189-W206 HydrophobicContact CB-CD2 4.21Å; A189-W206 HydrophobicContact CB-CG 3.68Å
190P95Very high91.1Very high7 Ų731.1 Ų31.15%0.04517%0.173CC..Hα-helixtrans-52.4-42.7-178.1-28.635.8000113.7V192 L193 L194 W206 I234 L235P190-V192 VanDerWaalsContact C-N 3.27Å; P190-V192 PolarHBondContact O-N 2.94Å; P190-L193 WeakPolarHBondContact O-CB 3.38Å; P190-L193 PolarHBondContact O-N 3.36Å; P190-L194 WeakPolarHBondContact O-CG 3.37Å; P190-L194 PolarHBondContact O-N 3.08Å; P190-W206 HydrophobicContact CG-CE3 4.27Å; P190-W206 HydrophobicContact CG-CH2 3.58Å; P190-W206 HydrophobicContact CG-CZ2 4Å; P190-W206 HydrophobicContact CG-CZ3 3.72Å; P190-I234 HydrophobicContact CG-CG2 4.08Å; P190-L235 HydrophobicContact CB-CD2 3.97Å
191E94.6Very high91.6Very high8 Ų829.5 Ų29.54%0.03717%0.167CC..Hα-helixtrans-64.5-25.1-17962.5-87.1-159.200114.4A189 T196 I203 P261 R264A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 HydrophobicContact CB-CG 4.42Å; A189-E191 WeakPolarHBondContact CB-OE1 3.49Å; A189-E191 WeakPolarHBondContact CB-OE2 3.4Å; A189-E191 PolarHBondContact O-N 3.08Å; E191-T196 PolarHBondContact O-N 3.41Å; E191-T196 PolarHBondContact O-OG1 3.43Å; E191-I203 HydrophobicContact CG-CG2 4.35Å; E191-P261 HydrophobicContact CB-CG 4.49Å; E191-P261 HydrophobicContact CG-CG 4.34Å; E191-R264 IonicContact OE1-CZ 2.61Å; E191-R264 IonicContact OE1-NH1 3.82Å; E191-R264 PolarHBondContact OE1-NH1 3.17Å; E191-R264 IonicContact OE1-NH2 2.63Å; E191-R264 PolarHBondContact OE1-NH2 3.32Å; E191-R264 IonicContact OE2-CZ 3.08Å; E191-R264 IonicContact OE2-NH1 2.84Å; E191-R264 IonicContact OE2-NH2 3.68Å; E191-R264 PolarHBondContact OE2-NH2 3.02Å; E191-R264 VanDerWaalsContact OE2-NH2 3.08Å
192V93.4Very high92.2Very high6 Ų628.1 Ų28.14%0.03616%0.161CC..Hα-helixtrans-73.1-37.6171.9-176.90000110.1F181 A189 P190 S195 Y198 I203F181-V192 HydrophobicContact CD1-CG1 4.27Å; F181-V192 VanDerWaalsContact CD1-O 3.28Å; F181-V192 WeakPolarHBondContact CD1-O 3.34Å; A189-V192 HydrophobicContact CB-CG2 4.38Å; A189-V192 WeakPolarHBondContact O-CB 3.47Å; A189-V192 PolarHBondContact O-N 3.1Å; P190-V192 VanDerWaalsContact C-N 3.27Å; P190-V192 PolarHBondContact O-N 2.94Å; V192-S195 PolarHBondContact O-N 3.27Å; V192-Y198 HydrophobicContact CG2-CD1 4.14Å; V192-Y198 HydrophobicContact CG2-CE1 4.18Å; V192-Y198 HydrophobicContact CG2-CG 4.34Å; V192-I203 HydrophobicContact CG2-CB 4.23Å; V192-I203 HydrophobicContact CG2-CD1 4.09Å; V192-I203 HydrophobicContact CG2-CG2 3.91Å
193L92.5Very high92.8Very high27 Ų2728.1 Ų28.114%0.14116%0.161CC..Hα-helixtrans-77-27.3-179.9-58177.5000112.9Y185 A189 P190 S195 V231 I234 L235 I431Y185-L193 HydrophobicContact CD1-CD2 3.9Å; Y185-L193 HydrophobicContact CE1-CD2 4.08Å; A189-L193 PolarHBondContact O-N 2.73Å; P190-L193 WeakPolarHBondContact O-CB 3.38Å; P190-L193 PolarHBondContact O-N 3.36Å; L193-S195 PolarHBondContact O-N 3.36Å; L193-V231 HydrophobicContact CB-CG1 4.27Å; L193-V231 HydrophobicContact CD1-CG1 4.3Å; L193-V231 HydrophobicContact CD1-CG2 4.24Å; L193-V231 HydrophobicContact CD2-CG2 4.31Å; L193-I234 HydrophobicContact CD1-CB 3.8Å; L193-I234 HydrophobicContact CD1-CD1 3.73Å; L193-I234 HydrophobicContact CD1-CG1 4.38Å; L193-I234 HydrophobicContact CD1-CG2 3.54Å; L193-L235 HydrophobicContact CB-CD2 4.18Å; L193-I431 HydrophobicContact CD2-CD1 3.58Å
194L91.6Very high93.5Very high102 Ų10228 Ų2853%0.53416%0.16SC..THydrogen-bonded Turntrans-72.8-4.6173.2-69.9174.7000113.7P190 T196 L235P190-L194 WeakPolarHBondContact O-CG 3.37Å; P190-L194 PolarHBondContact O-N 3.08Å; L194-T196 HydrophobicContact CB-CG2 4.15Å; L194-T196 PolarHBondContact O-N 3.17Å; L194-L235 HydrophobicContact CD1-CD2 4.33Å; L194-L235 HydrophobicContact CD2-CD1 3.96Å; L194-L235 HydrophobicContact CD2-CD2 3.68Å; L194-L235 HydrophobicContact CD2-CG 4.46Å; L194-L235 HydrophobicContact CG-CD2 3.63Å
195S86.4Confident94Very high76 Ų7628 Ų2853%0.53116%0.16SC..THydrogen-bonded Turntrans59.526-176-54.10000114.8F181 V192 L193F181-S195 VanDerWaalsContact CZ-C 3.45Å; F181-S195 WeakPolarHBondContact CZ-O 3.49Å; V192-S195 PolarHBondContact O-N 3.27Å; L193-S195 PolarHBondContact O-N 3.36Å
196T87.9Confident94.2Very high60 Ų6025.3 Ų25.337%0.36815%0.149SC..  trans-95149.2-179.950.50000112.1E191 L194 Y198E191-T196 PolarHBondContact O-N 3.41Å; E191-T196 PolarHBondContact O-OG1 3.43Å; L194-T196 HydrophobicContact CB-CG2 4.15Å; L194-T196 PolarHBondContact O-N 3.17Å; T196-Y198 WeakPolarHBondContact O-CD1 3.4Å; T196-Y198 PolarHBondContact O-N 3.07Å
197P93Very high94.4Very high94 Ų9425.2 Ų25.261%0.6115%0.149SC*.  trans-57.6121.1171.2-24.334.6000111.8K177 L178K177-P197 HydrophobicContact CB-CB 4.07Å; L178-P197 CarbonylContact O-C 3.56Å; L178-P197 VanDerWaalsContact O-CA 3.31Å; L178-P197 WeakPolarHBondContact O-CA 3.49Å
198Y94Very high94.6Very high5 Ų524.9 Ų24.92%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-117.3161.4-16959.1-99.4000113.1K177 L178 L180 F181 V192 T196 I203K177-Y198 VanDerWaalsContact CA-O 3.32Å; K177-Y198 WeakPolarHBondContact CA-O 3.5Å; K177-Y198 WeakPolarHBondContact CD-O 3.47Å; L178-Y198 HydrophobicContact CB-CD2 3.95Å; L178-Y198 HydrophobicContact CB-CE1 4.26Å; L178-Y198 HydrophobicContact CB-CE2 3.4Å; L178-Y198 VanDerWaalsContact CB-CE2 3.4Å; L178-Y198 HydrophobicContact CD1-CE2 3.8Å; L178-Y198 HydrophobicContact CG-CE2 4.23Å; L178-Y198 PolarHBondContact N-O 2.9Å; L178-Y198 WeakPolarHBondContact O-CD1 3.45Å; L178-Y198 PolarHBondContact O-N 3.28Å; L180-Y198 PolarHBondContact O-OH 3.32Å; F181-Y198 HydrophobicContact CD1-CE1 4.45Å; F181-Y198 HydrophobicContact CE1-CE1 4.37Å; V192-Y198 HydrophobicContact CG2-CD1 4.14Å; V192-Y198 HydrophobicContact CG2-CE1 4.18Å; V192-Y198 HydrophobicContact CG2-CG 4.34Å; T196-Y198 WeakPolarHBondContact O-CD1 3.4Å; T196-Y198 PolarHBondContact O-N 3.07Å; Y198-I203 HydrophobicContact CD2-CD1 4.11Å; Y198-I203 HydrophobicContact CD2-CG2 3.44Å; Y198-I203 VanDerWaalsContact CD2-CG2 3.44Å; Y198-I203 HydrophobicContact CE2-CD1 3.55Å; Y198-I203 HydrophobicContact CE2-CG2 4Å; Y198-I203 HydrophobicContact CG-CG2 4.06Å
199D94.8Very high94.8Very high46 Ų4624.5 Ų24.525%0.24614%0.144CC..EExtended strand (participates in β ladder)trans-87113.9174.1-159.1-64.6000109.4K177 P201 K202 I203K177-D199 HydrophobicContact CD-CB 4.39Å; K177-D199 IonicContact NZ-OD2 2.66Å; K177-D199 PolarHBondContact NZ-OD2 2.73Å; D199-P201 WeakPolarHBondContact OD1-CD 2.99Å; D199-K202 HydrophobicContact CB-CB 4.14Å; D199-K202 HydrophobicContact CB-CG 3.86Å; D199-K202 PolarHBondContact O-N 3.1Å; D199-I203 WeakPolarHBondContact O-CG2 3.12Å; D199-I203 PolarHBondContact O-N 2.99Å
200G94.5Very high94.9Very high0 Ų024.5 Ų24.50%014%0.144CC..Hα-helixtrans-54.3-60.9-17100000113.6V144 K202 I203V144-G200 WeakPolarHBondContact CG1-O 3.47Å; G200-K202 PolarHBondContact O-N 2.6Å; G200-K202 VanDerWaalsContact O-N 3.13Å; G200-I203 WeakPolarHBondContact O-CG1 3.42Å; G200-I203 PolarHBondContact O-N 3.12Å
201P96.6Very high95.1Very high36 Ų3624.1 Ų24.123%0.23414%0.142CC..Hα-helixtrans-48.7-38.6176.4-33.338.6000114.7H139 V144 D199 I203 D204 V205H139-P201 PolarHBondContact CE1-O 3Å; H139-P201 VanDerWaalsContact CE1-O 3.26Å; V144-P201 HydrophobicContact CG2-CG 4.23Å; D199-P201 WeakPolarHBondContact OD1-CD 2.99Å; P201-I203 VanDerWaalsContact C-N 3.33Å; P201-I203 PolarHBondContact O-N 2.94Å; P201-D204 PolarHBondContact O-N 2.65Å; P201-V205 WeakPolarHBondContact O-CG2 3.49Å; P201-V205 PolarHBondContact O-N 3.12Å
202K97.2Very high95.3Very high34 Ų3423.8 Ų23.815%0.14814%0.14CC..Hα-helixtrans-65.8-31.5-179.9-60.6-66.5-176.5177.50112.8D199 G200 V205 W206 P261 R264 P265D199-K202 HydrophobicContact CB-CB 4.14Å; D199-K202 HydrophobicContact CB-CG 3.86Å; D199-K202 PolarHBondContact O-N 3.1Å; G200-K202 PolarHBondContact O-N 2.6Å; G200-K202 VanDerWaalsContact O-N 3.13Å; K202-V205 PolarHBondContact O-N 2.66Å; K202-W206 PolarHBondContact O-N 3.4Å; K202-P261 HydrophobicContact CB-CB 4.2Å; K202-R264 PolarHBondContact NZ-O 3.19Å; K202-R264 WeakPolarHBondContact O-CD 3.44Å; K202-R264 PolarHBondContact O-NH1 3.48Å; K202-P265 VanDerWaalsContact NZ-C 3.32Å; K202-P265 PolarHBondContact NZ-O 2.91Å
203I96.4Very high95.5Very high5 Ų524 Ų243%0.02614%0.14CC..Hα-helixtrans-70.6-34.5178.491.4-172000111.4R146 A189 E191 V192 Y198 D199 G200 P201 V205 W206 T207R146-I203 HydrophobicContact CB-CD1 4.19Å; R146-I203 HydrophobicContact CG-CD1 3.89Å; A189-I203 HydrophobicContact CB-CB 4.01Å; A189-I203 HydrophobicContact CB-CG2 4.38Å; E191-I203 HydrophobicContact CG-CG2 4.35Å; V192-I203 HydrophobicContact CG2-CB 4.23Å; V192-I203 HydrophobicContact CG2-CD1 4.09Å; V192-I203 HydrophobicContact CG2-CG2 3.91Å; Y198-I203 HydrophobicContact CD2-CD1 4.11Å; Y198-I203 HydrophobicContact CD2-CG2 3.44Å; Y198-I203 VanDerWaalsContact CD2-CG2 3.44Å; Y198-I203 HydrophobicContact CE2-CD1 3.55Å; Y198-I203 HydrophobicContact CE2-CG2 4Å; Y198-I203 HydrophobicContact CG-CG2 4.06Å; D199-I203 WeakPolarHBondContact O-CG2 3.12Å; D199-I203 PolarHBondContact O-N 2.99Å; G200-I203 WeakPolarHBondContact O-CG1 3.42Å; G200-I203 PolarHBondContact O-N 3.12Å; P201-I203 VanDerWaalsContact C-N 3.33Å; P201-I203 PolarHBondContact O-N 2.94Å; I203-V205 VanDerWaalsContact C-N 3.34Å; I203-W206 PolarHBondContact O-N 3.27Å; I203-T207 PolarHBondContact O-N 3.46Å; I203-T207 VanDerWaalsContact O-N 3.08Å; I203-T207 PolarHBondContact O-OG1 2.95Å
204D97.4Very high95.8Very high0 Ų023.3 Ų23.30%014%0.136CC..Hα-helixtrans-67.4-36.4174.7-68.6-21000110.6M135 H139 V144 H145 R146 P201 T207 L208M135-D204 HydrophobicContact CE-CB 3.83Å; M135-D204 VanDerWaalsContact CE-OD2 3.28Å; M135-D204 WeakPolarHBondContact CE-OD2 3.44Å; H139-D204 IonicContact CD2-OD2 3.4Å; H139-D204 IonicContact CE1-OD2 2.68Å; H139-D204 IonicContact NE2-OD2 3.38Å; H139-D204 PolarHBondContact NE2-OD2 3.32Å; V144-D204 WeakPolarHBondContact CG1-OD2 3.35Å; H145-D204 PolarHBondContact N-OD1 3.05Å; H145-D204 PolarHBondContact N-OD2 2.85Å; R146-D204 PolarHBondContact N-OD1 3.47Å; P201-D204 PolarHBondContact O-N 2.65Å; D204-T207 CarbonylContact O-C 3.57Å; D204-T207 WeakPolarHBondContact O-CA 3.34Å; D204-T207 WeakPolarHBondContact O-CB 3.33Å; D204-T207 PolarHBondContact O-N 3.21Å; D204-T207 VanDerWaalsContact O-N 3.13Å; D204-L208 WeakPolarHBondContact O-CG 3.42Å; D204-L208 PolarHBondContact O-N 3.24Å
205V98.3Very high96.1Very high1 Ų118.5 Ų18.51%0.00611%0.111CC..Hα-helixtrans-63-40.8175177.80000112.3P201 K202 I203 T207 L208 G209 L256 R264 P265 V267P201-V205 WeakPolarHBondContact O-CG2 3.49Å; P201-V205 PolarHBondContact O-N 3.12Å; K202-V205 PolarHBondContact O-N 2.66Å; I203-V205 VanDerWaalsContact C-N 3.34Å; V205-T207 VanDerWaalsContact C-N 3.3Å; V205-T207 PolarHBondContact O-N 2.84Å; V205-L208 PolarHBondContact O-N 3.3Å; V205-G209 PolarHBondContact O-N 2.96Å; V205-L256 HydrophobicContact CG1-CD2 3.55Å; V205-R264 HydrophobicContact CB-CG 4.33Å; V205-R264 HydrophobicContact CG1-CG 3.78Å; V205-P265 HydrophobicContact CG1-CG 4.34Å; V205-V267 HydrophobicContact CG2-CG2 3.82Å
206W97.8Very high96.6Very high0 Ų014.9 Ų14.90%09%0.086CC..Hα-helixtrans-59.4-45.7170.9171.5-82.5000111.1S188 A189 P190 K202 I203 L208 G209 V210 F222 I234 L256 M257S188-W206 PolarHBondContact O-NE1 2.61Å; A189-W206 HydrophobicContact CB-CB 3.8Å; A189-W206 HydrophobicContact CB-CD2 4.21Å; A189-W206 HydrophobicContact CB-CG 3.68Å; P190-W206 HydrophobicContact CG-CE3 4.27Å; P190-W206 HydrophobicContact CG-CH2 3.58Å; P190-W206 HydrophobicContact CG-CZ2 4Å; P190-W206 HydrophobicContact CG-CZ3 3.72Å; K202-W206 PolarHBondContact O-N 3.4Å; I203-W206 PolarHBondContact O-N 3.27Å; W206-L208 VanDerWaalsContact C-N 3.33Å; W206-L208 PolarHBondContact O-N 3.26Å; W206-G209 WeakPolarHBondContact O-CA 3.21Å; W206-G209 PolarHBondContact O-N 3.28Å; W206-V210 PolarHBondContact O-N 2.85Å; W206-F222 HydrophobicContact CH2-CE2 4.04Å; W206-F222 AromaticContact CH2-CZ 3.88Å; W206-F222 HydrophobicContact CH2-CZ 3.88Å; W206-F222 HydrophobicContact CZ2-CD2 4.28Å; W206-F222 AromaticContact CZ2-CE2 3.42Å; W206-F222 HydrophobicContact CZ2-CE2 3.42Å; W206-F222 VanDerWaalsContact CZ2-CE2 3.42Å; W206-F222 AromaticContact CZ2-CZ 3.75Å; W206-F222 HydrophobicContact CZ2-CZ 3.75Å; W206-I234 HydrophobicContact CZ2-CG2 3.97Å; W206-L256 WeakPolarHBondContact CA-O 3.46Å; W206-M257 HydrophobicContact CE3-CB 4.21Å; W206-M257 HydrophobicContact CH2-CB 4.43Å; W206-M257 VanDerWaalsContact CZ3-C 3.49Å; W206-M257 HydrophobicContact CZ3-CB 4.11Å; W206-M257 WeakPolarHBondContact CZ3-O 3.39Å
207T97.6Very high97.1Very high6 Ų612.7 Ų12.74%0.0377%0.072CC..Hα-helixtrans-62.7-39.8-177.9-54.20000111.7L148 F187 I203 D204 V205 G209 V210 V211L148-T207 HydrophobicContact CB-CG2 3.74Å; L148-T207 HydrophobicContact CD2-CG2 4.49Å; L148-T207 HydrophobicContact CG-CG2 4.35Å; L148-T207 WeakPolarHBondContact O-CG2 3.3Å; F187-T207 HydrophobicContact CB-CG2 4.17Å; F187-T207 PolarHBondContact O-OG1 2.91Å; I203-T207 PolarHBondContact O-N 3.46Å; I203-T207 VanDerWaalsContact O-N 3.08Å; I203-T207 PolarHBondContact O-OG1 2.95Å; D204-T207 CarbonylContact O-C 3.57Å; D204-T207 WeakPolarHBondContact O-CA 3.34Å; D204-T207 WeakPolarHBondContact O-CB 3.33Å; D204-T207 PolarHBondContact O-N 3.21Å; D204-T207 VanDerWaalsContact O-N 3.13Å; V205-T207 VanDerWaalsContact C-N 3.3Å; V205-T207 PolarHBondContact O-N 2.84Å; T207-G209 VanDerWaalsContact C-N 3.31Å; T207-G209 PolarHBondContact O-N 2.96Å; T207-V210 PolarHBondContact O-N 3.04Å; T207-V211 WeakPolarHBondContact O-CG2 3.28Å; T207-V211 PolarHBondContact O-N 3.07Å
208L98.5Very high97.3Very high1 Ų19.5 Ų9.51%0.0056%0.056CC..Hα-helixtrans-58.1-40.8171-76.9167.1000111.9F128 L131 L132 M135 L148 D204 V205 W206 V211 L212 V267F128-L208 HydrophobicContact CE2-CB 4.06Å; F128-L208 HydrophobicContact CE2-CD2 3.95Å; F128-L208 HydrophobicContact CZ-CB 4.1Å; F128-L208 HydrophobicContact CZ-CD2 4.48Å; L131-L208 HydrophobicContact CB-CD2 4.19Å; L132-L208 HydrophobicContact CD2-CD1 4.15Å; M135-L208 HydrophobicContact CB-CD1 4.2Å; M135-L208 HydrophobicContact CG-CD1 4.15Å; M135-L208 HydrophobicContact CG-CD2 4.21Å; L148-L208 HydrophobicContact CD2-CD2 3.75Å; L148-L208 HydrophobicContact CD2-CG 4.05Å; D204-L208 WeakPolarHBondContact O-CG 3.42Å; D204-L208 PolarHBondContact O-N 3.24Å; V205-L208 PolarHBondContact O-N 3.3Å; W206-L208 VanDerWaalsContact C-N 3.33Å; W206-L208 PolarHBondContact O-N 3.26Å; L208-V211 PolarHBondContact O-N 3.13Å; L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 PolarHBondContact O-N 2.63Å; L208-V267 HydrophobicContact CD1-CG2 4.22Å
209G98.2Very high97.3Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-62.6-41.9173.600000113.6V205 W206 T207 L212 Y213V205-G209 PolarHBondContact O-N 2.96Å; W206-G209 WeakPolarHBondContact O-CA 3.21Å; W206-G209 PolarHBondContact O-N 3.28Å; T207-G209 VanDerWaalsContact C-N 3.31Å; T207-G209 PolarHBondContact O-N 2.96Å; G209-L212 PolarHBondContact O-N 3.25Å; G209-Y213 WeakPolarHBondContact O-CB 3.48Å; G209-Y213 PolarHBondContact O-N 3.43Å
210V98Very high97.3Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-64.7-40.7175.2-179.60000111.4F187 W206 T207 F214 I220 P221 M257F187-V210 HydrophobicContact CD1-CB 4.11Å; F187-V210 HydrophobicContact CD1-CG1 3.42Å; F187-V210 VanDerWaalsContact CD1-CG1 3.42Å; F187-V210 HydrophobicContact CE1-CG1 3.74Å; F187-V210 HydrophobicContact CG-CG1 4.33Å; W206-V210 PolarHBondContact O-N 2.85Å; T207-V210 PolarHBondContact O-N 3.04Å; V210-F214 WeakPolarHBondContact O-CB 3.45Å; V210-F214 PolarHBondContact O-N 3.41Å; V210-I220 HydrophobicContact CG1-CG2 4.5Å; V210-P221 HydrophobicContact CB-CG 4.42Å; V210-P221 HydrophobicContact CG1-CG 3.96Å; V210-P221 HydrophobicContact CG2-CG 4.26Å; V210-M257 HydrophobicContact CG2-CG 4.43Å; V210-M257 HydrophobicContact CG2-SD 4.01Å
211V98.2Very high97.4Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-65.5-46.9176170.10000111.1L109 L131 P150 I153 F187 T207 L208 Y213 F214 M215L109-V211 HydrophobicContact CD2-CG1 3.78Å; L131-V211 HydrophobicContact CD1-CG1 4.22Å; P150-V211 HydrophobicContact CG-CG2 4.43Å; I153-V211 HydrophobicContact CD1-CG1 3.85Å; I153-V211 HydrophobicContact CD1-CG2 4.31Å; F187-V211 HydrophobicContact CD1-CG2 4.47Å; T207-V211 WeakPolarHBondContact O-CG2 3.28Å; T207-V211 PolarHBondContact O-N 3.07Å; L208-V211 PolarHBondContact O-N 3.13Å; V211-Y213 PolarHBondContact O-N 3.41Å; V211-F214 WeakPolarHBondContact O-CB 3.25Å; V211-F214 PolarHBondContact O-N 2.81Å; V211-F214 VanDerWaalsContact O-N 3.13Å; V211-M215 HydrophobicContact CG1-CG 4.49Å; V211-M215 HydrophobicContact CG1-SD 3.9Å; V211-M215 VanDerWaalsContact O-CG 3.31Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 2.86Å
212L98.5Very high97.2Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-60.8-45.1177.4-179.559.2000111.6F128 L208 G209 F214 M215 V216 L249 L252 L253 L256 W275F128-L212 HydrophobicContact CB-CD1 4.32Å; F128-L212 HydrophobicContact CD1-CD1 4.4Å; F128-L212 HydrophobicContact CD1-CD2 4.22Å; F128-L212 HydrophobicContact CD2-CB 4.08Å; F128-L212 HydrophobicContact CD2-CD1 4.12Å; F128-L212 HydrophobicContact CD2-CG 4.49Å; F128-L212 HydrophobicContact CE1-CD2 3.92Å; F128-L212 HydrophobicContact CE2-CB 3.78Å; F128-L212 HydrophobicContact CE2-CD2 4.36Å; F128-L212 HydrophobicContact CE2-CG 4.45Å; F128-L212 HydrophobicContact CG-CD1 4.04Å; F128-L212 HydrophobicContact CZ-CB 4.16Å; F128-L212 HydrophobicContact CZ-CD2 4.01Å; L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 PolarHBondContact O-N 2.63Å; G209-L212 PolarHBondContact O-N 3.25Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 3.42Å; L212-M215 WeakPolarHBondContact O-CB 3.49Å; L212-M215 PolarHBondContact O-N 3.38Å; L212-V216 HydrophobicContact CD1-CG1 4.18Å; L212-V216 WeakPolarHBondContact O-CG2 3.45Å; L212-V216 PolarHBondContact O-N 3.38Å; L212-V216 VanDerWaalsContact O-N 3.07Å; L212-L249 HydrophobicContact CD1-CD1 4.37Å; L212-L249 HydrophobicContact CD2-CD1 3.73Å; L212-L249 HydrophobicContact CG-CD1 4.08Å; L212-L252 HydrophobicContact CD2-CD2 3.69Å; L212-L252 HydrophobicContact CD2-CG 4.09Å; L212-L253 HydrophobicContact CB-CD2 4.15Å; L212-L253 HydrophobicContact CD2-CD2 4.02Å; L212-L253 HydrophobicContact CG-CD2 3.97Å; L212-L256 HydrophobicContact CD2-CD1 4.1Å; L212-W275 HydrophobicContact CD1-CH2 3.71Å; L212-W275 HydrophobicContact CD1-CZ3 4Å; L212-W275 HydrophobicContact CD2-CZ3 4.26Å
213Y98.4Very high96.9Very high11 Ų1118.4 Ų18.44%0.04310%0.097CC..Hα-helixtrans-57.2-43.5173.8-176.9-79000111.3G209 V211 V216 T217 K219 P221 Y239 S240 L253 M257G209-Y213 WeakPolarHBondContact O-CB 3.48Å; G209-Y213 PolarHBondContact O-N 3.43Å; V211-Y213 PolarHBondContact O-N 3.41Å; Y213-V216 PolarHBondContact O-N 3.21Å; Y213-T217 HydrophobicContact CD1-CG2 4.21Å; Y213-T217 WeakPolarHBondContact CD1-OG1 3.14Å; Y213-T217 HydrophobicContact CD2-CG2 4.31Å; Y213-T217 HydrophobicContact CE1-CG2 3.99Å; Y213-T217 WeakPolarHBondContact CE1-OG1 3.2Å; Y213-T217 HydrophobicContact CE2-CG2 4.08Å; Y213-T217 HydrophobicContact CG-CG2 4.37Å; Y213-T217 WeakPolarHBondContact O-CB 2.96Å; Y213-T217 WeakPolarHBondContact O-CG2 3.42Å; Y213-T217 PolarHBondContact O-N 3.42Å; Y213-T217 PolarHBondContact O-OG1 3.21Å; Y213-K219 WeakPolarHBondContact CD1-O 3.28Å; Y213-K219 HydrophobicContact CE1-CB 4.46Å; Y213-K219 VanDerWaalsContact CE1-O 3.28Å; Y213-K219 WeakPolarHBondContact CE1-O 3.46Å; Y213-P221 HydrophobicContact CD1-CB 3.7Å; Y213-P221 VanDerWaalsContact CD1-CD 3.43Å; Y213-P221 HydrophobicContact CD1-CG 3.91Å; Y213-P221 HydrophobicContact CD2-CB 4.11Å; Y213-P221 HydrophobicContact CE1-CB 3.78Å; Y213-P221 HydrophobicContact CE1-CG 4.42Å; Y213-P221 HydrophobicContact CE2-CB 4.18Å; Y213-P221 HydrophobicContact CG-CB 3.87Å; Y213-P221 HydrophobicContact CG-CG 4.07Å; Y213-Y239 HydrophobicContact CD2-CD2 4.18Å; Y213-Y239 HydrophobicContact CE2-CD2 4Å; Y213-S240 PolarHBondContact OH-O 3.33Å; Y213-L253 HydrophobicContact CD2-CD1 4.39Å; Y213-M257 HydrophobicContact CD2-CE 4.26Å; Y213-M257 HydrophobicContact CG-CE 4.49Å
214F98Very high96.7Very high13 Ų1319.5 Ų19.56%0.05711%0.106CC..Hα-helixtrans-63.4-40.9177178.4-105.7000112.2Y110 I113 P150 V210 V211 L212 G218 K219 I220Y110-F214 HydrophobicContact CD2-CE1 4.32Å; Y110-F214 AromaticContact CD2-CZ 3.91Å; Y110-F214 HydrophobicContact CD2-CZ 3.91Å; Y110-F214 HydrophobicContact CE2-CZ 4.23Å; I113-F214 HydrophobicContact CB-CD1 4.3Å; I113-F214 HydrophobicContact CB-CE1 3.59Å; I113-F214 HydrophobicContact CB-CZ 3.97Å; I113-F214 HydrophobicContact CG1-CD1 4.06Å; I113-F214 HydrophobicContact CG1-CE1 3.75Å; I113-F214 HydrophobicContact CG2-CD1 4.2Å; I113-F214 HydrophobicContact CG2-CE1 3.69Å; I113-F214 HydrophobicContact CG2-CE2 4.3Å; I113-F214 HydrophobicContact CG2-CZ 3.74Å; P150-F214 HydrophobicContact CB-CD1 3.95Å; P150-F214 HydrophobicContact CB-CE1 3.84Å; P150-F214 HydrophobicContact CG-CD1 3.49Å; P150-F214 VanDerWaalsContact CG-CD1 3.49Å; P150-F214 HydrophobicContact CG-CE1 3.86Å; P150-F214 HydrophobicContact CG-CG 4.23Å; V210-F214 WeakPolarHBondContact O-CB 3.45Å; V210-F214 PolarHBondContact O-N 3.41Å; V211-F214 WeakPolarHBondContact O-CB 3.25Å; V211-F214 PolarHBondContact O-N 2.81Å; V211-F214 VanDerWaalsContact O-N 3.13Å; L212-F214 VanDerWaalsContact C-N 3.29Å; L212-F214 PolarHBondContact O-N 3.42Å; F214-G218 WeakPolarHBondContact O-CA 3.47Å; F214-G218 PolarHBondContact O-N 2.95Å; F214-K219 WeakPolarHBondContact CA-O 3.29Å; F214-I220 HydrophobicContact CD2-CG1 4.17Å
215M98.3Very high96.3Very high0 Ų023.7 Ų23.70%014%0.135CC..Hα-helixtrans-59.3-49.7176.6-67.5162.365.900112.1L109 I113 L119 A124 L127 F128 V211 L212L109-M215 HydrophobicContact CD1-CG 4.19Å; L109-M215 HydrophobicContact CD2-CG 3.93Å; L109-M215 HydrophobicContact CD2-SD 3.97Å; L109-M215 HydrophobicContact CG-CG 4.4Å; I113-M215 HydrophobicContact CD1-CB 4.17Å; I113-M215 HydrophobicContact CD1-CG 4.17Å; I113-M215 HydrophobicContact CG1-CG 4.49Å; L119-M215 HydrophobicContact CD1-CE 4.38Å; L119-M215 PolarHBondContact N-O 3.49Å; A124-M215 HydrophobicContact CB-CB 4.36Å; A124-M215 HydrophobicContact CB-CE 4.07Å; A124-M215 VanDerWaalsContact O-CE 3.24Å; A124-M215 WeakPolarHBondContact O-CE 3.2Å; L127-M215 HydrophobicContact CB-CE 3.73Å; L127-M215 HydrophobicContact CD1-CE 4.28Å; F128-M215 HydrophobicContact CB-CE 4.43Å; V211-M215 HydrophobicContact CG1-CG 4.49Å; V211-M215 HydrophobicContact CG1-SD 3.9Å; V211-M215 VanDerWaalsContact O-CG 3.31Å; V211-M215 WeakPolarHBondContact O-CG 3.46Å; V211-M215 PolarHBondContact O-N 2.86Å; L212-M215 WeakPolarHBondContact O-CB 3.49Å; L212-M215 PolarHBondContact O-N 3.38Å
216V98Very high96.1Very high0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-86.5-7.8-172.6-54.90000114.3A124 L212 Y213 R244 L245 L249A124-V216 HydrophobicContact CB-CG1 3.59Å; L212-V216 HydrophobicContact CD1-CG1 4.18Å; L212-V216 WeakPolarHBondContact O-CG2 3.45Å; L212-V216 PolarHBondContact O-N 3.38Å; L212-V216 VanDerWaalsContact O-N 3.07Å; Y213-V216 PolarHBondContact O-N 3.21Å; V216-R244 PolarHBondContact O-NH1 3.47Å; V216-R244 PolarHBondContact O-NH2 3.32Å; V216-L245 HydrophobicContact CB-CD2 4.23Å; V216-L245 HydrophobicContact CG2-CD1 3.82Å; V216-L245 HydrophobicContact CG2-CD2 4.28Å; V216-L249 HydrophobicContact CB-CD2 4.22Å; V216-L249 HydrophobicContact CG1-CD2 3.94Å; V216-L249 HydrophobicContact CG2-CD2 4.13Å
217T97.4Very high95.7Very high14 Ų1429.6 Ų29.69%0.08617%0.17CC..Hα-helixtrans-125.1-16.7-179.472.70000115.8Y213 K219 P242Y213-T217 HydrophobicContact CD1-CG2 4.21Å; Y213-T217 WeakPolarHBondContact CD1-OG1 3.14Å; Y213-T217 HydrophobicContact CD2-CG2 4.31Å; Y213-T217 HydrophobicContact CE1-CG2 3.99Å; Y213-T217 WeakPolarHBondContact CE1-OG1 3.2Å; Y213-T217 HydrophobicContact CE2-CG2 4.08Å; Y213-T217 HydrophobicContact CG-CG2 4.37Å; Y213-T217 WeakPolarHBondContact O-CB 2.96Å; Y213-T217 WeakPolarHBondContact O-CG2 3.42Å; Y213-T217 PolarHBondContact O-N 3.42Å; Y213-T217 PolarHBondContact O-OG1 3.21Å; T217-K219 PolarHBondContact O-N 3.34Å; T217-K219 PolarHBondContact OG1-N 3.39Å; T217-K219 PolarHBondContact OG1-O 3.04Å; T217-P242 HydrophobicContact CG2-CG 3.98Å
218G96.7Very high95.5Very high27 Ų2738.2 Ų38.228%0.27821%0.207SC..SBendtrans71.94.9-172.100000114.8G117 F214G117-G218 WeakPolarHBondContact O-CA 3.29Å; F214-G218 WeakPolarHBondContact O-CA 3.47Å; F214-G218 PolarHBondContact O-N 2.95Å
219K95.5Very high95.3Very high148 Ų14845.9 Ų45.964%0.64324%0.235SC*.SBendtrans-131.2151.5-170.8-63.8178.4-175.6178.20110.3Y213 F214 T217Y213-K219 WeakPolarHBondContact CD1-O 3.28Å; Y213-K219 HydrophobicContact CE1-CB 4.46Å; Y213-K219 VanDerWaalsContact CE1-O 3.28Å; Y213-K219 WeakPolarHBondContact CE1-O 3.46Å; F214-K219 WeakPolarHBondContact CA-O 3.29Å; T217-K219 PolarHBondContact O-N 3.34Å; T217-K219 PolarHBondContact OG1-N 3.39Å; T217-K219 PolarHBondContact OG1-O 3.04Å
220I94.2Very high95.1Very high50 Ų5046.1 Ų46.126%0.25624%0.237SC..  trans-82.1136.1171.9-58.6-178.7000107.7P186 F187 V210 F214 F222P186-I220 HydrophobicContact CB-CD1 4.26Å; P186-I220 HydrophobicContact CB-CG2 3.77Å; F187-I220 HydrophobicContact CZ-CD1 4.18Å; V210-I220 HydrophobicContact CG1-CG2 4.5Å; F214-I220 HydrophobicContact CD2-CG1 4.17Å; I220-F222 VanDerWaalsContact C-N 3.28Å; I220-F222 VanDerWaalsContact CG2-O 3.32Å; I220-F222 WeakPolarHBondContact CG2-O 3.49Å; I220-F222 PolarHBondContact O-N 3.29Å
221P95.6Very high94.9Very high5 Ų547.6 Ų47.63%0.03225%0.246CC..SBendtrans-65.4-31.4-176.323.3-30.3000112.7V210 Y213 Y239 M257V210-P221 HydrophobicContact CB-CG 4.42Å; V210-P221 HydrophobicContact CG1-CG 3.96Å; V210-P221 HydrophobicContact CG2-CG 4.26Å; Y213-P221 HydrophobicContact CD1-CB 3.7Å; Y213-P221 VanDerWaalsContact CD1-CD 3.43Å; Y213-P221 HydrophobicContact CD1-CG 3.91Å; Y213-P221 HydrophobicContact CD2-CB 4.11Å; Y213-P221 HydrophobicContact CE1-CB 3.78Å; Y213-P221 HydrophobicContact CE1-CG 4.42Å; Y213-P221 HydrophobicContact CE2-CB 4.18Å; Y213-P221 HydrophobicContact CG-CB 3.87Å; Y213-P221 HydrophobicContact CG-CG 4.07Å; P221-Y239 HydrophobicContact CB-CD2 4.35Å; P221-Y239 HydrophobicContact CB-CG 4.15Å; P221-M257 HydrophobicContact CB-SD 4.36Å; P221-M257 HydrophobicContact CG-SD 3.95Å
222F94.3Very high94.7Very high1 Ų155.4 Ų55.40%0.00428%0.28CS..SBendtrans-118.7111.9176.6-44.5-76.8000109.9W206 I220 L230 R233 I234 Y239 M257W206-F222 HydrophobicContact CH2-CE2 4.04Å; W206-F222 AromaticContact CH2-CZ 3.88Å; W206-F222 HydrophobicContact CH2-CZ 3.88Å; W206-F222 HydrophobicContact CZ2-CD2 4.28Å; W206-F222 AromaticContact CZ2-CE2 3.42Å; W206-F222 HydrophobicContact CZ2-CE2 3.42Å; W206-F222 VanDerWaalsContact CZ2-CE2 3.42Å; W206-F222 AromaticContact CZ2-CZ 3.75Å; W206-F222 HydrophobicContact CZ2-CZ 3.75Å; I220-F222 VanDerWaalsContact C-N 3.28Å; I220-F222 VanDerWaalsContact CG2-O 3.32Å; I220-F222 WeakPolarHBondContact CG2-O 3.49Å; I220-F222 PolarHBondContact O-N 3.29Å; F222-L230 HydrophobicContact CB-CD1 3.95Å; F222-L230 WeakPolarHBondContact O-CD1 3.38Å; F222-R233 HydrophobicContact CD1-CB 4.48Å; F222-I234 HydrophobicContact CB-CD1 4.46Å; F222-I234 HydrophobicContact CB-CG1 3.61Å; F222-I234 HydrophobicContact CD1-CG1 4.36Å; F222-I234 HydrophobicContact CD2-CG1 3.99Å; F222-I234 HydrophobicContact CG-CG1 3.72Å; F222-Y239 AromaticContact CE1-CD1 3.87Å; F222-Y239 HydrophobicContact CE1-CD1 3.87Å; F222-Y239 HydrophobicContact CE1-CG 4.35Å; F222-Y239 AromaticContact CZ-CD1 3.61Å; F222-Y239 HydrophobicContact CZ-CD1 3.61Å; F222-Y239 HydrophobicContact CZ-CE1 4.36Å; F222-Y239 HydrophobicContact CZ-CG 4.23Å; F222-M257 HydrophobicContact CE2-SD 4.23Å
223D90.1Very high94.5Very high105 Ų10560.7 Ų60.756%0.56130%0.299SS*.  trans-136.1147.2175-176.327000111R233D223-R233 VanDerWaalsContact O-CD 3.26Å; D223-R233 WeakPolarHBondContact O-CD 3.5Å; D223-R233 PolarHBondContact O-NH1 2.72Å
224A91.4Very high94.3Very high27 Ų2760.1 Ų60.122%0.22330%0.297CS..  trans-161.5153.5174.500000112.5S226 R229 L230A224-S226 PolarHBondContact O-N 3.06Å; A224-R229 HydrophobicContact CB-CB 3.59Å; A224-L230 HydrophobicContact CB-CB 4.09Å
225C90.2Very high94.1Very high89 Ų8962.8 Ų62.860%0.60131%0.312SS*.SBendtrans-63.1-14178.959.40000115.7R229C225-R229 PolarHBondContact SG-NH1 3.2Å
226S92.5Very high93.7Very high51 Ų5165.6 Ų65.636%0.35734%0.335SS..SBendtrans-144.3149.9176.772.30000112.5A224 K228 R229 L230A224-S226 PolarHBondContact O-N 3.06Å; S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 3.02Å; S226-R229 PolarHBondContact O-N 2.88Å; S226-L230 PolarHBondContact O-N 3.09Å
227I91Very high93.3Very high74 Ų7466.6 Ų66.638%0.37935%0.346SS..Hα-helixtrans-56.5-43.9-178.4-61.7174.3000111.2Y185 R229 L230 V231 P429Y185-I227 HydrophobicContact CD1-CG2 3.86Å; Y185-I227 HydrophobicContact CD2-CD1 4.38Å; Y185-I227 HydrophobicContact CD2-CG2 4.34Å; Y185-I227 HydrophobicContact CE1-CG2 3.52Å; Y185-I227 HydrophobicContact CE2-CD1 4.07Å; Y185-I227 HydrophobicContact CE2-CG2 4.05Å; Y185-I227 HydrophobicContact CG-CG2 4.27Å; I227-R229 VanDerWaalsContact C-N 3.28Å; I227-R229 PolarHBondContact O-N 2.89Å; I227-L230 WeakPolarHBondContact O-CB 3.21Å; I227-L230 PolarHBondContact O-N 3.46Å; I227-L230 VanDerWaalsContact O-N 3.12Å; I227-V231 HydrophobicContact CG2-CG2 4.14Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 3.29Å; I227-P429 HydrophobicContact CD1-CB 4.16Å; I227-P429 HydrophobicContact CG1-CB 4.49Å
228K93.1Very high92.7Very high186 Ų18673.9 Ų73.981%0.80938%0.376SS*.Hα-helixtrans-58.2-37176.8-173.3173.8-177.3174.20112.9S226 K232S226-K228 VanDerWaalsContact C-N 3.32Å; S226-K228 PolarHBondContact O-N 3.02Å; K228-K232 PolarHBondContact O-N 3.22Å
229R94.1Very high92.5Very high162 Ų16274.9 Ų74.961%0.61137%0.372SS*.Hα-helixtrans-75.3-39.5175.4-72.8179.7175.6-167.6-2111.6A224 C225 S226 I227 K232 R233A224-R229 HydrophobicContact CB-CB 3.59Å; C225-R229 PolarHBondContact SG-NH1 3.2Å; S226-R229 PolarHBondContact O-N 2.88Å; I227-R229 VanDerWaalsContact C-N 3.28Å; I227-R229 PolarHBondContact O-N 2.89Å; R229-K232 PolarHBondContact O-N 2.75Å; R229-R233 WeakPolarHBondContact O-CG 3.26Å; R229-R233 PolarHBondContact O-N 2.91Å
230L94.2Very high92.4Very high6 Ų672 Ų723%0.03137%0.37CS..Hα-helixtrans-60.4-51.2176.8174.959.6000111P186 F222 A224 S226 I227 K232 R233 I234P186-L230 HydrophobicContact CB-CD2 4.33Å; P186-L230 HydrophobicContact CG-CD2 3.9Å; F222-L230 HydrophobicContact CB-CD1 3.95Å; F222-L230 WeakPolarHBondContact O-CD1 3.38Å; A224-L230 HydrophobicContact CB-CB 4.09Å; S226-L230 PolarHBondContact O-N 3.09Å; I227-L230 WeakPolarHBondContact O-CB 3.21Å; I227-L230 PolarHBondContact O-N 3.46Å; I227-L230 VanDerWaalsContact O-N 3.12Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.28Å; L230-R233 WeakPolarHBondContact O-CB 3.48Å; L230-R233 PolarHBondContact O-N 3.02Å; L230-I234 HydrophobicContact CD1-CD1 3.9Å; L230-I234 HydrophobicContact CD1-CG1 4.22Å; L230-I234 HydrophobicContact CG-CD1 3.89Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 2.84Å
231V93.7Very high92.4Very high30 Ų3072.2 Ų72.218%0.18237%0.371CS..Hα-helixtrans-55.1-46.9175172.70000110.5Y185 L193 I227 R233 I234 L235Y185-V231 HydrophobicContact CD1-CG2 4.13Å; Y185-V231 HydrophobicContact CE1-CG2 4.08Å; L193-V231 HydrophobicContact CB-CG1 4.27Å; L193-V231 HydrophobicContact CD1-CG1 4.3Å; L193-V231 HydrophobicContact CD1-CG2 4.24Å; L193-V231 HydrophobicContact CD2-CG2 4.31Å; I227-V231 HydrophobicContact CG2-CG2 4.14Å; I227-V231 WeakPolarHBondContact O-CG2 3.47Å; I227-V231 PolarHBondContact O-N 3.29Å; V231-R233 VanDerWaalsContact C-N 3.27Å; V231-R233 PolarHBondContact O-N 2.94Å; V231-I234 PolarHBondContact O-N 3.01Å; V231-L235 HydrophobicContact CG1-CD1 3.78Å; V231-L235 HydrophobicContact CG1-CG 4.07Å; V231-L235 WeakPolarHBondContact O-CB 3.15Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.35Å; V231-L235 PolarHBondContact O-N 3.46Å
232K94Very high92.3Very high164 Ų16473.8 Ų73.871%0.71338%0.382SS*.Hα-helixtrans-59.4-34.4176.3-172.9173.8-179.4177.10113.1K228 R229 L230 A236K228-K232 PolarHBondContact O-N 3.22Å; R229-K232 PolarHBondContact O-N 2.75Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.28Å; K232-A236 VanDerWaalsContact O-CB 3.31Å; K232-A236 WeakPolarHBondContact O-CB 3.46Å; K232-A236 PolarHBondContact O-N 3.36Å
233R93.6Very high92.2Very high111 Ų11179 Ų7942%0.41942%0.418SS..Hα-helixtrans-71.9-42.8175.4-69.8-170.572.8173.24112.5F222 D223 R229 L230 V231 A236 G237F222-R233 HydrophobicContact CD1-CB 4.48Å; D223-R233 VanDerWaalsContact O-CD 3.26Å; D223-R233 WeakPolarHBondContact O-CD 3.5Å; D223-R233 PolarHBondContact O-NH1 2.72Å; R229-R233 WeakPolarHBondContact O-CG 3.26Å; R229-R233 PolarHBondContact O-N 2.91Å; L230-R233 WeakPolarHBondContact O-CB 3.48Å; L230-R233 PolarHBondContact O-N 3.02Å; V231-R233 VanDerWaalsContact C-N 3.27Å; V231-R233 PolarHBondContact O-N 2.94Å; R233-A236 PolarHBondContact O-N 3.31Å; R233-G237 PolarHBondContact O-N 2.86Å
234I94Very high92.5Very high0 Ų079.8 Ų79.80%041%0.413CS..Hα-helixtrans-63.3-49.2177.8-65.2167.2000110.2Y185 P190 L193 W206 F222 L230 V231 A236 G237Y185-I234 VanDerWaalsContact O-CD1 3.25Å; Y185-I234 WeakPolarHBondContact O-CD1 3.35Å; P190-I234 HydrophobicContact CG-CG2 4.08Å; L193-I234 HydrophobicContact CD1-CB 3.8Å; L193-I234 HydrophobicContact CD1-CD1 3.73Å; L193-I234 HydrophobicContact CD1-CG1 4.38Å; L193-I234 HydrophobicContact CD1-CG2 3.54Å; W206-I234 HydrophobicContact CZ2-CG2 3.97Å; F222-I234 HydrophobicContact CB-CD1 4.46Å; F222-I234 HydrophobicContact CB-CG1 3.61Å; F222-I234 HydrophobicContact CD1-CG1 4.36Å; F222-I234 HydrophobicContact CD2-CG1 3.99Å; F222-I234 HydrophobicContact CG-CG1 3.72Å; L230-I234 HydrophobicContact CD1-CD1 3.9Å; L230-I234 HydrophobicContact CD1-CG1 4.22Å; L230-I234 HydrophobicContact CG-CD1 3.89Å; L230-I234 WeakPolarHBondContact O-CG1 3.25Å; L230-I234 PolarHBondContact O-N 2.84Å; V231-I234 PolarHBondContact O-N 3.01Å; I234-A236 PolarHBondContact O-N 3.28Å; I234-G237 PolarHBondContact O-N 2.73Å
235L93.5Very high92.7Very high68 Ų6878.7 Ų78.736%0.35640%0.404SS..Hα-helixtrans-62.1-29.1177.7-65.5-177.7000113.2P190 L193 L194 V231 G237P190-L235 HydrophobicContact CB-CD2 3.97Å; L193-L235 HydrophobicContact CB-CD2 4.18Å; L194-L235 HydrophobicContact CD1-CD2 4.33Å; L194-L235 HydrophobicContact CD2-CD1 3.96Å; L194-L235 HydrophobicContact CD2-CD2 3.68Å; L194-L235 HydrophobicContact CD2-CG 4.46Å; L194-L235 HydrophobicContact CG-CD2 3.63Å; V231-L235 HydrophobicContact CG1-CD1 3.78Å; V231-L235 HydrophobicContact CG1-CG 4.07Å; V231-L235 WeakPolarHBondContact O-CB 3.15Å; V231-L235 VanDerWaalsContact O-CG 3.29Å; V231-L235 WeakPolarHBondContact O-CG 3.35Å; V231-L235 PolarHBondContact O-N 3.46Å; L235-G237 VanDerWaalsContact C-N 3.3Å
236A91.5Very high93.1Very high59 Ų5975.9 Ų75.949%0.48839%0.385SS..THydrogen-bonded Turntrans-76.3-15.2174.400000113.5K232 R233 I234 K238K232-A236 VanDerWaalsContact O-CB 3.31Å; K232-A236 WeakPolarHBondContact O-CB 3.46Å; K232-A236 PolarHBondContact O-N 3.36Å; R233-A236 PolarHBondContact O-N 3.31Å; I234-A236 PolarHBondContact O-N 3.28Å; A236-K238 WeakPolarHBondContact O-CG 3.39Å; A236-K238 PolarHBondContact O-N 2.89Å; A236-K238 VanDerWaalsContact O-N 3.1Å
237G88.1Confident93.3Very high22 Ų2276.1 Ų76.123%0.22739%0.39CS..THydrogen-bonded Turntrans64.69.3-179.800000115.5R233 I234 L235 Y239R233-G237 PolarHBondContact O-N 2.86Å; I234-G237 PolarHBondContact O-N 2.73Å; L235-G237 VanDerWaalsContact C-N 3.3Å; G237-Y239 WeakPolarHBondContact O-CD1 3.2Å
238K86.4Confident93.6Very high167 Ų16776.8 Ų76.873%0.72639%0.391SS*.  trans-95.6109.9-173-67.6-173.2-177.5-171.50112.5A236A236-K238 WeakPolarHBondContact O-CG 3.39Å; A236-K238 PolarHBondContact O-N 2.89Å; A236-K238 VanDerWaalsContact O-N 3.1Å
239Y92.5Very high93.8Very high48 Ų4867.9 Ų67.919%0.18835%0.353CS..  trans-130.1159.8172.259.7-79.2000109.9Y213 P221 F222 G237 I241 L253 S254 M257Y213-Y239 HydrophobicContact CD2-CD2 4.18Å; Y213-Y239 HydrophobicContact CE2-CD2 4Å; P221-Y239 HydrophobicContact CB-CD2 4.35Å; P221-Y239 HydrophobicContact CB-CG 4.15Å; F222-Y239 AromaticContact CE1-CD1 3.87Å; F222-Y239 HydrophobicContact CE1-CD1 3.87Å; F222-Y239 HydrophobicContact CE1-CG 4.35Å; F222-Y239 AromaticContact CZ-CD1 3.61Å; F222-Y239 HydrophobicContact CZ-CD1 3.61Å; F222-Y239 HydrophobicContact CZ-CE1 4.36Å; F222-Y239 HydrophobicContact CZ-CG 4.23Å; G237-Y239 WeakPolarHBondContact O-CD1 3.2Å; Y239-I241 HydrophobicContact CD2-CG1 3.86Å; Y239-I241 HydrophobicContact CE2-CD1 3.68Å; Y239-I241 HydrophobicContact CE2-CG1 3.52Å; Y239-L253 PolarHBondContact OH-O 3.04Å; Y239-L253 VanDerWaalsContact OH-O 3.09Å; Y239-S254 WeakPolarHBondContact OH-CA 3.23Å; Y239-M257 HydrophobicContact CD2-CE 4.09Å; Y239-M257 HydrophobicContact CE1-CB 3.96Å; Y239-M257 HydrophobicContact CE1-CE 4.31Å; Y239-M257 HydrophobicContact CE1-SD 4.47Å; Y239-M257 HydrophobicContact CE2-CE 3.48Å; Y239-M257 VanDerWaalsContact CE2-CE 3.48Å; Y239-M257 HydrophobicContact CE2-SD 4.49Å
240S93.1Very high94Very high87 Ų8765 Ų6561%0.60834%0.342SS*.  trans-104.5118.4-177.555.70000110.4Y213Y213-S240 PolarHBondContact OH-O 3.33Å
241I92.7Very high94.2Very high54 Ų5468.6 Ų68.628%0.27736%0.361SS..  trans-93126.2175.8-42.2177.7000109.6Y239 S243 L245 R250 L253Y239-I241 HydrophobicContact CD2-CG1 3.86Å; Y239-I241 HydrophobicContact CE2-CD1 3.68Å; Y239-I241 HydrophobicContact CE2-CG1 3.52Å; I241-S243 PolarHBondContact O-N 3.21Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-R250 HydrophobicContact CB-CG 4.35Å; I241-R250 HydrophobicContact CG2-CG 3.69Å; I241-L253 HydrophobicContact CD1-CB 4.26Å; I241-L253 HydrophobicContact CG2-CD1 3.99Å
242P93.5Very high94.4Very high39 Ų3967.2 Ų67.225%0.25335%0.353SS..  trans-60.6136.2178.5-24.434.6000112.6T217 R244 L245T217-P242 HydrophobicContact CG2-CG 3.98Å; P242-R244 HydrophobicContact CB-CG 3.84Å; P242-R244 PolarHBondContact O-N 3.27Å; P242-R244 VanDerWaalsContact O-N 3.15Å; P242-L245 PolarHBondContact O-N 3.06Å
243S93.6Very high94.6Very high111 Ų11159.4 Ų59.478%0.77632%0.319SS*.THydrogen-bonded Turntrans-64.1-16.817852.10000114.4I241 L245I241-S243 PolarHBondContact O-N 3.21Å; S243-L245 PolarHBondContact O-N 3.27Å
244R95.3Very high94.7Very high120 Ų12056.4 Ų56.445%0.45332%0.315SS..THydrogen-bonded Turntrans-73.8-4.7174.666.2158.5178.778.9-3.9114.9V216 P242V216-R244 PolarHBondContact O-NH1 3.47Å; V216-R244 PolarHBondContact O-NH2 3.32Å; P242-R244 HydrophobicContact CB-CG 3.84Å; P242-R244 PolarHBondContact O-N 3.27Å; P242-R244 VanDerWaalsContact O-N 3.15Å
245L96.7Very high94.9Very high5 Ų559.2 Ų59.23%0.02633%0.33CS..SBendtrans-89148.6176.2-62.1-177.6000110.4E121 V216 I241 P242 S243 L249 R250 L253E121-L245 HydrophobicContact CG-CD2 4.37Å; E121-L245 VanDerWaalsContact OE1-CA 3.25Å; E121-L245 WeakPolarHBondContact OE1-CA 3.49Å; V216-L245 HydrophobicContact CB-CD2 4.23Å; V216-L245 HydrophobicContact CG2-CD1 3.82Å; V216-L245 HydrophobicContact CG2-CD2 4.28Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; P242-L245 PolarHBondContact O-N 3.06Å; S243-L245 PolarHBondContact O-N 3.27Å; L245-L249 HydrophobicContact CB-CD2 4.22Å; L245-L249 HydrophobicContact CD1-CD2 3.99Å; L245-L249 HydrophobicContact CD1-CG 4.34Å; L245-L249 HydrophobicContact CD2-CD2 3.82Å; L245-L249 HydrophobicContact CG-CD2 4.23Å; L245-R250 HydrophobicContact CB-CG 4.18Å; L245-R250 PolarHBondContact O-NE 2.92Å; L245-R250 PolarHBondContact O-NH2 3.38Å; L245-L253 HydrophobicContact CD1-CD1 4.17Å
246S97.2Very high95.1Very high30 Ų3056 Ų5621%0.2131%0.313CS..  trans-52.1159.4174.462.50000112.4E121 E248 L249 R250E121-S246 PolarHBondContact OE1-N 3.25Å; E121-S246 WeakPolarHBondContact OE2-CB 3.4Å; E121-S246 PolarHBondContact OE2-OG 2.87Å; S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; S246-L249 WeakPolarHBondContact OG-CB 3.33Å; S246-L249 PolarHBondContact OG-N 3.09Å; S246-L249 VanDerWaalsContact OG-N 3.08Å; S246-R250 WeakPolarHBondContact O-CG 3.43Å; S246-R250 PolarHBondContact O-N 3.42Å; S246-R250 PolarHBondContact O-NE 2.94Å
247A97.4Very high95.4Very high55 Ų5553.4 Ų53.446%0.45529%0.291SS..Hα-helixtrans-66.5-38.6177.300000110.2R250 D251A247-R250 WeakPolarHBondContact O-CB 3.34Å; A247-R250 PolarHBondContact O-N 2.83Å; A247-D251 PolarHBondContact O-N 3.15Å
248E97.5Very high95.7Very high88 Ų8854 Ų5441%0.41129%0.29SS..Hα-helixtrans-67.5-40.6-178.2-57.273-166.500111.3S246 L252 H273 W275S246-E248 VanDerWaalsContact C-N 3.26Å; S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; E248-L252 WeakPolarHBondContact O-CB 3.48Å; E248-L252 PolarHBondContact O-N 3.17Å; E248-H273 PolarHBondContact O-CE1 3.21Å; E248-W275 HydrophobicContact CB-CB 3.86Å; E248-W275 HydrophobicContact CB-CG 4.47Å
249L98.1Very high96Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-69.7-36.2172.9-178.352.7000112.3E121 L212 V216 L245 S246 D251 L253 W275E121-L249 HydrophobicContact CG-CD2 3.72Å; E121-L249 WeakPolarHBondContact OE2-CD2 3.49Å; L212-L249 HydrophobicContact CD1-CD1 4.37Å; L212-L249 HydrophobicContact CD2-CD1 3.73Å; L212-L249 HydrophobicContact CG-CD1 4.08Å; V216-L249 HydrophobicContact CB-CD2 4.22Å; V216-L249 HydrophobicContact CG1-CD2 3.94Å; V216-L249 HydrophobicContact CG2-CD2 4.13Å; L245-L249 HydrophobicContact CB-CD2 4.22Å; L245-L249 HydrophobicContact CD1-CD2 3.99Å; L245-L249 HydrophobicContact CD1-CG 4.34Å; L245-L249 HydrophobicContact CD2-CD2 3.82Å; L245-L249 HydrophobicContact CG-CD2 4.23Å; S246-L249 WeakPolarHBondContact OG-CB 3.33Å; S246-L249 PolarHBondContact OG-N 3.09Å; S246-L249 VanDerWaalsContact OG-N 3.08Å; L249-D251 VanDerWaalsContact C-N 3.34Å; L249-L253 HydrophobicContact CD1-CD1 4.14Å; L249-L253 HydrophobicContact CD1-CG 4.03Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 HydrophobicContact CG-CG 4.42Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.27Å; L249-W275 HydrophobicContact CB-CD2 4.48Å; L249-W275 HydrophobicContact CB-CG 4.23Å; L249-W275 HydrophobicContact CD1-CD2 4.07Å; L249-W275 HydrophobicContact CD1-CE3 4.43Å; L249-W275 HydrophobicContact CD1-CH2 4.28Å; L249-W275 HydrophobicContact CD1-CZ2 3.93Å; L249-W275 HydrophobicContact CD2-CZ2 4.14Å
250R97.8Very high96.1Very high102 Ų10249.6 Ų49.639%0.38528%0.284SS..Hα-helixtrans-64-41.7175.5-76.1-178.8-76.3161.1-3111.2I241 L245 S246 A247 S254I241-R250 HydrophobicContact CB-CG 4.35Å; I241-R250 HydrophobicContact CG2-CG 3.69Å; L245-R250 HydrophobicContact CB-CG 4.18Å; L245-R250 PolarHBondContact O-NE 2.92Å; L245-R250 PolarHBondContact O-NH2 3.38Å; S246-R250 WeakPolarHBondContact O-CG 3.43Å; S246-R250 PolarHBondContact O-N 3.42Å; S246-R250 PolarHBondContact O-NE 2.94Å; A247-R250 WeakPolarHBondContact O-CB 3.34Å; A247-R250 PolarHBondContact O-N 2.83Å; R250-S254 PolarHBondContact O-N 3.11Å
251D97.6Very high96.1Very high81 Ų8147.1 Ų47.143%0.43327%0.266SS..Hα-helixtrans-61.8-53.6173.8-17052.8000111.5A247 L249 L253 S254 L255 H273A247-D251 PolarHBondContact O-N 3.15Å; L249-D251 VanDerWaalsContact C-N 3.34Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 3.31Å; D251-S254 WeakPolarHBondContact O-CA 3.33Å; D251-S254 WeakPolarHBondContact O-CB 3.08Å; D251-S254 PolarHBondContact O-N 3.11Å; D251-S254 PolarHBondContact O-OG 3.41Å; D251-L255 PolarHBondContact O-N 3Å; D251-H273 IonicContact OD2-NE2 2.91Å; D251-H273 PolarHBondContact OD2-NE2 3.34Å
252L98.3Very high96.2Very high1 Ų153.5 Ų53.51%0.00529%0.291CS..Hα-helixtrans-53.8-46.2177.8178.356.7000112.9F128 L212 E248 S254 L255 L256 V270 H273 W275 V276F128-L252 HydrophobicContact CE1-CD2 4.38Å; L212-L252 HydrophobicContact CD2-CD2 3.69Å; L212-L252 HydrophobicContact CD2-CG 4.09Å; E248-L252 WeakPolarHBondContact O-CB 3.48Å; E248-L252 PolarHBondContact O-N 3.17Å; L252-S254 VanDerWaalsContact C-N 3.27Å; L252-S254 PolarHBondContact O-N 3.38Å; L252-L255 PolarHBondContact O-N 2.92Å; L252-L256 HydrophobicContact CD1-CD1 3.82Å; L252-L256 HydrophobicContact CD1-CG 3.93Å; L252-L256 HydrophobicContact CG-CD1 3.9Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 WeakPolarHBondContact O-CB 3.13Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.77Å; L252-V270 HydrophobicContact CD1-CG1 3.9Å; L252-H273 HydrophobicContact CD1-CB 4.35Å; L252-W275 HydrophobicContact CD2-CB 4.3Å; L252-W275 HydrophobicContact CD2-CD2 4.07Å; L252-W275 HydrophobicContact CD2-CE3 3.41Å; L252-W275 VanDerWaalsContact CD2-CE3 3.41Å; L252-W275 HydrophobicContact CD2-CG 4.46Å; L252-W275 HydrophobicContact CD2-CZ3 4.07Å; L252-V276 HydrophobicContact CD2-CG2 3.89Å
253L98.1Very high96.4Very high0 Ų057.6 Ų57.60%031%0.31CS..Hα-helixtrans-61.8-36.5177.3-73.1170.1000111.8L212 Y213 Y239 I241 L245 L249 D251 M257L212-L253 HydrophobicContact CB-CD2 4.15Å; L212-L253 HydrophobicContact CD2-CD2 4.02Å; L212-L253 HydrophobicContact CG-CD2 3.97Å; Y213-L253 HydrophobicContact CD2-CD1 4.39Å; Y239-L253 PolarHBondContact OH-O 3.04Å; Y239-L253 VanDerWaalsContact OH-O 3.09Å; I241-L253 HydrophobicContact CD1-CB 4.26Å; I241-L253 HydrophobicContact CG2-CD1 3.99Å; L245-L253 HydrophobicContact CD1-CD1 4.17Å; L249-L253 HydrophobicContact CD1-CD1 4.14Å; L249-L253 HydrophobicContact CD1-CG 4.03Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 HydrophobicContact CG-CG 4.42Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 WeakPolarHBondContact O-CG 3.41Å; L249-L253 PolarHBondContact O-N 3.27Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 3.31Å; L253-M257 HydrophobicContact CB-CE 4.05Å; L253-M257 HydrophobicContact CD2-CE 3.83Å; L253-M257 WeakPolarHBondContact O-CB 3.35Å; L253-M257 PolarHBondContact O-N 3.1Å
254S96.6Very high96.6Very high47 Ų4752.4 Ų52.433%0.32927%0.274SS..Hα-helixtrans-68-42.1177.187.50000112.5Y239 R250 D251 L252 M257 T258Y239-S254 WeakPolarHBondContact OH-CA 3.23Å; R250-S254 PolarHBondContact O-N 3.11Å; D251-S254 WeakPolarHBondContact O-CA 3.33Å; D251-S254 WeakPolarHBondContact O-CB 3.08Å; D251-S254 PolarHBondContact O-N 3.11Å; D251-S254 PolarHBondContact O-OG 3.41Å; L252-S254 VanDerWaalsContact C-N 3.27Å; L252-S254 PolarHBondContact O-N 3.38Å; S254-M257 CarbonylContact O-C 3.54Å; S254-T258 PolarHBondContact O-N 2.89Å; S254-T258 VanDerWaalsContact O-N 3.11Å; S254-T258 PolarHBondContact O-OG1 2.91Å
255L97.5Very high96.7Very high60 Ų6047.6 Ų47.631%0.31426%0.258SS..Hα-helixtrans-64.1-49.9176.3-66.1171.5000111.2D251 L252 T258 P265D251-L255 PolarHBondContact O-N 3Å; L252-L255 PolarHBondContact O-N 2.92Å; L255-T258 WeakPolarHBondContact O-CB 3.5Å; L255-T258 PolarHBondContact O-N 3.03Å; L255-T258 PolarHBondContact O-OG1 3.02Å; L255-P265 HydrophobicContact CB-CG 4.29Å; L255-P265 WeakPolarHBondContact O-CD 3.32Å
256L98.1Very high96.7Very high0 Ų050.1 Ų50.10%027%0.274CS..Hα-helixtrans-62.2-46.6-179.8-68173.3000112.2F128 V205 W206 L212 L252 T258 R264 V270F128-L256 HydrophobicContact CE1-CD1 4.32Å; F128-L256 HydrophobicContact CZ-CD1 3.84Å; V205-L256 HydrophobicContact CG1-CD2 3.55Å; W206-L256 WeakPolarHBondContact CA-O 3.46Å; L212-L256 HydrophobicContact CD2-CD1 4.1Å; L252-L256 HydrophobicContact CD1-CD1 3.82Å; L252-L256 HydrophobicContact CD1-CG 3.93Å; L252-L256 HydrophobicContact CG-CD1 3.9Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 WeakPolarHBondContact O-CB 3.13Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.77Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 2.81Å; L256-R264 VanDerWaalsContact O-CD 3.26Å; L256-R264 WeakPolarHBondContact O-CD 3.48Å; L256-R264 WeakPolarHBondContact O-CG 3.37Å; L256-V270 HydrophobicContact CD2-CG1 4.15Å; L256-V270 HydrophobicContact CD2-CG2 3.59Å
257M97Very high96.7Very high5 Ų548.8 Ų48.83%0.02526%0.264CS..THydrogen-bonded Turntrans-93.430.5179.8-65.4-179.2-76.600113W206 V210 Y213 P221 F222 Y239 L253 S254 A259W206-M257 HydrophobicContact CE3-CB 4.21Å; W206-M257 HydrophobicContact CH2-CB 4.43Å; W206-M257 VanDerWaalsContact CZ3-C 3.49Å; W206-M257 HydrophobicContact CZ3-CB 4.11Å; W206-M257 WeakPolarHBondContact CZ3-O 3.39Å; V210-M257 HydrophobicContact CG2-CG 4.43Å; V210-M257 HydrophobicContact CG2-SD 4.01Å; Y213-M257 HydrophobicContact CD2-CE 4.26Å; Y213-M257 HydrophobicContact CG-CE 4.49Å; P221-M257 HydrophobicContact CB-SD 4.36Å; P221-M257 HydrophobicContact CG-SD 3.95Å; F222-M257 HydrophobicContact CE2-SD 4.23Å; Y239-M257 HydrophobicContact CD2-CE 4.09Å; Y239-M257 HydrophobicContact CE1-CB 3.96Å; Y239-M257 HydrophobicContact CE1-CE 4.31Å; Y239-M257 HydrophobicContact CE1-SD 4.47Å; Y239-M257 HydrophobicContact CE2-CE 3.48Å; Y239-M257 VanDerWaalsContact CE2-CE 3.48Å; Y239-M257 HydrophobicContact CE2-SD 4.49Å; L253-M257 HydrophobicContact CB-CE 4.05Å; L253-M257 HydrophobicContact CD2-CE 3.83Å; L253-M257 WeakPolarHBondContact O-CB 3.35Å; L253-M257 PolarHBondContact O-N 3.1Å; S254-M257 CarbonylContact O-C 3.54Å; M257-A259 PolarHBondContact O-N 3.1Å
258T95.2Very high96.7Very high35 Ų3548.5 Ų48.522%0.21526%0.262CS..  trans-68.1125.8170-75.70000110.2S254 L255 L256 N260 L263 R264S254-T258 PolarHBondContact O-N 2.89Å; S254-T258 VanDerWaalsContact O-N 3.11Å; S254-T258 PolarHBondContact O-OG1 2.91Å; L255-T258 WeakPolarHBondContact O-CB 3.5Å; L255-T258 PolarHBondContact O-N 3.03Å; L255-T258 PolarHBondContact O-OG1 3.02Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 2.81Å; T258-N260 PolarHBondContact O-N 3.12Å; T258-L263 HydrophobicContact CG2-CB 3.83Å; T258-R264 PolarHBondContact O-NE 2.94Å; T258-R264 PolarHBondContact O-NH2 2.94Å
259A92.6Very high96.7Very high47 Ų4749.7 Ų49.739%0.38827%0.268SS..SBendtrans-68.2-30.8-173.800000113.8M257 P261M257-A259 PolarHBondContact O-N 3.1Å; A259-P261 WeakPolarHBondContact O-CD 3.44Å
260N93.6Very high96.7Very high74 Ų7449.9 Ų49.940%0.39627%0.269SS..SBendtrans-84.2111173.9-179.3-4.9000110.1T258 K262 L263 R264T258-N260 PolarHBondContact O-N 3.12Å; N260-K262 PolarHBondContact O-N 3.44Å; N260-K262 VanDerWaalsContact O-N 3.08Å; N260-K262 WeakPolarHBondContact OD1-CB 3.45Å; N260-K262 PolarHBondContact OD1-N 2.93Å; N260-L263 HydrophobicContact CB-CB 4.47Å; N260-L263 HydrophobicContact CB-CD1 4.19Å; N260-L263 HydrophobicContact CB-CG 4.29Å; N260-L263 PolarHBondContact O-N 3.42Å; N260-R264 PolarHBondContact O-N 3.06Å
261P94.9Very high96.7Very high35 Ų3546.3 Ų46.323%0.22726%0.257CS..THydrogen-bonded Turntrans-65.2-15-176.726.8-35.5000114.2E191 K202 A259E191-P261 HydrophobicContact CB-CG 4.49Å; E191-P261 HydrophobicContact CG-CG 4.34Å; K202-P261 HydrophobicContact CB-CB 4.2Å; A259-P261 WeakPolarHBondContact O-CD 3.44Å
262K94.9Very high96.6Very high188 Ų18847.6 Ų47.682%0.81727%0.268SS*.THydrogen-bonded Turntrans-72.7-29172.9-63-175.3178.1-177.50113.1N260N260-K262 PolarHBondContact O-N 3.44Å; N260-K262 VanDerWaalsContact O-N 3.08Å; N260-K262 WeakPolarHBondContact OD1-CB 3.45Å; N260-K262 PolarHBondContact OD1-N 2.93Å
263L96.2Very high96.5Very high125 Ų12548.3 Ų48.365%0.65427%0.271SS*.THydrogen-bonded Turntrans-95.3-17.9-178.7-61.6178.6000112.6T258 N260T258-L263 HydrophobicContact CG2-CB 3.83Å; N260-L263 HydrophobicContact CB-CB 4.47Å; N260-L263 HydrophobicContact CB-CD1 4.19Å; N260-L263 HydrophobicContact CB-CG 4.29Å; N260-L263 PolarHBondContact O-N 3.42Å
264R97.2Very high96.4Very high2 Ų252.1 Ų52.11%0.00830%0.296CS..SBendtrans-65.3136174-163.4-178.6-55.8142.37.4109.4E191 K202 V205 L256 T258 N260E191-R264 IonicContact OE1-CZ 2.61Å; E191-R264 IonicContact OE1-NH1 3.82Å; E191-R264 PolarHBondContact OE1-NH1 3.17Å; E191-R264 IonicContact OE1-NH2 2.63Å; E191-R264 PolarHBondContact OE1-NH2 3.32Å; E191-R264 IonicContact OE2-CZ 3.08Å; E191-R264 IonicContact OE2-NH1 2.84Å; E191-R264 IonicContact OE2-NH2 3.68Å; E191-R264 PolarHBondContact OE2-NH2 3.02Å; E191-R264 VanDerWaalsContact OE2-NH2 3.08Å; K202-R264 PolarHBondContact NZ-O 3.19Å; K202-R264 WeakPolarHBondContact O-CD 3.44Å; K202-R264 PolarHBondContact O-NH1 3.48Å; V205-R264 HydrophobicContact CB-CG 4.33Å; V205-R264 HydrophobicContact CG1-CG 3.78Å; L256-R264 VanDerWaalsContact O-CD 3.26Å; L256-R264 WeakPolarHBondContact O-CD 3.48Å; L256-R264 WeakPolarHBondContact O-CG 3.37Å; T258-R264 PolarHBondContact O-NE 2.94Å; T258-R264 PolarHBondContact O-NH2 2.94Å; N260-R264 PolarHBondContact O-N 3.06Å
265P97.9Very high96.5Very high20 Ų2049.9 Ų49.913%0.1328%0.28CS..PPolyproline II helixtrans-68.1173.9-17928.5-36.3000113K202 V205 L255 E269 V270K202-P265 VanDerWaalsContact NZ-C 3.32Å; K202-P265 PolarHBondContact NZ-O 2.91Å; V205-P265 HydrophobicContact CG1-CG 4.34Å; L255-P265 HydrophobicContact CB-CG 4.29Å; L255-P265 WeakPolarHBondContact O-CD 3.32Å; P265-E269 HydrophobicContact CB-CB 4.01Å; P265-V270 HydrophobicContact CB-CG2 3.98Å; P265-V270 HydrophobicContact CG-CG2 3.54Å
266T97.8Very high96.4Very high57 Ų5747 Ų4735%0.3527%0.265SS..PPolyproline II helixtrans-87165.3162.2620000110.2A268 E269 V270T266-A268 VanDerWaalsContact C-N 3.29Å; T266-A268 PolarHBondContact O-N 3.13Å; T266-E269 VanDerWaalsContact CB-OE2 3.29Å; T266-E269 WeakPolarHBondContact CB-OE2 3.18Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.26Å; T266-E269 PolarHBondContact N-OE2 3.33Å; T266-E269 PolarHBondContact O-N 3.16Å; T266-E269 VanDerWaalsContact OG1-CD 3.26Å; T266-E269 WeakPolarHBondContact OG1-CG 3.31Å; T266-E269 PolarHBondContact OG1-N 3.48Å; T266-E269 PolarHBondContact OG1-OE2 3.08Å; T266-V270 WeakPolarHBondContact O-CG2 3.22Å; T266-V270 PolarHBondContact O-N 2.95Å; T266-V270 VanDerWaalsContact O-N 3.1Å
267V97.6Very high96.2Very high2 Ų250.6 Ų50.61%0.01229%0.287CS..Hα-helixtrans-63.6-37177.3-173.80000111.3L132 M135 N136 H139 V205 L208 E269 V270 M271L132-V267 HydrophobicContact CB-CG1 4.27Å; L132-V267 HydrophobicContact CD2-CG1 3.81Å; L132-V267 WeakPolarHBondContact O-CG1 3.36Å; M135-V267 HydrophobicContact CB-CG1 4.33Å; M135-V267 HydrophobicContact CB-CG2 4.27Å; N136-V267 HydrophobicContact CB-CB 4.26Å; N136-V267 HydrophobicContact CB-CG1 3.78Å; H139-V267 VanDerWaalsContact ND1-CG2 3.35Å; H139-V267 WeakPolarHBondContact ND1-CG2 3.37Å; V205-V267 HydrophobicContact CG2-CG2 3.82Å; L208-V267 HydrophobicContact CD1-CG2 4.22Å; V267-E269 PolarHBondContact O-N 3.22Å; V267-V270 WeakPolarHBondContact O-CB 3.46Å; V267-V270 PolarHBondContact O-N 3Å; V267-V270 VanDerWaalsContact O-N 3.16Å; V267-M271 HydrophobicContact CG1-SD 4.47Å; V267-M271 WeakPolarHBondContact O-CG 3.39Å; V267-M271 PolarHBondContact O-N 2.87Å
268A96.9Very high95.8Very high50 Ų5054.8 Ų54.841%0.41331%0.306SS..Hα-helixtrans-60.5-43.9175.600000112.8T266 V270 M271T266-A268 VanDerWaalsContact C-N 3.29Å; T266-A268 PolarHBondContact O-N 3.13Å; A268-V270 VanDerWaalsContact C-N 3.31Å; A268-V270 PolarHBondContact O-N 2.88Å; A268-M271 PolarHBondContact O-N 3.01Å
269E97.7Very high94.9Very high113 Ų11355.7 Ų55.753%0.52832%0.323SS..Hα-helixtrans-65.6-33.2174.7-69.9159.3139.800112P265 T266 V267 V272P265-E269 HydrophobicContact CB-CB 4.01Å; T266-E269 VanDerWaalsContact CB-OE2 3.29Å; T266-E269 WeakPolarHBondContact CB-OE2 3.18Å; T266-E269 WeakPolarHBondContact CG2-OE2 3.26Å; T266-E269 PolarHBondContact N-OE2 3.33Å; T266-E269 PolarHBondContact O-N 3.16Å; T266-E269 VanDerWaalsContact OG1-CD 3.26Å; T266-E269 WeakPolarHBondContact OG1-CG 3.31Å; T266-E269 PolarHBondContact OG1-N 3.48Å; T266-E269 PolarHBondContact OG1-OE2 3.08Å; V267-E269 PolarHBondContact O-N 3.22Å; E269-V272 VanDerWaalsContact O-CG2 3.25Å; E269-V272 WeakPolarHBondContact O-CG2 3.46Å
270V97.9Very high93.4Very high4 Ų459.5 Ų59.52%0.02435%0.347CS..Hα-helixtrans-69.7-33.7174.4173.10000112.1F128 L132 L252 L256 P265 T266 V267 A268 V272 H273F128-V270 HydrophobicContact CE1-CG1 4.4Å; L132-V270 HydrophobicContact CD1-CG1 3.89Å; L132-V270 HydrophobicContact CD2-CB 4.25Å; L132-V270 HydrophobicContact CD2-CG1 3.57Å; L132-V270 HydrophobicContact CG-CG1 4.41Å; L252-V270 HydrophobicContact CD1-CG1 3.9Å; L256-V270 HydrophobicContact CD2-CG1 4.15Å; L256-V270 HydrophobicContact CD2-CG2 3.59Å; P265-V270 HydrophobicContact CB-CG2 3.98Å; P265-V270 HydrophobicContact CG-CG2 3.54Å; T266-V270 WeakPolarHBondContact O-CG2 3.22Å; T266-V270 PolarHBondContact O-N 2.95Å; T266-V270 VanDerWaalsContact O-N 3.1Å; V267-V270 WeakPolarHBondContact O-CB 3.46Å; V267-V270 PolarHBondContact O-N 3Å; V267-V270 VanDerWaalsContact O-N 3.16Å; A268-V270 VanDerWaalsContact C-N 3.31Å; A268-V270 PolarHBondContact O-N 2.88Å; V270-V272 PolarHBondContact O-N 2.92Å; V270-H273 WeakPolarHBondContact O-CB 3.32Å; V270-H273 PolarHBondContact O-N 3.38Å; V270-H273 VanDerWaalsContact O-N 3.12Å
271M96.3Very high91.9Very high27 Ų2758.2 Ų58.213%0.13335%0.351CS..Hα-helixtrans-64.6-23.9-179.2-74.517374.200113.6L132 N136 V267 A268 F283L132-M271 HydrophobicContact CB-CG 3.87Å; L132-M271 HydrophobicContact CD1-CG 4.32Å; N136-M271 HydrophobicContact CB-SD 3.61Å; V267-M271 HydrophobicContact CG1-SD 4.47Å; V267-M271 WeakPolarHBondContact O-CG 3.39Å; V267-M271 PolarHBondContact O-N 2.87Å; A268-M271 PolarHBondContact O-N 3.01Å; M271-F283 HydrophobicContact CB-CE1 4.32Å; M271-F283 HydrophobicContact CB-CE2 4.12Å; M271-F283 HydrophobicContact CB-CZ 3.65Å; M271-F283 HydrophobicContact CE-CD1 3.65Å; M271-F283 HydrophobicContact CE-CD2 4.02Å; M271-F283 HydrophobicContact CE-CE1 3.66Å; M271-F283 HydrophobicContact CE-CE2 4.03Å; M271-F283 HydrophobicContact CE-CG 3.82Å; M271-F283 HydrophobicContact CE-CZ 3.85Å; M271-F283 HydrophobicContact CG-CE1 3.94Å; M271-F283 HydrophobicContact CG-CZ 3.79Å; M271-F283 WeakPolarHBondContact O-CZ 3.29Å
272V95.7Very high90.5Very high108 Ų10863 Ų6366%0.65538%0.379SS*.THydrogen-bonded Turntrans-96.85.6176.4-60.90000113.7E269 V270E269-V272 VanDerWaalsContact O-CG2 3.25Å; E269-V272 WeakPolarHBondContact O-CG2 3.46Å; V270-V272 PolarHBondContact O-N 2.92Å
273H97.5Very high89.4Confident15 Ų1556.4 Ų56.47%0.06935%0.351CS..SBendtrans-66.4138179-176.9-77.5000111.4E248 D251 L252 V270 W275 V276 T277E248-H273 PolarHBondContact O-CE1 3.21Å; D251-H273 IonicContact OD2-NE2 2.91Å; D251-H273 PolarHBondContact OD2-NE2 3.34Å; L252-H273 HydrophobicContact CD1-CB 4.35Å; V270-H273 WeakPolarHBondContact O-CB 3.32Å; V270-H273 PolarHBondContact O-N 3.38Å; V270-H273 VanDerWaalsContact O-N 3.12Å; H273-W275 PolarHBondContact ND1-N 3.21Å; H273-W275 VanDerWaalsContact ND1-N 3.19Å; H273-W275 PolarHBondContact O-N 2.77Å; H273-W275 VanDerWaalsContact O-N 3.16Å; H273-V276 HydrophobicContact CB-CG2 4.15Å; H273-V276 WeakPolarHBondContact O-CA 3.49Å; H273-V276 WeakPolarHBondContact O-CB 3.45Å; H273-V276 PolarHBondContact O-N 2.68Å; H273-T277 PolarHBondContact O-N 3Å; H273-T277 PolarHBondContact O-OG1 3.38Å
274P96.1Very high87.8Confident81 Ų8152 Ų5253%0.52633%0.33SS..Hα-helixtrans-45.7-51.2-176.4-33.336.8000114.8V276 T277 E278P274-V276 PolarHBondContact O-N 2.84Å; P274-T277 WeakPolarHBondContact CA-OG1 3.05Å; P274-T277 PolarHBondContact O-N 3.49Å; P274-T277 PolarHBondContact O-OG1 2.93Å; P274-E278 WeakPolarHBondContact O-CB 3.14Å; P274-E278 PolarHBondContact O-N 3.49Å
275W97.3Very high86.1Confident0 Ų056 Ų560%035%0.351CS..Hα-helixtrans-58.8-27.9177-17183.5000114.8E121 A124 R125 F128 L212 E248 L249 L252 H273E121-W275 HydrophobicContact CB-CZ2 4.13Å; E121-W275 WeakPolarHBondContact O-CZ2 3.3Å; E121-W275 PolarHBondContact OE2-NE1 3.49Å; A124-W275 HydrophobicContact CB-CH2 4.38Å; R125-W275 VanDerWaalsContact CA-CH2 3.47Å; R125-W275 HydrophobicContact CB-CH2 3.61Å; R125-W275 HydrophobicContact CB-CZ2 3.91Å; R125-W275 HydrophobicContact CB-CZ3 3.99Å; R125-W275 WeakPolarHBondContact CD-O 3.28Å; R125-W275 HydrophobicContact CG-CE3 4.39Å; R125-W275 HydrophobicContact CG-CH2 4.26Å; R125-W275 HydrophobicContact CG-CZ3 4.15Å; R125-W275 PolarHBondContact NE-O 3.26Å; R125-W275 VanDerWaalsContact NH2-NE1 3.1Å; F128-W275 HydrophobicContact CB-CZ3 4.47Å; F128-W275 HydrophobicContact CD1-CZ3 4.1Å; L212-W275 HydrophobicContact CD1-CH2 3.71Å; L212-W275 HydrophobicContact CD1-CZ3 4Å; L212-W275 HydrophobicContact CD2-CZ3 4.26Å; E248-W275 HydrophobicContact CB-CB 3.86Å; E248-W275 HydrophobicContact CB-CG 4.47Å; L249-W275 HydrophobicContact CB-CD2 4.48Å; L249-W275 HydrophobicContact CB-CG 4.23Å; L249-W275 HydrophobicContact CD1-CD2 4.07Å; L249-W275 HydrophobicContact CD1-CE3 4.43Å; L249-W275 HydrophobicContact CD1-CH2 4.28Å; L249-W275 HydrophobicContact CD1-CZ2 3.93Å; L249-W275 HydrophobicContact CD2-CZ2 4.14Å; L252-W275 HydrophobicContact CD2-CB 4.3Å; L252-W275 HydrophobicContact CD2-CD2 4.07Å; L252-W275 HydrophobicContact CD2-CE3 3.41Å; L252-W275 VanDerWaalsContact CD2-CE3 3.41Å; L252-W275 HydrophobicContact CD2-CG 4.46Å; L252-W275 HydrophobicContact CD2-CZ3 4.07Å; H273-W275 PolarHBondContact ND1-N 3.21Å; H273-W275 VanDerWaalsContact ND1-N 3.19Å; H273-W275 PolarHBondContact O-N 2.77Å; H273-W275 VanDerWaalsContact O-N 3.16Å
276V96.1Very high84.2Confident0 Ų057.5 Ų57.50%036%0.361CS..Hα-helixtrans-85.4-36.1179.9-176.70000110.6K129 L132 L252 H273 P274 E278 F283K129-V276 HydrophobicContact CD-CG1 4.42Å; K129-V276 WeakPolarHBondContact CD-O 3.4Å; K129-V276 WeakPolarHBondContact CE-O 3.13Å; K129-V276 HydrophobicContact CG-CG1 3.74Å; K129-V276 PolarHBondContact NZ-O 2.98Å; L132-V276 HydrophobicContact CD1-CG1 3.64Å; L132-V276 HydrophobicContact CD1-CG2 4.03Å; L252-V276 HydrophobicContact CD2-CG2 3.89Å; H273-V276 HydrophobicContact CB-CG2 4.15Å; H273-V276 WeakPolarHBondContact O-CA 3.49Å; H273-V276 WeakPolarHBondContact O-CB 3.45Å; H273-V276 PolarHBondContact O-N 2.68Å; P274-V276 PolarHBondContact O-N 2.84Å; V276-E278 VanDerWaalsContact C-N 3.31Å; V276-F283 HydrophobicContact CG1-CE1 4.16Å; V276-F283 HydrophobicContact CG1-CZ 3.63Å
277T93.5Very high82.1Confident75 Ų7558.6 Ų58.646%0.4637%0.37SS..Hα-helixtrans-78.1-13.1175.9520000113.7H273 P274 G279H273-T277 PolarHBondContact O-N 3Å; H273-T277 PolarHBondContact O-OG1 3.38Å; P274-T277 WeakPolarHBondContact CA-OG1 3.05Å; P274-T277 PolarHBondContact O-N 3.49Å; P274-T277 PolarHBondContact O-OG1 2.93Å; T277-G279 PolarHBondContact O-N 3.37Å
278E89.5Confident79.9Confident92 Ų9266.3 Ų66.343%0.4341%0.406SS..  trans-64118.2178.8-166.3-162.8127.900112.1R125 P274 V276R125-E278 WeakPolarHBondContact CD-O 3.49Å; R125-E278 IonicContact CZ-OE1 3.62Å; R125-E278 VanDerWaalsContact CZ-OE1 3.31Å; R125-E278 IonicContact CZ-OE2 3.9Å; R125-E278 VanDerWaalsContact NH1-CD 3.26Å; R125-E278 IonicContact NH1-OE1 3.63Å; R125-E278 PolarHBondContact NH1-OE1 2.97Å; R125-E278 IonicContact NH1-OE2 2.73Å; R125-E278 IonicContact NH2-OE1 3.55Å; R125-E278 PolarHBondContact NH2-OE1 3.4Å; R125-E278 VanDerWaalsContact NH2-OE1 3.08Å; R125-E278 IonicContact NH2-OE2 2.72Å; R125-E278 PolarHBondContact NH2-OE2 2.83Å; P274-E278 WeakPolarHBondContact O-CB 3.14Å; P274-E278 PolarHBondContact O-N 3.49Å; V276-E278 VanDerWaalsContact C-N 3.31Å
279G76.7Confident77.9Confident54 Ų5467.7 Ų67.756%0.55740%0.404SS*.SBendtrans89.8142.8-17800000113.6T277 G281T277-G279 PolarHBondContact O-N 3.37Å; G279-G281 PolarHBondContact O-N 3.44Å
280S59.7Low76.1Confident127 Ų12766.4 Ų66.489%0.88840%0.398SS*.SBendtrans-67.311.7-169.848.80000116.7V282S280-V282 PolarHBondContact O-N 3.2Å; S280-V282 VanDerWaalsContact O-N 3.13Å
281G62.2Low74.2Confident48 Ų4868.1 Ų68.150%0.49541%0.408SS..  trans-68.4107.7171.700000110.6K129 G279K129-G281 WeakPolarHBondContact CE-O 3.4Å; K129-G281 PolarHBondContact NZ-O 3.04Å; G279-G281 PolarHBondContact O-N 3.44Å
282V65.5Low72.5Confident134 Ų13469.2 Ų69.281%0.81242%0.417SS*.PPolyproline II helixtrans-61.3150.6169.2-168.20000108.8S280S280-V282 PolarHBondContact O-N 3.2Å; S280-V282 VanDerWaalsContact O-N 3.13Å
283F72.6Confident71.1Confident51 Ų5172.5 Ų72.522%0.22443%0.43CS..PPolyproline II helixtrans-61.5146.5167.4-76.4-82.1000109.5K129 L132 M271 V276 D285K129-F283 HydrophobicContact CB-CD1 4.07Å; K129-F283 HydrophobicContact CB-CE1 3.91Å; K129-F283 HydrophobicContact CG-CE1 3.98Å; K129-F283 HydrophobicContact CG-CZ 4.42Å; K129-F283 WeakPolarHBondContact O-CD1 3.36Å; L132-F283 HydrophobicContact CB-CE1 4.33Å; M271-F283 HydrophobicContact CB-CE1 4.32Å; M271-F283 HydrophobicContact CB-CE2 4.12Å; M271-F283 HydrophobicContact CB-CZ 3.65Å; M271-F283 HydrophobicContact CE-CD1 3.65Å; M271-F283 HydrophobicContact CE-CD2 4.02Å; M271-F283 HydrophobicContact CE-CE1 3.66Å; M271-F283 HydrophobicContact CE-CE2 4.03Å; M271-F283 HydrophobicContact CE-CG 3.82Å; M271-F283 HydrophobicContact CE-CZ 3.85Å; M271-F283 HydrophobicContact CG-CE1 3.94Å; M271-F283 HydrophobicContact CG-CZ 3.79Å; M271-F283 WeakPolarHBondContact O-CZ 3.29Å; V276-F283 HydrophobicContact CG1-CE1 4.16Å; V276-F283 HydrophobicContact CG1-CZ 3.63Å; F283-D285 PolarHBondContact O-N 3.36Å; F283-D285 VanDerWaalsContact O-N 3.15Å
284P62.8Low70.2Confident33 Ų3380.2 Ų80.221%0.21446%0.464CS..PPolyproline II helixtrans-56.4124.1175.2-18.528.7000109.3Q130 P286Q130-P284 HydrophobicContact CB-CG 4.47Å; Q130-P284 HydrophobicContact CG-CG 3.76Å; P284-P286 VanDerWaalsContact O-CD 3.3Å; P284-P286 WeakPolarHBondContact O-CD 3.34Å
285D59.7Low69.7Low86 Ų8677.4 Ų77.446%0.4645%0.445SS..PPolyproline II helixtrans-64.8121176.5-174.2-17.7000108.2F283 C287 E288F283-D285 PolarHBondContact O-N 3.36Å; F283-D285 VanDerWaalsContact O-N 3.15Å; D285-C287 PolarHBondContact O-N 3.19Å; D285-C287 WeakPolarHBondContact OD1-CB 3.34Å; D285-C287 PolarHBondContact OD1-N 2.54Å; D285-E288 HydrophobicContact CB-CG 4.4Å; D285-E288 PolarHBondContact O-N 2.16Å
286P59.7Low69.4Low50 Ų5080.6 Ų80.633%0.32546%0.462SS..THydrogen-bonded Turntrans-56.4-16.8175.8-25.436.1000114.2P284 Q290P284-P286 VanDerWaalsContact O-CD 3.3Å; P284-P286 WeakPolarHBondContact O-CD 3.34Å; P286-Q290 WeakPolarHBondContact O-CG 3.26Å; P286-Q290 PolarHBondContact O-NE2 2.84Å
287C52.1Low69.2Low81 Ų8185.5 Ų85.555%0.54749%0.494SS..THydrogen-bonded Turntrans-74.5-27.3-179.5-75.60000115.5D285 E289 Q290D285-C287 PolarHBondContact O-N 3.19Å; D285-C287 WeakPolarHBondContact OD1-CB 3.34Å; D285-C287 PolarHBondContact OD1-N 2.54Å; C287-E289 VanDerWaalsContact C-N 3.34Å; C287-E289 PolarHBondContact O-N 3.01Å; C287-Q290 PolarHBondContact O-N 3.34Å
288E51.6Low69.1Low163 Ų16384.9 Ų84.976%0.76250%0.497SS*.THydrogen-bonded Turntrans-65.2-29.2-165.3-71.9-172.6154.100115.3D285D285-E288 HydrophobicContact CB-CG 4.4Å; D285-E288 PolarHBondContact O-N 2.16Å
289E55.6Low69.2Low79 Ų7980.6 Ų80.637%0.36948%0.477SS..THydrogen-bonded Turntrans-107.8-1.3178.6-84.9-170.9160.800115.2P82 K160 K162 C287P82-E289 WeakPolarHBondContact CA-OE2 3.3Å; P82-E289 HydrophobicContact CB-CB 4.16Å; P82-E289 HydrophobicContact CB-CG 4.34Å; P82-E289 VanDerWaalsContact CB-OE2 3.28Å; P82-E289 WeakPolarHBondContact CB-OE2 3.4Å; K160-E289 IonicContact NZ-OE1 3.31Å; K160-E289 PolarHBondContact NZ-OE1 3.21Å; K160-E289 IonicContact NZ-OE2 3.34Å; K160-E289 PolarHBondContact NZ-OE2 3.42Å; K162-E289 IonicContact NZ-OE2 3.32Å; C287-E289 VanDerWaalsContact C-N 3.34Å; C287-E289 PolarHBondContact O-N 3.01Å
290Q59.3Low70.1Confident86 Ų8679.1 Ų79.140%0.40246%0.457SS..SBendtrans-57.7145.5-179.2-81.1176.857.100111.8P286 C287 P292P286-Q290 WeakPolarHBondContact O-CG 3.26Å; P286-Q290 PolarHBondContact O-NE2 2.84Å; C287-Q290 PolarHBondContact O-N 3.34Å; Q290-P292 WeakPolarHBondContact O-CD 3.35Å; Q290-P292 VanDerWaalsContact O-N 3.13Å
291T58.4Low71.6Confident40 Ų4079.8 Ų79.825%0.24544%0.444CS..PPolyproline II helixtrans-63.1116.2-178.2-55.90000109.5L293 L317T291-L293 PolarHBondContact O-N 3.43Å; T291-L317 HydrophobicContact CG2-CB 4.43Å; T291-L317 HydrophobicContact CG2-CD2 4.04Å
292P59.9Low73Confident50 Ų5079.5 Ų79.533%0.32544%0.437SS..PPolyproline II helixtrans-60.4135.6-172.9-26.336000112.2Q290 K294Q290-P292 WeakPolarHBondContact O-CD 3.35Å; Q290-P292 VanDerWaalsContact O-N 3.13Å; P292-K294 WeakPolarHBondContact CB-O 3.44Å; P292-K294 PolarHBondContact O-N 3.13Å; P292-K294 VanDerWaalsContact O-N 3.1Å
293L67.1Low74.4Confident177 Ų17773.1 Ų73.193%0.92740%0.398SS*.SBendtrans-60.3-20.7-179.9-75.8168.8000113.9T291T291-L293 PolarHBondContact O-N 3.43Å
294K78.8Confident75.3Confident178 Ų17872.5 Ų72.577%0.77441%0.406SS*.SBendtrans-122.8130.9170.2-66.7-175.3177.5-177.40108.4P292P292-K294 WeakPolarHBondContact CB-O 3.44Å; P292-K294 PolarHBondContact O-N 3.13Å; P292-K294 VanDerWaalsContact O-N 3.1Å
295P85.9Confident76.6Confident21 Ų2178 Ų7814%0.13643%0.429CS..  trans-70.2155.8177.231-35.8000111.7P297 V300 I313 E314 L317 Y329P295-P297 WeakPolarHBondContact O-CD 3.34Å; P295-V300 HydrophobicContact CB-CG2 3.65Å; P295-V300 HydrophobicContact CG-CG2 3.73Å; P295-I313 HydrophobicContact CB-CG2 4.5Å; P295-E314 HydrophobicContact CG-CG 3.67Å; P295-L317 HydrophobicContact CB-CD1 3.82Å; P295-Y329 VanDerWaalsContact CA-OH 3.29Å; P295-Y329 WeakPolarHBondContact CA-OH 3.47Å; P295-Y329 HydrophobicContact CB-CE2 3.63Å
296D90.7Very high77.8Confident67 Ų6776.8 Ų76.836%0.35842%0.421SS..  trans-67120.1174.1-175.2-39000109.8A298 I299 V300 Y329D296-A298 PolarHBondContact O-N 3.47Å; D296-A298 WeakPolarHBondContact OD1-CA 3.48Å; D296-A298 VanDerWaalsContact OD1-CB 3.29Å; D296-A298 WeakPolarHBondContact OD1-CB 3.46Å; D296-A298 PolarHBondContact OD1-N 3.05Å; D296-I299 HydrophobicContact CB-CB 4.18Å; D296-I299 HydrophobicContact CB-CD1 3.8Å; D296-I299 HydrophobicContact CB-CG1 3.83Å; D296-I299 PolarHBondContact O-N 3.03Å; D296-I299 VanDerWaalsContact O-N 3.11Å; D296-V300 WeakPolarHBondContact O-CG2 3.48Å; D296-V300 PolarHBondContact O-N 3.42Å; D296-Y329 PolarHBondContact N-OH 3.08Å
297P92.1Very high79.3Confident103 Ų10377.6 Ų77.667%0.66944%0.439SS*.Hα-helixtrans-58.3-30.3-179.4-25.435.3000114.2P295 K301P295-P297 WeakPolarHBondContact O-CD 3.34Å; P297-K301 VanDerWaalsContact O-CB 3.3Å; P297-K301 WeakPolarHBondContact O-CB 3.34Å; P297-K301 PolarHBondContact O-N 3.17Å
298A91.5Very high81.2Confident63 Ų6375.2 Ų75.252%0.52142%0.419SS..Hα-helixtrans-70.1-40.9177.300000111.3D296 K301 A302D296-A298 PolarHBondContact O-N 3.47Å; D296-A298 WeakPolarHBondContact OD1-CA 3.48Å; D296-A298 VanDerWaalsContact OD1-CB 3.29Å; D296-A298 WeakPolarHBondContact OD1-CB 3.46Å; D296-A298 PolarHBondContact OD1-N 3.05Å; A298-K301 PolarHBondContact O-N 3.19Å; A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 2.96Å
299I92.3Very high83.2Confident2 Ų273.8 Ų73.81%0.0141%0.412CS..Hα-helixtrans-67.8-43.8175.4-56.1178.7000110.4D296 K301 A302 M303 Y329 L332 K333 I336D296-I299 HydrophobicContact CB-CB 4.18Å; D296-I299 HydrophobicContact CB-CD1 3.8Å; D296-I299 HydrophobicContact CB-CG1 3.83Å; D296-I299 PolarHBondContact O-N 3.03Å; D296-I299 VanDerWaalsContact O-N 3.11Å; I299-K301 VanDerWaalsContact C-N 3.32Å; I299-K301 PolarHBondContact O-N 2.79Å; I299-A302 PolarHBondContact O-N 3.33Å; I299-M303 HydrophobicContact CG2-CG 4.33Å; I299-M303 HydrophobicContact CG2-SD 4.13Å; I299-M303 WeakPolarHBondContact O-CB 3.49Å; I299-M303 WeakPolarHBondContact O-CG 3.35Å; I299-M303 PolarHBondContact O-N 3.21Å; I299-Y329 HydrophobicContact CB-CD2 4.15Å; I299-Y329 HydrophobicContact CB-CE2 3.79Å; I299-Y329 HydrophobicContact CD1-CE2 4.22Å; I299-Y329 HydrophobicContact CG2-CD2 3.43Å; I299-Y329 VanDerWaalsContact CG2-CD2 3.43Å; I299-Y329 HydrophobicContact CG2-CE2 3.6Å; I299-Y329 HydrophobicContact CG2-CG 4.24Å; I299-L332 HydrophobicContact CG2-CB 3.91Å; I299-L332 HydrophobicContact CG2-CD1 4.14Å; I299-K333 HydrophobicContact CD1-CB 3.64Å; I299-K333 HydrophobicContact CD1-CG 3.94Å; I299-I336 HydrophobicContact CD1-CD1 3.94Å; I299-I336 HydrophobicContact CG1-CD1 3.55Å
300V93.7Very high85Confident22 Ų2272.2 Ų72.213%0.13341%0.413CS..Hα-helixtrans-58.1-45.7176.1173.40000110.7P295 D296 M303 G304 A310 I313P295-V300 HydrophobicContact CB-CG2 3.65Å; P295-V300 HydrophobicContact CG-CG2 3.73Å; D296-V300 WeakPolarHBondContact O-CG2 3.48Å; D296-V300 PolarHBondContact O-N 3.42Å; V300-M303 PolarHBondContact O-N 3.27Å; V300-G304 PolarHBondContact O-N 3.3Å; V300-A310 HydrophobicContact CG1-CB 3.64Å; V300-I313 HydrophobicContact CG1-CD1 4.3Å; V300-I313 HydrophobicContact CG2-CG2 4.21Å
301K92.8Very high86.6Confident142 Ų14273.4 Ų73.462%0.61742%0.419SS*.Hα-helixtrans-62.7-44.1175.6-173.7178.1-178.6-179.10112.3P297 A298 I299 G304 H305P297-K301 VanDerWaalsContact O-CB 3.3Å; P297-K301 WeakPolarHBondContact O-CB 3.34Å; P297-K301 PolarHBondContact O-N 3.17Å; A298-K301 PolarHBondContact O-N 3.19Å; I299-K301 VanDerWaalsContact C-N 3.32Å; I299-K301 PolarHBondContact O-N 2.79Å; K301-G304 PolarHBondContact O-N 2.96Å; K301-H305 PolarHBondContact O-N 3.2Å
302A91.4Very high88.3Confident42 Ų4275 Ų7535%0.34743%0.426SS..Hα-helixtrans-62.1-43.7178.100000112.1A298 I299 G304 H305A298-A302 WeakPolarHBondContact O-CB 3.28Å; A298-A302 PolarHBondContact O-N 2.96Å; I299-A302 PolarHBondContact O-N 3.33Å; A302-G304 VanDerWaalsContact C-N 3.31Å; A302-G304 PolarHBondContact O-N 2.91Å; A302-H305 PolarHBondContact O-N 2.85Å
303M93.9Very high89.9Confident0 Ų072.7 Ų72.70%041%0.411CS..Hα-helixtrans-66.5-32.4174-70.4-17664.600112.6I299 V300 H305 I306 G307 F308 I313 T325 Y329 L332I299-M303 HydrophobicContact CG2-CG 4.33Å; I299-M303 HydrophobicContact CG2-SD 4.13Å; I299-M303 WeakPolarHBondContact O-CB 3.49Å; I299-M303 WeakPolarHBondContact O-CG 3.35Å; I299-M303 PolarHBondContact O-N 3.21Å; V300-M303 PolarHBondContact O-N 3.27Å; M303-H305 VanDerWaalsContact C-N 3.3Å; M303-H305 PolarHBondContact O-N 2.85Å; M303-I306 CarbonylContact O-C 3.58Å; M303-I306 PolarHBondContact O-N 2.95Å; M303-G307 PolarHBondContact O-N 3.43Å; M303-F308 HydrophobicContact CB-CB 4.06Å; M303-F308 HydrophobicContact CB-CD2 4Å; M303-F308 HydrophobicContact CB-CG 4.36Å; M303-F308 HydrophobicContact CE-CB 4.1Å; M303-F308 HydrophobicContact CE-CD1 3.94Å; M303-F308 HydrophobicContact CE-CD2 3.66Å; M303-F308 HydrophobicContact CE-CE1 4.23Å; M303-F308 HydrophobicContact CE-CE2 3.97Å; M303-F308 HydrophobicContact CE-CG 3.63Å; M303-F308 HydrophobicContact CE-CZ 4.23Å; M303-F308 HydrophobicContact CG-CD2 4.48Å; M303-F308 PolarHBondContact O-N 3.37Å; M303-I313 HydrophobicContact CB-CD1 3.67Å; M303-I313 HydrophobicContact CE-CD1 3.92Å; M303-I313 HydrophobicContact CE-CG1 3.84Å; M303-I313 HydrophobicContact CG-CD1 4.39Å; M303-I313 HydrophobicContact SD-CD1 3.91Å; M303-I313 HydrophobicContact SD-CG1 4.24Å; M303-T325 HydrophobicContact CE-CG2 4.14Å; M303-Y329 VanDerWaalsContact SD-CA 3.53Å; M303-Y329 HydrophobicContact SD-CD2 3.98Å; M303-Y329 HydrophobicContact SD-CG 4.31Å; M303-L332 HydrophobicContact CG-CD1 3.45Å; M303-L332 VanDerWaalsContact CG-CD1 3.45Å; M303-L332 HydrophobicContact SD-CD1 4.16Å
304G91.9Very high91.1Very high37 Ų3768.6 Ų68.638%0.38139%0.387SS..Hα-helixtrans-55.8-41.8172.200000113.1V300 K301 A302 I306 G307 F308V300-G304 PolarHBondContact O-N 3.3Å; K301-G304 PolarHBondContact O-N 2.96Å; A302-G304 VanDerWaalsContact C-N 3.31Å; A302-G304 PolarHBondContact O-N 2.91Å; G304-I306 PolarHBondContact O-N 3.35Å; G304-G307 PolarHBondContact O-N 3.14Å; G304-F308 WeakPolarHBondContact CA-O 3.37Å
305H89.5Confident91.7Very high150 Ų15062.5 Ų62.569%0.69436%0.363SS*.THydrogen-bonded Turntrans-65.9-15.9175.6-55.8146.4000114K301 A302 M303K301-H305 PolarHBondContact O-N 3.2Å; A302-H305 PolarHBondContact O-N 2.85Å; M303-H305 VanDerWaalsContact C-N 3.3Å; M303-H305 PolarHBondContact O-N 2.85Å
306I86Confident92Very high59 Ų5961.5 Ų61.530%0.30336%0.356SS..THydrogen-bonded Turntrans-101.75.1177.5-40.7173.1000110.7L49 M303 G304 F308 F356L49-I306 HydrophobicContact CD2-CG2 4.18Å; M303-I306 CarbonylContact O-C 3.58Å; M303-I306 PolarHBondContact O-N 2.95Å; G304-I306 PolarHBondContact O-N 3.35Å; I306-F308 HydrophobicContact CB-CD2 4.45Å; I306-F356 HydrophobicContact CD1-CD2 4.48Å; I306-F356 HydrophobicContact CD1-CE1 4.44Å; I306-F356 HydrophobicContact CD1-CE2 3.56Å; I306-F356 HydrophobicContact CD1-CZ 3.55Å; I306-F356 HydrophobicContact CG1-CE2 4.2Å
307G90.4Very high92.1Very high67 Ų6758.8 Ų58.869%0.69134%0.342SS*.THydrogen-bonded Turntrans93.19.7174.100000116.1M303 G304M303-G307 PolarHBondContact O-N 3.43Å; G304-G307 PolarHBondContact O-N 3.14Å
308F92.8Very high92Very high32 Ų3264.2 Ų64.214%0.1435%0.349CS..  trans-81.5138.3170.2-66.1-85.1000111.2L49 M303 G304 I306 I313 Q324 T325L49-F308 HydrophobicContact CD1-CE2 3.89Å; L49-F308 HydrophobicContact CD1-CZ 3.8Å; M303-F308 HydrophobicContact CB-CB 4.06Å; M303-F308 HydrophobicContact CB-CD2 4Å; M303-F308 HydrophobicContact CB-CG 4.36Å; M303-F308 HydrophobicContact CE-CB 4.1Å; M303-F308 HydrophobicContact CE-CD1 3.94Å; M303-F308 HydrophobicContact CE-CD2 3.66Å; M303-F308 HydrophobicContact CE-CE1 4.23Å; M303-F308 HydrophobicContact CE-CE2 3.97Å; M303-F308 HydrophobicContact CE-CG 3.63Å; M303-F308 HydrophobicContact CE-CZ 4.23Å; M303-F308 HydrophobicContact CG-CD2 4.48Å; M303-F308 PolarHBondContact O-N 3.37Å; G304-F308 WeakPolarHBondContact CA-O 3.37Å; I306-F308 HydrophobicContact CB-CD2 4.45Å; F308-I313 HydrophobicContact CB-CD1 3.96Å; F308-I313 HydrophobicContact CB-CG1 4.2Å; F308-Q324 HydrophobicContact CZ-CG 4.41Å; F308-T325 HydrophobicContact CD1-CG2 3.81Å; F308-T325 HydrophobicContact CE1-CG2 4.21Å
309Q93.9Very high91.8Very high132 Ų13264.7 Ų64.762%0.61734%0.34SS*.  trans-85144.6174.2-53.2-168.419.200111.1Q311 D312 I313Q309-Q311 VanDerWaalsContact C-N 3.29Å; Q309-Q311 PolarHBondContact O-N 2.98Å; Q309-D312 HydrophobicContact CB-CB 4.4Å; Q309-D312 PolarHBondContact O-N 3.2Å; Q309-D312 VanDerWaalsContact O-N 3.14Å; Q309-I313 WeakPolarHBondContact O-CG1 3.18Å; Q309-I313 PolarHBondContact O-N 2.94Å; Q309-I313 VanDerWaalsContact O-N 3.13Å
310A93.2Very high91.7Very high47 Ų4767.4 Ų67.439%0.38835%0.35SS..Hα-helixtrans-56.8-42.5178.700000112.4V300 D312 I313 E314V300-A310 HydrophobicContact CG1-CB 3.64Å; A310-D312 PolarHBondContact O-N 2.75Å; A310-I313 WeakPolarHBondContact O-CB 3.39Å; A310-I313 PolarHBondContact O-N 3.43Å; A310-E314 PolarHBondContact O-N 3.02Å
311Q93.2Very high91.5Very high110 Ų11069.5 Ų69.551%0.51436%0.358SS..Hα-helixtrans-61.8-41177.2-167.964.559.400112.4Q309 I313 E314 D315Q309-Q311 VanDerWaalsContact C-N 3.29Å; Q309-Q311 PolarHBondContact O-N 2.98Å; Q311-I313 VanDerWaalsContact C-N 3.29Å; Q311-I313 PolarHBondContact O-N 3.38Å; Q311-E314 PolarHBondContact O-N 3.11Å; Q311-D315 PolarHBondContact NE2-OD1 3.22Å; Q311-D315 VanDerWaalsContact O-CB 3.28Å; Q311-D315 WeakPolarHBondContact O-CB 3.34Å; Q311-D315 PolarHBondContact O-N 2.84Å
312D93.3Very high91.5Very high74 Ų7463.1 Ų63.140%0.39633%0.33SS..Hα-helixtrans-64-37176.8-75.3-44.1000111.6Q309 A310 S316Q309-D312 HydrophobicContact CB-CB 4.4Å; Q309-D312 PolarHBondContact O-N 3.2Å; Q309-D312 VanDerWaalsContact O-N 3.14Å; A310-D312 PolarHBondContact O-N 2.75Å; D312-S316 WeakPolarHBondContact O-CB 3.28Å; D312-S316 PolarHBondContact O-N 3.12Å
313I93.1Very high91.6Very high1 Ų163.4 Ų63.41%0.00533%0.326CS..Hα-helixtrans-66.7-52.2176.5-62.4163.6000110P295 V300 M303 F308 Q309 A310 Q311 S316 L317 T325 Y329P295-I313 HydrophobicContact CB-CG2 4.5Å; V300-I313 HydrophobicContact CG1-CD1 4.3Å; V300-I313 HydrophobicContact CG2-CG2 4.21Å; M303-I313 HydrophobicContact CB-CD1 3.67Å; M303-I313 HydrophobicContact CE-CD1 3.92Å; M303-I313 HydrophobicContact CE-CG1 3.84Å; M303-I313 HydrophobicContact CG-CD1 4.39Å; M303-I313 HydrophobicContact SD-CD1 3.91Å; M303-I313 HydrophobicContact SD-CG1 4.24Å; F308-I313 HydrophobicContact CB-CD1 3.96Å; F308-I313 HydrophobicContact CB-CG1 4.2Å; Q309-I313 WeakPolarHBondContact O-CG1 3.18Å; Q309-I313 PolarHBondContact O-N 2.94Å; Q309-I313 VanDerWaalsContact O-N 3.13Å; A310-I313 WeakPolarHBondContact O-CB 3.39Å; A310-I313 PolarHBondContact O-N 3.43Å; Q311-I313 VanDerWaalsContact C-N 3.29Å; Q311-I313 PolarHBondContact O-N 3.38Å; I313-S316 PolarHBondContact O-N 3.07Å; I313-L317 HydrophobicContact CG2-CD1 3.78Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.16Å; I313-L317 PolarHBondContact O-N 3.02Å; I313-T325 HydrophobicContact CB-CG2 4.26Å; I313-T325 HydrophobicContact CG1-CG2 3.66Å; I313-Y329 HydrophobicContact CG2-CD2 3.71Å; I313-Y329 HydrophobicContact CG2-CE2 4.34Å; I313-Y329 HydrophobicContact CG2-CG 4.3Å
314E92.4Very high91.7Very high91 Ų9166.2 Ų66.243%0.42534%0.339SS..Hα-helixtrans-56.6-52.8177.9-76.7-178-157.200112.1P295 A310 Q311 S316 L317 R318P295-E314 HydrophobicContact CG-CG 3.67Å; A310-E314 PolarHBondContact O-N 3.02Å; Q311-E314 PolarHBondContact O-N 3.11Å; E314-S316 VanDerWaalsContact C-N 3.26Å; E314-S316 PolarHBondContact O-N 2.87Å; E314-L317 PolarHBondContact O-N 3.05Å; E314-R318 WeakPolarHBondContact O-CB 3.37Å; E314-R318 PolarHBondContact O-N 3.07Å
315D92.7Very high91.8Very high50 Ų5065.4 Ų65.427%0.26733%0.327SS..Hα-helixtrans-60.4-37.8178.2-81.813.9000111.9Q311 Q319 K321Q311-D315 PolarHBondContact NE2-OD1 3.22Å; Q311-D315 VanDerWaalsContact O-CB 3.28Å; Q311-D315 WeakPolarHBondContact O-CB 3.34Å; Q311-D315 PolarHBondContact O-N 2.84Å; D315-Q319 VanDerWaalsContact O-CB 3.28Å; D315-Q319 WeakPolarHBondContact O-CB 3.17Å; D315-Q319 WeakPolarHBondContact O-CG 3.36Å; D315-Q319 PolarHBondContact O-N 3.16Å; D315-K321 WeakPolarHBondContact O-CE 3.35Å
316S92.5Very high92Very high0 Ų058.5 Ų58.50%030%0.295CS..Hα-helixtrans-72.6-35.5-177.1-170.50000113.2D312 I313 E314 R320 K321 N323D312-S316 WeakPolarHBondContact O-CB 3.28Å; D312-S316 PolarHBondContact O-N 3.12Å; I313-S316 PolarHBondContact O-N 3.07Å; E314-S316 VanDerWaalsContact C-N 3.26Å; E314-S316 PolarHBondContact O-N 2.87Å; S316-R320 WeakPolarHBondContact O-CA 3.36Å; S316-R320 PolarHBondContact O-N 3.18Å; S316-K321 PolarHBondContact O-N 3.33Å; S316-N323 VanDerWaalsContact OG-CG 3.28Å; S316-N323 PolarHBondContact OG-ND2 2.96Å; S316-N323 VanDerWaalsContact OG-ND2 3.09Å; S316-N323 PolarHBondContact OG-OD1 3.22Å
317L91.5Very high92.4Very high11 Ų1155.7 Ų55.76%0.05828%0.28CS..Hα-helixtrans-74.5-49.8173.9-65.8167.4000110.6T291 P295 I313 E314 Q319 R320 M326 Y329T291-L317 HydrophobicContact CG2-CB 4.43Å; T291-L317 HydrophobicContact CG2-CD2 4.04Å; P295-L317 HydrophobicContact CB-CD1 3.82Å; I313-L317 HydrophobicContact CG2-CD1 3.78Å; I313-L317 HydrophobicContact CG2-CG 4.48Å; I313-L317 VanDerWaalsContact O-CG 3.31Å; I313-L317 WeakPolarHBondContact O-CG 3.16Å; I313-L317 PolarHBondContact O-N 3.02Å; E314-L317 PolarHBondContact O-N 3.05Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.08Å; L317-R320 PolarHBondContact O-N 2.65Å; L317-M326 HydrophobicContact CD2-CG 4.23Å; L317-Y329 HydrophobicContact CD1-CD1 3.63Å; L317-Y329 HydrophobicContact CD1-CD2 3.93Å; L317-Y329 HydrophobicContact CD1-CE1 3.67Å; L317-Y329 HydrophobicContact CD1-CE2 3.97Å; L317-Y329 HydrophobicContact CD1-CG 3.77Å; L317-Y329 HydrophobicContact CD2-CD1 3.44Å; L317-Y329 VanDerWaalsContact CD2-CD1 3.44Å; L317-Y329 HydrophobicContact CD2-CE1 3.99Å; L317-Y329 HydrophobicContact CD2-CG 4Å; L317-Y329 HydrophobicContact CG-CD1 4.14Å; L317-Y329 HydrophobicContact CG-CE1 4.5Å; L317-Y329 HydrophobicContact CG-CG 4.37Å
318R89.3Confident92.7Very high217 Ų21752.6 Ų52.682%0.81925%0.248SC*.Hα-helixtrans-60.3-38.2-177.6-171.5179.1-173.1-172.84.5113.1E314E314-R318 WeakPolarHBondContact O-CB 3.37Å; E314-R318 PolarHBondContact O-N 3.07Å
319Q89Confident92.8Very high72 Ų7251.2 Ų51.234%0.33624%0.242SC..THydrogen-bonded Turntrans-91.60.4177.4-60.3177.7600113.3D315 L317 K321 M480D315-Q319 VanDerWaalsContact O-CB 3.28Å; D315-Q319 WeakPolarHBondContact O-CB 3.17Å; D315-Q319 WeakPolarHBondContact O-CG 3.36Å; D315-Q319 PolarHBondContact O-N 3.16Å; L317-Q319 VanDerWaalsContact C-N 3.31Å; L317-Q319 PolarHBondContact O-N 3.08Å; Q319-K321 HydrophobicContact CB-CG 3.98Å; Q319-K321 PolarHBondContact O-N 2.7Å; Q319-M480 HydrophobicContact CB-CE 4.41Å; Q319-M480 WeakPolarHBondContact O-CE 3.49Å
320R89.2Confident92.7Very high59 Ų5946.2 Ų46.222%0.22322%0.221CC..THydrogen-bonded Turntrans42.763.2-171.6-65.7170.765.2102.5-10.6111.2M77 A79 D80 S316 L317 F322 M326M77-R320 PolarHBondContact O-NE 2.79Å; M77-R320 PolarHBondContact O-NH2 2.98Å; A79-R320 PolarHBondContact O-NH2 3.31Å; D80-R320 VanDerWaalsContact CG-NH1 3.35Å; D80-R320 IonicContact OD2-CZ 2.61Å; D80-R320 IonicContact OD2-NH1 2.65Å; D80-R320 PolarHBondContact OD2-NH1 2.68Å; S316-R320 WeakPolarHBondContact O-CA 3.36Å; S316-R320 PolarHBondContact O-N 3.18Å; L317-R320 PolarHBondContact O-N 2.65Å; R320-F322 VanDerWaalsContact C-N 3.27Å; R320-F322 HydrophobicContact CB-CD2 4.39Å; R320-F322 HydrophobicContact CB-CE2 3.72Å; R320-F322 HydrophobicContact CB-CZ 4.13Å; R320-F322 WeakPolarHBondContact O-CD2 3.4Å; R320-F322 WeakPolarHBondContact O-CE2 3.35Å; R320-F322 PolarHBondContact O-N 3.42Å; R320-M326 HydrophobicContact CB-CE 4.36Å; R320-M326 HydrophobicContact CB-SD 4.42Å; R320-M326 HydrophobicContact CG-CE 4.41Å
321K90.7Very high92.7Very high67 Ų6744.2 Ų44.229%0.29120%0.204SC..  trans-72.8-13.1-172.7-65.5-177.3-172.5167.70114.3D315 S316 Q319 N323D315-K321 WeakPolarHBondContact O-CE 3.35Å; S316-K321 PolarHBondContact O-N 3.33Å; Q319-K321 HydrophobicContact CB-CG 3.98Å; Q319-K321 PolarHBondContact O-N 2.7Å; K321-N323 HydrophobicContact CB-CB 4.47Å; K321-N323 PolarHBondContact O-N 3.1Å
322F92.1Very high92.7Very high7 Ų740.1 Ų40.13%0.03119%0.186CC..  trans45.245.7-175.8-59.6-83.3000113.4M77 L87 Q89 V90 R320 M326M77-F322 HydrophobicContact CB-CD2 4.13Å; M77-F322 HydrophobicContact CB-CE2 3.56Å; M77-F322 HydrophobicContact CB-CZ 4Å; M77-F322 HydrophobicContact CE-CD2 3.52Å; M77-F322 HydrophobicContact CE-CE2 3.98Å; M77-F322 HydrophobicContact CE-CG 4.49Å; M77-F322 HydrophobicContact CG-CD2 3.61Å; M77-F322 HydrophobicContact CG-CE2 3.57Å; M77-F322 HydrophobicContact CG-CG 4.19Å; M77-F322 HydrophobicContact CG-CZ 4.13Å; M77-F322 WeakPolarHBondContact O-CZ 3.4Å; M77-F322 HydrophobicContact SD-CD2 4.3Å; L87-F322 HydrophobicContact CB-CD1 4.17Å; L87-F322 HydrophobicContact CB-CE1 3.95Å; L87-F322 HydrophobicContact CD2-CD1 3.79Å; L87-F322 HydrophobicContact CD2-CE1 4Å; L87-F322 HydrophobicContact CD2-CG 4.23Å; L87-F322 HydrophobicContact CG-CD1 3.77Å; L87-F322 HydrophobicContact CG-CE1 4.05Å; L87-F322 VanDerWaalsContact O-CE1 3.28Å; L87-F322 WeakPolarHBondContact O-CE1 3.06Å; Q89-F322 CarbonylContact C-O 3.58Å; Q89-F322 VanDerWaalsContact CA-O 3.29Å; Q89-F322 WeakPolarHBondContact CA-O 3.31Å; Q89-F322 WeakPolarHBondContact CG-O 3.46Å; V90-F322 HydrophobicContact CG2-CB 4.3Å; V90-F322 PolarHBondContact N-O 3.44Å; R320-F322 VanDerWaalsContact C-N 3.27Å; R320-F322 HydrophobicContact CB-CD2 4.39Å; R320-F322 HydrophobicContact CB-CE2 3.72Å; R320-F322 HydrophobicContact CB-CZ 4.13Å; R320-F322 WeakPolarHBondContact O-CD2 3.4Å; R320-F322 WeakPolarHBondContact O-CE2 3.35Å; R320-F322 PolarHBondContact O-N 3.42Å; F322-M326 HydrophobicContact CD1-CE 3.96Å; F322-M326 HydrophobicContact CD1-SD 4.12Å; F322-M326 HydrophobicContact CE1-CE 3.7Å; F322-M326 HydrophobicContact CE1-SD 4.4Å; F322-M326 HydrophobicContact CG-SD 4.23Å; F322-M326 HydrophobicContact CZ-CE 4.09Å; F322-M326 PolarHBondContact N-SD 3.27Å; F322-M326 VanDerWaalsContact N-SD 3.36Å
323N93.9Very high92.6Very high48 Ų4839.2 Ų39.226%0.25718%0.178SC..SBendtrans-108.9-175.3178.266.610.9000110.5S316 K321 T325 M326 A327S316-N323 VanDerWaalsContact OG-CG 3.28Å; S316-N323 PolarHBondContact OG-ND2 2.96Å; S316-N323 VanDerWaalsContact OG-ND2 3.09Å; S316-N323 PolarHBondContact OG-OD1 3.22Å; K321-N323 HydrophobicContact CB-CB 4.47Å; K321-N323 PolarHBondContact O-N 3.1Å; N323-T325 VanDerWaalsContact C-N 3.3Å; N323-T325 PolarHBondContact O-N 3.33Å; N323-T325 WeakPolarHBondContact OD1-CB 3.41Å; N323-T325 PolarHBondContact OD1-N 3.16Å; N323-T325 VanDerWaalsContact OD1-N 3.08Å; N323-M326 PolarHBondContact O-N 3.34Å; N323-M326 PolarHBondContact OD1-N 3Å; N323-A327 PolarHBondContact O-N 3.03Å
324Q94.9Very high92.4Very high59 Ų5942.2 Ų42.228%0.27619%0.191SC..Hα-helixtrans-59.7-37.2178-175.6179.8-6.900113Q27 F308 S328Q27-Q324 HydrophobicContact CG-CG 4.31Å; F308-Q324 HydrophobicContact CZ-CG 4.41Å; Q324-S328 VanDerWaalsContact O-CB 3.26Å; Q324-S328 WeakPolarHBondContact O-CB 3.25Å; Q324-S328 PolarHBondContact O-N 3.34Å; Q324-S328 PolarHBondContact O-OG 3.15Å
325T94.7Very high92.1Very high21 Ų2140.4 Ų40.413%0.12918%0.183CC..Hα-helixtrans-64-50.3179.2-480000111.3M303 F308 I313 N323 S328 Y329M303-T325 HydrophobicContact CE-CG2 4.14Å; F308-T325 HydrophobicContact CD1-CG2 3.81Å; F308-T325 HydrophobicContact CE1-CG2 4.21Å; I313-T325 HydrophobicContact CB-CG2 4.26Å; I313-T325 HydrophobicContact CG1-CG2 3.66Å; N323-T325 VanDerWaalsContact C-N 3.3Å; N323-T325 PolarHBondContact O-N 3.33Å; N323-T325 WeakPolarHBondContact OD1-CB 3.41Å; N323-T325 PolarHBondContact OD1-N 3.16Å; N323-T325 VanDerWaalsContact OD1-N 3.08Å; T325-S328 PolarHBondContact O-N 3.41Å; T325-Y329 PolarHBondContact O-N 3.39Å
326M94Very high91.8Very high5 Ų541.3 Ų41.33%0.02519%0.187CC..Hα-helixtrans-60.2-48.5176179170.7175.300111.5L317 R320 F322 N323 S328 Y329 C330L317-M326 HydrophobicContact CD2-CG 4.23Å; R320-M326 HydrophobicContact CB-CE 4.36Å; R320-M326 HydrophobicContact CB-SD 4.42Å; R320-M326 HydrophobicContact CG-CE 4.41Å; F322-M326 HydrophobicContact CD1-CE 3.96Å; F322-M326 HydrophobicContact CD1-SD 4.12Å; F322-M326 HydrophobicContact CE1-CE 3.7Å; F322-M326 HydrophobicContact CE1-SD 4.4Å; F322-M326 HydrophobicContact CG-SD 4.23Å; F322-M326 HydrophobicContact CZ-CE 4.09Å; F322-M326 PolarHBondContact N-SD 3.27Å; F322-M326 VanDerWaalsContact N-SD 3.36Å; N323-M326 PolarHBondContact O-N 3.34Å; N323-M326 PolarHBondContact OD1-N 3Å; M326-S328 PolarHBondContact O-N 3.11Å; M326-Y329 PolarHBondContact O-N 3.43Å; M326-C330 WeakPolarHBondContact O-CB 3.18Å; M326-C330 PolarHBondContact O-N 2.9Å; M326-C330 PolarHBondContact O-SG 3.33Å
327A94.7Very high91.4Very high0 Ų045.7 Ų45.70%021%0.21CC..Hα-helixtrans-61.8-43.3178.500000112.7L88 Q89 N323 Y329 C330 L331L88-A327 HydrophobicContact CB-CB 4.06Å; Q89-A327 HydrophobicContact CB-CB 3.78Å; N323-A327 PolarHBondContact O-N 3.03Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; A327-Y329 PolarHBondContact O-N 3.48Å; A327-C330 PolarHBondContact O-N 3.37Å; A327-L331 VanDerWaalsContact O-CB 3.32Å; A327-L331 WeakPolarHBondContact O-CB 3.41Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.1Å
328S94.9Very high90.8Very high2 Ų249.5 Ų49.51%0.01423%0.226CC..Hα-helixtrans-59.7-46.1177.8-58.80000111.2H47 Q324 T325 M326 L331 L332H47-S328 PolarHBondContact CE1-OG 3.22Å; Q324-S328 VanDerWaalsContact O-CB 3.26Å; Q324-S328 WeakPolarHBondContact O-CB 3.25Å; Q324-S328 PolarHBondContact O-N 3.34Å; Q324-S328 PolarHBondContact O-OG 3.15Å; T325-S328 PolarHBondContact O-N 3.41Å; M326-S328 PolarHBondContact O-N 3.11Å; S328-L331 PolarHBondContact O-N 2.94Å; S328-L332 WeakPolarHBondContact O-CG 3.38Å; S328-L332 PolarHBondContact O-N 3.47Å
329Y94.7Very high90.1Very high3 Ų346.1 Ų46.11%0.01222%0.219CC..Hα-helixtrans-60.9-51.4175.8179.6-86.9000112.3P295 D296 I299 M303 I313 L317 T325 M326 A327 L331 L332 K333P295-Y329 VanDerWaalsContact CA-OH 3.29Å; P295-Y329 WeakPolarHBondContact CA-OH 3.47Å; P295-Y329 HydrophobicContact CB-CE2 3.63Å; D296-Y329 PolarHBondContact N-OH 3.08Å; I299-Y329 HydrophobicContact CB-CD2 4.15Å; I299-Y329 HydrophobicContact CB-CE2 3.79Å; I299-Y329 HydrophobicContact CD1-CE2 4.22Å; I299-Y329 HydrophobicContact CG2-CD2 3.43Å; I299-Y329 VanDerWaalsContact CG2-CD2 3.43Å; I299-Y329 HydrophobicContact CG2-CE2 3.6Å; I299-Y329 HydrophobicContact CG2-CG 4.24Å; M303-Y329 VanDerWaalsContact SD-CA 3.53Å; M303-Y329 HydrophobicContact SD-CD2 3.98Å; M303-Y329 HydrophobicContact SD-CG 4.31Å; I313-Y329 HydrophobicContact CG2-CD2 3.71Å; I313-Y329 HydrophobicContact CG2-CE2 4.34Å; I313-Y329 HydrophobicContact CG2-CG 4.3Å; L317-Y329 HydrophobicContact CD1-CD1 3.63Å; L317-Y329 HydrophobicContact CD1-CD2 3.93Å; L317-Y329 HydrophobicContact CD1-CE1 3.67Å; L317-Y329 HydrophobicContact CD1-CE2 3.97Å; L317-Y329 HydrophobicContact CD1-CG 3.77Å; L317-Y329 HydrophobicContact CD2-CD1 3.44Å; L317-Y329 VanDerWaalsContact CD2-CD1 3.44Å; L317-Y329 HydrophobicContact CD2-CE1 3.99Å; L317-Y329 HydrophobicContact CD2-CG 4Å; L317-Y329 HydrophobicContact CG-CD1 4.14Å; L317-Y329 HydrophobicContact CG-CE1 4.5Å; L317-Y329 HydrophobicContact CG-CG 4.37Å; T325-Y329 PolarHBondContact O-N 3.39Å; M326-Y329 PolarHBondContact O-N 3.43Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; A327-Y329 PolarHBondContact O-N 3.48Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 3.47Å; Y329-L332 PolarHBondContact O-N 2.86Å; Y329-K333 HydrophobicContact CE1-CD 4.5Å; Y329-K333 PolarHBondContact O-N 2.86Å
330C93Very high88.8Confident27 Ų2747.3 Ų47.318%0.18223%0.234CC..Hα-helixtrans-62.6-35.8-178.1-68.90000112.4L88 M326 A327 K334L88-C330 HydrophobicContact CD2-CB 3.84Å; M326-C330 WeakPolarHBondContact O-CB 3.18Å; M326-C330 PolarHBondContact O-N 2.9Å; M326-C330 PolarHBondContact O-SG 3.33Å; A327-C330 PolarHBondContact O-N 3.37Å; C330-K334 WeakPolarHBondContact O-CB 3.35Å; C330-K334 PolarHBondContact O-N 3.44Å; C330-K334 VanDerWaalsContact O-N 3.08Å
331L93.9Very high87.3Confident4 Ų450.8 Ų50.82%0.02126%0.257CS..Hα-helixtrans-69.8-43.9176.8-70.9171000112.3H47 T50 T52 V54 L88 A327 S328 Y329 K334 Q335H47-L331 HydrophobicContact CB-CD1 3.7Å; H47-L331 WeakPolarHBondContact ND1-CD1 3.22Å; T50-L331 HydrophobicContact CG2-CB 4.32Å; T52-L331 HydrophobicContact CG2-CD2 3.89Å; V54-L331 HydrophobicContact CG1-CD1 4.04Å; V54-L331 HydrophobicContact CG1-CD2 3.63Å; V54-L331 HydrophobicContact CG1-CG 4.48Å; L88-L331 HydrophobicContact CD1-CD2 3.67Å; L88-L331 HydrophobicContact CD1-CG 4.12Å; A327-L331 VanDerWaalsContact O-CB 3.32Å; A327-L331 WeakPolarHBondContact O-CB 3.41Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.1Å; S328-L331 PolarHBondContact O-N 2.94Å; Y329-L331 VanDerWaalsContact C-N 3.29Å; Y329-L331 PolarHBondContact O-N 3.47Å; L331-K334 PolarHBondContact O-N 3.24Å; L331-Q335 PolarHBondContact O-N 3.13Å
332L92.5Very high84.9Confident25 Ų2556.9 Ų56.913%0.13128%0.278CS..Hα-helixtrans-61.8-44173.8-71.7169.8000111.5T50 I299 M303 S328 Y329 K334 Q335 I336T50-L332 HydrophobicContact CG2-CD1 4.43Å; T50-L332 HydrophobicContact CG2-CD2 3.83Å; T50-L332 HydrophobicContact CG2-CG 3.73Å; I299-L332 HydrophobicContact CG2-CB 3.91Å; I299-L332 HydrophobicContact CG2-CD1 4.14Å; M303-L332 HydrophobicContact CG-CD1 3.45Å; M303-L332 VanDerWaalsContact CG-CD1 3.45Å; M303-L332 HydrophobicContact SD-CD1 4.16Å; S328-L332 WeakPolarHBondContact O-CG 3.38Å; S328-L332 PolarHBondContact O-N 3.47Å; Y329-L332 PolarHBondContact O-N 2.86Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 2.95Å; L332-Q335 WeakPolarHBondContact O-CB 3.39Å; L332-Q335 PolarHBondContact O-N 3.25Å; L332-Q335 VanDerWaalsContact O-N 3.1Å; L332-I336 PolarHBondContact O-N 2.84Å; L332-I336 VanDerWaalsContact O-N 3.07Å
333K91.5Very high82Confident55 Ų5562.4 Ų62.424%0.23932%0.315CS..Hα-helixtrans-56.7-44.7175.1-166.7-166.4177.7-1590111.2I299 Y329 Q335 I336 L337I299-K333 HydrophobicContact CD1-CB 3.64Å; I299-K333 HydrophobicContact CD1-CG 3.94Å; Y329-K333 HydrophobicContact CE1-CD 4.5Å; Y329-K333 PolarHBondContact O-N 2.86Å; K333-Q335 VanDerWaalsContact C-N 3.3Å; K333-Q335 PolarHBondContact O-N 2.91Å; K333-I336 PolarHBondContact O-N 3.32Å; K333-L337 HydrophobicContact CG-CD1 4.26Å; K333-L337 WeakPolarHBondContact O-CG 3.31Å; K333-L337 PolarHBondContact O-N 3.45Å; K333-L337 VanDerWaalsContact O-N 3.17Å
334K87.5Confident79.3Confident63 Ų6365.9 Ų65.927%0.27434%0.338SS..Hα-helixtrans-68.9-25.1179.3-166168.6-173.31780113.1E102 C330 L331 L332 K338E102-K334 IonicContact OE2-NZ 3.48Å; E102-K334 PolarHBondContact OE2-NZ 3.25Å; C330-K334 WeakPolarHBondContact O-CB 3.35Å; C330-K334 PolarHBondContact O-N 3.44Å; C330-K334 VanDerWaalsContact O-N 3.08Å; L331-K334 PolarHBondContact O-N 3.24Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 2.95Å; K334-K338 WeakPolarHBondContact O-CG 3.11Å; K334-K338 PolarHBondContact O-N 3.38Å
335Q87.6Confident76.2Confident54 Ų5475 Ų7525%0.25237%0.37SS..Hα-helixtrans-72.8-49.8172.5-75.7171.8-51.400111.5T50 T52 L331 L332 K333 L337 K338 E339T50-Q335 PolarHBondContact O-NE2 3.06Å; T52-Q335 HydrophobicContact CG2-CG 4.26Å; T52-Q335 PolarHBondContact OG1-NE2 2.68Å; T52-Q335 PolarHBondContact OG1-OE1 3.41Å; L331-Q335 PolarHBondContact O-N 3.13Å; L332-Q335 WeakPolarHBondContact O-CB 3.39Å; L332-Q335 PolarHBondContact O-N 3.25Å; L332-Q335 VanDerWaalsContact O-N 3.1Å; K333-Q335 VanDerWaalsContact C-N 3.3Å; K333-Q335 PolarHBondContact O-N 2.91Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 3.07Å; Q335-K338 PolarHBondContact O-N 3.19Å; Q335-K338 VanDerWaalsContact O-N 3.15Å; Q335-E339 PolarHBondContact O-N 2.88Å; Q335-E339 VanDerWaalsContact O-N 3.11Å
336I86.5Confident73.1Confident68 Ų6878.8 Ų78.835%0.34940%0.403SS..Hα-helixtrans-58.3-46.2-179.7-66.7164.6000111.2I299 L332 K333 K338 E339 C340I299-I336 HydrophobicContact CD1-CD1 3.94Å; I299-I336 HydrophobicContact CG1-CD1 3.55Å; L332-I336 PolarHBondContact O-N 2.84Å; L332-I336 VanDerWaalsContact O-N 3.07Å; K333-I336 PolarHBondContact O-N 3.32Å; I336-K338 VanDerWaalsContact C-N 3.34Å; I336-K338 PolarHBondContact O-N 3.32Å; I336-E339 PolarHBondContact O-N 3.19Å; I336-E339 VanDerWaalsContact O-N 3.11Å; I336-C340 PolarHBondContact O-N 2.78Å; I336-C340 PolarHBondContact O-SG 3.48Å; I336-C340 VanDerWaalsContact O-SG 3.41Å
337L83.3Confident70Confident93 Ų9389.1 Ų89.149%0.48744%0.442SS..Hα-helixtrans-58.5-43.8177.4-68.3169.9000112.2K333 Q335 E339 C340 D341K333-L337 HydrophobicContact CG-CD1 4.26Å; K333-L337 WeakPolarHBondContact O-CG 3.31Å; K333-L337 PolarHBondContact O-N 3.45Å; K333-L337 VanDerWaalsContact O-N 3.17Å; Q335-L337 VanDerWaalsContact C-N 3.35Å; Q335-L337 PolarHBondContact O-N 3.07Å; L337-E339 VanDerWaalsContact C-N 3.26Å; L337-E339 PolarHBondContact O-N 3.17Å; L337-C340 PolarHBondContact O-N 2.92Å; L337-D341 PolarHBondContact O-N 3.18Å
338K79.2Confident67Low90 Ų9095.6 Ų95.639%0.39148%0.484SS..Hα-helixtrans-66.2-23.8177.1-79-176.6174.1-174.90114.3E105 K334 Q335 I336E105-K338 IonicContact OE1-NZ 2.73Å; E105-K338 PolarHBondContact OE1-NZ 2.87Å; K334-K338 WeakPolarHBondContact O-CG 3.11Å; K334-K338 PolarHBondContact O-N 3.38Å; Q335-K338 PolarHBondContact O-N 3.19Å; Q335-K338 VanDerWaalsContact O-N 3.15Å; I336-K338 VanDerWaalsContact C-N 3.34Å; I336-K338 PolarHBondContact O-N 3.32Å
339E75.1Confident64.1Low147 Ų147101.4 Ų101.469%0.68752%0.519SS*.Hα-helixtrans-81-38.6174.9-72177.8-176.600111.2Q335 I336 L337 D341 R342Q335-E339 PolarHBondContact O-N 2.88Å; Q335-E339 VanDerWaalsContact O-N 3.11Å; I336-E339 PolarHBondContact O-N 3.19Å; I336-E339 VanDerWaalsContact O-N 3.11Å; L337-E339 VanDerWaalsContact C-N 3.26Å; L337-E339 PolarHBondContact O-N 3.17Å; E339-D341 VanDerWaalsContact C-N 3.33Å; E339-D341 PolarHBondContact O-N 3.38Å; E339-R342 PolarHBondContact O-N 3.19Å
340C61.7Low61.1Low96 Ų96107.4 Ų107.465%0.64955%0.551SS**Hα-helixtrans-60.9-38.3173.7-66.50000113I336 L337 R342I336-C340 PolarHBondContact O-N 2.78Å; I336-C340 PolarHBondContact O-SG 3.48Å; I336-C340 VanDerWaalsContact O-SG 3.41Å; L337-C340 PolarHBondContact O-N 2.92Å; C340-R342 PolarHBondContact O-N 3.17Å; C340-R342 VanDerWaalsContact O-N 3.14Å
341D56.5Low58.3Low132 Ų132112.7 Ų112.771%0.70659%0.585SS**THydrogen-bonded Turntrans-69.9-3.7178.4-68.8-28.2000114.2L337 E339 P343L337-D341 PolarHBondContact O-N 3.18Å; E339-D341 VanDerWaalsContact C-N 3.33Å; E339-D341 PolarHBondContact O-N 3.38Å; D341-P343 VanDerWaalsContact O-CD 3.28Å; D341-P343 WeakPolarHBondContact O-CD 3.36Å
342R40.9Very low55.5Low195 Ų195117.2 Ų117.274%0.73662%0.617SS**  trans-114.186178.5-69.1-172.3179.9-172.43111.8E339 C340 T344E339-R342 PolarHBondContact O-N 3.19Å; C340-R342 PolarHBondContact O-N 3.17Å; C340-R342 VanDerWaalsContact O-N 3.14Å; R342-T344 VanDerWaalsContact C-N 3.32Å; R342-T344 PolarHBondContact O-N 3.49Å
343P30.2Very low52.8Low124 Ų124121.8 Ų121.881%0.80565%0.646SS**  trans-70.188.9170.729.8-34000109.9D341D341-P343 VanDerWaalsContact O-CD 3.28Å; D341-P343 WeakPolarHBondContact O-CD 3.36Å
344T37.3Very low50.1Low120 Ų120124.4 Ų124.474%0.73667%0.667SS**  trans-133.287.5173.2-51.40000110.5R342 A346R342-T344 VanDerWaalsContact C-N 3.32Å; R342-T344 PolarHBondContact O-N 3.49Å; T344-A346 PolarHBondContact O-N 3.25Å; T344-A346 VanDerWaalsContact O-N 3.12Å
345R29.7Very low47.5Very low252 Ų252126.9 Ų126.995%0.95169%0.689SS**  trans16.180.4160.8-140.7179.2-166.8-170.53.7115.2R347R345-R347 PolarHBondContact O-N 3.46Å; R345-R347 VanDerWaalsContact O-N 3.17Å
346A30.5Very low44.9Very low100 Ų100128.5 Ų128.583%0.82670%0.696SS**PPolyproline II helixtrans-61.7117.4175.500000110.9T344T344-A346 PolarHBondContact O-N 3.25Å; T344-A346 VanDerWaalsContact O-N 3.12Å
347R28.9Very low42.5Very low222 Ų222131.2 Ų131.284%0.83872%0.718SS**PPolyproline II helixtrans-67.7140.7158.2-125.5177.6177.1-178.6-1.7107.1R345 V349R345-R347 PolarHBondContact O-N 3.46Å; R345-R347 VanDerWaalsContact O-N 3.17Å; R347-V349 PolarHBondContact O-N 2.77Å; R347-V349 VanDerWaalsContact O-N 3.12Å
348P31.3Very low40.2Very low135 Ų135131.9 Ų131.988%0.87773%0.73SS**PPolyproline II helixtrans-62.4118.8179.925-33.4000110.1
349V33.6Very low38Very low124 Ų124135.5 Ų135.575%0.75275%0.753SS**PPolyproline II helixtrans-94.7130.2173.7179.70000108.1R347R347-V349 PolarHBondContact O-N 2.77Å; R347-V349 VanDerWaalsContact O-N 3.12Å
350N33.5Very low36.3Very low129 Ų129134.2 Ų134.269%0.6976%0.755SS**PPolyproline II helixtrans-57.1137.4179.2-98.1-25.7000111.4S352N350-S352 PolarHBondContact O-N 3.25Å
351P33Very low34.8Very low138 Ų138136.6 Ų136.690%0.89676%0.761SS**THydrogen-bonded Turntrans-77.339.2-175.133.5-37.7000113.8
352S34.6Very low33.6Very low99 Ų99137 Ų13769%0.69277%0.768SS**THydrogen-bonded Turntrans-129.87.7-175.557.30000114.8N350N350-S352 PolarHBondContact O-N 3.25Å
353V36.5Very low33.1Very low122 Ų122131.7 Ų131.774%0.73977%0.766SS**  trans-118104.4178-174.20000110.1
354T35.9Very low33.2Very low109 Ų109131.7 Ų131.767%0.66976%0.764SS**  trans-76.7142.9172.644.80000110.9F356T354-F356 PolarHBondContact O-N 3.12Å
355P31.6Very low32.7Very low115 Ų115131.7 Ų131.775%0.74777%0.765SS**SBendtrans-8348.9-176.735.7-37.4000112.4
356F34.2Very low32.8Very low88 Ų88126 Ų12639%0.38676%0.761SS.*SBendtrans-139.6128.8176.5-70.2-61.8000112.1L49 I306 T354 S358L49-F356 WeakPolarHBondContact O-CE1 3.35Å; L49-F356 WeakPolarHBondContact O-CZ 3.21Å; I306-F356 HydrophobicContact CD1-CD2 4.48Å; I306-F356 HydrophobicContact CD1-CE1 4.44Å; I306-F356 HydrophobicContact CD1-CE2 3.56Å; I306-F356 HydrophobicContact CD1-CZ 3.55Å; I306-F356 HydrophobicContact CG1-CE2 4.2Å; T354-F356 PolarHBondContact O-N 3.12Å; F356-S358 PolarHBondContact O-N 2.98Å
357P35.2Very low32.8Very low126 Ų126129.3 Ų129.382%0.81876%0.764SS**  trans-69.6121.3165.929.6-31000108.7L359P357-L359 PolarHBondContact O-N 2.98Å
358S35Very low32.7Very low107 Ų107122.2 Ų122.275%0.74876%0.76SS**  trans-64.5131.5175.145.30000110.5F356 V360F356-S358 PolarHBondContact O-N 2.98Å; S358-V360 PolarHBondContact O-N 3.33Å
359L32.9Very low32.8Very low165 Ų165124.4 Ų124.486%0.86476%0.764SS**  trans-92.597178.5-161.3158.6000108.2P357P357-L359 PolarHBondContact O-N 2.98Å
360V40Very low32.5Very low120 Ų120129.5 Ų129.573%0.72777%0.77SS**  trans-129.9128.1173.2-160.30000108.5S358S358-V360 PolarHBondContact O-N 3.33Å
361D29.4Very low32.5Very low147 Ų147135.7 Ų135.779%0.78678%0.783SS**  trans-65.6130.9-178.4-69.1-63.2000112.1
362T32Very low32.4Very low139 Ų139138.1 Ų138.185%0.85378%0.775SS**  trans-152.6123.5142.8-28.80000110.7
363A29Very low32.4Very low84 Ų84139.7 Ų139.769%0.69477%0.771SS**  trans-76171.2168.300000111.2
364T33.2Very low32.3Very low124 Ų124139.9 Ų139.976%0.76177%0.768SS**  trans95.698.2167.2-39.50000116.1
365T27.5Very low32.1Very low121 Ų121141.9 Ų141.974%0.74277%0.77SS**  43.3113.1128.6-36.50000119.5
366C31.4Very low32.3Very low131 Ų131142 Ų14289%0.88577%0.77SS**  -163.8162122.5-117.10000114.1
367L29.4Very low32.1Very low170 Ų170142 Ų14289%0.8978%0.778SS**  trans-92.1143.7-166.6-74.4137.8000113.9
368G27.4Very low31.9Very low73 Ų73142.4 Ų142.475%0.75378%0.782SS**  trans80.3123.7130.800000119.5
369L33.8Very low31.6Very low181 Ų181142.1 Ų142.195%0.94878%0.778SS**  trans-144.3115.6141.5-96.6177.4000109.3
370R27.1Very low31.6Very low232 Ų232146.5 Ų146.588%0.87578%0.783SS**  trans-80.7152.6169.5-87.6-174.6165.7-163.5-4110
371R32.9Very low31.2Very low258 Ų258144.9 Ų144.997%0.97478%0.777SS**  trans-127.8151.6142.1-133.4172.1-174.5159.62.1109.4
372R31.4Very low31.2Very low189 Ų189143.6 Ų143.671%0.71378%0.779SS**  trans-117.9145.8-154.9-157.8-161.8-176.8-16014.8107.8
373E33.8Very low31.4Very low132 Ų132141.9 Ų141.962%0.61778%0.78SS**  154149.3102.9-81.6-151.8174.800106.1
374N35Very low31.4Very low127 Ų127145.7 Ų145.768%0.67979%0.788SS**  cis-150-177.5-2.3-95.5-23.4000110.7
375E31.4Very low31.4Very low151 Ų151152 Ų15271%0.70680%0.798SS**  trans-120.8-178.8171-134.9-151.2130.500108.9T377E375-T377 WeakPolarHBondContact OE1-CA 3.39Å; E375-T377 PolarHBondContact OE1-N 2.93Å; E375-T377 PolarHBondContact OE1-OG1 3.18Å
376P35.9Very low31.5Very low116 Ų116154.5 Ų154.575%0.75380%0.802SS**  cis-143.5142.845.730.8-5.8000119.8
377T29.9Very low31.5Very low90 Ų90154.3 Ų154.355%0.55280%0.796SS**  58.8122.5121.8-41.80000122.3E375E375-T377 WeakPolarHBondContact OE1-CA 3.39Å; E375-T377 PolarHBondContact OE1-N 2.93Å; E375-T377 PolarHBondContact OE1-OG1 3.18Å
378C30.5Very low31.6Very low133 Ų133151.6 Ų151.690%0.89979%0.791SS**  -166.5125.5126.9-120.30000112.6
379P30.6Very low31.8Very low102 Ų102154.6 Ų154.666%0.66279%0.794SS**  trans-112.1150.8-179.838.6-30.4000114.2
380W33Very low31.6Very low256 Ų256152.3 Ų152.397%0.9779%0.792SS**  trans-157.9172.6146.5-124.2-47.7000113.4
381S30.4Very low31.8Very low87 Ų87144.8 Ų144.861%0.60879%0.787SS**  trans-100.7152.7-145.255.80000116.9
382S28.7Very low31.8Very low119 Ų119142.1 Ų142.183%0.83278%0.782SS**  30.6121.7129.7-48.20000121
383A36.6Very low31.9Very low104 Ų104138.3 Ų138.386%0.8678%0.784SS**  trans-154.3128.4137.400000112.1
384N30.2Very low31.8Very low164 Ų164138.3 Ų138.388%0.87779%0.794SS**  trans-73.6144.7166.5-85.3-34.3000110.8
385R32.2Very low31.7Very low256 Ų256138 Ų13897%0.96680%0.801SS**  trans-164.6166.5130.5-110.3170.9-165.1-130.32.9113.2
386Q30.6Very low31.9Very low174 Ų174139.4 Ų139.481%0.81381%0.805SS**  trans-142.1158.3-152.6-163.8-170-3.700109.3
387V30.7Very low31.7Very low127 Ų127142.6 Ų142.677%0.7781%0.807SS**  trans71.8127167.7-159.80000114.1
388S32.6Very low31.8Very low113 Ų113148.9 Ų148.979%0.7982%0.821SS**  -166.3-167.466.471.20000114.3
389V31.3Very low31.9Very low135 Ų135149.6 Ų149.682%0.81882%0.816SS**  trans-132.9158.4-158.9174.80000111.4
390C27.9Very low32.1Very low133 Ų133156.8 Ų156.890%0.89983%0.83SS**  trans104.9147.3153-1500000118.2
391G33.3Very low31.9Very low74 Ų74155.7 Ų155.776%0.76383%0.825SS**  trans147.399.6170.600000114.5
392K31.4Very low32.1Very low203 Ų203158.7 Ų158.788%0.88384%0.84SS**  trans-110.6139.5172.8-64.1171178.4170.90110.5
393S33.9Very low32.3Very low108 Ų108157 Ų15776%0.75583%0.828SS**  trans167.4108.6146.350.30000110.7
394T30.8Very low32Very low132 Ų132163.5 Ų163.581%0.8183%0.83SS**  66.2102.480.561.60000117.6
395S34.8Very low32.2Very low121 Ų121160.5 Ų160.585%0.84682%0.82SS**  trans163.9164.4131.7-79.80000111.8
396K33.8Very low32Very low180 Ų180153.7 Ų153.778%0.78381%0.811SS**  cis172.2123.1-36.2-149.3177.5-169.8173.90106.4
397K32.1Very low32Very low183 Ų183152.1 Ų152.180%0.79681%0.813SS**  trans65.7161.9168.7-67.1179.5173.4-179.10115.9
398R33.3Very low32Very low223 Ų223154.1 Ų154.184%0.84282%0.819SS**  cis-155.3159.415.9-148.7171.6-173.3175.30.3112.4
399D32.4Very low31.9Very low148 Ų148152.3 Ų152.379%0.79182%0.818SS**  trans-66.6156.8173.9-51.3-96.7000115.5
400R34.6Very low31.7Very low253 Ų253157.6 Ų157.696%0.95582%0.823SS**  -163.8152.6123.1-110.6171.5-179.8177.4-1.6113.8
401R27.5Very low31.9Very low233 Ų233157.4 Ų157.488%0.87982%0.82SS**  trans-96.1150.8179.5-49.2173.4-170.9-161.20.8110.9
402V35.7Very low31.8Very low150 Ų150165 Ų16591%0.90983%0.825SS**  trans-140.7166.3146.4-173.70000107.9
403S31.7Very low31.8Very low83 Ų83164.5 Ų164.558%0.5883%0.826SS**  trans-140.6154.8-146.8-21.80000113.8
404W30.6Very low31.6Very low240 Ų240165.8 Ų165.891%0.90983%0.83SS**  trans81162152.6-6522.7000118.8
405P34.3Very low31.5Very low102 Ų102163.9 Ų163.966%0.66283%0.827SS**  cis-137.3170.3-40.437.7-21.8000115.2
406S28.3Very low31.4Very low112 Ų112164 Ų16478%0.78383%0.825SS**  trans21.2126.4149.1-50.10000122.5
407V31.8Very low31.1Very low141 Ų141161.9 Ų161.986%0.85583%0.827SS**  -174160119.7144.70000110.6
408L29.1Very low31.1Very low170 Ų170161.8 Ų161.889%0.8983%0.832SS**  trans-64.2141.1-165.5-69.371.2000115.4
409G30.4Very low30.8Very low74 Ų74156.6 Ų156.676%0.76382%0.821SS**  trans-166126.2165.400000112.5
410R28.3Very low30.6Very low247 Ų247158.8 Ų158.893%0.93283%0.826SS**  trans-63.9136.6-175-61.4175.5177.3-164.8-0.8112.5R412R410-R412 PolarHBondContact O-N 3.39Å
411P32Very low30.3Very low128 Ų128151.5 Ų151.583%0.83181%0.81SS**  trans-79.7113.4168.731.1-31.1000111
412R31.7Very low30.2Very low233 Ų233152.1 Ų152.188%0.87981%0.812SS**  trans-74.8152.8157.8-86.6-174.4169.2-170.6-2.2109.5R410 T414R410-R412 PolarHBondContact O-N 3.39Å; R412-T414 PolarHBondContact O-N 3.09Å
413H29.7Very low29.8Very low193 Ų193151.3 Ų151.389%0.89481%0.808SS**  trans-61.4123.8177.5-69.8-97.9000112.3
414T31.1Very low29.4Very low136 Ų136158.2 Ų158.283%0.83482%0.821SS**  trans-140.4117.3157.513.10000108.6R412R412-T414 PolarHBondContact O-N 3.09Å
415A27.2Very low29.2Very low92 Ų92152.3 Ų152.376%0.7681%0.812SS**  trans-76.6130.517600000109.6T417A415-T417 PolarHBondContact O-N 2.97Å
416P33.4Very low29.2Very low124 Ų124157.5 Ų157.581%0.80582%0.818SS**  trans-77.8103.917230.4-31.2000109.6M418P416-M418 PolarHBondContact O-N 3.28Å
417T27.7Very low30.1Very low134 Ų134157.6 Ų157.682%0.82282%0.818SS**  trans-62.2118152.1360000108.3A415A415-T417 PolarHBondContact O-N 2.97Å
418M32.7Very low31.3Very low181 Ų181153.1 Ų153.189%0.89279%0.791SS**  trans-172.6113.5152.5-101.3-60.4162.300110.9P416P416-M418 PolarHBondContact O-N 3.28Å
419D25.5Very low32.7Very low114 Ų114147.4 Ų147.461%0.6177%0.765SS**  123.9122123.6-159.122.1000117.1T421D419-T421 PolarHBondContact O-N 2.72Å; D419-T421 VanDerWaalsContact OD2-CG2 3.25Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.42Å; D419-T421 PolarHBondContact OD2-OG1 2.84Å
420H29.2Very low34.2Very low195 Ų195147.6 Ų147.690%0.90375%0.753SS**  trans-95.549.5-174.8-82.6-67000112R422H420-R422 PolarHBondContact O-N 3.13Å
421T28.5Very low35.6Very low99 Ų99136.5 Ų136.561%0.60771%0.712SS**  trans-95.469.6-176.436.70000114.1D419 T423D419-T421 PolarHBondContact O-N 2.72Å; D419-T421 VanDerWaalsContact OD2-CG2 3.25Å; D419-T421 WeakPolarHBondContact OD2-CG2 3.42Å; D419-T421 PolarHBondContact OD2-OG1 2.84Å; T421-T423 PolarHBondContact O-N 3.33Å
422R25.5Very low36.6Very low246 Ų246134.2 Ų134.293%0.92870%0.699SS**  trans43.244.8144.9-148.1176.9-167.1175.44.8117.8H420 R424H420-R422 PolarHBondContact O-N 3.13Å; R422-R424 PolarHBondContact O-N 3.09Å
423T26.2Very low36.8Very low134 Ų134126.1 Ų126.182%0.82268%0.677SS**  trans-69.794.7176.4-30.20000111.4T421 T425T421-T423 PolarHBondContact O-N 3.33Å; T423-T425 PolarHBondContact O-N 3.42Å
424R24.9Very low36.8Very low228 Ų228125 Ų12586%0.8668%0.675SS**  trans-51.7111.2173.2-167-179.5-167.7-179.94.4109.1R422 R426R422-R424 PolarHBondContact O-N 3.09Å; R424-R426 PolarHBondContact O-N 2.83Å
425T26.2Very low36.7Very low116 Ų116127 Ų12771%0.71267%0.672SS**  trans-59.796.7177.620.30000109.5T423 S427T423-T425 PolarHBondContact O-N 3.42Å; T425-S427 PolarHBondContact O-N 3.47Å
426R33.1Very low36.8Very low211 Ų211126 Ų12680%0.79666%0.659SS**PPolyproline II helixtrans-66.3116.5168.5-6717981.8175.54.9106.4R424 V428R424-R426 PolarHBondContact O-N 2.83Å; R426-V428 PolarHBondContact O-N 3.45Å
427S47.9Very low36.5Very low113 Ų113125.4 Ų125.479%0.7965%0.653SS**PPolyproline II helixtrans-53137.7165.639.70000109T425T425-S427 PolarHBondContact O-N 3.47Å
428V57.1Low36.5Very low47 Ų47125.5 Ų125.529%0.28565%0.653SS.*PPolyproline II helixtrans-61.6130.3178.6-167.80000107.9T184 P186 F187 R426 C430T184-V428 HydrophobicContact CG2-CB 3.88Å; T184-V428 HydrophobicContact CG2-CG1 3.36Å; P186-V428 HydrophobicContact CG-CG1 3.71Å; F187-V428 HydrophobicContact CE2-CG1 4.48Å; R426-V428 PolarHBondContact O-N 3.45Å; V428-C430 PolarHBondContact O-N 2.92Å
429P58.6Low36Very low51 Ų51123.8 Ų123.833%0.33164%0.643SS.*PPolyproline II helixtrans-66.3120.4-175.124.6-33.2000110.9Y185 I227Y185-P429 HydrophobicContact CD2-CB 4.02Å; Y185-P429 HydrophobicContact CD2-CG 4.42Å; Y185-P429 WeakPolarHBondContact CD2-O 3.44Å; Y185-P429 PolarHBondContact N-O 3.11Å; I227-P429 HydrophobicContact CD1-CB 4.16Å; I227-P429 HydrophobicContact CG1-CB 4.49Å
430C61.7Low36Very low77 Ų77124.4 Ų124.452%0.5265%0.653SS.*EExtended strand (participates in β ladder)trans-81.3139.5175.1-56.40000111.2G183 V428 C432G183-C430 CarbonylContact O-C 3.6Å; V428-C430 PolarHBondContact O-N 2.92Å; C430-C432 PolarHBondContact O-N 3.22Å
431I57.8Low36.2Very low14 Ų14121.3 Ų121.37%0.07264%0.643CS.*EExtended strand (participates in β ladder)trans-80.492.5159-48.9-175.1000106.8F181 C182 G183 Y185 S188 L193F181-I431 HydrophobicContact CB-CG2 4.3Å; C182-I431 CarbonylContact C-O 3.46Å; C182-I431 VanDerWaalsContact CA-O 3.23Å; C182-I431 WeakPolarHBondContact CA-O 3.35Å; G183-I431 PolarHBondContact N-O 3.43Å; G183-I431 VanDerWaalsContact N-O 3.09Å; G183-I431 WeakPolarHBondContact O-CA 3.15Å; G183-I431 PolarHBondContact O-N 3.17Å; Y185-I431 HydrophobicContact CD1-CD1 3.74Å; Y185-I431 HydrophobicContact CD1-CG1 3.66Å; Y185-I431 HydrophobicContact CD2-CG1 3.54Å; Y185-I431 HydrophobicContact CE1-CD1 3.94Å; Y185-I431 HydrophobicContact CE1-CG1 3.78Å; Y185-I431 HydrophobicContact CE2-CB 4.39Å; Y185-I431 HydrophobicContact CE2-CG1 3.67Å; Y185-I431 HydrophobicContact CG-CD1 4.05Å; Y185-I431 HydrophobicContact CG-CG1 3.54Å; S188-I431 WeakPolarHBondContact OG-CD1 3.24Å; L193-I431 HydrophobicContact CD2-CD1 3.58Å
432C51.9Low36.2Very low81 Ų81122.2 Ų122.255%0.54765%0.653SS.*EExtended strand (participates in β ladder)trans-127.1112.9155.5-840000106.6C430 M434C430-C432 PolarHBondContact O-N 3.22Å; C432-M434 PolarHBondContact O-N 2.75Å
433S36.3Very low36.7Very low62 Ų62115.5 Ų115.543%0.43465%0.645SS.*  trans-64.2125.3168.967.30000108.6F435S433-F435 PolarHBondContact O-N 3.28Å
434M29.7Very low37.2Very low170 Ų170117.8 Ų117.884%0.83765%0.646SS**  trans-72.938.7173.4-69.7-152.7-61.400112.9C432 C436 T437C432-M434 PolarHBondContact O-N 2.75Å; M434-C436 PolarHBondContact O-N 2.85Å; M434-T437 PolarHBondContact O-OG1 2.8Å
435F29.5Very low37.5Very low178 Ų178115.2 Ų115.278%0.78164%0.644SS**THydrogen-bonded Turntrans-85.360.8168-67.4-63000110.6S433S433-F435 PolarHBondContact O-N 3.28Å
436C30Very low37.9Very low71 Ų71114.8 Ų114.848%0.4865%0.645SS.*THydrogen-bonded Turntrans-122.717.8157.7-81.90000111.4W65 M434W65-C436 HydrophobicContact CH2-CB 4.38Å; W65-C436 HydrophobicContact CZ2-CB 3.62Å; W65-C436 WeakPolarHBondContact CZ2-SG 3.44Å; M434-C436 PolarHBondContact O-N 2.85Å
437T25.5Very low37.9Very low112 Ų112110.3 Ų110.369%0.68764%0.642SS**  trans-118.980.6167.652.30000109.4M434M434-T437 PolarHBondContact O-OG1 2.8Å
438V27.7Very low37.3Very low136 Ų136114.2 Ų114.282%0.82465%0.647SS**  trans-87.5112.3151.3178.20000105.1P440V438-P440 WeakPolarHBondContact O-CD 3.33Å
439Q24Very low36.3Very low144 Ų144115 Ų11567%0.67367%0.665SS**  trans-70.6129.7171.7-77.7-171.7-2900109.2N441Q439-N441 PolarHBondContact O-N 3.16Å; Q439-N441 PolarHBondContact OE1-ND2 3.06Å
440P24.9Very low35.3Very low127 Ų127121.2 Ų121.283%0.82569%0.689SS**  trans-87.781.815834.2-26.2000107.8V438V438-P440 WeakPolarHBondContact O-CD 3.33Å
441N32.5Very low34.1Very low131 Ų131123.6 Ų123.670%0.70170%0.701SS**  trans-88.5124.8168.9-84.315000109.5Q439Q439-N441 PolarHBondContact O-N 3.16Å; Q439-N441 PolarHBondContact OE1-ND2 3.06Å
442S30.1Very low33Very low117 Ų117134.3 Ų134.382%0.81874%0.741SS**  trans-89.2130.5-178.248.70000112.6
443S34.8Very low32.3Very low106 Ų106134.4 Ų134.474%0.74175%0.748SS**  trans-171.7124.3147.935.20000105.6
444E36.2Very low32.3Very low182 Ų182137.3 Ų137.385%0.8577%0.768SS**  52.6122.466.9-66.3179.2178.600110.8
445E33Very low32.6Very low174 Ų174133.5 Ų133.581%0.81376%0.763SS**  cis-163.5-176.7-1.5-154.8178-18000108.1
446S32.7Very low32.8Very low107 Ų107129.8 Ų129.875%0.74877%0.766SS**  trans69.6149.8165.683.30000118
447T34.5Very low32.9Very low117 Ų117134 Ų13472%0.71878%0.783SS**  cis-168.7154.1-44.30.10000108.2
448Q35.4Very low33.1Very low195 Ų195137.8 Ų137.891%0.91179%0.79SS**  trans77.9143.6154.5-67.3170.14.900122.5
449G35Very low33.2Very low63 Ų63137 Ų13765%0.64979%0.788SS**  trans106.686.5170.700000115.5
450H38.5Very low33.6Very low182 Ų182137 Ų13784%0.84380%0.798SS**  48.9128.491.5-61.7-74.3000114.6
451T36.3Very low33.7Very low127 Ų127142.6 Ų142.678%0.77980%0.802SS**  cis-161.716419.3-18.20000114.2
452R35.2Very low33.6Very low239 Ų239141.9 Ų141.990%0.90281%0.807SS**  trans-21.4161.2160.5-82.8176.4165.3166.5-6.5119.7
453A37.3Very low33.6Very low83 Ų83147.5 Ų147.569%0.68681%0.811SS**  cis-171.5172.2-0.900000113.7
454S35.8Very low33.3Very low123 Ų123146.1 Ų146.186%0.8681%0.813SS**  trans68.1143.8159.1-79.40000120
455A36.2Very low33Very low90 Ų90147.4 Ų147.474%0.74481%0.81SS**  cis-159.3156.1-10.300000112.7
456A33.5Very low33.1Very low100 Ų100144.5 Ų144.583%0.82681%0.806SS**  trans5699.2153.900000121.4
457D32.9Very low33.2Very low158 Ų158151.4 Ų151.485%0.84582%0.816SS**  -149.2157.9119-144-18.1000112
458K28.4Very low33.3Very low193 Ų193148.4 Ų148.484%0.83981%0.808SS**PPolyproline II helixtrans-93.6128.4-160.7-64.3169.4-177.7166.60114.6
459P31Very low33.9Very low120 Ų120143.7 Ų143.778%0.77979%0.788SS**PPolyproline II helixtrans-91.9125.5166.833.2-30.5000112.7
460V31.4Very low34.3Very low144 Ų144149.6 Ų149.687%0.87380%0.796SS**PPolyproline II helixtrans-74.2130.6173.2174.70000110.8S462V460-S462 PolarHBondContact O-N 3.24Å
461R26.9Very low34.4Very low243 Ų243142.4 Ų142.492%0.91777%0.771SS**  trans-68.5108179.9-70.7177170.7176.9-3.7112.4
462S30.6Very low34.5Very low116 Ų116139 Ų13981%0.81174%0.744SS**PPolyproline II helixtrans-86.3127.9159.861.80000110.3V460V460-S462 PolarHBondContact O-N 3.24Å
463R31Very low35Very low236 Ų236131.4 Ų131.489%0.89172%0.724SS**PPolyproline II helixtrans-73.3129.6-177.6-58.6-179-167.5-167.23.1110.1
464G28.6Very low35.5Very low76 Ų76136 Ų13678%0.78472%0.724SS**PPolyproline II helixtrans-63144.2176.900000113.1
465W29Very low35.8Very low209 Ų209134.1 Ų134.179%0.79270%0.702SS**PPolyproline II helixtrans-94.2142.4174.4-88.323.4000111.9M475W465-M475 HydrophobicContact CD2-CE 4.49Å; W465-M475 HydrophobicContact CE3-CE 3.99Å; W465-M475 HydrophobicContact CH2-CE 4.25Å; W465-M475 HydrophobicContact CH2-SD 4.05Å; W465-M475 HydrophobicContact CZ3-CE 3.86Å; W465-M475 HydrophobicContact CZ3-SD 4.02Å
466P35.8Very low36.5Very low113 Ų113133 Ų13373%0.73468%0.683SS**PPolyproline II helixtrans-68.9141.7-177.2-1932.6000113.5
467R33.6Very low37Very low252 Ų252129.3 Ų129.395%0.95166%0.655SS**PPolyproline II helixtrans-76.4138.2179.9-52.8178.5-166.4179.84.4111.5
468G37Very low37.7Very low54 Ų54124.8 Ų124.856%0.55763%0.631SS**SBendtrans108.2154.3157.800000117.3K470 G471G468-K470 VanDerWaalsContact C-N 3.26Å; G468-K470 PolarHBondContact O-N 3.32Å; G468-K470 VanDerWaalsContact O-N 3.16Å; G468-G471 WeakPolarHBondContact O-CA 3.44Å; G468-G471 PolarHBondContact O-N 3.21Å
469I48Very low38.5Very low96 Ų96118.2 Ų118.249%0.49261%0.612SS.*Hα-helixtrans-55.5-34.5-172.8-63165.9000113G471 W472 T473I469-G471 PolarHBondContact O-N 2.97Å; I469-W472 PolarHBondContact O-N 3.19Å; I469-T473 PolarHBondContact O-N 2.92Å; I469-T473 PolarHBondContact O-OG1 2.73Å
470K43.3Very low39.2Very low188 Ų188115.8 Ų115.882%0.81759%0.591SS**Hα-helixtrans-62.4-29.3174.3-71.7-173.6176.1-1770113.3G468 T473 R474G468-K470 VanDerWaalsContact C-N 3.26Å; G468-K470 PolarHBondContact O-N 3.32Å; G468-K470 VanDerWaalsContact O-N 3.16Å; K470-T473 PolarHBondContact O-OG1 2.93Å; K470-R474 WeakPolarHBondContact O-CB 3.42Å; K470-R474 PolarHBondContact O-N 3.28Å
471G39.8Very low40.1Very low30 Ų30116.5 Ų116.531%0.30958%0.578SS.*Hα-helixtrans-70.6-35.3171.800000111.9G468 I469 M475G468-G471 WeakPolarHBondContact O-CA 3.44Å; G468-G471 PolarHBondContact O-N 3.21Å; I469-G471 PolarHBondContact O-N 2.97Å; G471-M475 WeakPolarHBondContact O-CB 3.49Å; G471-M475 PolarHBondContact O-N 2.76Å
472W39.6Very low41.1Very low57 Ų57113.8 Ų113.822%0.21657%0.573CS.*Hα-helixtrans-75-43.5-179.9-167.962.7000112.7M70 I469 R474 M475 I476M70-W472 VanDerWaalsContact CE-CD1 3.49Å; M70-W472 HydrophobicContact CE-CD2 3.75Å; M70-W472 VanDerWaalsContact CE-CE2 3.44Å; M70-W472 HydrophobicContact CE-CG 3.77Å; M70-W472 HydrophobicContact CE-CZ2 4.03Å; M70-W472 VanDerWaalsContact CE-NE1 3.3Å; M70-W472 HydrophobicContact CG-CZ2 4.44Å; I469-W472 PolarHBondContact O-N 3.19Å; W472-R474 VanDerWaalsContact C-N 3.26Å; W472-R474 PolarHBondContact O-N 3.21Å; W472-M475 CarbonylContact O-C 3.59Å; W472-M475 WeakPolarHBondContact O-CA 3.19Å; W472-M475 WeakPolarHBondContact O-CB 3.19Å; W472-M475 PolarHBondContact O-N 2.87Å; W472-I476 HydrophobicContact CD2-CD1 3.67Å; W472-I476 HydrophobicContact CD2-CG1 4.37Å; W472-I476 HydrophobicContact CE3-CD1 3.72Å; W472-I476 HydrophobicContact CG-CD1 4.4Å; W472-I476 HydrophobicContact CH2-CD1 3.8Å; W472-I476 HydrophobicContact CZ2-CD1 3.74Å; W472-I476 HydrophobicContact CZ3-CD1 3.79Å; W472-I476 WeakPolarHBondContact O-CG1 3.45Å; W472-I476 PolarHBondContact O-N 3.25Å
473T46Very low41.8Very low78 Ų78115.2 Ų115.248%0.47957%0.571SS.*Hα-helixtrans-60.3-36.7171.651.30000112.1I469 K470 G477I469-T473 PolarHBondContact O-N 2.92Å; I469-T473 PolarHBondContact O-OG1 2.73Å; K470-T473 PolarHBondContact O-OG1 2.93Å; T473-G477 PolarHBondContact O-N 3.19Å
474R46.8Very low42.2Very low180 Ų180106.9 Ų106.968%0.67955%0.548SS*.Hα-helixtrans-67.8-34171.1-176.1172.9175.4161.5-0.5112.6K470 W472 N478K470-R474 WeakPolarHBondContact O-CB 3.42Å; K470-R474 PolarHBondContact O-N 3.28Å; W472-R474 VanDerWaalsContact C-N 3.26Å; W472-R474 PolarHBondContact O-N 3.21Å; R474-N478 WeakPolarHBondContact O-CB 3.11Å; R474-N478 PolarHBondContact O-N 2.8Å; R474-N478 PolarHBondContact O-OD1 2.84Å
475M43.3Very low42.6Very low83 Ų83109.6 Ų109.641%0.40955%0.554SS.*Hα-helixtrans-73-44178.5-160.5-177.5-58.800111.8W465 G471 W472 N478 A479W465-M475 HydrophobicContact CD2-CE 4.49Å; W465-M475 HydrophobicContact CE3-CE 3.99Å; W465-M475 HydrophobicContact CH2-CE 4.25Å; W465-M475 HydrophobicContact CH2-SD 4.05Å; W465-M475 HydrophobicContact CZ3-CE 3.86Å; W465-M475 HydrophobicContact CZ3-SD 4.02Å; G471-M475 WeakPolarHBondContact O-CB 3.49Å; G471-M475 PolarHBondContact O-N 2.76Å; W472-M475 CarbonylContact O-C 3.59Å; W472-M475 WeakPolarHBondContact O-CA 3.19Å; W472-M475 WeakPolarHBondContact O-CB 3.19Å; W472-M475 PolarHBondContact O-N 2.87Å; M475-N478 CarbonylContact O-C 3.59Å; M475-N478 PolarHBondContact O-N 2.62Å; M475-A479 WeakPolarHBondContact O-CB 3.32Å; M475-A479 PolarHBondContact O-N 2.91Å
476I49.6Very low43Very low66 Ų66104.9 Ų104.934%0.33855%0.552SS.*Hα-helixtrans-58.7-51.4171.4-65.6167.5000109.9W472 N478 A479 M480W472-I476 HydrophobicContact CD2-CD1 3.67Å; W472-I476 HydrophobicContact CD2-CG1 4.37Å; W472-I476 HydrophobicContact CE3-CD1 3.72Å; W472-I476 HydrophobicContact CG-CD1 4.4Å; W472-I476 HydrophobicContact CH2-CD1 3.8Å; W472-I476 HydrophobicContact CZ2-CD1 3.74Å; W472-I476 HydrophobicContact CZ3-CD1 3.79Å; W472-I476 WeakPolarHBondContact O-CG1 3.45Å; W472-I476 PolarHBondContact O-N 3.25Å; I476-N478 PolarHBondContact O-N 2.73Å; I476-A479 PolarHBondContact O-N 3.22Å; I476-A479 VanDerWaalsContact O-N 3.14Å; I476-M480 PolarHBondContact O-N 3.08Å
477G45.3Very low43.1Very low23 Ų23106.2 Ų106.224%0.23755%0.551CS.*Hα-helixtrans-61.5-27.9177.600000113.9T473 R481T473-G477 PolarHBondContact O-N 3.19Å; G477-R481 WeakPolarHBondContact O-CB 3.42Å; G477-R481 WeakPolarHBondContact O-CG 3.35Å; G477-R481 PolarHBondContact O-N 3.04Å; G477-R481 VanDerWaalsContact O-N 3.1Å; G477-R481 PolarHBondContact O-NE 3.17Å
478N47.7Very low43Very low64 Ų6499.2 Ų99.234%0.34254%0.538SS..Hα-helixtrans-85.7-27.3175.2-77.15.1000113.6R474 M475 I476 R481 K482R474-N478 WeakPolarHBondContact O-CB 3.11Å; R474-N478 PolarHBondContact O-N 2.8Å; R474-N478 PolarHBondContact O-OD1 2.84Å; M475-N478 CarbonylContact O-C 3.59Å; M475-N478 PolarHBondContact O-N 2.62Å; I476-N478 PolarHBondContact O-N 2.73Å; N478-R481 PolarHBondContact OD1-NE 3.5Å; N478-R481 PolarHBondContact OD1-NH2 2.83Å; N478-K482 WeakPolarHBondContact O-CG 3.25Å; N478-K482 PolarHBondContact O-N 3.08Å; N478-K482 VanDerWaalsContact O-N 3.11Å
479A44.9Very low42.9Very low55 Ų55101.7 Ų101.746%0.45555%0.547SS..Hα-helixtrans-67.6-44.9169.100000110.1M475 I476 R481 K482 L483M475-A479 WeakPolarHBondContact O-CB 3.32Å; M475-A479 PolarHBondContact O-N 2.91Å; I476-A479 PolarHBondContact O-N 3.22Å; I476-A479 VanDerWaalsContact O-N 3.14Å; A479-R481 PolarHBondContact O-N 3.15Å; A479-K482 PolarHBondContact O-N 3.39Å; A479-K482 VanDerWaalsContact O-N 3.12Å; A479-L483 PolarHBondContact O-N 3.41Å
480M45.8Very low42.4Very low68 Ų68105.8 Ų105.834%0.33556%0.561SS.*Hα-helixtrans-62.7-41.4173.5-71.8-168.3159.200112.3Q319 I476 K482 L483Q319-M480 HydrophobicContact CB-CE 4.41Å; Q319-M480 WeakPolarHBondContact O-CE 3.49Å; I476-M480 PolarHBondContact O-N 3.08Å; M480-K482 VanDerWaalsContact C-N 3.26Å; M480-K482 PolarHBondContact O-N 3.35Å; M480-L483 PolarHBondContact O-N 3.03Å
481R48.8Very low42Very low160 Ų160106.1 Ų106.160%0.60457%0.566SS**Hα-helixtrans-65.9-20.5172.8-84.5-174.2-74.8-111.6-2.4114.9G477 N478 A479G477-R481 WeakPolarHBondContact O-CB 3.42Å; G477-R481 WeakPolarHBondContact O-CG 3.35Å; G477-R481 PolarHBondContact O-N 3.04Å; G477-R481 VanDerWaalsContact O-N 3.1Å; G477-R481 PolarHBondContact O-NE 3.17Å; N478-R481 PolarHBondContact OD1-NE 3.5Å; N478-R481 PolarHBondContact OD1-NH2 2.83Å; A479-R481 PolarHBondContact O-N 3.15Å
482K47.7Very low41.8Very low185 Ų185111 Ų11180%0.80459%0.59SS**THydrogen-bonded Turntrans-86-5.2175.7-81.9-170.2172.1-164.60114.3N478 A479 M480N478-K482 WeakPolarHBondContact O-CG 3.25Å; N478-K482 PolarHBondContact O-N 3.08Å; N478-K482 VanDerWaalsContact O-N 3.11Å; A479-K482 PolarHBondContact O-N 3.39Å; A479-K482 VanDerWaalsContact O-N 3.12Å; M480-K482 VanDerWaalsContact C-N 3.26Å; M480-K482 PolarHBondContact O-N 3.35Å
483L45.9Very low41.5Very low147 Ų147112.9 Ų112.977%0.7761%0.611SS**SBendtrans-106.8-0.5178.9-69.2166.6000113.3A479 M480A479-L483 PolarHBondContact O-N 3.41Å; M480-L483 PolarHBondContact O-N 3.03Å
484C39.6Very low41Very low61 Ų61117 Ų11741%0.41263%0.625SS.*  trans-123.6106172.8-75.80000111.2C486C484-C486 PolarHBondContact O-N 3.38Å
485C36.4Very low40.6Very low132 Ų132116.2 Ų116.289%0.89263%0.633SS**  trans-76.125.2-178.3-56.10000114.8
486C38.5Very low40.1Very low111 Ų111115.8 Ų115.875%0.7565%0.65SS**  trans-130.325-163.7-55.80000115.2C484C484-C486 PolarHBondContact O-N 3.38Å
487I38.3Very low39.5Very low140 Ų140121.7 Ų121.772%0.71868%0.676SS**  trans-130.2100.1175.6-51.3178.5000111.1
488P31.9Very low39.1Very low106 Ų106128.9 Ų128.969%0.68871%0.71SS**  trans-90.9175.6167.736.1-33000112.5
489S34.5Very low38.6Very low105 Ų105137.5 Ų137.573%0.73474%0.737SS**  trans80.8146.1167.892.80000116.3
490K37.6Very low38.7Very low183 Ų183142 Ų14280%0.79676%0.759SS**  cis-135.4147.9-0.3-69.5179.7179.2-179.30110.6
491E33.3Very low38.4Very low195 Ų195143.9 Ų143.991%0.91178%0.779SS**  trans-74.5137.9153.3-71.3-178.8124.400109.4
492T37.6Very low38Very low133 Ų133141.9 Ų141.982%0.81679%0.787SS**  trans-142.9126.4154.236.80000109.2
493S31.3Very low38Very low96 Ų96142.9 Ų142.967%0.67179%0.791SS**  trans-66.1157.7171.546.20000111.9
494H37.3Very low38Very low165 Ų165149.6 Ų149.676%0.76481%0.814SS**  178.1133.9121.2-92.5-65.5000112.5
495L37.2Very low37.9Very low162 Ų162154 Ų15485%0.84883%0.834SS**  trans43.4126.9153.1-77.776.5000120.9
496G33.6Very low38Very low75 Ų75155.2 Ų155.277%0.77383%0.831SS**  trans-179.251.4168.700000116.7
497Q36.7Very low38Very low189 Ų189157.6 Ų157.688%0.88384%0.835SS**  trans39.2118.8157.2-63.7177-20.500120
498N36.8Very low37.9Very low175 Ų175158.6 Ų158.694%0.93684%0.842SS**  trans-147.2135.7135.3-104.6-36.1000111.1
499R36.2Very low38.3Very low244 Ų244161.9 Ų161.992%0.92185%0.852SS**  trans-82.9133.6-179-71.4171.3166.7171.3-6.3110.8
500V48.1Very low38.6Very low149 Ų149165.7 Ų165.790%0.90386%0.86SS**  trans-137.8136.4142.7-175.60000107.6
501S40.1Very low38.7Very low108 Ų108164.5 Ų164.576%0.75586%0.864SS**  trans-77.5154.5-170.3-52.70000113.5
502P38.5Very low39.1Very low119 Ų119162.2 Ų162.277%0.77386%0.861SS**  trans-89.4146.3172.135.4-32.9000112.2
503K47.7Very low39.2Very low205 Ų205164.6 Ų164.689%0.89186%0.864SS**  trans-172.9114147.1-110.7173.1-175.2-177.40111.7
504K46.6Very low39.9Very low288 Ų288170.8 Ų170.8100%1.25288%0.882SS**  trans66.10178.8-67.3-170173.4-173.10116.1

Retrieved 504 of 504 residues in 692.1 ms (Link to these results)

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