A0A5K4FBZ7_SCHMA Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 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
1M37.6Very low35.6Very low236 Ų236160 Ų160100%1.16383%0.828SS**  0106.60-74.2166.8102.800109
2R34.2Very low35.1Very low248 Ų248158.6 Ų158.694%0.93682%0.821SS**  trans-131.492.2164.4-76.4-172.8175.9-178.9-0.6106.5
3C36.2Very low34.7Very low104 Ų104158.5 Ų158.570%0.70382%0.821SS**  trans-82.7117.9170.4-73.40000107.1
4V42.8Very low34.4Very low131 Ų131156.4 Ų156.479%0.79482%0.819SS**  trans-106.6116.4169.6-177.90000106.7M6V4-M6 PolarHBondContact O-N 3.28Å
5S36.6Very low34.3Very low105 Ų105154.9 Ų154.973%0.73481%0.811SS**  trans-74.5117.2169.759.10000108.6F7S5-F7 PolarHBondContact O-N 3.36Å
6M37.9Very low34Very low193 Ų193155.3 Ų155.395%0.95181%0.807SS**  trans-85.195.7179.7-153.2178.5-176.700109V4 L8V4-M6 PolarHBondContact O-N 3.28Å; M6-L8 PolarHBondContact O-N 3.46Å
7F38.3Very low34.1Very low188 Ų188153.4 Ų153.483%0.82580%0.804SS**  trans-75.3115.5160.9-111-87.8000108.3S5 V9S5-F7 PolarHBondContact O-N 3.36Å; F7-V9 PolarHBondContact O-N 3.47Å
8L31.7Very low33.9Very low147 Ų147150.8 Ų150.877%0.7779%0.79SS**  trans-3.2101.4151.2-150.493.2000115.8M6M6-L8 PolarHBondContact O-N 3.46Å
9V32.8Very low34.1Very low137 Ų137148.5 Ų148.583%0.8379%0.785SS**  trans-132.287.8154.7-178.10000107.6F7F7-V9 PolarHBondContact O-N 3.47Å
10I33.6Very low34.4Very low136 Ų136144.5 Ų144.570%0.69777%0.773SS**  trans-89.5105.9161.8-64.1170.8000105.5
11L30.4Very low34.7Very low135 Ų135145.2 Ų145.271%0.70777%0.77SS**SBendtrans170.2126.6136.9-120.661.3000110.6
12L28.7Very low35Very low143 Ų143138.5 Ų138.575%0.74974%0.742SS**  trans71.674.8147.9-64.6150.5000118.2
13L30.8Very low35.9Very low157 Ų157126.7 Ų126.782%0.82270%0.697SS**  trans-138.885.1139.6-92.5166.5000108.6I15L13-I15 PolarHBondContact O-N 3.21Å
14T29.6Very low36.7Very low129 Ų129124.8 Ų124.879%0.79169%0.685SS**  trans-6185.4155.746.60000108.1Q16T14-Q16 VanDerWaalsContact C-N 3.28Å; T14-Q16 PolarHBondContact O-N 2.81Å
15I33.3Very low37.6Very low135 Ų135119 Ų11969%0.69265%0.65SS**  trans-7994.6157.5-62.2176000104.4L13 V17L13-I15 PolarHBondContact O-N 3.21Å; I15-V17 PolarHBondContact O-N 3.32Å
16Q29.7Very low39.1Very low160 Ų160114.2 Ų114.275%0.74862%0.616SS**  trans-46.8114157.7-81.9176.4-45.900106.8T14 I18T14-Q16 VanDerWaalsContact C-N 3.28Å; T14-Q16 PolarHBondContact O-N 2.81Å; Q16-I18 HydrophobicContact CB-CG1 4.27Å; Q16-I18 PolarHBondContact O-N 2.82Å
17V35.9Very low40.8Very low124 Ų124108.1 Ų108.175%0.75259%0.588SS**  trans-65.190.41631790000104.9I15 P19I15-V17 PolarHBondContact O-N 3.32Å; V17-P19 WeakPolarHBondContact O-CD 3.18Å
18I31Very low42.6Very low107 Ų107101 Ų10155%0.54956%0.556SS.*  trans-70.9113.3171.3-61.6168000104.5Q16 A20 K21Q16-I18 HydrophobicContact CB-CG1 4.27Å; Q16-I18 PolarHBondContact O-N 2.82Å; I18-A20 PolarHBondContact O-N 2.91Å; I18-K21 HydrophobicContact CG2-CG 4.33Å
19P37.7Very low44.7Very low107 Ų10797.9 Ų97.970%0.69554%0.538SS*.  trans-56.8139.1174.626.5-31.8000107.3V17 K21V17-P19 WeakPolarHBondContact O-CD 3.18Å; P19-K21 PolarHBondContact O-N 3.26Å; P19-K21 VanDerWaalsContact O-N 3.09Å
20A40Very low46.8Very low67 Ų6793 Ų9355%0.55451%0.506SS*.  trans-16.7107.7-174.900000112.6I18 T22I18-A20 PolarHBondContact O-N 2.91Å; A20-T22 PolarHBondContact O-N 3.45Å
21K40.9Very low48.8Very low161 Ų16191.4 Ų91.470%0.750%0.499SS*.  trans-51.1110.9171.8-99.6-175.8173.1-177.20106.5I18 P19 L23I18-K21 HydrophobicContact CG2-CG 4.33Å; P19-K21 PolarHBondContact O-N 3.26Å; P19-K21 VanDerWaalsContact O-N 3.09Å; K21-L23 PolarHBondContact O-N 2.71Å
22T44.2Very low50.8Low95 Ų9587.2 Ų87.258%0.58349%0.489SS*.  trans-46.9121.7172.145.90000107.8A20 S24A20-T22 PolarHBondContact O-N 3.45Å; T22-S24 PolarHBondContact O-N 3.14Å
23L52Low53Low0 Ų083 Ų830%047%0.471CS..  trans-62.4126.6159.9-125.5126.3000103.4K21 P25 F26 F28 V82 E97 T99K21-L23 PolarHBondContact O-N 2.71Å; L23-P25 CarbonylContact O-C 3.59Å; L23-F26 HydrophobicContact CB-CB 4.11Å; L23-F26 HydrophobicContact CD2-CD2 4.15Å; L23-F26 PolarHBondContact N-O 3Å; L23-F26 CarbonylContact O-C 3.53Å; L23-F26 VanDerWaalsContact O-C 3.24Å; L23-F26 WeakPolarHBondContact O-CA 3.5Å; L23-F26 PolarHBondContact O-N 2.99Å; L23-F28 HydrophobicContact CB-CE2 3.64Å; L23-F28 HydrophobicContact CB-CZ 3.96Å; L23-F28 HydrophobicContact CD1-CE2 3.86Å; L23-F28 HydrophobicContact CD1-CZ 3.43Å; L23-F28 VanDerWaalsContact CD1-CZ 3.43Å; L23-F28 HydrophobicContact CG-CE2 4.38Å; L23-F28 HydrophobicContact CG-CZ 4.33Å; L23-V82 HydrophobicContact CD1-CG2 4.2Å; L23-V82 HydrophobicContact CD2-CB 3.94Å; L23-V82 HydrophobicContact CD2-CG2 3.5Å; L23-V82 VanDerWaalsContact CD2-CG2 3.5Å; L23-E97 HydrophobicContact CD2-CB 3.96Å; L23-E97 HydrophobicContact CD2-CG 3.72Å; L23-E97 VanDerWaalsContact CD2-OE2 3.32Å; L23-E97 WeakPolarHBondContact CD2-OE2 3.35Å; L23-E97 HydrophobicContact CG-CG 4.05Å; L23-E97 WeakPolarHBondContact CG-OE1 3.38Å; L23-T99 HydrophobicContact CD1-CG2 3.92Å; L23-T99 WeakPolarHBondContact CD1-OG1 3.25Å; L23-T99 WeakPolarHBondContact CG-OG1 3.46Å
24S52.7Low55.4Low63 Ų6377.8 Ų77.844%0.44144%0.444SS..SBendtrans-88107.2161.7-164.10000104.7T22 F43T22-S24 PolarHBondContact O-N 3.14Å; S24-F43 WeakPolarHBondContact OG-CE2 3.12Å
25P61.3Low57.7Low10 Ų1071.7 Ų71.77%0.06541%0.407CS..SBendcis-112.29.835.738.4-35.7000117.5L23 R39 N40 F43L23-P25 CarbonylContact O-C 3.59Å; P25-R39 HydrophobicContact CB-CG 4.45Å; P25-R39 CarbonylContact O-C 3.48Å; P25-N40 WeakPolarHBondContact O-CB 3.5Å; P25-N40 PolarHBondContact O-N 2.91Å; P25-F43 HydrophobicContact CB-CB 3.9Å; P25-F43 HydrophobicContact CB-CD2 3.55Å; P25-F43 HydrophobicContact CB-CE2 4.3Å; P25-F43 HydrophobicContact CB-CG 3.95Å; P25-F43 HydrophobicContact CG-CB 4.39Å; P25-F43 HydrophobicContact CG-CD2 4.25Å; P25-F43 HydrophobicContact CG-CG 4.37Å
26F69.2Low60.1Low4 Ų466 Ų662%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-102.9124.6-174.9-61.6-81.8000114.8L23 L37 T38 R39 V53 I69 V82L23-F26 HydrophobicContact CB-CB 4.11Å; L23-F26 HydrophobicContact CD2-CD2 4.15Å; L23-F26 PolarHBondContact N-O 3Å; L23-F26 CarbonylContact O-C 3.53Å; L23-F26 VanDerWaalsContact O-C 3.24Å; L23-F26 WeakPolarHBondContact O-CA 3.5Å; L23-F26 PolarHBondContact O-N 2.99Å; F26-L37 HydrophobicContact CB-CB 4.16Å; F26-L37 HydrophobicContact CB-CD2 4.18Å; F26-L37 HydrophobicContact CB-CG 4.47Å; F26-L37 HydrophobicContact CD1-CB 3.77Å; F26-L37 HydrophobicContact CD1-CD2 4.35Å; F26-L37 HydrophobicContact CD2-CD2 4.48Å; F26-L37 HydrophobicContact CG-CB 4.16Å; F26-L37 HydrophobicContact CG-CD2 4.08Å; F26-T38 CarbonylContact C-O 3.59Å; F26-T38 VanDerWaalsContact CA-O 3.31Å; F26-T38 WeakPolarHBondContact CA-O 3.44Å; F26-R39 HydrophobicContact CD1-CB 4.18Å; F26-R39 HydrophobicContact CE1-CB 3.93Å; F26-R39 HydrophobicContact CE1-CG 4.4Å; F26-V53 HydrophobicContact CZ-CG2 4.45Å; F26-I69 HydrophobicContact CE1-CD1 3.75Å; F26-I69 HydrophobicContact CZ-CD1 3.99Å; F26-V82 HydrophobicContact CD2-CG2 4.13Å; F26-V82 HydrophobicContact CE2-CG1 3.73Å; F26-V82 HydrophobicContact CE2-CG2 4.02Å
27D73.5Confident62.6Low66 Ų6658.4 Ų58.435%0.35334%0.342SS..EExtended strand (participates in β ladder)trans-76.7135.6158.2-77.5-11000109.6L37 T38 N40D27-L37 WeakPolarHBondContact O-CA 3.19Å; D27-T38 PolarHBondContact N-O 2.83Å; D27-T38 PolarHBondContact O-N 3.48Å; D27-N40 VanDerWaalsContact CG-OD1 3.22Å; D27-N40 PolarHBondContact OD1-ND2 3.35Å; D27-N40 PolarHBondContact OD2-ND2 2.75Å; D27-N40 PolarHBondContact OD2-OD1 2.97Å
28F75Confident64.6Low38 Ų3854.5 Ų54.517%0.16732%0.318CS..EExtended strand (participates in β ladder)trans-104.3131177.1-66.1-83.2000109.9L23 L35 L37 V80 T99L23-F28 HydrophobicContact CB-CE2 3.64Å; L23-F28 HydrophobicContact CB-CZ 3.96Å; L23-F28 HydrophobicContact CD1-CE2 3.86Å; L23-F28 HydrophobicContact CD1-CZ 3.43Å; L23-F28 VanDerWaalsContact CD1-CZ 3.43Å; L23-F28 HydrophobicContact CG-CE2 4.38Å; L23-F28 HydrophobicContact CG-CZ 4.33Å; F28-L35 HydrophobicContact CB-CD1 4.33Å; F28-L35 HydrophobicContact CD1-CD1 4.03Å; F28-L35 HydrophobicContact CD1-CD2 4.23Å; F28-L35 HydrophobicContact CD1-CG 4.3Å; F28-L35 HydrophobicContact CE1-CD2 4.45Å; F28-L37 HydrophobicContact CD1-CD1 4.21Å; F28-L37 HydrophobicContact CD1-CD2 4.3Å; F28-L37 HydrophobicContact CD1-CG 3.71Å; F28-L37 HydrophobicContact CE1-CD1 4.08Å; F28-L37 HydrophobicContact CE1-CD2 3.59Å; F28-L37 HydrophobicContact CE1-CG 3.51Å; F28-L37 HydrophobicContact CZ-CD2 4.21Å; F28-L37 HydrophobicContact CZ-CG 4.48Å; F28-V80 HydrophobicContact CE1-CG2 4.33Å; F28-T99 HydrophobicContact CE2-CG2 4.19Å; F28-T99 HydrophobicContact CZ-CG2 4.4Å
29H77.4Confident66.5Low82 Ų8252 Ų5238%0.3830%0.302SS..EExtended strand (participates in β ladder)trans-141.5154.7164.466.5-83.4000110.5I36 T38H29-I36 VanDerWaalsContact CE1-CB 3.44Å; H29-I36 WeakPolarHBondContact CE1-CB 3.47Å; H29-I36 WeakPolarHBondContact CE1-CG2 3.36Å; H29-I36 PolarHBondContact N-O 3.06Å; H29-I36 WeakPolarHBondContact NE2-CB 3.43Å; H29-I36 PolarHBondContact O-N 3.49Å; H29-T38 PolarHBondContact CE1-OG1 3.46Å
30I75.3Confident68Low33 Ų3349.4 Ų49.417%0.16928%0.282CS..EExtended strand (participates in β ladder)trans-101.2130.1175.9-68.3163.7000107.6D34 L35 L73 F101 L103 Y107I30-D34 WeakPolarHBondContact CA-O 3.31Å; I30-L35 HydrophobicContact CG1-CD1 4.07Å; I30-L73 HydrophobicContact CD1-CD1 4.45Å; I30-L73 HydrophobicContact CG1-CD1 4.27Å; I30-L73 HydrophobicContact CG2-CD1 3.74Å; I30-F101 HydrophobicContact CD1-CE2 4.46Å; I30-F101 HydrophobicContact CD1-CZ 4.1Å; I30-L103 HydrophobicContact CD1-CD2 3.9Å; I30-Y107 HydrophobicContact CB-CE1 3.73Å; I30-Y107 HydrophobicContact CD1-CD1 4.11Å; I30-Y107 HydrophobicContact CD1-CD2 3.66Å; I30-Y107 HydrophobicContact CD1-CE1 3.87Å; I30-Y107 HydrophobicContact CD1-CE2 3.4Å; I30-Y107 HydrophobicContact CD1-CG 4.02Å; I30-Y107 HydrophobicContact CG1-CE1 4.41Å; I30-Y107 HydrophobicContact CG1-CE2 4.49Å; I30-Y107 HydrophobicContact CG2-CD1 3.93Å; I30-Y107 HydrophobicContact CG2-CE1 3.45Å; I30-Y107 VanDerWaalsContact CG2-CE1 3.45Å
31N75.8Confident68.9Low104 Ų10453.5 Ų53.556%0.55630%0.295SS*.EExtended strand (participates in β ladder)trans-127.9105.8174.4-171.57.9000108.9S33 D34 I36N31-S33 PolarHBondContact O-N 3.25Å; N31-D34 PolarHBondContact N-O 3.33Å; N31-D34 PolarHBondContact O-N 3.39Å; N31-D34 VanDerWaalsContact O-N 3.14Å; N31-I36 HydrophobicContact CB-CD1 3.43Å; N31-I36 VanDerWaalsContact CB-CD1 3.43Å; N31-I36 HydrophobicContact CB-CG1 4.07Å
32G73.9Confident69.5Low47 Ų4755.6 Ų55.649%0.48530%0.3SS..THydrogen-bonded Turntrans59.7-118.5-17500000112
33S75.2Confident69.9Low54 Ų5453.9 Ų53.938%0.37829%0.285SS..THydrogen-bonded Turntrans-904.5-178.454.70000114.4N31 L73N31-S33 PolarHBondContact O-N 3.25Å; S33-L73 WeakPolarHBondContact O-CB 3.33Å; S33-L73 PolarHBondContact O-N 3.18Å
34D79.8Confident69.9Low48 Ų4858.4 Ų58.426%0.25732%0.316SS..EExtended strand (participates in β ladder)trans-123.4142.1-171-56.4-36.9000112.1I30 N31 V70I30-D34 WeakPolarHBondContact CA-O 3.31Å; N31-D34 PolarHBondContact N-O 3.33Å; N31-D34 PolarHBondContact O-N 3.39Å; N31-D34 VanDerWaalsContact O-N 3.14Å; D34-V70 HydrophobicContact CB-CG1 3.51Å
35L79.3Confident69.9Low1 Ų161 Ų611%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-88117.5165.2176.365.7000107.7F28 I30 L37 I71 L73 V80 F101F28-L35 HydrophobicContact CB-CD1 4.33Å; F28-L35 HydrophobicContact CD1-CD1 4.03Å; F28-L35 HydrophobicContact CD1-CD2 4.23Å; F28-L35 HydrophobicContact CD1-CG 4.3Å; F28-L35 HydrophobicContact CE1-CD2 4.45Å; I30-L35 HydrophobicContact CG1-CD1 4.07Å; L35-L37 HydrophobicContact CD2-CD1 4.21Å; L35-L37 HydrophobicContact CG-CD1 4.03Å; L35-I71 HydrophobicContact CB-CB 4.25Å; L35-I71 HydrophobicContact CD2-CD1 4.49Å; L35-I71 PolarHBondContact N-O 2.75Å; L35-I71 PolarHBondContact O-N 3.02Å; L35-L73 HydrophobicContact CB-CD2 3.82Å; L35-L73 HydrophobicContact CB-CG 4.31Å; L35-V80 HydrophobicContact CD2-CG2 4.28Å; L35-F101 HydrophobicContact CD1-CD2 4.16Å; L35-F101 HydrophobicContact CD1-CE2 3.48Å; L35-F101 VanDerWaalsContact CD1-CE2 3.48Å; L35-F101 HydrophobicContact CD1-CZ 3.91Å; L35-F101 HydrophobicContact CD2-CD1 4.35Å; L35-F101 HydrophobicContact CD2-CD2 3.86Å; L35-F101 HydrophobicContact CD2-CE1 4.3Å; L35-F101 HydrophobicContact CD2-CE2 3.82Å; L35-F101 HydrophobicContact CD2-CG 4.13Å; L35-F101 HydrophobicContact CD2-CZ 4.04Å; L35-F101 HydrophobicContact CG-CE2 4.25Å; L35-F101 HydrophobicContact CG-CZ 4.43Å
36I83Confident69.8Low15 Ų1561.1 Ų61.18%0.07732%0.32CS..EExtended strand (participates in β ladder)trans-100.1124.2178.8-56-169.8000108.6H29 N31 D68 I69H29-I36 VanDerWaalsContact CE1-CB 3.44Å; H29-I36 WeakPolarHBondContact CE1-CB 3.47Å; H29-I36 WeakPolarHBondContact CE1-CG2 3.36Å; H29-I36 PolarHBondContact N-O 3.06Å; H29-I36 WeakPolarHBondContact NE2-CB 3.43Å; H29-I36 PolarHBondContact O-N 3.49Å; N31-I36 HydrophobicContact CB-CD1 3.43Å; N31-I36 VanDerWaalsContact CB-CD1 3.43Å; N31-I36 HydrophobicContact CB-CG1 4.07Å; I36-D68 HydrophobicContact CG2-CB 3.65Å; I36-I69 WeakPolarHBondContact CA-O 3.34Å
37L81.3Confident69.2Low0 Ų064 Ų640%034%0.336CS..EExtended strand (participates in β ladder)trans-102.2113.4169.2-66.777.3000108.5F26 D27 F28 L35 V53 D68 I69 I71 V80F26-L37 HydrophobicContact CB-CB 4.16Å; F26-L37 HydrophobicContact CB-CD2 4.18Å; F26-L37 HydrophobicContact CB-CG 4.47Å; F26-L37 HydrophobicContact CD1-CB 3.77Å; F26-L37 HydrophobicContact CD1-CD2 4.35Å; F26-L37 HydrophobicContact CD2-CD2 4.48Å; F26-L37 HydrophobicContact CG-CB 4.16Å; F26-L37 HydrophobicContact CG-CD2 4.08Å; D27-L37 WeakPolarHBondContact O-CA 3.19Å; F28-L37 HydrophobicContact CD1-CD1 4.21Å; F28-L37 HydrophobicContact CD1-CD2 4.3Å; F28-L37 HydrophobicContact CD1-CG 3.71Å; F28-L37 HydrophobicContact CE1-CD1 4.08Å; F28-L37 HydrophobicContact CE1-CD2 3.59Å; F28-L37 HydrophobicContact CE1-CG 3.51Å; F28-L37 HydrophobicContact CZ-CD2 4.21Å; F28-L37 HydrophobicContact CZ-CG 4.48Å; L35-L37 HydrophobicContact CD2-CD1 4.21Å; L35-L37 HydrophobicContact CG-CD1 4.03Å; L37-V53 HydrophobicContact CD2-CG1 4.24Å; L37-D68 WeakPolarHBondContact O-CA 3.4Å; L37-I69 HydrophobicContact CB-CB 4.1Å; L37-I69 HydrophobicContact CB-CD1 4.44Å; L37-I69 PolarHBondContact N-O 3.29Å; L37-I69 PolarHBondContact O-N 2.81Å; L37-I71 HydrophobicContact CD1-CD1 3.46Å; L37-I71 VanDerWaalsContact CD1-CD1 3.46Å; L37-I71 HydrophobicContact CD1-CG1 3.8Å; L37-V80 HydrophobicContact CD2-CG1 4.04Å
38T77.7Confident68.4Low42 Ų4262.4 Ų62.426%0.25833%0.329SS..EExtended strand (participates in β ladder)trans-100.6126175.2-59.80000108.5F26 D27 H29 N40 D68F26-T38 CarbonylContact C-O 3.59Å; F26-T38 VanDerWaalsContact CA-O 3.31Å; F26-T38 WeakPolarHBondContact CA-O 3.44Å; D27-T38 PolarHBondContact N-O 2.83Å; D27-T38 PolarHBondContact O-N 3.48Å; H29-T38 PolarHBondContact CE1-OG1 3.46Å; T38-N40 PolarHBondContact O-N 2.88Å; T38-D68 WeakPolarHBondContact CA-OD1 3.22Å; T38-D68 WeakPolarHBondContact CB-OD1 3.49Å; T38-D68 WeakPolarHBondContact CG2-OD1 3.24Å; T38-D68 PolarHBondContact OG1-OD1 2.94Å
39R71.4Confident67.6Low56 Ų5666.7 Ų66.721%0.21135%0.353CS..EExtended strand (participates in β ladder)trans-74.9125.3178.7-174.9179.7178173.9-0.1109.4P25 F26 F43P25-R39 HydrophobicContact CB-CG 4.45Å; P25-R39 CarbonylContact O-C 3.48Å; F26-R39 HydrophobicContact CD1-CB 4.18Å; F26-R39 HydrophobicContact CE1-CB 3.93Å; F26-R39 HydrophobicContact CE1-CG 4.4Å; R39-F43 PolarHBondContact NH2-O 2.84Å
40N69.2Low66.9Low51 Ų5163.2 Ų63.227%0.27334%0.34SS..PPolyproline II helixtrans-79129.9166.6-65.3-12.2000108.8P25 D27 T38 Y42P25-N40 WeakPolarHBondContact O-CB 3.5Å; P25-N40 PolarHBondContact O-N 2.91Å; D27-N40 VanDerWaalsContact CG-OD1 3.22Å; D27-N40 PolarHBondContact OD1-ND2 3.35Å; D27-N40 PolarHBondContact OD2-ND2 2.75Å; D27-N40 PolarHBondContact OD2-OD1 2.97Å; T38-N40 PolarHBondContact O-N 2.88Å; N40-Y42 PolarHBondContact O-N 2.81Å
41D60Low66.7Low154 Ų15462.1 Ų62.182%0.82433%0.334SS*.THydrogen-bonded Turntrans-60.2-1.7-174.4-69-34.2000115.4F43D41-F43 VanDerWaalsContact C-N 3.29Å; D41-F43 PolarHBondContact O-N 3.08Å
42Y52.6Low66.8Low205 Ų20558.6 Ų58.680%0.80432%0.317SS*.THydrogen-bonded Turntrans-73.3-9.9-175.5-89.8-84.8000115.5N40 S44N40-Y42 PolarHBondContact O-N 2.81Å; Y42-S44 PolarHBondContact O-N 3.32Å
43F53.3Low67.1Low59 Ų5956.4 Ų56.426%0.25929%0.294SS..  trans-100.374.8174-95.8-96.3000111.7S24 P25 R39 D41 F45 V46S24-F43 WeakPolarHBondContact OG-CE2 3.12Å; P25-F43 HydrophobicContact CB-CB 3.9Å; P25-F43 HydrophobicContact CB-CD2 3.55Å; P25-F43 HydrophobicContact CB-CE2 4.3Å; P25-F43 HydrophobicContact CB-CG 3.95Å; P25-F43 HydrophobicContact CG-CB 4.39Å; P25-F43 HydrophobicContact CG-CD2 4.25Å; P25-F43 HydrophobicContact CG-CG 4.37Å; R39-F43 PolarHBondContact NH2-O 2.84Å; D41-F43 VanDerWaalsContact C-N 3.29Å; D41-F43 PolarHBondContact O-N 3.08Å; F43-F45 PolarHBondContact O-N 2.66Å; F43-V46 HydrophobicContact CD1-CG2 3.71Å; F43-V46 HydrophobicContact CE1-CG2 4.26Å
44S51.6Low67.6Low94 Ų9457.7 Ų57.766%0.65729%0.293SS*.THydrogen-bonded Turntrans-73-3.7170.655.60000114Y42Y42-S44 PolarHBondContact O-N 3.32Å
45F53.3Low67.7Low119 Ų11955.8 Ų55.852%0.52228%0.283SS..THydrogen-bonded Turntrans-107.4-7.3-170.8-59.6-76.8000115.5F43 F88F43-F45 PolarHBondContact O-N 2.66Å; F45-F88 HydrophobicContact CB-CE2 4.37Å; F45-F88 AromaticContact CD1-CE2 3.84Å; F45-F88 HydrophobicContact CD1-CE2 3.84Å; F45-F88 HydrophobicContact CD1-CZ 4.21Å
46V57.4Low67.9Low11 Ų1159.3 Ų59.37%0.06730%0.301CS..BIsolated β-bridgetrans-98.2129.5177.7174.90000108.3F43 P48 L51 Q86 L95F43-V46 HydrophobicContact CD1-CG2 3.71Å; F43-V46 HydrophobicContact CE1-CG2 4.26Å; V46-P48 WeakPolarHBondContact O-CD 3.38Å; V46-L51 HydrophobicContact CG1-CD1 3.98Å; V46-L51 HydrophobicContact CG1-CD2 4.05Å; V46-L51 HydrophobicContact CG1-CG 3.76Å; V46-Q86 HydrophobicContact CG2-CG 4.1Å; V46-L95 HydrophobicContact CG2-CD1 4.29Å
47N58.3Low67.8Low66 Ų6661.6 Ų61.635%0.35332%0.316SS..  trans-59.4115.3178.4-174.9-6.8000107.8D49 G50 Y85 A87N47-D49 PolarHBondContact O-N 3.2Å; N47-D49 VanDerWaalsContact O-N 3.14Å; N47-D49 PolarHBondContact OD1-N 2.89Å; N47-G50 PolarHBondContact O-N 3.37Å; N47-Y85 PolarHBondContact N-O 3.17Å; N47-A87 HydrophobicContact CB-CB 4.32Å
48P55.1Low67.9Low31 Ų3164.4 Ų64.420%0.20135%0.345CS..G310 helixtrans-53.3-34.2-176.710.8-26.2000115.2V46 G50 L65V46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-G50 PolarHBondContact O-N 3Å; P48-L65 HydrophobicContact CB-CB 4.44Å; P48-L65 HydrophobicContact CB-CD1 3.68Å; P48-L65 HydrophobicContact CB-CD2 3.29Å; P48-L65 HydrophobicContact CB-CG 3.17Å; P48-L65 HydrophobicContact CG-CD1 3.7Å; P48-L65 HydrophobicContact CG-CD2 3.64Å; P48-L65 HydrophobicContact CG-CG 3.72Å
49D58.4Low68.1Low128 Ų12865.1 Ų65.168%0.68435%0.345SS*.G310 helixtrans-78.3-0.3-176.7-61.1-29.5000112.4N47N47-D49 PolarHBondContact O-N 3.2Å; N47-D49 VanDerWaalsContact O-N 3.14Å; N47-D49 PolarHBondContact OD1-N 2.89Å
50G63.3Low68.7Low10 Ų1066 Ų6610%0.10336%0.356CS..G310 helixtrans-1148.5-173.800000115.5N47 P48 Y85N47-G50 PolarHBondContact O-N 3.37Å; P48-G50 PolarHBondContact O-N 3Å; G50-Y85 WeakPolarHBondContact O-CD2 3.44Å
51L70.8Confident69.2Low9 Ų964.6 Ų64.65%0.04735%0.352CS..  trans-90.3121.4179.7-85.2162.5000110.8V46 T63 V82 N83V46-L51 HydrophobicContact CG1-CD1 3.98Å; V46-L51 HydrophobicContact CG1-CD2 4.05Å; V46-L51 HydrophobicContact CG1-CG 3.76Å; L51-T63 HydrophobicContact CB-CG2 4.09Å; L51-T63 WeakPolarHBondContact CB-OG1 3.33Å; L51-T63 PolarHBondContact O-N 2.83Å; L51-T63 VanDerWaalsContact O-N 3.08Å; L51-T63 PolarHBondContact O-OG1 3.41Å; L51-V82 HydrophobicContact CD2-CG1 3.65Å; L51-N83 CarbonylContact C-O 3.55Å; L51-N83 WeakPolarHBondContact CA-O 3.22Å
52V77.9Confident69.8Low31 Ų3163.4 Ų63.419%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-121.8118.1176.4-177.50000108.2K54 T60 N83V52-K54 HydrophobicContact CG1-CG 4.08Å; V52-T60 HydrophobicContact CG1-CG2 3.64Å; V52-N83 HydrophobicContact CB-CB 4.45Å; V52-N83 PolarHBondContact N-O 3.2Å; V52-N83 PolarHBondContact O-N 2.85Å
53V79.8Confident70.4Confident0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-98.1128.8173.9177.60000109.2F26 L37 T60 A61 T63 I69 I71 V80 I81 V82F26-V53 HydrophobicContact CZ-CG2 4.45Å; L37-V53 HydrophobicContact CD2-CG1 4.24Å; V53-T60 CarbonylContact O-C 3.59Å; V53-T60 VanDerWaalsContact O-CA 3.31Å; V53-T60 WeakPolarHBondContact O-CA 3.43Å; V53-A61 PolarHBondContact N-O 2.9Å; V53-A61 PolarHBondContact O-N 3.09Å; V53-T63 HydrophobicContact CG2-CG2 4.44Å; V53-I69 HydrophobicContact CB-CD1 3.95Å; V53-I69 HydrophobicContact CB-CG2 4.49Å; V53-I69 HydrophobicContact CG2-CD1 3.25Å; V53-I71 HydrophobicContact CG1-CD1 4.04Å; V53-V80 HydrophobicContact CG1-CG1 3.54Å; V53-I81 CarbonylContact C-O 3.24Å; V53-I81 WeakPolarHBondContact CA-O 3.31Å; V53-V82 HydrophobicContact CG2-CG1 4.34Å; V53-V82 HydrophobicContact CG2-CG2 3.95Å
54K85.3Confident70.7Confident82 Ų8255.3 Ų55.336%0.35733%0.326SS..EExtended strand (participates in β ladder)trans-123.8154.4178.6-62.1-178.2179.6-177.60110.2V52 F59 T60 I81V52-K54 HydrophobicContact CG1-CG 4.08Å; K54-F59 CarbonylContact C-O 3.57Å; K54-F59 WeakPolarHBondContact CA-O 3.41Å; K54-T60 HydrophobicContact CG-CG2 4.03Å; K54-I81 HydrophobicContact CB-CB 4.2Å; K54-I81 PolarHBondContact N-O 3.2Å; K54-I81 PolarHBondContact O-N 3.13Å
55T83.6Confident71Confident8 Ų855.4 Ų55.45%0.04932%0.318CS..EExtended strand (participates in β ladder)trans-113162.7166.8660000110.9T57 G58 F59 I71 P77 K79T55-T57 PolarHBondContact O-N 2.89Å; T55-T57 PolarHBondContact OG1-N 2.79Å; T55-T57 PolarHBondContact OG1-OG1 2.9Å; T55-G58 PolarHBondContact O-N 2.83Å; T55-G58 VanDerWaalsContact O-N 3.13Å; T55-G58 PolarHBondContact OG1-N 2.75Å; T55-F59 HydrophobicContact CG2-CB 3.99Å; T55-F59 HydrophobicContact CG2-CD1 4.35Å; T55-F59 PolarHBondContact N-O 2.84Å; T55-F59 VanDerWaalsContact OG1-CB 3.26Å; T55-F59 WeakPolarHBondContact OG1-CB 3.43Å; T55-F59 PolarHBondContact OG1-N 2.84Å; T55-I71 HydrophobicContact CG2-CD1 4.02Å; T55-I71 HydrophobicContact CG2-CG2 3.9Å; T55-P77 HydrophobicContact CG2-CB 3.7Å; T55-P77 HydrophobicContact CG2-CG 4.26Å; T55-K79 WeakPolarHBondContact CA-O 3.33Å
56D82.7Confident71.3Confident74 Ų7457.8 Ų57.840%0.39634%0.335SS..THydrogen-bonded Turntrans-62.9-14.5168.160.5-37.8000113.6P77 T78 K79D56-P77 VanDerWaalsContact OD1-CA 3.25Å; D56-P77 WeakPolarHBondContact OD1-CA 3.21Å; D56-T78 PolarHBondContact OD1-N 3.06Å; D56-T78 WeakPolarHBondContact OD2-CB 3.32Å; D56-T78 PolarHBondContact OD2-N 3.4Å; D56-T78 PolarHBondContact OD2-OG1 2.9Å; D56-K79 HydrophobicContact CB-CB 4.21Å; D56-K79 PolarHBondContact N-O 3.29Å; D56-K79 PolarHBondContact OD1-N 2.68Å; D56-K79 VanDerWaalsContact OD1-N 3.13Å
57T80.9Confident71.8Confident63 Ų6360.3 Ų60.339%0.38735%0.354SS..THydrogen-bonded Turntrans-91.1117758.30000112.9T55 S75T55-T57 PolarHBondContact O-N 2.89Å; T55-T57 PolarHBondContact OG1-N 2.79Å; T55-T57 PolarHBondContact OG1-OG1 2.9Å; T57-S75 WeakPolarHBondContact CG2-O 3.45Å
58G83.1Confident72.8Confident59 Ų5961 Ų6161%0.60836%0.357SS*.SBendtrans88.6-0.2176.800000114.9T55 T60T55-G58 PolarHBondContact O-N 2.83Å; T55-G58 VanDerWaalsContact O-N 3.13Å; T55-G58 PolarHBondContact OG1-N 2.75Å; G58-T60 PolarHBondContact O-N 3.43Å
59F83Confident74Confident58 Ų5859.9 Ų59.925%0.25435%0.35SS..  trans-62.1134.4171.3-177.7-92000109K54 T55 A61 V70 I71 P72K54-F59 CarbonylContact C-O 3.57Å; K54-F59 WeakPolarHBondContact CA-O 3.41Å; T55-F59 HydrophobicContact CG2-CB 3.99Å; T55-F59 HydrophobicContact CG2-CD1 4.35Å; T55-F59 PolarHBondContact N-O 2.84Å; T55-F59 VanDerWaalsContact OG1-CB 3.26Å; T55-F59 WeakPolarHBondContact OG1-CB 3.43Å; T55-F59 PolarHBondContact OG1-N 2.84Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CZ-CB 4.33Å; F59-V70 WeakPolarHBondContact CZ-O 3.38Å; F59-I71 HydrophobicContact CD1-CB 4.45Å; F59-I71 HydrophobicContact CD1-CG1 4.08Å; F59-I71 HydrophobicContact CD1-CG2 4.04Å; F59-I71 HydrophobicContact CE1-CB 4.27Å; F59-I71 HydrophobicContact CE1-CG1 3.8Å; F59-I71 HydrophobicContact CE1-CG2 4.32Å; F59-I71 HydrophobicContact CG-CG2 4.39Å; F59-P72 VanDerWaalsContact CE2-CD 3.42Å; F59-P72 HydrophobicContact CE2-CG 4.15Å
60T82.5Confident75.2Confident74 Ų7457 Ų5745%0.45434%0.336SS..EExtended strand (participates in β ladder)trans-135.1130.7177.8-56.80000109.1V52 V53 K54 G58V52-T60 HydrophobicContact CG1-CG2 3.64Å; V53-T60 CarbonylContact O-C 3.59Å; V53-T60 VanDerWaalsContact O-CA 3.31Å; V53-T60 WeakPolarHBondContact O-CA 3.43Å; K54-T60 HydrophobicContact CG-CG2 4.03Å; G58-T60 PolarHBondContact O-N 3.43Å
61A80.1Confident76Confident21 Ų2156.5 Ų56.517%0.17433%0.331CS..EExtended strand (participates in β ladder)trans-128.4131.6173.900000109.9V53 F59 I69V53-A61 PolarHBondContact N-O 2.9Å; V53-A61 PolarHBondContact O-N 3.09Å; F59-A61 HydrophobicContact CE1-CB 3.8Å; F59-A61 HydrophobicContact CZ-CB 4.33Å; A61-I69 HydrophobicContact CB-CG2 3.65Å
62N73.2Confident76.4Confident130 Ų13058 Ų5870%0.69534%0.342SS*.EExtended strand (participates in β ladder)trans-92.7132.7170.9-65.6-15.8000108.1
63T64Low76.3Confident19 Ų1956.5 Ų56.512%0.11733%0.333CS..PPolyproline II helixtrans-93.4135.7-176.372.20000110.9L51 V53 I69L51-T63 HydrophobicContact CB-CG2 4.09Å; L51-T63 WeakPolarHBondContact CB-OG1 3.33Å; L51-T63 PolarHBondContact O-N 2.83Å; L51-T63 VanDerWaalsContact O-N 3.08Å; L51-T63 PolarHBondContact O-OG1 3.41Å; V53-T63 HydrophobicContact CG2-CG2 4.44Å; T63-I69 HydrophobicContact CG2-CD1 3.3Å; T63-I69 HydrophobicContact CG2-CG1 3.79Å
64S61.4Low76Confident75 Ų7559.8 Ų59.852%0.52436%0.355SS..PPolyproline II helixtrans-95.7155.1155.472.20000109.1L66 S67S64-L66 PolarHBondContact O-N 3.39Å; S64-S67 PolarHBondContact O-N 2.97Å; S64-S67 PolarHBondContact OG-OG 2.91Å
65L56.2Low75.5Confident96 Ų9657.6 Ų57.650%0.50335%0.351SS..THydrogen-bonded Turntrans-42.7-23.4-168.9-96.7146000119.1P48P48-L65 HydrophobicContact CB-CB 4.44Å; P48-L65 HydrophobicContact CB-CD1 3.68Å; P48-L65 HydrophobicContact CB-CD2 3.29Å; P48-L65 HydrophobicContact CB-CG 3.17Å; P48-L65 HydrophobicContact CG-CD1 3.7Å; P48-L65 HydrophobicContact CG-CD2 3.64Å; P48-L65 HydrophobicContact CG-CG 3.72Å
66L59.7Low75.1Confident169 Ų16958.1 Ų58.189%0.88535%0.354SS*.THydrogen-bonded Turntrans-1362.8-160.2-64.6169.8000114.2S64S64-L66 PolarHBondContact O-N 3.39Å
67S69.1Low74.8Confident64 Ų6454.6 Ų54.645%0.44834%0.335SS..  trans-105.9133.1-176.158.10000111.4S64S64-S67 PolarHBondContact O-N 2.97Å; S64-S67 PolarHBondContact OG-OG 2.91Å
68D78Confident74.6Confident79 Ų7954 Ų5442%0.42233%0.332SS..  trans-52.9141.7162.9-74.7-28000110.9I36 L37 T38I36-D68 HydrophobicContact CG2-CB 3.65Å; L37-D68 WeakPolarHBondContact O-CA 3.4Å; T38-D68 WeakPolarHBondContact CA-OD1 3.22Å; T38-D68 WeakPolarHBondContact CB-OD1 3.49Å; T38-D68 WeakPolarHBondContact CG2-OD1 3.24Å; T38-D68 PolarHBondContact OG1-OD1 2.94Å
69I81.4Confident74.4Confident9 Ų956.2 Ų56.25%0.04632%0.324CS..EExtended strand (participates in β ladder)trans-92.8118.8174.2-47.6170.9000107.7F26 I36 L37 V53 A61 T63 I71F26-I69 HydrophobicContact CE1-CD1 3.75Å; F26-I69 HydrophobicContact CZ-CD1 3.99Å; I36-I69 WeakPolarHBondContact CA-O 3.34Å; L37-I69 HydrophobicContact CB-CB 4.1Å; L37-I69 HydrophobicContact CB-CD1 4.44Å; L37-I69 PolarHBondContact N-O 3.29Å; L37-I69 PolarHBondContact O-N 2.81Å; V53-I69 HydrophobicContact CB-CD1 3.95Å; V53-I69 HydrophobicContact CB-CG2 4.49Å; V53-I69 HydrophobicContact CG2-CD1 3.25Å; A61-I69 HydrophobicContact CB-CG2 3.65Å; T63-I69 HydrophobicContact CG2-CD1 3.3Å; T63-I69 HydrophobicContact CG2-CG1 3.79Å; I69-I71 HydrophobicContact CG2-CG1 4.26Å
70V83.7Confident74.1Confident67 Ų6753.4 Ų53.441%0.40631%0.312SS..EExtended strand (participates in β ladder)trans-99.2109.3-179.7-173.60000108.3D34 F59D34-V70 HydrophobicContact CB-CG1 3.51Å; F59-V70 WeakPolarHBondContact CZ-O 3.38Å
71I80.6Confident74Confident0 Ų051.8 Ų51.80%030%0.3CS..EExtended strand (participates in β ladder)trans-101.7115.3174.2-55.7-177.9000108L35 L37 V53 T55 F59 I69 L73 P77 V80L35-I71 HydrophobicContact CB-CB 4.25Å; L35-I71 HydrophobicContact CD2-CD1 4.49Å; L35-I71 PolarHBondContact N-O 2.75Å; L35-I71 PolarHBondContact O-N 3.02Å; L37-I71 HydrophobicContact CD1-CD1 3.46Å; L37-I71 VanDerWaalsContact CD1-CD1 3.46Å; L37-I71 HydrophobicContact CD1-CG1 3.8Å; V53-I71 HydrophobicContact CG1-CD1 4.04Å; T55-I71 HydrophobicContact CG2-CD1 4.02Å; T55-I71 HydrophobicContact CG2-CG2 3.9Å; F59-I71 HydrophobicContact CD1-CB 4.45Å; F59-I71 HydrophobicContact CD1-CG1 4.08Å; F59-I71 HydrophobicContact CD1-CG2 4.04Å; F59-I71 HydrophobicContact CE1-CB 4.27Å; F59-I71 HydrophobicContact CE1-CG1 3.8Å; F59-I71 HydrophobicContact CE1-CG2 4.32Å; F59-I71 HydrophobicContact CG-CG2 4.39Å; I69-I71 HydrophobicContact CG2-CG1 4.26Å; I71-L73 PolarHBondContact O-N 2.9Å; I71-P77 HydrophobicContact CG2-CG 4.31Å; I71-V80 HydrophobicContact CD1-CG1 4.25Å; I71-V80 HydrophobicContact CD1-CG2 4.26Å
72P78.1Confident73.8Confident40 Ų4051.1 Ų51.126%0.2629%0.294SS..EExtended strand (participates in β ladder)trans-60.5121.9176.3-22.933.4000110.8F59 S74 S75F59-P72 VanDerWaalsContact CE2-CD 3.42Å; F59-P72 HydrophobicContact CE2-CG 4.15Å; P72-S74 WeakPolarHBondContact CB-OG 3.47Å; P72-S74 PolarHBondContact O-N 3.27Å; P72-S74 VanDerWaalsContact O-N 3.13Å; P72-S75 PolarHBondContact O-N 3.14Å; P72-S75 VanDerWaalsContact O-N 3.09Å; P72-S75 PolarHBondContact O-OG 3.18Å
73L76.6Confident73.8Confident0 Ų046.3 Ų46.30%027%0.268CS..G310 helixtrans-65-15.4175.8-70172.9000111.6I30 S33 L35 I71 S75 C76 F101 L103 C141I30-L73 HydrophobicContact CD1-CD1 4.45Å; I30-L73 HydrophobicContact CG1-CD1 4.27Å; I30-L73 HydrophobicContact CG2-CD1 3.74Å; S33-L73 WeakPolarHBondContact O-CB 3.33Å; S33-L73 PolarHBondContact O-N 3.18Å; L35-L73 HydrophobicContact CB-CD2 3.82Å; L35-L73 HydrophobicContact CB-CG 4.31Å; I71-L73 PolarHBondContact O-N 2.9Å; L73-S75 PolarHBondContact O-N 2.83Å; L73-C76 PolarHBondContact O-N 2.79Å; L73-C76 PolarHBondContact O-SG 3.09Å; L73-F101 HydrophobicContact CD2-CE1 3.75Å; L73-F101 HydrophobicContact CD2-CZ 3.8Å; L73-L103 HydrophobicContact CD1-CD2 4.26Å; L73-L103 HydrophobicContact CD2-CD2 4.39Å; L73-C141 PolarHBondContact O-SG 3.13Å
74S73.1Confident74.1Confident68 Ų6845.5 Ų45.548%0.47626%0.264SS..G310 helixtrans-56-26170.261.90000114.2P72 C76 L140P72-S74 WeakPolarHBondContact CB-OG 3.47Å; P72-S74 PolarHBondContact O-N 3.27Å; P72-S74 VanDerWaalsContact O-N 3.13Å; S74-C76 VanDerWaalsContact C-N 3.33Å; S74-L140 VanDerWaalsContact CB-CD1 3.44Å
75S74Confident74.2Confident37 Ų3747 Ų4726%0.25926%0.259SS..G310 helixtrans-78.5-18175.568.50000113.2T57 P72 L73T57-S75 WeakPolarHBondContact CG2-O 3.45Å; P72-S75 PolarHBondContact O-N 3.14Å; P72-S75 VanDerWaalsContact O-N 3.09Å; P72-S75 PolarHBondContact O-OG 3.18Å; L73-S75 PolarHBondContact O-N 2.83Å
76C75.2Confident74.4Confident18 Ų1844.9 Ų44.912%0.12225%0.246CC..  trans52.654177.6-60.50000115.5L73 S74 C141 P142 Q186L73-C76 PolarHBondContact O-N 2.79Å; L73-C76 PolarHBondContact O-SG 3.09Å; S74-C76 VanDerWaalsContact C-N 3.33Å; C76-C141 WeakPolarHBondContact CA-SG 3.48Å; C76-C141 HydrophobicContact CB-CB 4.03Å; C76-C141 WeakPolarHBondContact CB-SG 3.29Å; C76-C141 WeakPolarHBondContact SG-CA 3.47Å; C76-C141 WeakPolarHBondContact SG-CB 3.38Å; C76-C141 CovalentContact SG-SG 2.06Å; C76-C141 PolarHBondContact SG-SG 3.35Å; C76-P142 VanDerWaalsContact SG-CD 3.55Å; C76-Q186 VanDerWaalsContact C-NE2 3.3Å; C76-Q186 PolarHBondContact O-NE2 2.78Å
77P77.2Confident74.2Confident0 Ų040.2 Ų40.20%023%0.232CC..  trans-62.7143.6179.431.9-36.1000110.2T55 D56 I71 F101 Q186T55-P77 HydrophobicContact CG2-CB 3.7Å; T55-P77 HydrophobicContact CG2-CG 4.26Å; D56-P77 VanDerWaalsContact OD1-CA 3.25Å; D56-P77 WeakPolarHBondContact OD1-CA 3.21Å; I71-P77 HydrophobicContact CG2-CG 4.31Å; P77-F101 HydrophobicContact CG-CD1 4.24Å; P77-F101 WeakPolarHBondContact O-CD1 3.46Å; P77-Q186 PolarHBondContact O-NE2 2.89Å
78T76.7Confident73.5Confident51 Ų5144.1 Ų44.131%0.31324%0.241SC..SBendtrans-103.6-14.8167.4740000111.6D56 P100 F101 Q186D56-T78 PolarHBondContact OD1-N 3.06Å; D56-T78 WeakPolarHBondContact OD2-CB 3.32Å; D56-T78 PolarHBondContact OD2-N 3.4Å; D56-T78 PolarHBondContact OD2-OG1 2.9Å; T78-P100 WeakPolarHBondContact O-CA 3.41Å; T78-F101 PolarHBondContact O-N 3.16Å; T78-Q186 HydrophobicContact CG2-CB 4.48Å; T78-Q186 HydrophobicContact CG2-CG 4.26Å
79K77.9Confident72.3Confident105 Ų10543.3 Ų43.346%0.45725%0.252SS..EExtended strand (participates in β ladder)trans-140.2136.3178.6-60.6175.9-174.6174.90110.1T55 D56 I98 T99T55-K79 WeakPolarHBondContact CA-O 3.33Å; D56-K79 HydrophobicContact CB-CB 4.21Å; D56-K79 PolarHBondContact N-O 3.29Å; D56-K79 PolarHBondContact OD1-N 2.68Å; D56-K79 VanDerWaalsContact OD1-N 3.13Å; K79-I98 HydrophobicContact CB-CG2 4.2Å; K79-I98 HydrophobicContact CD-CG2 4.14Å; K79-I98 HydrophobicContact CG-CG2 4.38Å; K79-T99 WeakPolarHBondContact CA-O 3.44Å
80V77.8Confident70.9Confident0 Ų049 Ų490%029%0.292CS..EExtended strand (participates in β ladder)trans-106.3126.4165.6-174.80000107.9F28 L35 L37 V53 I71 V82 I98 T99 F101F28-V80 HydrophobicContact CE1-CG2 4.33Å; L35-V80 HydrophobicContact CD2-CG2 4.28Å; L37-V80 HydrophobicContact CD2-CG1 4.04Å; V53-V80 HydrophobicContact CG1-CG1 3.54Å; I71-V80 HydrophobicContact CD1-CG1 4.25Å; I71-V80 HydrophobicContact CD1-CG2 4.26Å; V80-V82 HydrophobicContact CG1-CG2 4.36Å; V80-I98 WeakPolarHBondContact O-CA 3.48Å; V80-T99 PolarHBondContact N-O 3.24Å; V80-T99 PolarHBondContact O-N 3.32Å; V80-F101 HydrophobicContact CG2-CB 4.4Å
81I80.8Confident69.6Low40 Ų4053 Ų5321%0.20531%0.307CS..EExtended strand (participates in β ladder)trans-111.5114.9-178.6-53.7172.3000107.1V53 K54 T96 E97 I98V53-I81 CarbonylContact C-O 3.24Å; V53-I81 WeakPolarHBondContact CA-O 3.31Å; K54-I81 HydrophobicContact CB-CB 4.2Å; K54-I81 PolarHBondContact N-O 3.2Å; K54-I81 PolarHBondContact O-N 3.13Å; I81-T96 HydrophobicContact CG2-CG2 3.78Å; I81-E97 CarbonylContact C-O 3.58Å; I81-E97 WeakPolarHBondContact CA-O 3.26Å; I81-I98 HydrophobicContact CG1-CG1 4.26Å; I81-I98 HydrophobicContact CG1-CG2 4.41Å; I81-I98 HydrophobicContact CG2-CG1 4.34Å
82V75.1Confident68.5Low7 Ų757.5 Ų57.54%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-103.6119.1175.8-179.60000108.3L23 F26 L51 V53 V80 T96 E97L23-V82 HydrophobicContact CD1-CG2 4.2Å; L23-V82 HydrophobicContact CD2-CB 3.94Å; L23-V82 HydrophobicContact CD2-CG2 3.5Å; L23-V82 VanDerWaalsContact CD2-CG2 3.5Å; F26-V82 HydrophobicContact CD2-CG2 4.13Å; F26-V82 HydrophobicContact CE2-CG1 3.73Å; F26-V82 HydrophobicContact CE2-CG2 4.02Å; L51-V82 HydrophobicContact CD2-CG1 3.65Å; V53-V82 HydrophobicContact CG2-CG1 4.34Å; V53-V82 HydrophobicContact CG2-CG2 3.95Å; V80-V82 HydrophobicContact CG1-CG2 4.36Å; V82-T96 WeakPolarHBondContact O-CA 3.37Å; V82-E97 PolarHBondContact N-O 2.94Å; V82-E97 PolarHBondContact O-N 3.17Å
83N73.6Confident67.6Low28 Ų2859.9 Ų59.915%0.1535%0.345CS..EExtended strand (participates in β ladder)trans-104.2126170.7-68.3-29.1000109.1L51 V52 L95 T96L51-N83 CarbonylContact C-O 3.55Å; L51-N83 WeakPolarHBondContact CA-O 3.22Å; V52-N83 HydrophobicContact CB-CB 4.45Å; V52-N83 PolarHBondContact N-O 3.2Å; V52-N83 PolarHBondContact O-N 2.85Å; N83-L95 CarbonylContact C-O 3.34Å; N83-L95 VanDerWaalsContact CA-O 3.22Å; N83-L95 WeakPolarHBondContact CA-O 3.46Å; N83-T96 WeakPolarHBondContact OD1-CG2 3.2Å; N83-T96 PolarHBondContact OD1-OG1 2.91Å
84G69.3Low67Low3 Ų363.7 Ų63.73%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-128.4153.7174.700000111.9T94 L95G84-T94 WeakPolarHBondContact O-CA 3.47Å; G84-L95 PolarHBondContact N-O 3.03Å; G84-L95 PolarHBondContact O-N 3.17Å
85Y64.9Low66.5Low107 Ų10763.8 Ų63.842%0.4236%0.364SS..EExtended strand (participates in β ladder)trans-105.5120.8171.2-63.2-77.8000110.2N47 G50 P92 I93N47-Y85 PolarHBondContact N-O 3.17Å; G50-Y85 WeakPolarHBondContact O-CD2 3.44Å; Y85-P92 HydrophobicContact CD1-CB 4.15Å; Y85-I93 WeakPolarHBondContact CA-O 2.9Å
86Q60.1Low66.4Low50 Ų5066.1 Ų66.123%0.23438%0.376CS..EExtended strand (participates in β ladder)trans-86.7126.5166.2-82.8-175.3-11.700109.5V46 F88 I93 L95V46-Q86 HydrophobicContact CG2-CG 4.1Å; Q86-F88 VanDerWaalsContact C-N 3.35Å; Q86-F88 PolarHBondContact O-N 3.13Å; Q86-I93 HydrophobicContact CB-CB 4.45Å; Q86-I93 PolarHBondContact N-O 2.85Å; Q86-I93 PolarHBondContact O-N 3.27Å; Q86-L95 HydrophobicContact CG-CD1 3.71Å
87A54.3Low66.1Low71 Ų7168.7 Ų68.759%0.58739%0.387SS*.  trans-95.229.1-176.700000113.5N47N47-A87 HydrophobicContact CB-CB 4.32Å
88F55.1Low65.9Low146 Ų14673.3 Ų73.364%0.6441%0.411SS*.SBendtrans-103.295.3177.8-77.3-82.2000110.8F45 Q86F45-F88 HydrophobicContact CB-CE2 4.37Å; F45-F88 AromaticContact CD1-CE2 3.84Å; F45-F88 HydrophobicContact CD1-CE2 3.84Å; F45-F88 HydrophobicContact CD1-CZ 4.21Å; Q86-F88 VanDerWaalsContact C-N 3.35Å; Q86-F88 PolarHBondContact O-N 3.13Å
89G52.9Low65.6Low62 Ų6271.6 Ų71.664%0.63940%0.4SS*.SBendtrans126.1168.1179.500000112.6E91G89-E91 PolarHBondContact O-N 2.55Å
90S52.5Low65.2Low129 Ų12971.3 Ų71.390%0.90241%0.409SS*.SBendtrans-68.7-8178.2480000114
91E56.2Low64.9Low151 Ų15172.2 Ų72.271%0.70641%0.413SS*.SBendtrans-126.8128.3177.2-66.7-169.116700110.4G89 I93G89-E91 PolarHBondContact O-N 2.55Å; E91-I93 PolarHBondContact O-N 3.05Å
92P58.1Low64.3Low94 Ų9473.7 Ų73.761%0.6142%0.424SS*.PPolyproline II helixtrans-68.3118.3177.126.7-31.7000110.2Y85 T94Y85-P92 HydrophobicContact CD1-CB 4.15Å; P92-T94 PolarHBondContact O-N 2.72Å
93I58.2Low63.9Low90 Ų9073.4 Ų73.446%0.46242%0.422SS..EExtended strand (participates in β ladder)trans-80122.4172.6-58.8174000108Y85 Q86 E91Y85-I93 WeakPolarHBondContact CA-O 2.9Å; Q86-I93 HydrophobicContact CB-CB 4.45Å; Q86-I93 PolarHBondContact N-O 2.85Å; Q86-I93 PolarHBondContact O-N 3.27Å; E91-I93 PolarHBondContact O-N 3.05Å
94T63.3Low63.7Low80 Ų8075.8 Ų75.849%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-84.2117.1170.8-53.90000108.8G84 P92G84-T94 WeakPolarHBondContact O-CA 3.47Å; P92-T94 PolarHBondContact O-N 2.72Å
95L63.5Low63.7Low70 Ų7077.4 Ų77.437%0.36645%0.445SS..EExtended strand (participates in β ladder)trans-94.7124.1169.5-71.9168.4000108.5V46 N83 G84 Q86V46-L95 HydrophobicContact CG2-CD1 4.29Å; N83-L95 CarbonylContact C-O 3.34Å; N83-L95 VanDerWaalsContact CA-O 3.22Å; N83-L95 WeakPolarHBondContact CA-O 3.46Å; G84-L95 PolarHBondContact N-O 3.03Å; G84-L95 PolarHBondContact O-N 3.17Å; Q86-L95 HydrophobicContact CG-CD1 3.71Å
96T70.8Confident63.9Low86 Ų8678.5 Ų78.553%0.52845%0.454SS..EExtended strand (participates in β ladder)trans-114.6114.8171.5-60.90000108.8I81 V82 N83 I98I81-T96 HydrophobicContact CG2-CG2 3.78Å; V82-T96 WeakPolarHBondContact O-CA 3.37Å; N83-T96 WeakPolarHBondContact OD1-CG2 3.2Å; N83-T96 PolarHBondContact OD1-OG1 2.91Å; T96-I98 HydrophobicContact CG2-CG1 4.12Å
97E69.6Low64.5Low72 Ų7279.4 Ų79.434%0.33646%0.455SS..EExtended strand (participates in β ladder)trans-109.7130.4171.5-170.6172.6172.100109.6L23 I81 V82L23-E97 HydrophobicContact CD2-CB 3.96Å; L23-E97 HydrophobicContact CD2-CG 3.72Å; L23-E97 VanDerWaalsContact CD2-OE2 3.32Å; L23-E97 WeakPolarHBondContact CD2-OE2 3.35Å; L23-E97 HydrophobicContact CG-CG 4.05Å; L23-E97 WeakPolarHBondContact CG-OE1 3.38Å; I81-E97 CarbonylContact C-O 3.58Å; I81-E97 WeakPolarHBondContact CA-O 3.26Å; V82-E97 PolarHBondContact N-O 2.94Å; V82-E97 PolarHBondContact O-N 3.17Å
98I73.1Confident65.5Low98 Ų9876.4 Ų76.450%0.50343%0.429SS..EExtended strand (participates in β ladder)trans-118.2117.1180-54.5178.7000108K79 V80 I81 T96K79-I98 HydrophobicContact CB-CG2 4.2Å; K79-I98 HydrophobicContact CD-CG2 4.14Å; K79-I98 HydrophobicContact CG-CG2 4.38Å; V80-I98 WeakPolarHBondContact O-CA 3.48Å; I81-I98 HydrophobicContact CG1-CG1 4.26Å; I81-I98 HydrophobicContact CG1-CG2 4.41Å; I81-I98 HydrophobicContact CG2-CG1 4.34Å; T96-I98 HydrophobicContact CG2-CG1 4.12Å
99T69.8Low66.7Low15 Ų1570 Ų709%0.09240%0.402CS..EExtended strand (participates in β ladder)trans-115.7126.1178.1-66.50000110.6L23 F28 K79 V80 F101L23-T99 HydrophobicContact CD1-CG2 3.92Å; L23-T99 WeakPolarHBondContact CD1-OG1 3.25Å; L23-T99 WeakPolarHBondContact CG-OG1 3.46Å; F28-T99 HydrophobicContact CE2-CG2 4.19Å; F28-T99 HydrophobicContact CZ-CG2 4.4Å; K79-T99 WeakPolarHBondContact CA-O 3.44Å; V80-T99 PolarHBondContact N-O 3.24Å; V80-T99 PolarHBondContact O-N 3.32Å; T99-F101 PolarHBondContact O-N 3.33Å
100P71.2Confident68.1Low99 Ų9968.6 Ų68.664%0.64338%0.381SS*.EExtended strand (participates in β ladder)trans-66128.8172.327.9-32.1000109.2T78T78-P100 WeakPolarHBondContact O-CA 3.41Å
101F69.9Low69.8Low18 Ų1862.6 Ų62.68%0.07934%0.34CS..  trans-111.4129.1173175-101.4000108.6I30 L35 L73 P77 T78 V80 T99 L103I30-F101 HydrophobicContact CD1-CE2 4.46Å; I30-F101 HydrophobicContact CD1-CZ 4.1Å; L35-F101 HydrophobicContact CD1-CD2 4.16Å; L35-F101 HydrophobicContact CD1-CE2 3.48Å; L35-F101 VanDerWaalsContact CD1-CE2 3.48Å; L35-F101 HydrophobicContact CD1-CZ 3.91Å; L35-F101 HydrophobicContact CD2-CD1 4.35Å; L35-F101 HydrophobicContact CD2-CD2 3.86Å; L35-F101 HydrophobicContact CD2-CE1 4.3Å; L35-F101 HydrophobicContact CD2-CE2 3.82Å; L35-F101 HydrophobicContact CD2-CG 4.13Å; L35-F101 HydrophobicContact CD2-CZ 4.04Å; L35-F101 HydrophobicContact CG-CE2 4.25Å; L35-F101 HydrophobicContact CG-CZ 4.43Å; L73-F101 HydrophobicContact CD2-CE1 3.75Å; L73-F101 HydrophobicContact CD2-CZ 3.8Å; P77-F101 HydrophobicContact CG-CD1 4.24Å; P77-F101 WeakPolarHBondContact O-CD1 3.46Å; T78-F101 PolarHBondContact O-N 3.16Å; V80-F101 HydrophobicContact CG2-CB 4.4Å; T99-F101 PolarHBondContact O-N 3.33Å; F101-L103 HydrophobicContact CE1-CD1 4.47Å; F101-L103 HydrophobicContact CE1-CG 3.94Å; F101-L103 HydrophobicContact CZ-CD2 4.33Å; F101-L103 HydrophobicContact CZ-CG 4.13Å
102V68.1Low71.3Confident72 Ų7261.5 Ų61.544%0.43633%0.329SS..  trans-136.2120-178.6178.50000107.7I104 N187V102-I104 PolarHBondContact O-N 3.17Å; V102-N187 HydrophobicContact CG1-CB 3.71Å; V102-N187 WeakPolarHBondContact CG1-ND2 3.48Å
103L68.4Low72.7Confident1 Ų163 Ų631%0.00533%0.332CS..  trans-61.5120.1171.7-82151000109.2I30 L73 F101 Y107 I139 C141I30-L103 HydrophobicContact CD1-CD2 3.9Å; L73-L103 HydrophobicContact CD1-CD2 4.26Å; L73-L103 HydrophobicContact CD2-CD2 4.39Å; F101-L103 HydrophobicContact CE1-CD1 4.47Å; F101-L103 HydrophobicContact CE1-CG 3.94Å; F101-L103 HydrophobicContact CZ-CD2 4.33Å; F101-L103 HydrophobicContact CZ-CG 4.13Å; L103-Y107 HydrophobicContact CD2-CD2 4.17Å; L103-Y107 HydrophobicContact CD2-CG 3.94Å; L103-I139 HydrophobicContact CD1-CG2 4.45Å; L103-I139 HydrophobicContact CD2-CG2 4.49Å; L103-C141 HydrophobicContact CD1-CB 3.77Å; L103-C141 WeakPolarHBondContact CD1-SG 3.15Å
104I68.8Low74.3Confident77 Ų7760.3 Ų60.340%0.39532%0.319SS..  trans-67.415517160.9171.5000109.8V102 E106 Y107V102-I104 PolarHBondContact O-N 3.17Å; I104-E106 HydrophobicContact CD1-CB 4.39Å; I104-E106 HydrophobicContact CD1-CG 4.48Å; I104-E106 HydrophobicContact CG1-CB 4.42Å; I104-E106 PolarHBondContact O-N 2.85Å; I104-Y107 HydrophobicContact CD1-CD2 4.18Å; I104-Y107 HydrophobicContact CD1-CE2 3.73Å; I104-Y107 HydrophobicContact CG1-CD2 3.38Å; I104-Y107 HydrophobicContact CG1-CE2 3.42Å; I104-Y107 VanDerWaalsContact CG1-CE2 3.42Å; I104-Y107 PolarHBondContact O-N 3.01Å; I104-Y107 VanDerWaalsContact O-N 3.08Å
105S68.4Low75.5Confident38 Ų3859.4 Ų59.427%0.26632%0.315SS..G310 helixtrans-49.3-35.8-17543.10000114.1Y107 L108 Y190 N191S105-Y107 PolarHBondContact O-N 3.46Å; S105-Y107 VanDerWaalsContact O-N 3.12Å; S105-L108 WeakPolarHBondContact O-CB 3.5Å; S105-L108 PolarHBondContact O-N 3.05Å; S105-Y190 WeakPolarHBondContact CB-O 3.37Å; S105-N191 PolarHBondContact O-ND2 3.08Å; S105-N191 PolarHBondContact O-OD1 2.88Å
106E70.1Confident76.7Confident130 Ų13058.8 Ų58.861%0.60731%0.312SS*.G310 helixtrans-58.7-24-178.1-63.2178.4-178.400114.2I104 F192I104-E106 HydrophobicContact CD1-CB 4.39Å; I104-E106 HydrophobicContact CD1-CG 4.48Å; I104-E106 HydrophobicContact CG1-CB 4.42Å; I104-E106 PolarHBondContact O-N 2.85Å; E106-F192 HydrophobicContact CG-CE2 4.26Å
107Y71.4Confident77.3Confident68 Ų6859 Ų5927%0.26731%0.307SS..G310 helixtrans-88.9-5.4178.3-66.7-71.3000113.3I30 L103 I104 S105 I139I30-Y107 HydrophobicContact CB-CE1 3.73Å; I30-Y107 HydrophobicContact CD1-CD1 4.11Å; I30-Y107 HydrophobicContact CD1-CD2 3.66Å; I30-Y107 HydrophobicContact CD1-CE1 3.87Å; I30-Y107 HydrophobicContact CD1-CE2 3.4Å; I30-Y107 HydrophobicContact CD1-CG 4.02Å; I30-Y107 HydrophobicContact CG1-CE1 4.41Å; I30-Y107 HydrophobicContact CG1-CE2 4.49Å; I30-Y107 HydrophobicContact CG2-CD1 3.93Å; I30-Y107 HydrophobicContact CG2-CE1 3.45Å; I30-Y107 VanDerWaalsContact CG2-CE1 3.45Å; L103-Y107 HydrophobicContact CD2-CD2 4.17Å; L103-Y107 HydrophobicContact CD2-CG 3.94Å; I104-Y107 HydrophobicContact CD1-CD2 4.18Å; I104-Y107 HydrophobicContact CD1-CE2 3.73Å; I104-Y107 HydrophobicContact CG1-CD2 3.38Å; I104-Y107 HydrophobicContact CG1-CE2 3.42Å; I104-Y107 VanDerWaalsContact CG1-CE2 3.42Å; I104-Y107 PolarHBondContact O-N 3.01Å; I104-Y107 VanDerWaalsContact O-N 3.08Å; S105-Y107 PolarHBondContact O-N 3.46Å; S105-Y107 VanDerWaalsContact O-N 3.12Å; Y107-I139 HydrophobicContact CD1-CD1 3.8Å; Y107-I139 HydrophobicContact CG-CD1 4.31Å; Y107-I139 WeakPolarHBondContact O-CB 3.21Å; Y107-I139 WeakPolarHBondContact O-CD1 3.25Å; Y107-I139 WeakPolarHBondContact O-CG2 3.15Å
108L76.2Confident77.7Confident8 Ų860.1 Ų60.14%0.04232%0.315CS..SBendtrans-79.9152173.9-63.8173.4000110.5S105 V110 H143 V182 N191S105-L108 WeakPolarHBondContact O-CB 3.5Å; S105-L108 PolarHBondContact O-N 3.05Å; L108-V110 PolarHBondContact O-N 3.12Å; L108-H143 HydrophobicContact CD2-CB 4.43Å; L108-V182 HydrophobicContact CB-CG1 4.15Å; L108-N191 HydrophobicContact CB-CB 3.93Å; L108-N191 HydrophobicContact CD1-CB 4.13Å; L108-N191 PolarHBondContact O-ND2 2.93Å
109P80.1Confident77.4Confident11 Ų1157.1 Ų57.17%0.07130%0.299CS..  trans-52.4141169.4-26.834.3000111.6L133 V182 N191P109-L133 HydrophobicContact CB-CD2 4.2Å; P109-V182 VanDerWaalsContact O-CG2 3.29Å; P109-V182 WeakPolarHBondContact O-CG2 3.35Å; P109-N191 PolarHBondContact O-ND2 3.47Å
110V82.9Confident76.6Confident33 Ų3361.5 Ų61.520%0.233%0.328CS..EExtended strand (participates in β ladder)trans-110.1124.4178.2-178.60000108.6L108 R112 N134 N191L108-V110 PolarHBondContact O-N 3.12Å; V110-R112 HydrophobicContact CG1-CG 4.24Å; V110-N134 PolarHBondContact O-N 2.88Å; V110-N191 WeakPolarHBondContact CG2-ND2 3.42Å
111A87.7Confident75.8Confident4 Ų464.9 Ų64.93%0.03334%0.341CS..EExtended strand (participates in β ladder)trans-69.7131.1170.200000109.8L114 W131 T132 L133 V180 N194A111-L114 HydrophobicContact CB-CD1 4.44Å; A111-W131 HydrophobicContact CB-CB 4.47Å; A111-W131 HydrophobicContact CB-CG 4.36Å; A111-T132 CarbonylContact C-O 3.58Å; A111-T132 WeakPolarHBondContact CA-O 3.41Å; A111-L133 HydrophobicContact CB-CD2 4.25Å; A111-V180 HydrophobicContact CB-CB 3.74Å; A111-V180 HydrophobicContact CB-CG1 3.75Å; A111-V180 HydrophobicContact CB-CG2 4.46Å; A111-N194 PolarHBondContact O-ND2 3.39Å
112R87.4Confident75.1Confident127 Ų12769.3 Ų69.348%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-133166.1-179-65.7-171.1176.6-168-1.8110.6V110 L114 T132V110-R112 HydrophobicContact CG1-CG 4.24Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.43Å; R112-T132 PolarHBondContact N-O 2.92Å; R112-T132 PolarHBondContact O-N 3.42Å; R112-T132 PolarHBondContact O-OG1 2.96Å
113N88.3Confident74.8Confident127 Ų12771.8 Ų71.868%0.67937%0.374SS*.EExtended strand (participates in β ladder)trans5646175.8-54.1-38.5000112.8S115 T132N113-S115 PolarHBondContact O-N 3.01Å; N113-T132 PolarHBondContact ND2-OG1 2.89Å; N113-T132 VanDerWaalsContact ND2-OG1 3.07Å
114L90.8Very high74.7Confident33 Ų3374 Ų7417%0.17339%0.386CS..EExtended strand (participates in β ladder)trans-61.6129.4177.1-80.471.5000109.3A111 R112 L129 N130 W131 V180 N194 V196A111-L114 HydrophobicContact CB-CD1 4.44Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.43Å; L114-L129 HydrophobicContact CB-CD1 4.43Å; L114-L129 HydrophobicContact CD2-CD1 4.46Å; L114-N130 CarbonylContact C-O 3.6Å; L114-N130 VanDerWaalsContact CA-O 3.32Å; L114-N130 WeakPolarHBondContact CA-O 3.04Å; L114-W131 HydrophobicContact CD1-CB 4.28Å; L114-W131 HydrophobicContact CG-CB 4.33Å; L114-V180 HydrophobicContact CD2-CG2 4.47Å; L114-N194 HydrophobicContact CD1-CB 3.76Å; L114-N194 HydrophobicContact CD2-CB 4.23Å; L114-N194 VanDerWaalsContact CD2-O 3.22Å; L114-N194 WeakPolarHBondContact CD2-O 3.16Å; L114-V196 HydrophobicContact CB-CG1 3.87Å
115S90.1Very high75.1Confident60 Ų6074.2 Ų74.242%0.4238%0.382SS..EExtended strand (participates in β ladder)trans-140.1142.7178.257.40000110.8N113 N130N113-S115 PolarHBondContact O-N 3.01Å; S115-N130 PolarHBondContact N-O 3.12Å; S115-N130 PolarHBondContact O-N 2.06Å
116I87.6Confident75.7Confident57 Ų5772.9 Ų72.929%0.29237%0.372SS..EExtended strand (participates in β ladder)trans-103.1127.7177.2-62.7173.2000108.3I127 L129 L178 V196 Y198I116-I127 HydrophobicContact CG2-CB 4.13Å; I116-I127 HydrophobicContact CG2-CD1 4.32Å; I116-I127 HydrophobicContact CG2-CG2 4.37Å; I116-L129 HydrophobicContact CG1-CD1 4.16Å; I116-L178 HydrophobicContact CD1-CD1 4.25Å; I116-V196 HydrophobicContact CD1-CB 4.39Å; I116-V196 HydrophobicContact CD1-CG2 3.65Å; I116-V196 HydrophobicContact CG1-CG2 3.89Å; I116-Y198 HydrophobicContact CD1-CD2 3.71Å; I116-Y198 HydrophobicContact CD1-CG 4.04Å; I116-Y198 HydrophobicContact CG2-CD2 4.3Å; I116-Y198 HydrophobicContact CG2-CE2 4.34Å
117Q83.4Confident76.4Confident90 Ų9066.7 Ų66.742%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-110.1122.1169.4-176.6-179.5700109.1R128Q117-R128 HydrophobicContact CB-CB 4.37Å; Q117-R128 PolarHBondContact N-O 3.24Å; Q117-R128 PolarHBondContact O-N 3.21Å
118L77.2Confident77.3Confident96 Ų9666.7 Ų66.750%0.50334%0.342SS..EExtended strand (participates in β ladder)trans-74.6123.8168.4-64175.9000108.3I127 Y198L118-I127 HydrophobicContact CD2-CG2 3.73Å; L118-Y198 HydrophobicContact CD2-CE2 4.19Å
119L68.5Low78.1Confident35 Ų3566.3 Ų66.318%0.18334%0.34CS..PPolyproline II helixtrans-79.4134.7177.1-67.4175.1000109.6T126 R128L119-T126 HydrophobicContact CB-CG2 4.4Å; L119-T126 HydrophobicContact CD1-CG2 3.78Å; L119-R128 HydrophobicContact CD1-CB 4.48Å; L119-R128 HydrophobicContact CG-CB 4.46Å
120P53Low78.7Confident108 Ų10867.6 Ų67.670%0.70135%0.346SS*.THydrogen-bonded Turntrans-55.7142.6-179.7-21.630.5000111.8
121N53.5Low79.2Confident170 Ų17066.5 Ų66.591%0.90934%0.339SS*.THydrogen-bonded Turntrans75.28.7175.3-61.3-19.2000118.6
122M55.2Low79.4Confident110 Ų11069.4 Ų69.454%0.54236%0.356SS..SBendtrans-117.2129.1176.9-66.9-73.4-12900111.4N124 T126M122-N124 PolarHBondContact O-N 3.07Å; M122-T126 HydrophobicContact CG-CG2 4.37Å
123N61.6Low79.3Confident124 Ų12465 Ų6566%0.66334%0.342SS*.  trans-55.881.4178.3-67.9-28.7000112.1R125N123-R125 WeakPolarHBondContact O-CA 3.09Å; N123-R125 WeakPolarHBondContact O-CB 3.35Å; N123-R125 WeakPolarHBondContact O-CG 2.92Å; N123-R125 PolarHBondContact O-N 2.92Å
124N66.1Low78.7Confident47 Ų4761.1 Ų61.125%0.25132%0.321SS..SBendtrans38.116.7175.2-6716000118M122 Y198M122-N124 PolarHBondContact O-N 3.07Å; N124-Y198 PolarHBondContact O-OH 2.99Å
125R76.8Confident77.7Confident83 Ų8364.3 Ų64.331%0.31334%0.342SS..SBendtrans-117.1-19.2-167.5-75.4175.476.8-166.2-2112.2N123 L169 L170 L172N123-R125 WeakPolarHBondContact O-CA 3.09Å; N123-R125 WeakPolarHBondContact O-CB 3.35Å; N123-R125 WeakPolarHBondContact O-CG 2.92Å; N123-R125 PolarHBondContact O-N 2.92Å; R125-L169 PolarHBondContact O-N 2.84Å; R125-L170 VanDerWaalsContact CG-O 3.25Å; R125-L170 WeakPolarHBondContact CG-O 3.01Å; R125-L170 PolarHBondContact NE-O 3.02Å; R125-L170 PolarHBondContact O-N 2.85Å; R125-L172 HydrophobicContact CG-CD2 3.74Å; R125-L172 HydrophobicContact CG-CG 4.23Å
126T82.1Confident76Confident9 Ų968.5 Ų68.56%0.05536%0.36CS..  trans-112.6116.4172.9-69.40000107.2L119 M122 F167 D168L119-T126 HydrophobicContact CB-CG2 4.4Å; L119-T126 HydrophobicContact CD1-CG2 3.78Å; M122-T126 HydrophobicContact CG-CG2 4.37Å; T126-F167 WeakPolarHBondContact CA-O 3.4Å; T126-D168 WeakPolarHBondContact CG2-OD1 3.28Å; T126-D168 PolarHBondContact OG1-OD1 2.9Å
127I85.7Confident74.4Confident0 Ų067.2 Ų67.20%036%0.361CS..EExtended strand (participates in β ladder)trans-135.7151.6-177.662.5171.5000109.4I116 L118 E166 F167 L170 L178 Y198I116-I127 HydrophobicContact CG2-CB 4.13Å; I116-I127 HydrophobicContact CG2-CD1 4.32Å; I116-I127 HydrophobicContact CG2-CG2 4.37Å; L118-I127 HydrophobicContact CD2-CG2 3.73Å; I127-E166 WeakPolarHBondContact O-CA 3.23Å; I127-F167 HydrophobicContact CD1-CD2 4.43Å; I127-F167 HydrophobicContact CG1-CB 3.96Å; I127-F167 HydrophobicContact CG1-CD2 4.32Å; I127-F167 PolarHBondContact N-O 2.85Å; I127-F167 VanDerWaalsContact N-O 3.17Å; I127-F167 PolarHBondContact O-N 3.01Å; I127-L170 HydrophobicContact CD1-CD1 3.6Å; I127-L170 HydrophobicContact CG1-CD1 3.92Å; I127-L178 HydrophobicContact CD1-CD1 3.11Å; I127-L178 HydrophobicContact CD1-CG 4.5Å; I127-L178 HydrophobicContact CG1-CD1 4.47Å; I127-Y198 HydrophobicContact CD1-CD1 3.78Å; I127-Y198 HydrophobicContact CD1-CD2 4.46Å; I127-Y198 HydrophobicContact CD1-CE1 3.91Å; I127-Y198 HydrophobicContact CD1-CG 4.07Å; I127-Y198 HydrophobicContact CG2-CE1 3.93Å; I127-Y198 HydrophobicContact CG2-CE2 4.11Å; I127-Y198 WeakPolarHBondContact CG2-OH 3.37Å
128R90.4Very high73.1Confident69 Ų6965 Ų6526%0.2636%0.363SS..EExtended strand (participates in β ladder)trans-107.7119.6170.4-173.6-177.4-68.3171-5.6109Q117 L119 N130 Y164 E166Q117-R128 HydrophobicContact CB-CB 4.37Å; Q117-R128 PolarHBondContact N-O 3.24Å; Q117-R128 PolarHBondContact O-N 3.21Å; L119-R128 HydrophobicContact CD1-CB 4.48Å; L119-R128 HydrophobicContact CG-CB 4.46Å; R128-N130 WeakPolarHBondContact CD-OD1 3.37Å; R128-Y164 HydrophobicContact CG-CD2 4Å; R128-Y164 HydrophobicContact CG-CG 4.41Å; R128-E166 HydrophobicContact CB-CG 4.21Å; R128-E166 HydrophobicContact CG-CG 4.02Å; R128-E166 IonicContact CZ-OE1 3.83Å; R128-E166 IonicContact NE-OE1 3.48Å; R128-E166 PolarHBondContact NE-OE1 2.87Å; R128-E166 IonicContact NH2-OE1 2.83Å; R128-E166 PolarHBondContact NH2-OE1 2.78Å
129L91.7Very high72.2Confident0 Ų061.9 Ų61.90%035%0.346CS..EExtended strand (participates in β ladder)trans-88.3122.4168.1-178.467.1000107.8L114 I116 W131 Y164 Y165 F167 L178 V180 V196L114-L129 HydrophobicContact CB-CD1 4.43Å; L114-L129 HydrophobicContact CD2-CD1 4.46Å; I116-L129 HydrophobicContact CG1-CD1 4.16Å; L129-W131 HydrophobicContact CB-CZ3 4.44Å; L129-W131 HydrophobicContact CD2-CE3 4.43Å; L129-W131 HydrophobicContact CD2-CZ3 4.33Å; L129-W131 HydrophobicContact CG-CE3 4.12Å; L129-W131 HydrophobicContact CG-CZ3 4.22Å; L129-W131 VanDerWaalsContact O-CZ3 3.28Å; L129-W131 WeakPolarHBondContact O-CZ3 3.09Å; L129-Y164 CarbonylContact O-C 3.54Å; L129-Y164 WeakPolarHBondContact O-CA 3.42Å; L129-Y164 WeakPolarHBondContact O-CB 3.38Å; L129-Y165 PolarHBondContact N-O 2.91Å; L129-Y165 PolarHBondContact O-N 2.93Å; L129-F167 HydrophobicContact CB-CD2 4.34Å; L129-F167 HydrophobicContact CB-CE2 3.91Å; L129-F167 HydrophobicContact CD2-CE2 4.03Å; L129-L178 HydrophobicContact CD2-CB 4.41Å; L129-V180 HydrophobicContact CD2-CG2 3.96Å; L129-V196 HydrophobicContact CD1-CG2 3.82Å
130N93Very high72Confident37 Ų3765.9 Ų65.920%0.19837%0.367CS..EExtended strand (participates in β ladder)trans-113.6149.9176.2-54.5-78.9000109.8L114 S115 R128 Y164L114-N130 CarbonylContact C-O 3.6Å; L114-N130 VanDerWaalsContact CA-O 3.32Å; L114-N130 WeakPolarHBondContact CA-O 3.04Å; S115-N130 PolarHBondContact N-O 3.12Å; S115-N130 PolarHBondContact O-N 2.06Å; R128-N130 WeakPolarHBondContact CD-OD1 3.37Å; N130-Y164 VanDerWaalsContact OD1-CB 3.29Å; N130-Y164 WeakPolarHBondContact OD1-CB 3.2Å
131W93.5Very high72.8Confident10 Ų1060.9 Ų60.94%0.03833%0.334CS..EExtended strand (participates in β ladder)trans-149.6173.3175.159.692.8000111.2A111 L114 L129 I145 A147 T160 H162 N163 Y164 Y165 V180A111-W131 HydrophobicContact CB-CB 4.47Å; A111-W131 HydrophobicContact CB-CG 4.36Å; L114-W131 HydrophobicContact CD1-CB 4.28Å; L114-W131 HydrophobicContact CG-CB 4.33Å; L129-W131 HydrophobicContact CB-CZ3 4.44Å; L129-W131 HydrophobicContact CD2-CE3 4.43Å; L129-W131 HydrophobicContact CD2-CZ3 4.33Å; L129-W131 HydrophobicContact CG-CE3 4.12Å; L129-W131 HydrophobicContact CG-CZ3 4.22Å; L129-W131 VanDerWaalsContact O-CZ3 3.28Å; L129-W131 WeakPolarHBondContact O-CZ3 3.09Å; W131-I145 HydrophobicContact CZ2-CG2 3.95Å; W131-A147 HydrophobicContact CH2-CB 4.28Å; W131-T160 HydrophobicContact CH2-CG2 3.79Å; W131-T160 HydrophobicContact CZ2-CG2 3.68Å; W131-H162 WeakPolarHBondContact CZ2-O 3.02Å; W131-N163 PolarHBondContact N-O 2.82Å; W131-N163 WeakPolarHBondContact O-CB 3.5Å; W131-Y164 WeakPolarHBondContact CH2-O 3.04Å; W131-Y165 VanDerWaalsContact CZ3-N 3.33Å; W131-V180 HydrophobicContact CB-CG2 4.47Å; W131-V180 HydrophobicContact CD2-CB 4.49Å; W131-V180 HydrophobicContact CD2-CG1 4.32Å; W131-V180 HydrophobicContact CD2-CG2 3.51Å; W131-V180 HydrophobicContact CE3-CG2 3.4Å; W131-V180 HydrophobicContact CG-CG2 4Å; W131-V180 HydrophobicContact CH2-CG2 4.18Å; W131-V180 HydrophobicContact CZ2-CG1 4.23Å; W131-V180 HydrophobicContact CZ2-CG2 4.28Å; W131-V180 HydrophobicContact CZ3-CG2 3.75Å
132T90.9Very high73.8Confident65 Ų6556 Ų5640%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-116.6143.4167.952.80000108.2A111 R112 N113A111-T132 CarbonylContact C-O 3.58Å; A111-T132 WeakPolarHBondContact CA-O 3.41Å; R112-T132 PolarHBondContact N-O 2.92Å; R112-T132 PolarHBondContact O-N 3.42Å; R112-T132 PolarHBondContact O-OG1 2.96Å; N113-T132 PolarHBondContact ND2-OG1 2.89Å; N113-T132 VanDerWaalsContact ND2-OG1 3.07Å
133L86.3Confident75.1Confident35 Ų3553.8 Ų53.818%0.18330%0.301CS..EExtended strand (participates in β ladder)trans-101.2121.1173.6-78.4161.7000108.8P109 A111 T135 I145 V182P109-L133 HydrophobicContact CB-CD2 4.2Å; A111-L133 HydrophobicContact CB-CD2 4.25Å; L133-T135 HydrophobicContact CB-CG2 4.5Å; L133-T135 PolarHBondContact O-N 3.12Å; L133-I145 HydrophobicContact CD1-CD1 3.39Å; L133-I145 HydrophobicContact CD1-CG1 4.07Å; L133-V182 HydrophobicContact CD2-CG2 4.21Å
134N76.5Confident76.4Confident45 Ų4550.8 Ų50.824%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-78.7104.5170.4-172.916.5000108.8V110 N136V110-N134 PolarHBondContact O-N 2.88Å; N134-N136 WeakPolarHBondContact OD1-CB 3.4Å; N134-N136 PolarHBondContact OD1-N 3.18Å; N134-N136 PolarHBondContact OD1-ND2 3.18Å; N134-N136 PolarHBondContact OD1-OD1 2.69Å
135T69.4Low77.5Confident101 Ų10149.4 Ų49.462%0.6227%0.274SS*.  trans-96.614.3176.353.10000112.7L133 G137 G138L133-T135 HydrophobicContact CB-CG2 4.5Å; L133-T135 PolarHBondContact O-N 3.12Å; T135-G137 PolarHBondContact O-N 2.91Å; T135-G138 PolarHBondContact O-N 3.14Å
136N54.9Low78.3Confident147 Ų14746 Ų4679%0.78626%0.262SS*.THydrogen-bonded Turntrans-60.612.8-172.7-76.81000116.9N134N134-N136 WeakPolarHBondContact OD1-CB 3.4Å; N134-N136 PolarHBondContact OD1-N 3.18Å; N134-N136 PolarHBondContact OD1-ND2 3.18Å; N134-N136 PolarHBondContact OD1-OD1 2.69Å
137G54.1Low78.8Confident31 Ų3145.5 Ų45.532%0.3226%0.259SS..THydrogen-bonded Turntrans-112.7-4.8177.600000115.9T135 I139T135-G137 PolarHBondContact O-N 2.91Å; G137-I139 WeakPolarHBondContact O-CG1 3.41Å; G137-I139 PolarHBondContact O-N 2.99Å
138G55.5Low79.2Confident44 Ų4445.6 Ų45.645%0.45426%0.259SS..  trans62.613.2-176.500000114.4T135 L140T135-G138 PolarHBondContact O-N 3.14Å; G138-L140 PolarHBondContact O-N 2.98Å; G138-L140 VanDerWaalsContact O-N 3.16Å
139I57.9Low79.3Confident30 Ų3042.7 Ų42.715%0.15425%0.25CC..  trans-81.1104.4-174.7-64.7139.6000108.8L103 Y107 G137 C141L103-I139 HydrophobicContact CD1-CG2 4.45Å; L103-I139 HydrophobicContact CD2-CG2 4.49Å; Y107-I139 HydrophobicContact CD1-CD1 3.8Å; Y107-I139 HydrophobicContact CG-CD1 4.31Å; Y107-I139 WeakPolarHBondContact O-CB 3.21Å; Y107-I139 WeakPolarHBondContact O-CD1 3.25Å; Y107-I139 WeakPolarHBondContact O-CG2 3.15Å; G137-I139 WeakPolarHBondContact O-CG1 3.41Å; G137-I139 PolarHBondContact O-N 2.99Å; I139-C141 VanDerWaalsContact C-N 3.28Å; I139-C141 PolarHBondContact O-N 2.86Å
140L63.5Low79.4Confident118 Ų11844.9 Ų44.962%0.61826%0.26SS*.  trans-84.34.6-172.5-85153.1000113.5S74 G138S74-L140 VanDerWaalsContact CB-CD1 3.44Å; G138-L140 PolarHBondContact O-N 2.98Å; G138-L140 VanDerWaalsContact O-N 3.16Å
141C69.7Low79.2Confident3 Ų344.1 Ų44.12%0.0226%0.256CS..  trans-68.6138.4-172.7-68.60000115L73 C76 L103 I139 H143L73-C141 PolarHBondContact O-SG 3.13Å; C76-C141 WeakPolarHBondContact CA-SG 3.48Å; C76-C141 HydrophobicContact CB-CB 4.03Å; C76-C141 WeakPolarHBondContact CB-SG 3.29Å; C76-C141 WeakPolarHBondContact SG-CA 3.47Å; C76-C141 WeakPolarHBondContact SG-CB 3.38Å; C76-C141 CovalentContact SG-SG 2.06Å; C76-C141 PolarHBondContact SG-SG 3.35Å; L103-C141 HydrophobicContact CD1-CB 3.77Å; L103-C141 WeakPolarHBondContact CD1-SG 3.15Å; I139-C141 VanDerWaalsContact C-N 3.28Å; I139-C141 PolarHBondContact O-N 2.86Å; C141-H143 PolarHBondContact O-N 2.75Å; C141-H143 VanDerWaalsContact O-N 3.07Å; C141-H143 PolarHBondContact O-ND1 3.07Å
142P76.1Confident78.4Confident69 Ų6951.7 Ų51.745%0.44830%0.298SS..  trans-56.6120.8-176.1-23.332.2000109.6C76 L185C76-P142 VanDerWaalsContact SG-CD 3.55Å; P142-L185 HydrophobicContact CB-CB 4.12Å; P142-L185 HydrophobicContact CB-CD1 3.62Å; P142-L185 HydrophobicContact CB-CG 4.29Å; P142-L185 VanDerWaalsContact O-CB 3.25Å; P142-L185 WeakPolarHBondContact O-CB 3.48Å; P142-L185 WeakPolarHBondContact O-CG 3.37Å; P142-L185 PolarHBondContact O-N 2.61Å
143H81.7Confident77.8Confident63 Ų6355.4 Ų55.429%0.29232%0.315SS..EExtended strand (participates in β ladder)trans-134.8161.4179.560.4-84.4000109.4L108 C141 V182 R183L108-H143 HydrophobicContact CD2-CB 4.43Å; C141-H143 PolarHBondContact O-N 2.75Å; C141-H143 VanDerWaalsContact O-N 3.07Å; C141-H143 PolarHBondContact O-ND1 3.07Å; H143-V182 HydrophobicContact CB-CG1 3.88Å; H143-R183 CarbonylContact C-O 3.54Å; H143-R183 VanDerWaalsContact CA-O 3.25Å; H143-R183 WeakPolarHBondContact CA-O 3.17Å; H143-R183 WeakPolarHBondContact CB-O 3.05Å
144K88.4Confident77.8Confident61 Ų6158.7 Ų58.727%0.26533%0.328SS..EExtended strand (participates in β ladder)trans-118.3138.2171.3-71.8-178.5171.4-145.40109.5E159 V182 R183 L185K144-E159 HydrophobicContact CD-CG 4.46Å; K144-E159 WeakPolarHBondContact CD-OE1 3.25Å; K144-E159 WeakPolarHBondContact CE-OE1 3.22Å; K144-E159 IonicContact NZ-OE1 3.55Å; K144-E159 PolarHBondContact NZ-OE1 2.93Å; K144-E159 IonicContact NZ-OE2 3.15Å; K144-E159 PolarHBondContact NZ-OE2 2.8Å; K144-V182 CarbonylContact O-C 3.54Å; K144-V182 WeakPolarHBondContact O-CA 3.39Å; K144-R183 PolarHBondContact N-O 2.96Å; K144-R183 PolarHBondContact O-N 2.83Å; K144-L185 HydrophobicContact CD-CD2 3.77Å; K144-L185 HydrophobicContact CG-CD1 4.36Å; K144-L185 HydrophobicContact CG-CD2 3.86Å; K144-L185 HydrophobicContact CG-CG 4.31Å
145I89.9Confident78.4Confident18 Ų1860.1 Ų60.19%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-94.7126.5170.9-57.7147.3000106.9W131 L133 T160 V180 V182W131-I145 HydrophobicContact CZ2-CG2 3.95Å; L133-I145 HydrophobicContact CD1-CD1 3.39Å; L133-I145 HydrophobicContact CD1-CG1 4.07Å; I145-T160 HydrophobicContact CB-CG2 4.29Å; I145-T160 HydrophobicContact CG2-CG2 3.87Å; I145-T160 PolarHBondContact O-N 2.95Å; I145-V180 HydrophobicContact CG2-CG1 3.61Å; I145-V182 HydrophobicContact CG1-CG2 4.37Å
146L93Very high79.4Confident10 Ų1056.7 Ų56.75%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-119.3115.5-178.5-59.2171.9000107.7Y158 E159 V180 A181 R183 Y190L146-Y158 CarbonylContact C-O 3.47Å; L146-Y158 WeakPolarHBondContact CA-O 3.1Å; L146-E159 HydrophobicContact CD2-CB 3.99Å; L146-E159 HydrophobicContact CD2-CG 4.45Å; L146-V180 CarbonylContact O-C 3.55Å; L146-V180 WeakPolarHBondContact O-CA 3.37Å; L146-A181 PolarHBondContact N-O 2.85Å; L146-A181 PolarHBondContact O-N 2.77Å; L146-R183 HydrophobicContact CD1-CB 3.99Å; L146-Y190 HydrophobicContact CD1-CE1 3.65Å
147A93.4Very high81.2Confident0 Ų053.3 Ų53.30%029%0.289CS..EExtended strand (participates in β ladder)trans-77.7141.5161.700000108.1W131 E157 Y158 Y165 F167 G179W131-A147 HydrophobicContact CH2-CB 4.28Å; A147-E157 CarbonylContact O-C 3.55Å; A147-Y158 PolarHBondContact N-O 2.9Å; A147-Y158 PolarHBondContact O-N 2.74Å; A147-Y165 VanDerWaalsContact CB-CB 3.45Å; A147-Y165 HydrophobicContact CB-CD1 3.87Å; A147-Y165 HydrophobicContact CB-CD2 4.07Å; A147-Y165 HydrophobicContact CB-CG 3.51Å; A147-F167 HydrophobicContact CB-CZ 4.13Å; A147-G179 CarbonylContact C-O 3.46Å; A147-G179 WeakPolarHBondContact CA-O 3.27Å
148F93.7Very high83.1Confident1 Ų155.6 Ų55.60%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-133.4149.4178.167.7-98000112.4E150 C156 E157 F167 L178 G179 A181 E193 F195F148-E150 HydrophobicContact CD2-CB 4.34Å; F148-C156 CarbonylContact C-O 3.52Å; F148-C156 WeakPolarHBondContact CA-O 3.32Å; F148-C156 WeakPolarHBondContact CB-O 3.07Å; F148-E157 HydrophobicContact CB-CG 4.2Å; F148-F167 WeakPolarHBondContact O-CZ 3.28Å; F148-L178 WeakPolarHBondContact O-CA 3.41Å; F148-G179 VanDerWaalsContact CD1-C 3.41Å; F148-G179 WeakPolarHBondContact CD1-O 3.42Å; F148-G179 PolarHBondContact N-O 2.83Å; F148-G179 PolarHBondContact O-N 2.79Å; F148-A181 HydrophobicContact CD1-CB 4.28Å; F148-A181 HydrophobicContact CE1-CB 4.26Å; F148-E193 HydrophobicContact CE1-CB 4.19Å; F148-E193 HydrophobicContact CE1-CG 4.49Å; F148-E193 HydrophobicContact CZ-CB 4.26Å; F148-F195 HydrophobicContact CE2-CB 4.3Å; F148-F195 HydrophobicContact CZ-CB 3.96Å
149S93.3Very high84.9Confident9 Ų958.6 Ų58.66%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-120.6128.7165600000109.1R155 C156S149-R155 CarbonylContact O-C 3.5Å; S149-R155 WeakPolarHBondContact O-CA 3.43Å; S149-C156 PolarHBondContact N-O 3.33Å; S149-C156 PolarHBondContact O-N 3.41Å
150E92.3Very high86.4Confident46 Ų4657.8 Ų57.822%0.21529%0.288CS..EExtended strand (participates in β ladder)trans-128.3126.4-178.4177.8-173.9136.500109.3F148 K154 R155 Y176 K177F148-E150 HydrophobicContact CD2-CB 4.34Å; E150-K154 CarbonylContact C-O 3.58Å; E150-K154 WeakPolarHBondContact CA-O 3.33Å; E150-R155 HydrophobicContact CB-CB 4.37Å; E150-R155 HydrophobicContact CB-CG 4.29Å; E150-R155 HydrophobicContact CG-CB 4.33Å; E150-R155 IonicContact OE2-NH1 2.65Å; E150-R155 PolarHBondContact OE2-NH1 2.92Å; E150-Y176 CarbonylContact O-C 3.56Å; E150-Y176 VanDerWaalsContact O-CA 3.27Å; E150-Y176 WeakPolarHBondContact O-CA 3.38Å; E150-K177 HydrophobicContact CB-CB 4.2Å; E150-K177 PolarHBondContact N-O 3.05Å; E150-K177 PolarHBondContact O-N 3.45Å; E150-K177 IonicContact OE1-NZ 3.55Å; E150-K177 PolarHBondContact OE1-NZ 2.96Å
151T88.4Confident87.6Confident20 Ų2060.5 Ų60.512%0.12330%0.297CS..EExtended strand (participates in β ladder)trans-114.7168.9166.158.60000108.1D153 K154 K174 Y176T151-D153 PolarHBondContact O-N 2.83Å; T151-K154 PolarHBondContact N-O 3.34Å; T151-K154 PolarHBondContact O-N 2.84Å; T151-K154 PolarHBondContact OG1-O 2.84Å; T151-K174 HydrophobicContact CG2-CD 4.12Å; T151-Y176 HydrophobicContact CG2-CD1 3.28Å; T151-Y176 HydrophobicContact CG2-CD2 4.47Å; T151-Y176 HydrophobicContact CG2-CE1 3.13Å; T151-Y176 HydrophobicContact CG2-CE2 4.36Å; T151-Y176 HydrophobicContact CG2-CG 3.96Å
152D78.6Confident88.5Confident169 Ų16965.2 Ų65.290%0.90432%0.319SS*.THydrogen-bonded Turntrans-48.1-35.4-179.4-60.7-26.4000114
153D78.1Confident89.2Confident144 Ų14466.2 Ų66.277%0.7732%0.32SS*.THydrogen-bonded Turntrans-99.2-10.8-175.8-51.5-49.4000115.1T151T151-D153 PolarHBondContact O-N 2.83Å
154K85.8Confident89.7Confident104 Ų10467.6 Ų67.645%0.45232%0.323SS..EExtended strand (participates in β ladder)trans-159.7134.9-164.5-167.1178.8-176.6-173.20113.3E150 T151 C156E150-K154 CarbonylContact C-O 3.58Å; E150-K154 WeakPolarHBondContact CA-O 3.33Å; T151-K154 PolarHBondContact N-O 3.34Å; T151-K154 PolarHBondContact O-N 2.84Å; T151-K154 PolarHBondContact OG1-O 2.84Å; K154-C156 VanDerWaalsContact CE-SG 3.52Å
155R89.9Confident90Very high74 Ų7467.4 Ų67.428%0.27932%0.322SS..EExtended strand (participates in β ladder)trans-113.3133.4165.7-176.3171.5173.1123.1-11.2110.7S149 E150 E157 E193S149-R155 CarbonylContact O-C 3.5Å; S149-R155 WeakPolarHBondContact O-CA 3.43Å; E150-R155 HydrophobicContact CB-CB 4.37Å; E150-R155 HydrophobicContact CB-CG 4.29Å; E150-R155 HydrophobicContact CG-CB 4.33Å; E150-R155 IonicContact OE2-NH1 2.65Å; E150-R155 PolarHBondContact OE2-NH1 2.92Å; R155-E157 HydrophobicContact CG-CG 4.36Å; R155-E157 IonicContact CZ-OE1 3.35Å; R155-E157 IonicContact NE-OE1 3.51Å; R155-E157 PolarHBondContact NE-OE1 2.95Å; R155-E157 IonicContact NH2-OE1 2.9Å; R155-E157 PolarHBondContact NH2-OE1 3.21Å; R155-E193 IonicContact CZ-OE1 2.78Å; R155-E193 IonicContact CZ-OE2 2.91Å; R155-E193 IonicContact NH1-OE1 2.79Å; R155-E193 IonicContact NH1-OE2 2.61Å; R155-E193 PolarHBondContact NH1-OE2 2.65Å; R155-E193 VanDerWaalsContact NH2-CD 3.32Å; R155-E193 IonicContact NH2-OE1 2.65Å; R155-E193 PolarHBondContact NH2-OE1 3.42Å; R155-E193 IonicContact NH2-OE2 3.08Å; R155-E193 PolarHBondContact NH2-OE2 2.95Å
156C90.3Very high90.1Very high30 Ų3069.5 Ų69.520%0.20333%0.331CS..EExtended strand (participates in β ladder)trans-119.7130.4173-65.40000108.7F148 S149 K154 Y158F148-C156 CarbonylContact C-O 3.52Å; F148-C156 WeakPolarHBondContact CA-O 3.32Å; F148-C156 WeakPolarHBondContact CB-O 3.07Å; S149-C156 PolarHBondContact N-O 3.33Å; S149-C156 PolarHBondContact O-N 3.41Å; K154-C156 VanDerWaalsContact CE-SG 3.52Å; C156-Y158 HydrophobicContact CB-CE2 3.55Å; C156-Y158 WeakPolarHBondContact CB-OH 3.32Å
157E92.6Very high89.8Confident75 Ų7569.2 Ų69.235%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-115.2138.6177.4-57.6-169.1159.400110.3A147 F148 R155 Y190A147-E157 CarbonylContact O-C 3.55Å; F148-E157 HydrophobicContact CB-CG 4.2Å; R155-E157 HydrophobicContact CG-CG 4.36Å; R155-E157 IonicContact CZ-OE1 3.35Å; R155-E157 IonicContact NE-OE1 3.51Å; R155-E157 PolarHBondContact NE-OE1 2.95Å; R155-E157 IonicContact NH2-OE1 2.9Å; R155-E157 PolarHBondContact NH2-OE1 3.21Å; E157-Y190 PolarHBondContact OE2-OH 2.65Å
158Y93.1Very high89.3Confident80 Ų8073.8 Ų73.831%0.31435%0.354SS..EExtended strand (participates in β ladder)trans-132.5116.6-173.7-52.2-86.9000109.4L146 A147 C156 Y165 F167L146-Y158 CarbonylContact C-O 3.47Å; L146-Y158 WeakPolarHBondContact CA-O 3.1Å; A147-Y158 PolarHBondContact N-O 2.9Å; A147-Y158 PolarHBondContact O-N 2.74Å; C156-Y158 HydrophobicContact CB-CE2 3.55Å; C156-Y158 WeakPolarHBondContact CB-OH 3.32Å; Y158-Y165 WeakPolarHBondContact CB-OH 3.46Å; Y158-Y165 HydrophobicContact CD1-CE1 4.23Å; Y158-Y165 AromaticContact CD1-CZ 3.8Å; Y158-Y165 WeakPolarHBondContact CD1-OH 3.4Å; Y158-Y165 AromaticContact CD2-CE1 3.81Å; Y158-Y165 HydrophobicContact CD2-CE1 3.81Å; Y158-Y165 HydrophobicContact CE2-CE1 4.41Å; Y158-Y165 AromaticContact CG-CE1 3.7Å; Y158-Y165 HydrophobicContact CG-CE1 3.7Å; Y158-Y165 HydrophobicContact CG-CE2 4.26Å; Y158-Y165 AromaticContact CG-CZ 3.48Å; Y158-Y165 VanDerWaalsContact CG-CZ 3.48Å; Y158-Y165 VanDerWaalsContact CG-OH 3.24Å; Y158-F167 HydrophobicContact CD2-CD1 4.48Å; Y158-F167 AromaticContact CD2-CE1 3.79Å; Y158-F167 HydrophobicContact CD2-CE1 3.79Å; Y158-F167 HydrophobicContact CE2-CD1 4.12Å; Y158-F167 AromaticContact CE2-CE1 3.7Å; Y158-F167 HydrophobicContact CE2-CE1 3.7Å
159E92.9Very high88.4Confident107 Ų10779.9 Ų79.950%0.539%0.386SS..EExtended strand (participates in β ladder)trans-69.8134.8176.1-172.9171.9170.800110.8K144 L146K144-E159 HydrophobicContact CD-CG 4.46Å; K144-E159 WeakPolarHBondContact CD-OE1 3.25Å; K144-E159 WeakPolarHBondContact CE-OE1 3.22Å; K144-E159 IonicContact NZ-OE1 3.55Å; K144-E159 PolarHBondContact NZ-OE1 2.93Å; K144-E159 IonicContact NZ-OE2 3.15Å; K144-E159 PolarHBondContact NZ-OE2 2.8Å; L146-E159 HydrophobicContact CD2-CB 3.99Å; L146-E159 HydrophobicContact CD2-CG 4.45Å
160T90.3Very high87.9Confident13 Ų1379.9 Ų79.98%0.0839%0.385CS..EExtended strand (participates in β ladder)trans-141.6147.3-179.9-178.10000110.6W131 I145 H162 Y164W131-T160 HydrophobicContact CH2-CG2 3.79Å; W131-T160 HydrophobicContact CZ2-CG2 3.68Å; I145-T160 HydrophobicContact CB-CG2 4.29Å; I145-T160 HydrophobicContact CG2-CG2 3.87Å; I145-T160 PolarHBondContact O-N 2.95Å; T160-H162 PolarHBondContact OG1-N 2.9Å; T160-H162 VanDerWaalsContact OG1-N 3.11Å; T160-H162 PolarHBondContact OG1-O 3.02Å; T160-Y164 PolarHBondContact OG1-O 2.9Å
161Q87.8Confident87.4Confident174 Ų17482.5 Ų82.581%0.81340%0.397SS*.SBendtrans-105.91.1171.3-63.8-177.9-11.200111.8
162H90Very high86.9Confident103 Ų10385 Ų8548%0.47741%0.409SS..SBendtrans-103.8159.8-177.3-55.3-53.3000110.6W131 T160 Y164W131-H162 WeakPolarHBondContact CZ2-O 3.02Å; T160-H162 PolarHBondContact OG1-N 2.9Å; T160-H162 VanDerWaalsContact OG1-N 3.11Å; T160-H162 PolarHBondContact OG1-O 3.02Å; H162-Y164 HydrophobicContact CB-CD1 3.83Å; H162-Y164 HydrophobicContact CB-CE1 3.75Å; H162-Y164 HydrophobicContact CB-CG 4.45Å; H162-Y164 PolarHBondContact O-N 3.03Å; H162-Y164 VanDerWaalsContact O-N 3.14Å
163N90.6Very high86.7Confident89 Ų8981.4 Ų81.448%0.47639%0.39SS..SBendtrans-79.919.1172.5-68.5-17.9000112.9W131W131-N163 PolarHBondContact N-O 2.82Å; W131-N163 WeakPolarHBondContact O-CB 3.5Å
164Y92.2Very high86.9Confident92 Ų9277.5 Ų77.536%0.36137%0.366SS..EExtended strand (participates in β ladder)trans-150.4161.417671-87.6000110.6R128 L129 N130 W131 T160 H162 E166R128-Y164 HydrophobicContact CG-CD2 4Å; R128-Y164 HydrophobicContact CG-CG 4.41Å; L129-Y164 CarbonylContact O-C 3.54Å; L129-Y164 WeakPolarHBondContact O-CA 3.42Å; L129-Y164 WeakPolarHBondContact O-CB 3.38Å; N130-Y164 VanDerWaalsContact OD1-CB 3.29Å; N130-Y164 WeakPolarHBondContact OD1-CB 3.2Å; W131-Y164 WeakPolarHBondContact CH2-O 3.04Å; T160-Y164 PolarHBondContact OG1-O 2.9Å; H162-Y164 HydrophobicContact CB-CD1 3.83Å; H162-Y164 HydrophobicContact CB-CE1 3.75Å; H162-Y164 HydrophobicContact CB-CG 4.45Å; H162-Y164 PolarHBondContact O-N 3.03Å; H162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-E166 HydrophobicContact CD2-CG 4.31Å; Y164-E166 HydrophobicContact CE2-CG 4.35Å
165Y93.5Very high87Confident57 Ų5775.8 Ų75.822%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-142.5136.8169.5-167.2-99.9000110L129 W131 A147 Y158 F167L129-Y165 PolarHBondContact N-O 2.91Å; L129-Y165 PolarHBondContact O-N 2.93Å; W131-Y165 VanDerWaalsContact CZ3-N 3.33Å; A147-Y165 VanDerWaalsContact CB-CB 3.45Å; A147-Y165 HydrophobicContact CB-CD1 3.87Å; A147-Y165 HydrophobicContact CB-CD2 4.07Å; A147-Y165 HydrophobicContact CB-CG 3.51Å; Y158-Y165 WeakPolarHBondContact CB-OH 3.46Å; Y158-Y165 HydrophobicContact CD1-CE1 4.23Å; Y158-Y165 AromaticContact CD1-CZ 3.8Å; Y158-Y165 WeakPolarHBondContact CD1-OH 3.4Å; Y158-Y165 AromaticContact CD2-CE1 3.81Å; Y158-Y165 HydrophobicContact CD2-CE1 3.81Å; Y158-Y165 HydrophobicContact CE2-CE1 4.41Å; Y158-Y165 AromaticContact CG-CE1 3.7Å; Y158-Y165 HydrophobicContact CG-CE1 3.7Å; Y158-Y165 HydrophobicContact CG-CE2 4.26Å; Y158-Y165 AromaticContact CG-CZ 3.48Å; Y158-Y165 VanDerWaalsContact CG-CZ 3.48Å; Y158-Y165 VanDerWaalsContact CG-OH 3.24Å; Y165-F167 AromaticContact CD1-CD1 3.88Å; Y165-F167 HydrophobicContact CD1-CD1 3.88Å; Y165-F167 HydrophobicContact CD1-CD2 4.05Å; Y165-F167 AromaticContact CD1-CE1 3.72Å; Y165-F167 HydrophobicContact CD1-CE1 3.72Å; Y165-F167 AromaticContact CD1-CE2 3.9Å; Y165-F167 HydrophobicContact CD1-CE2 3.9Å; Y165-F167 HydrophobicContact CD1-CG 4.05Å; Y165-F167 AromaticContact CD1-CZ 3.74Å; Y165-F167 HydrophobicContact CD1-CZ 3.74Å; Y165-F167 AromaticContact CE1-CD1 3.85Å; Y165-F167 HydrophobicContact CE1-CD1 3.85Å; Y165-F167 AromaticContact CE1-CE1 3.86Å; Y165-F167 HydrophobicContact CE1-CE1 3.86Å; Y165-F167 HydrophobicContact CE1-CG 4.32Å; Y165-F167 HydrophobicContact CE1-CZ 4.34Å
166E91.6Very high87Confident63 Ų6372.9 Ų72.929%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-97.1115.3175.4-64.2-171.4171.300109.2I127 R128 Y164 D168I127-E166 WeakPolarHBondContact O-CA 3.23Å; R128-E166 HydrophobicContact CB-CG 4.21Å; R128-E166 HydrophobicContact CG-CG 4.02Å; R128-E166 IonicContact CZ-OE1 3.83Å; R128-E166 IonicContact NE-OE1 3.48Å; R128-E166 PolarHBondContact NE-OE1 2.87Å; R128-E166 IonicContact NH2-OE1 2.83Å; R128-E166 PolarHBondContact NH2-OE1 2.78Å; Y164-E166 HydrophobicContact CD2-CG 4.31Å; Y164-E166 HydrophobicContact CE2-CG 4.35Å; E166-D168 PolarHBondContact O-N 2.77Å
167F88.5Confident87.1Confident4 Ų475.4 Ų75.42%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-88.4106.1170.8-66.9-81.1000108T126 I127 L129 A147 F148 Y158 Y165 L170 L178T126-F167 WeakPolarHBondContact CA-O 3.4Å; I127-F167 HydrophobicContact CD1-CD2 4.43Å; I127-F167 HydrophobicContact CG1-CB 3.96Å; I127-F167 HydrophobicContact CG1-CD2 4.32Å; I127-F167 PolarHBondContact N-O 2.85Å; I127-F167 VanDerWaalsContact N-O 3.17Å; I127-F167 PolarHBondContact O-N 3.01Å; L129-F167 HydrophobicContact CB-CD2 4.34Å; L129-F167 HydrophobicContact CB-CE2 3.91Å; L129-F167 HydrophobicContact CD2-CE2 4.03Å; A147-F167 HydrophobicContact CB-CZ 4.13Å; F148-F167 WeakPolarHBondContact O-CZ 3.28Å; Y158-F167 HydrophobicContact CD2-CD1 4.48Å; Y158-F167 AromaticContact CD2-CE1 3.79Å; Y158-F167 HydrophobicContact CD2-CE1 3.79Å; Y158-F167 HydrophobicContact CE2-CD1 4.12Å; Y158-F167 AromaticContact CE2-CE1 3.7Å; Y158-F167 HydrophobicContact CE2-CE1 3.7Å; Y165-F167 AromaticContact CD1-CD1 3.88Å; Y165-F167 HydrophobicContact CD1-CD1 3.88Å; Y165-F167 HydrophobicContact CD1-CD2 4.05Å; Y165-F167 AromaticContact CD1-CE1 3.72Å; Y165-F167 HydrophobicContact CD1-CE1 3.72Å; Y165-F167 AromaticContact CD1-CE2 3.9Å; Y165-F167 HydrophobicContact CD1-CE2 3.9Å; Y165-F167 HydrophobicContact CD1-CG 4.05Å; Y165-F167 AromaticContact CD1-CZ 3.74Å; Y165-F167 HydrophobicContact CD1-CZ 3.74Å; Y165-F167 AromaticContact CE1-CD1 3.85Å; Y165-F167 HydrophobicContact CE1-CD1 3.85Å; Y165-F167 AromaticContact CE1-CE1 3.86Å; Y165-F167 HydrophobicContact CE1-CE1 3.86Å; Y165-F167 HydrophobicContact CE1-CG 4.32Å; Y165-F167 HydrophobicContact CE1-CZ 4.34Å; F167-L170 HydrophobicContact CB-CD1 4.37Å; F167-L170 HydrophobicContact CB-CD2 4.05Å; F167-L170 HydrophobicContact CB-CG 4.15Å; F167-L178 HydrophobicContact CD2-CD2 4.34Å; F167-L178 HydrophobicContact CE2-CB 4.49Å; F167-L178 HydrophobicContact CE2-CD2 4.22Å; F167-L178 HydrophobicContact CZ-CD2 4.32Å
168D82.2Confident87.1Confident96 Ų9671.8 Ų71.851%0.51335%0.345SS..  trans-89.7142.2170.4-70.6-39.5000110.8T126 E166T126-D168 WeakPolarHBondContact CG2-OD1 3.28Å; T126-D168 PolarHBondContact OG1-OD1 2.9Å; E166-D168 PolarHBondContact O-N 2.77Å
169L74.5Confident87.1Confident128 Ų12868 Ų6867%0.6733%0.33SS*.  trans66.435.7169.6-54.8165.4000115.3R125 E171R125-L169 PolarHBondContact O-N 2.84Å; L169-E171 PolarHBondContact O-N 2.72Å
170L83.6Confident87.1Confident9 Ų963 Ų635%0.04731%0.306CS..PPolyproline II helixtrans-52.5138.4166.5-61.4178.7000109.7R125 I127 F167 Y176 Y198 T200R125-L170 VanDerWaalsContact CG-O 3.25Å; R125-L170 WeakPolarHBondContact CG-O 3.01Å; R125-L170 PolarHBondContact NE-O 3.02Å; R125-L170 PolarHBondContact O-N 2.85Å; I127-L170 HydrophobicContact CD1-CD1 3.6Å; I127-L170 HydrophobicContact CG1-CD1 3.92Å; F167-L170 HydrophobicContact CB-CD1 4.37Å; F167-L170 HydrophobicContact CB-CD2 4.05Å; F167-L170 HydrophobicContact CB-CG 4.15Å; L170-Y176 HydrophobicContact CB-CE2 3.97Å; L170-Y176 HydrophobicContact CD1-CD2 4.42Å; L170-Y176 HydrophobicContact CD2-CD1 4.03Å; L170-Y176 HydrophobicContact CD2-CE1 3.77Å; L170-Y176 HydrophobicContact CD2-CE2 4.33Å; L170-Y176 HydrophobicContact CD2-CG 4.43Å; L170-Y198 HydrophobicContact CD1-CD1 3.81Å; L170-Y198 HydrophobicContact CD1-CE1 3.74Å; L170-T200 HydrophobicContact CB-CG2 3.63Å; L170-T200 HydrophobicContact CD1-CG2 4.14Å
171E80.5Confident87.2Confident101 Ų10162.4 Ų62.447%0.47230%0.303SS..PPolyproline II helixtrans-69.8143.7-179.4-59.7174.5-172.800109.1L169 K174 Y176 T200L169-E171 PolarHBondContact O-N 2.72Å; E171-K174 HydrophobicContact CB-CD 4.13Å; E171-K174 HydrophobicContact CB-CG 4.48Å; E171-K174 WeakPolarHBondContact OE2-CD 3.38Å; E171-K174 WeakPolarHBondContact OE2-CE 3.37Å; E171-K174 IonicContact OE2-NZ 2.74Å; E171-K174 PolarHBondContact OE2-NZ 3.49Å; E171-Y176 WeakPolarHBondContact CA-OH 3.11Å; E171-Y176 VanDerWaalsContact CB-OH 3.31Å; E171-Y176 WeakPolarHBondContact CB-OH 3.33Å; E171-Y176 PolarHBondContact N-OH 3.29Å; E171-T200 VanDerWaalsContact O-CB 3.22Å; E171-T200 WeakPolarHBondContact O-CB 3.03Å; E171-T200 WeakPolarHBondContact O-CG2 3.2Å; E171-T200 PolarHBondContact O-OG1 2.84Å
172L77.6Confident87.2Confident72 Ų7254.2 Ų54.238%0.37727%0.265SS..THydrogen-bonded Turntrans-69.2152.6178.8-72.3169.6000111.1R125 K174 Q202R125-L172 HydrophobicContact CG-CD2 3.74Å; R125-L172 HydrophobicContact CG-CG 4.23Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.87Å; L172-Q202 HydrophobicContact CD2-CG 4.36Å
173N75.2Confident87Confident95 Ų9552.3 Ų52.351%0.50825%0.253SS..THydrogen-bonded Turntrans59.337.3174.1-56.5-35000114.4T200 Y201N173-T200 PolarHBondContact N-O 2.91Å; N173-T200 PolarHBondContact N-OG1 3.02Å; N173-Y201 VanDerWaalsContact CA-CD1 3.47Å; N173-Y201 HydrophobicContact CB-CD1 3.82Å; N173-Y201 HydrophobicContact CB-CE1 3.77Å; N173-Y201 WeakPolarHBondContact O-CE1 3.46Å; N173-Y201 PolarHBondContact O-OH 2.79Å
174K83.5Confident86.6Confident61 Ų6148.1 Ų48.127%0.26523%0.231SC..  trans-123.8154.2174.5-72.8-160.6171.5-179.30111.3T151 E171 L172 Y176 T200T151-K174 HydrophobicContact CG2-CD 4.12Å; E171-K174 HydrophobicContact CB-CD 4.13Å; E171-K174 HydrophobicContact CB-CG 4.48Å; E171-K174 WeakPolarHBondContact OE2-CD 3.38Å; E171-K174 WeakPolarHBondContact OE2-CE 3.37Å; E171-K174 IonicContact OE2-NZ 2.74Å; E171-K174 PolarHBondContact OE2-NZ 3.49Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.87Å; K174-Y176 HydrophobicContact CB-CD2 4.24Å; K174-Y176 HydrophobicContact CB-CE2 3.57Å; K174-T200 PolarHBondContact N-OG1 2.61Å; K174-T200 PolarHBondContact O-N 3.14Å; K174-T200 PolarHBondContact O-OG1 3.34Å; K174-T200 VanDerWaalsContact O-OG1 3.08Å
175T86.3Confident86Confident68 Ų6847.4 Ų47.442%0.41723%0.233SC..EExtended strand (participates in β ladder)trans-101.6132.4166.5-56.30000108.1Y201T175-Y201 WeakPolarHBondContact OG1-CE2 3.29Å
176Y89.6Confident85.1Confident13 Ų1346.7 Ų46.75%0.05123%0.232CC..EExtended strand (participates in β ladder)trans-116.6138.1179.5-68.3-92.2000109.3E150 T151 L170 E171 K174 L178 N197 Y198 T200E150-Y176 CarbonylContact O-C 3.56Å; E150-Y176 VanDerWaalsContact O-CA 3.27Å; E150-Y176 WeakPolarHBondContact O-CA 3.38Å; T151-Y176 HydrophobicContact CG2-CD1 3.28Å; T151-Y176 HydrophobicContact CG2-CD2 4.47Å; T151-Y176 HydrophobicContact CG2-CE1 3.13Å; T151-Y176 HydrophobicContact CG2-CE2 4.36Å; T151-Y176 HydrophobicContact CG2-CG 3.96Å; L170-Y176 HydrophobicContact CB-CE2 3.97Å; L170-Y176 HydrophobicContact CD1-CD2 4.42Å; L170-Y176 HydrophobicContact CD2-CD1 4.03Å; L170-Y176 HydrophobicContact CD2-CE1 3.77Å; L170-Y176 HydrophobicContact CD2-CE2 4.33Å; L170-Y176 HydrophobicContact CD2-CG 4.43Å; E171-Y176 WeakPolarHBondContact CA-OH 3.11Å; E171-Y176 VanDerWaalsContact CB-OH 3.31Å; E171-Y176 WeakPolarHBondContact CB-OH 3.33Å; E171-Y176 PolarHBondContact N-OH 3.29Å; K174-Y176 HydrophobicContact CB-CD2 4.24Å; K174-Y176 HydrophobicContact CB-CE2 3.57Å; Y176-L178 HydrophobicContact CD1-CD2 4.39Å; Y176-L178 HydrophobicContact CG-CD2 4.31Å; Y176-N197 CarbonylContact O-C 3.52Å; Y176-N197 WeakPolarHBondContact O-CA 3.41Å; Y176-Y198 PolarHBondContact N-O 3.13Å; Y176-Y198 PolarHBondContact O-N 3.11Å; Y176-T200 HydrophobicContact CD2-CG2 3.99Å; Y176-T200 HydrophobicContact CE2-CG2 3.64Å
177K92.7Very high84.2Confident83 Ų8346.4 Ų46.436%0.36123%0.232SC..EExtended strand (participates in β ladder)trans-86.9120.8150.7-64176-166159.40107.2E150 F195E150-K177 HydrophobicContact CB-CB 4.2Å; E150-K177 PolarHBondContact N-O 3.05Å; E150-K177 PolarHBondContact O-N 3.45Å; E150-K177 IonicContact OE1-NZ 3.55Å; E150-K177 PolarHBondContact OE1-NZ 2.96Å; K177-F195 HydrophobicContact CB-CD2 4.17Å; K177-F195 HydrophobicContact CD-CD2 4.31Å; K177-F195 HydrophobicContact CD-CE2 4.25Å; K177-F195 HydrophobicContact CG-CD2 4.1Å; K177-F195 HydrophobicContact CG-CE2 4.28Å
178L93Very high83.7Confident0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-114.3126177-56.6174.1000107.9I116 I127 L129 F148 F167 Y176 F195 V196 Y198I116-L178 HydrophobicContact CD1-CD1 4.25Å; I127-L178 HydrophobicContact CD1-CD1 3.11Å; I127-L178 HydrophobicContact CD1-CG 4.5Å; I127-L178 HydrophobicContact CG1-CD1 4.47Å; L129-L178 HydrophobicContact CD2-CB 4.41Å; F148-L178 WeakPolarHBondContact O-CA 3.41Å; F167-L178 HydrophobicContact CD2-CD2 4.34Å; F167-L178 HydrophobicContact CE2-CB 4.49Å; F167-L178 HydrophobicContact CE2-CD2 4.22Å; F167-L178 HydrophobicContact CZ-CD2 4.32Å; Y176-L178 HydrophobicContact CD1-CD2 4.39Å; Y176-L178 HydrophobicContact CG-CD2 4.31Å; L178-F195 CarbonylContact O-C 3.59Å; L178-F195 WeakPolarHBondContact O-CA 2.99Å; L178-F195 WeakPolarHBondContact O-CB 3.31Å; L178-V196 HydrophobicContact CB-CG2 4.22Å; L178-V196 PolarHBondContact N-O 2.84Å; L178-V196 WeakPolarHBondContact O-CG2 3.49Å; L178-V196 PolarHBondContact O-N 3.36Å; L178-Y198 VanDerWaalsContact CD1-CB 3.43Å; L178-Y198 HydrophobicContact CD1-CD1 4.03Å; L178-Y198 HydrophobicContact CD1-CG 3.87Å
179G93.2Very high83.3Confident0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans-153-177.2-173.800000113.9A147 F148 N194A147-G179 CarbonylContact C-O 3.46Å; A147-G179 WeakPolarHBondContact CA-O 3.27Å; F148-G179 VanDerWaalsContact CD1-C 3.41Å; F148-G179 WeakPolarHBondContact CD1-O 3.42Å; F148-G179 PolarHBondContact N-O 2.83Å; F148-G179 PolarHBondContact O-N 2.79Å; G179-N194 CarbonylContact C-O 3.54Å; G179-N194 WeakPolarHBondContact CA-O 3.15Å
180V93.3Very high83.5Confident1 Ų145.1 Ų45.11%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-131.8130.1179-172.60000107.5A111 L114 L129 W131 I145 L146 N194A111-V180 HydrophobicContact CB-CB 3.74Å; A111-V180 HydrophobicContact CB-CG1 3.75Å; A111-V180 HydrophobicContact CB-CG2 4.46Å; L114-V180 HydrophobicContact CD2-CG2 4.47Å; L129-V180 HydrophobicContact CD2-CG2 3.96Å; W131-V180 HydrophobicContact CB-CG2 4.47Å; W131-V180 HydrophobicContact CD2-CB 4.49Å; W131-V180 HydrophobicContact CD2-CG1 4.32Å; W131-V180 HydrophobicContact CD2-CG2 3.51Å; W131-V180 HydrophobicContact CE3-CG2 3.4Å; W131-V180 HydrophobicContact CG-CG2 4Å; W131-V180 HydrophobicContact CH2-CG2 4.18Å; W131-V180 HydrophobicContact CZ2-CG1 4.23Å; W131-V180 HydrophobicContact CZ2-CG2 4.28Å; W131-V180 HydrophobicContact CZ3-CG2 3.75Å; I145-V180 HydrophobicContact CG2-CG1 3.61Å; L146-V180 CarbonylContact O-C 3.55Å; L146-V180 WeakPolarHBondContact O-CA 3.37Å; V180-N194 PolarHBondContact N-O 2.57Å; V180-N194 PolarHBondContact O-N 3.17Å
181A91Very high83.1Confident1 Ų145 Ų451%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-123.4144.8173.800000109.4L146 F148 Y190 E193L146-A181 PolarHBondContact N-O 2.85Å; L146-A181 PolarHBondContact O-N 2.77Å; F148-A181 HydrophobicContact CD1-CB 4.28Å; F148-A181 HydrophobicContact CE1-CB 4.26Å; A181-Y190 HydrophobicContact CB-CD1 3.78Å; A181-Y190 HydrophobicContact CB-CE1 4.34Å; A181-E193 HydrophobicContact CB-CG 4.01Å
182V87.9Confident83.1Confident2 Ų246.6 Ų46.61%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-108.8120.4174.5178.20000107.9L108 P109 L133 H143 K144 I145 Y190 N191L108-V182 HydrophobicContact CB-CG1 4.15Å; P109-V182 VanDerWaalsContact O-CG2 3.29Å; P109-V182 WeakPolarHBondContact O-CG2 3.35Å; L133-V182 HydrophobicContact CD2-CG2 4.21Å; H143-V182 HydrophobicContact CB-CG1 3.88Å; K144-V182 CarbonylContact O-C 3.54Å; K144-V182 WeakPolarHBondContact O-CA 3.39Å; I145-V182 HydrophobicContact CG1-CG2 4.37Å; V182-Y190 CarbonylContact O-C 3.55Å; V182-Y190 WeakPolarHBondContact O-CA 3.44Å; V182-N191 HydrophobicContact CB-CB 4.24Å; V182-N191 PolarHBondContact O-N 3.17Å
183R86.8Confident83.4Confident64 Ų6446.5 Ų46.524%0.24223%0.226CC..EExtended strand (participates in β ladder)trans-104.6127.5-179.3-161.4-178.989.7-169.99.7110.3H143 K144 L146 N188 S189 Y190H143-R183 CarbonylContact C-O 3.54Å; H143-R183 VanDerWaalsContact CA-O 3.25Å; H143-R183 WeakPolarHBondContact CA-O 3.17Å; H143-R183 WeakPolarHBondContact CB-O 3.05Å; K144-R183 PolarHBondContact N-O 2.96Å; K144-R183 PolarHBondContact O-N 2.83Å; L146-R183 HydrophobicContact CD1-CB 3.99Å; R183-N188 PolarHBondContact NE-OD1 2.86Å; R183-N188 PolarHBondContact NH2-OD1 2.86Å; R183-S189 WeakPolarHBondContact CA-O 3.34Å; R183-Y190 HydrophobicContact CB-CD1 4.19Å; R183-Y190 HydrophobicContact CB-CE1 4.17Å; R183-Y190 HydrophobicContact CG-CD1 4.27Å; R183-Y190 HydrophobicContact CG-CD2 4.32Å; R183-Y190 HydrophobicContact CG-CE1 4.15Å; R183-Y190 HydrophobicContact CG-CE2 4.13Å; R183-Y190 HydrophobicContact CG-CG 4.39Å
184S81.6Confident84.1Confident1 Ų144.9 Ų44.91%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-68.3136.8170.4172.60000110.5Q186 N187 N188 S189S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact OG-N 2.93Å; S184-Q186 VanDerWaalsContact OG-N 3.14Å; S184-N187 WeakPolarHBondContact CB-OD1 3.34Å; S184-N187 PolarHBondContact OG-OD1 3.21Å; S184-N188 WeakPolarHBondContact O-CA 3.33Å; S184-N188 PolarHBondContact O-N 3.43Å; S184-N188 VanDerWaalsContact O-N 3.12Å; S184-S189 PolarHBondContact N-O 3.08Å
185L80.2Confident84.4Confident76 Ų7646.7 Ų46.740%0.39823%0.226SC..THydrogen-bonded Turntrans-80.9-12.5172.1-66.7178.7000113.2P142 K144P142-L185 HydrophobicContact CB-CB 4.12Å; P142-L185 HydrophobicContact CB-CD1 3.62Å; P142-L185 HydrophobicContact CB-CG 4.29Å; P142-L185 VanDerWaalsContact O-CB 3.25Å; P142-L185 WeakPolarHBondContact O-CB 3.48Å; P142-L185 WeakPolarHBondContact O-CG 3.37Å; P142-L185 PolarHBondContact O-N 2.61Å; K144-L185 HydrophobicContact CD-CD2 3.77Å; K144-L185 HydrophobicContact CG-CD1 4.36Å; K144-L185 HydrophobicContact CG-CD2 3.86Å; K144-L185 HydrophobicContact CG-CG 4.31Å
186Q74.8Confident84.6Confident43 Ų4345.2 Ų45.220%0.20122%0.216CC..THydrogen-bonded Turntrans-75.4-42.6179.7-68.9-176.2-27.500112.5C76 P77 T78 S184C76-Q186 VanDerWaalsContact C-NE2 3.3Å; C76-Q186 PolarHBondContact O-NE2 2.78Å; P77-Q186 PolarHBondContact O-NE2 2.89Å; T78-Q186 HydrophobicContact CG2-CB 4.48Å; T78-Q186 HydrophobicContact CG2-CG 4.26Å; S184-Q186 VanDerWaalsContact C-N 3.32Å; S184-Q186 PolarHBondContact OG-N 2.93Å; S184-Q186 VanDerWaalsContact OG-N 3.14Å
187N73.1Confident84.5Confident56 Ų5650 Ų5030%0.29924%0.243SC..THydrogen-bonded Turntrans-132.51.1-17167.3-9.8000113.5V102 S184 S189V102-N187 HydrophobicContact CG1-CB 3.71Å; V102-N187 WeakPolarHBondContact CG1-ND2 3.48Å; S184-N187 WeakPolarHBondContact CB-OD1 3.34Å; S184-N187 PolarHBondContact OG-OD1 3.21Å; N187-S189 VanDerWaalsContact CG-OG 3.3Å; N187-S189 VanDerWaalsContact ND2-CB 3.28Å; N187-S189 WeakPolarHBondContact ND2-CB 2.82Å; N187-S189 PolarHBondContact ND2-OG 3.5Å; N187-S189 PolarHBondContact O-N 3.05Å; N187-S189 WeakPolarHBondContact OD1-CB 3.38Å; N187-S189 PolarHBondContact OD1-N 2.75Å; N187-S189 PolarHBondContact OD1-OG 2.92Å
188N76.5Confident84.2Confident90 Ų9047.2 Ų47.248%0.48123%0.23SC..  trans57.618.4-171.7-61.3-55.2000115.1R183 S184R183-N188 PolarHBondContact NE-OD1 2.86Å; R183-N188 PolarHBondContact NH2-OD1 2.86Å; S184-N188 WeakPolarHBondContact O-CA 3.33Å; S184-N188 PolarHBondContact O-N 3.43Å; S184-N188 VanDerWaalsContact O-N 3.12Å
189S75.1Confident83.8Confident33 Ų3349.2 Ų49.223%0.23124%0.244CC..  trans-72.9148.7172.770.70000110.8R183 S184 N187R183-S189 WeakPolarHBondContact CA-O 3.34Å; S184-S189 PolarHBondContact N-O 3.08Å; N187-S189 VanDerWaalsContact CG-OG 3.3Å; N187-S189 VanDerWaalsContact ND2-CB 3.28Å; N187-S189 WeakPolarHBondContact ND2-CB 2.82Å; N187-S189 PolarHBondContact ND2-OG 3.5Å; N187-S189 PolarHBondContact O-N 3.05Å; N187-S189 WeakPolarHBondContact OD1-CB 3.38Å; N187-S189 PolarHBondContact OD1-N 2.75Å; N187-S189 PolarHBondContact OD1-OG 2.92Å
190Y77.2Confident83.1Confident78 Ų7849.2 Ų49.231%0.30624%0.244SC..BIsolated β-bridgetrans-97.5146.7175.2-67.4-101.1000110.1S105 L146 E157 A181 V182 R183S105-Y190 WeakPolarHBondContact CB-O 3.37Å; L146-Y190 HydrophobicContact CD1-CE1 3.65Å; E157-Y190 PolarHBondContact OE2-OH 2.65Å; A181-Y190 HydrophobicContact CB-CD1 3.78Å; A181-Y190 HydrophobicContact CB-CE1 4.34Å; V182-Y190 CarbonylContact O-C 3.55Å; V182-Y190 WeakPolarHBondContact O-CA 3.44Å; R183-Y190 HydrophobicContact CB-CD1 4.19Å; R183-Y190 HydrophobicContact CB-CE1 4.17Å; R183-Y190 HydrophobicContact CG-CD1 4.27Å; R183-Y190 HydrophobicContact CG-CD2 4.32Å; R183-Y190 HydrophobicContact CG-CE1 4.15Å; R183-Y190 HydrophobicContact CG-CE2 4.13Å; R183-Y190 HydrophobicContact CG-CG 4.39Å
191N77.1Confident81.9Confident7 Ų755.2 Ų55.24%0.03727%0.268CS..  trans-71.8175.3162.8-155.7-6.8000110.7S105 L108 P109 V110 V182 E193S105-N191 PolarHBondContact O-ND2 3.08Å; S105-N191 PolarHBondContact O-OD1 2.88Å; L108-N191 HydrophobicContact CB-CB 3.93Å; L108-N191 HydrophobicContact CD1-CB 4.13Å; L108-N191 PolarHBondContact O-ND2 2.93Å; P109-N191 PolarHBondContact O-ND2 3.47Å; V110-N191 WeakPolarHBondContact CG2-ND2 3.42Å; V182-N191 HydrophobicContact CB-CB 4.24Å; V182-N191 PolarHBondContact O-N 3.17Å; N191-E193 PolarHBondContact O-N 2.9Å; N191-E193 VanDerWaalsContact O-N 3.12Å
192F78.5Confident80.2Confident134 Ų13460.5 Ų60.559%0.58829%0.292SS*.  trans-48.9119.3165.3-70.3-78.4000110.4E106E106-F192 HydrophobicContact CG-CE2 4.26Å
193E85.6Confident78.3Confident71 Ų7167.2 Ų67.233%0.33233%0.326SS..  trans-75.4126.1175.4-55.8-166.416200109.1F148 R155 A181 N191F148-E193 HydrophobicContact CE1-CB 4.19Å; F148-E193 HydrophobicContact CE1-CG 4.49Å; F148-E193 HydrophobicContact CZ-CB 4.26Å; R155-E193 IonicContact CZ-OE1 2.78Å; R155-E193 IonicContact CZ-OE2 2.91Å; R155-E193 IonicContact NH1-OE1 2.79Å; R155-E193 IonicContact NH1-OE2 2.61Å; R155-E193 PolarHBondContact NH1-OE2 2.65Å; R155-E193 VanDerWaalsContact NH2-CD 3.32Å; R155-E193 IonicContact NH2-OE1 2.65Å; R155-E193 PolarHBondContact NH2-OE1 3.42Å; R155-E193 IonicContact NH2-OE2 3.08Å; R155-E193 PolarHBondContact NH2-OE2 2.95Å; A181-E193 HydrophobicContact CB-CG 4.01Å; N191-E193 PolarHBondContact O-N 2.9Å; N191-E193 VanDerWaalsContact O-N 3.12Å
194N88.3Confident76.1Confident61 Ų6169.2 Ų69.233%0.32635%0.348SS..EExtended strand (participates in β ladder)trans-105.1134.1168.7-81.2-37.1000109A111 L114 G179 V180A111-N194 PolarHBondContact O-ND2 3.39Å; L114-N194 HydrophobicContact CD1-CB 3.76Å; L114-N194 HydrophobicContact CD2-CB 4.23Å; L114-N194 VanDerWaalsContact CD2-O 3.22Å; L114-N194 WeakPolarHBondContact CD2-O 3.16Å; G179-N194 CarbonylContact C-O 3.54Å; G179-N194 WeakPolarHBondContact CA-O 3.15Å; V180-N194 PolarHBondContact N-O 2.57Å; V180-N194 PolarHBondContact O-N 3.17Å
195F91.6Very high74.2Confident99 Ų9978.4 Ų78.443%0.43439%0.388SS..EExtended strand (participates in β ladder)trans-143.6163.1-176.266.7-89.5000112.2F148 K177 L178F148-F195 HydrophobicContact CE2-CB 4.3Å; F148-F195 HydrophobicContact CZ-CB 3.96Å; K177-F195 HydrophobicContact CB-CD2 4.17Å; K177-F195 HydrophobicContact CD-CD2 4.31Å; K177-F195 HydrophobicContact CD-CE2 4.25Å; K177-F195 HydrophobicContact CG-CD2 4.1Å; K177-F195 HydrophobicContact CG-CE2 4.28Å; L178-F195 CarbonylContact O-C 3.59Å; L178-F195 WeakPolarHBondContact O-CA 2.99Å; L178-F195 WeakPolarHBondContact O-CB 3.31Å
196V89Confident72.5Confident36 Ų3680.9 Ų80.922%0.21840%0.399CS..EExtended strand (participates in β ladder)trans-128.8141.1173.3-70.40000108.4L114 I116 L129 L178L114-V196 HydrophobicContact CB-CG1 3.87Å; I116-V196 HydrophobicContact CD1-CB 4.39Å; I116-V196 HydrophobicContact CD1-CG2 3.65Å; I116-V196 HydrophobicContact CG1-CG2 3.89Å; L129-V196 HydrophobicContact CD1-CG2 3.82Å; L178-V196 HydrophobicContact CB-CG2 4.22Å; L178-V196 PolarHBondContact N-O 2.84Å; L178-V196 WeakPolarHBondContact O-CG2 3.49Å; L178-V196 PolarHBondContact O-N 3.36Å
197N88.6Confident71.5Confident115 Ų11585 Ų8562%0.61542%0.421SS*.EExtended strand (participates in β ladder)trans-80.9129.8172.5-66.6-35.5000109Y176Y176-N197 CarbonylContact O-C 3.52Å; Y176-N197 WeakPolarHBondContact O-CA 3.41Å
198Y86.7Confident70.9Confident24 Ų2484 Ų849%0.09442%0.418CS..EExtended strand (participates in β ladder)trans-129.7139177.2179.9-106000110I116 L118 N124 I127 L170 Y176 L178 T200I116-Y198 HydrophobicContact CD1-CD2 3.71Å; I116-Y198 HydrophobicContact CD1-CG 4.04Å; I116-Y198 HydrophobicContact CG2-CD2 4.3Å; I116-Y198 HydrophobicContact CG2-CE2 4.34Å; L118-Y198 HydrophobicContact CD2-CE2 4.19Å; N124-Y198 PolarHBondContact O-OH 2.99Å; I127-Y198 HydrophobicContact CD1-CD1 3.78Å; I127-Y198 HydrophobicContact CD1-CD2 4.46Å; I127-Y198 HydrophobicContact CD1-CE1 3.91Å; I127-Y198 HydrophobicContact CD1-CG 4.07Å; I127-Y198 HydrophobicContact CG2-CE1 3.93Å; I127-Y198 HydrophobicContact CG2-CE2 4.11Å; I127-Y198 WeakPolarHBondContact CG2-OH 3.37Å; L170-Y198 HydrophobicContact CD1-CD1 3.81Å; L170-Y198 HydrophobicContact CD1-CE1 3.74Å; Y176-Y198 PolarHBondContact N-O 3.13Å; Y176-Y198 PolarHBondContact O-N 3.11Å; L178-Y198 VanDerWaalsContact CD1-CB 3.43Å; L178-Y198 HydrophobicContact CD1-CD1 4.03Å; L178-Y198 HydrophobicContact CD1-CG 3.87Å; Y198-T200 HydrophobicContact CD1-CG2 4.27Å; Y198-T200 HydrophobicContact CE1-CG2 3.73Å
199S84.1Confident70.3Confident42 Ų4279.8 Ų79.829%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-119129.3177.6-175.40000111.3Y201S199-Y201 WeakPolarHBondContact OG-CB 3.22Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.25Å; S199-Y201 PolarHBondContact OG-N 3.34Å
200T78.5Confident69.7Low0 Ų079.4 Ų79.40%040%0.396CS..  trans-88.17.6168.361.70000112L170 E171 N173 K174 Y176 Y198 Q202L170-T200 HydrophobicContact CB-CG2 3.63Å; L170-T200 HydrophobicContact CD1-CG2 4.14Å; E171-T200 VanDerWaalsContact O-CB 3.22Å; E171-T200 WeakPolarHBondContact O-CB 3.03Å; E171-T200 WeakPolarHBondContact O-CG2 3.2Å; E171-T200 PolarHBondContact O-OG1 2.84Å; N173-T200 PolarHBondContact N-O 2.91Å; N173-T200 PolarHBondContact N-OG1 3.02Å; K174-T200 PolarHBondContact N-OG1 2.61Å; K174-T200 PolarHBondContact O-N 3.14Å; K174-T200 PolarHBondContact O-OG1 3.34Å; K174-T200 VanDerWaalsContact O-OG1 3.08Å; Y176-T200 HydrophobicContact CD2-CG2 3.99Å; Y176-T200 HydrophobicContact CE2-CG2 3.64Å; Y198-T200 HydrophobicContact CD1-CG2 4.27Å; Y198-T200 HydrophobicContact CE1-CG2 3.73Å; T200-Q202 PolarHBondContact O-N 3.33Å
201Y68.4Low68.9Low127 Ų12780.5 Ų80.550%0.49841%0.413SS..  trans-54.2117.8165.2-69.8-58000106.6N173 T175 S199 I203N173-Y201 VanDerWaalsContact CA-CD1 3.47Å; N173-Y201 HydrophobicContact CB-CD1 3.82Å; N173-Y201 HydrophobicContact CB-CE1 3.77Å; N173-Y201 WeakPolarHBondContact O-CE1 3.46Å; N173-Y201 PolarHBondContact O-OH 2.79Å; T175-Y201 WeakPolarHBondContact OG1-CE2 3.29Å; S199-Y201 WeakPolarHBondContact OG-CB 3.22Å; S199-Y201 WeakPolarHBondContact OG-CD2 3.25Å; S199-Y201 PolarHBondContact OG-N 3.34Å; Y201-I203 PolarHBondContact O-N 3.29Å; Y201-I203 VanDerWaalsContact O-N 3.13Å
202Q55Low68Low112 Ų11289.5 Ų89.552%0.52346%0.455SS..  trans-56.5126.2166.7-70.2-177.3-13.600106L172 T200L172-Q202 HydrophobicContact CD2-CG 4.36Å; T200-Q202 PolarHBondContact O-N 3.33Å
203I48.7Very low66.9Low142 Ų14286.2 Ų86.273%0.72845%0.448SS*.SBendtrans-31130.1168.3-64.5161.7000107.9Y201Y201-I203 PolarHBondContact O-N 3.29Å; Y201-I203 VanDerWaalsContact O-N 3.13Å
204P40.5Very low65.7Low107 Ų10785.3 Ų85.370%0.69545%0.446SS*.SBendtrans-48.4141.3-152.2-21.729.7000111.7M206P204-M206 PolarHBondContact O-N 3.3Å
205K40.5Very low64.6Low193 Ų19385 Ų8584%0.83944%0.444SS*.  trans-15.7124.8164.2-89.1177.6171.7175.10111.3I207K205-I207 VanDerWaalsContact O-CG1 3.27Å; K205-I207 WeakPolarHBondContact O-CG1 3.27Å; K205-I207 PolarHBondContact O-N 3.14Å
206M44.3Very low63.6Low129 Ų12983 Ų8364%0.63544%0.44SS*.  trans-37104.4163.7-79176.5171.100110.2P204 C208 K244P204-M206 PolarHBondContact O-N 3.3Å; M206-C208 PolarHBondContact O-N 2.96Å; M206-K244 HydrophobicContact CE-CB 3.46Å; M206-K244 VanDerWaalsContact CE-CB 3.46Å; M206-K244 HydrophobicContact CE-CD 3.15Å; M206-K244 HydrophobicContact CE-CG 3.91Å
207I53.6Low63.1Low128 Ų12881.6 Ų81.666%0.65643%0.431SS*.  trans-9392.1166.7-50.4-175.6000104K205K205-I207 VanDerWaalsContact O-CG1 3.27Å; K205-I207 WeakPolarHBondContact O-CG1 3.27Å; K205-I207 PolarHBondContact O-N 3.14Å
208C61.6Low62.8Low35 Ų3581.5 Ų81.524%0.23643%0.43CS..PPolyproline II helixtrans-54.4135155.6-61.40000106.3M206 G210 C245M206-C208 PolarHBondContact O-N 2.96Å; C208-G210 PolarHBondContact O-N 2.81Å; C208-C245 WeakPolarHBondContact CA-SG 3.4Å; C208-C245 HydrophobicContact CB-CB 3.79Å; C208-C245 WeakPolarHBondContact CB-SG 3.25Å; C208-C245 WeakPolarHBondContact SG-CB 3.47Å; C208-C245 CovalentContact SG-SG 2.05Å; C208-C245 PolarHBondContact SG-SG 3.34Å
209P63.4Low62.7Low3 Ų382 Ų822%0.01944%0.444CS..PPolyproline II helixtrans-53.4135.1-170.619.8-29.8000109.4F242 Y293 I297P209-F242 HydrophobicContact CB-CE1 4.25Å; P209-F242 HydrophobicContact CG-CD1 4.28Å; P209-F242 HydrophobicContact CG-CE1 4.27Å; P209-Y293 HydrophobicContact CG-CD1 4.07Å; P209-Y293 HydrophobicContact CG-CD2 3.9Å; P209-Y293 HydrophobicContact CG-CE1 3.69Å; P209-Y293 HydrophobicContact CG-CE2 3.53Å; P209-Y293 HydrophobicContact CG-CG 4.16Å; P209-Y293 VanDerWaalsContact CG-CZ 3.41Å; P209-I297 WeakPolarHBondContact O-CD1 3.41Å
210G62.6Low63Low24 Ų2481.1 Ų81.125%0.24744%0.435CS..PPolyproline II helixtrans-70.4170.5170.700000110C208 Q212 S213C208-G210 PolarHBondContact O-N 2.81Å; G210-Q212 PolarHBondContact O-N 3.32Å; G210-S213 PolarHBondContact N-OG 3.03Å; G210-S213 PolarHBondContact O-N 3.41Å
211P60.7Low63.6Low102 Ų10287.5 Ų87.566%0.66247%0.465SS*.THydrogen-bonded Turntrans-55.7-20176.3-23.532.9000114.2L214 I297P211-L214 WeakPolarHBondContact O-CD1 3.39Å; P211-L214 WeakPolarHBondContact O-CG 3.36Å; P211-I297 HydrophobicContact CG-CD1 4.44Å
212Q57.3Low64.7Low196 Ų19682.7 Ų82.792%0.91645%0.449SS*.THydrogen-bonded Turntrans-93.8-7.9179.7-61.8-174.5-5.100113.9G210G210-Q212 PolarHBondContact O-N 3.32Å
213S55.8Low66.3Low64 Ų6482 Ų8245%0.44844%0.444SS..SBendtrans-110.121.4-175.9-11.80000112.1G210 L215G210-S213 PolarHBondContact N-OG 3.03Å; G210-S213 PolarHBondContact O-N 3.41Å; S213-L215 PolarHBondContact O-N 3.23Å; S213-L215 VanDerWaalsContact O-N 3.14Å
214L59.8Low68.2Low52 Ų5276.6 Ų76.627%0.27242%0.416SS..PPolyproline II helixtrans-62.8116.7-172.9-62.9176.9000110.3P211 I297 Y298P211-L214 WeakPolarHBondContact O-CD1 3.39Å; P211-L214 WeakPolarHBondContact O-CG 3.36Å; L214-I297 HydrophobicContact CD2-CG2 3.46Å; L214-I297 VanDerWaalsContact CD2-CG2 3.46Å; L214-Y298 WeakPolarHBondContact CD2-O 3.32Å
215L65Low70.2Confident54 Ų5473.1 Ų73.128%0.28339%0.391SS..PPolyproline II helixtrans-80125.6174.9-61.1162.2000109.5S213 L238 F242 Y293 A299S213-L215 PolarHBondContact O-N 3.23Å; S213-L215 VanDerWaalsContact O-N 3.14Å; L215-L238 HydrophobicContact CD1-CD2 4.09Å; L215-F242 HydrophobicContact CD1-CD2 3.12Å; L215-F242 HydrophobicContact CD1-CE2 2.97Å; L215-F242 HydrophobicContact CD1-CG 3.98Å; L215-F242 HydrophobicContact CD1-CZ 3.77Å; L215-F242 HydrophobicContact CD2-CE2 4.01Å; L215-F242 HydrophobicContact CG-CD2 4.42Å; L215-F242 HydrophobicContact CG-CE2 3.89Å; L215-F242 HydrophobicContact CG-CZ 4.38Å; L215-Y293 WeakPolarHBondContact CD1-OH 3.32Å; L215-A299 WeakPolarHBondContact O-CB 3.14Å
216V71.1Confident72Confident58 Ų5865.9 Ų65.935%0.35236%0.364SS..PPolyproline II helixtrans-70.5139.2165.4-174.50000108.6D218 E300V216-D218 PolarHBondContact O-N 3.03Å; V216-E300 HydrophobicContact CG2-CB 4.45Å
217V79.3Confident73.4Confident6 Ų668.3 Ų68.34%0.03637%0.371CS..PPolyproline II helixtrans-76.6117.6173.2177.30000108.3W235 Y249 V289 V291 S302V217-W235 HydrophobicContact CG1-CB 3.97Å; V217-W235 HydrophobicContact CG1-CG 4.1Å; V217-Y249 HydrophobicContact CG2-CD1 4.23Å; V217-Y249 HydrophobicContact CG2-CE1 4.09Å; V217-V289 HydrophobicContact CB-CG1 4.5Å; V217-V289 HydrophobicContact CG1-CB 4.38Å; V217-V289 HydrophobicContact CG1-CG1 4.14Å; V217-V289 HydrophobicContact CG2-CG1 4.45Å; V217-V291 HydrophobicContact CG2-CB 4.04Å; V217-V291 HydrophobicContact CG2-CG1 4.29Å; V217-S302 WeakPolarHBondContact O-CB 3.4Å
218D81.4Confident74.5Confident113 Ų11365.1 Ų65.160%0.60436%0.357SS*.PPolyproline II helixtrans-91.8166.8-177.5-66.3-35.5000113.1V216 L220 N236V216-D218 PolarHBondContact O-N 3.03Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.29Å; D218-N236 WeakPolarHBondContact O-CB 3.39Å; D218-N236 PolarHBondContact O-N 3.27Å
219G84.9Confident75.5Confident36 Ų3665.5 Ų65.537%0.37136%0.356SS..  trans70.924.7170.700000114.7Q221G219-Q221 PolarHBondContact O-N 3.41Å
220L90.5Very high76.4Confident23 Ų2365.3 Ų65.312%0.1236%0.355CS..  trans-62123.7173.4-177.562.2000110.3D218 V233 S234 W235 Y287 V289 S302 V305D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.29Å; L220-V233 HydrophobicContact CD1-CG1 3.59Å; L220-S234 CarbonylContact C-O 3.4Å; L220-S234 WeakPolarHBondContact CA-O 3.22Å; L220-W235 HydrophobicContact CD1-CB 4.31Å; L220-Y287 VanDerWaalsContact CD2-O 3.25Å; L220-Y287 WeakPolarHBondContact CD2-O 3.35Å; L220-V289 HydrophobicContact CD1-CG2 3.69Å; L220-V289 HydrophobicContact CD2-CG2 4.5Å; L220-S302 WeakPolarHBondContact CD2-OG 3.26Å; L220-V305 HydrophobicContact CB-CG2 4.26Å; L220-V305 HydrophobicContact CD2-CB 4.33Å; L220-V305 HydrophobicContact CD2-CG2 3.87Å; L220-V305 HydrophobicContact CG-CG2 3.91Å
221Q90.9Very high77.6Confident133 Ų13364.2 Ų64.262%0.62134%0.344SS*.EExtended strand (participates in β ladder)trans-130.9142176.7-65.2-178.3-0.600109.8G219 V233 S234G219-Q221 PolarHBondContact O-N 3.41Å; Q221-V233 WeakPolarHBondContact O-CA 3.04Å; Q221-S234 PolarHBondContact N-O 3.02Å; Q221-S234 PolarHBondContact O-N 2.97Å
222V91.5Very high78.8Confident26 Ų2660.4 Ų60.416%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-129.4125.3177.1-169.80000109.2H231 V232 V233 Y287 V305 I307V222-H231 HydrophobicContact CG1-CB 4.19Å; V222-V232 CarbonylContact C-O 3.55Å; V222-V232 VanDerWaalsContact CA-O 3.31Å; V222-V232 WeakPolarHBondContact CA-O 3.44Å; V222-V233 HydrophobicContact CG1-CG2 4.19Å; V222-V233 HydrophobicContact CG2-CG1 4.31Å; V222-V233 HydrophobicContact CG2-CG2 4.38Å; V222-Y287 HydrophobicContact CB-CD2 4.42Å; V222-Y287 HydrophobicContact CG1-CD2 3.8Å; V222-Y287 HydrophobicContact CG1-CE2 3.93Å; V222-Y287 HydrophobicContact CG2-CD2 3.83Å; V222-Y287 HydrophobicContact CG2-CG 4.11Å; V222-V305 HydrophobicContact CB-CG1 4.2Å; V222-V305 HydrophobicContact CG2-CB 4Å; V222-V305 HydrophobicContact CG2-CG1 3.82Å; V222-I307 HydrophobicContact CB-CD1 4.32Å; V222-I307 HydrophobicContact CG1-CB 4.4Å; V222-I307 HydrophobicContact CG1-CD1 3.83Å; V222-I307 HydrophobicContact CG1-CG2 3.88Å
223K89.3Confident80.4Confident97 Ų9751.1 Ų51.142%0.42228%0.275SS..EExtended strand (participates in β ladder)trans-115.5128.5175-176.4175.8-179.6177.40109.6L225 H231 V232 E320K223-L225 HydrophobicContact CD-CD2 4.49Å; K223-H231 WeakPolarHBondContact O-CA 3.36Å; K223-V232 PolarHBondContact N-O 3.28Å; K223-V232 PolarHBondContact O-N 3.39Å; K223-E320 IonicContact NZ-OE1 3.85Å; K223-E320 PolarHBondContact NZ-OE1 3.27Å
224H88.2Confident82Confident29 Ų2949.7 Ų49.713%0.13427%0.265CS..EExtended strand (participates in β ladder)trans-81.7137.3170.9-177.866.9000110.8P226 H231 I307 V310H224-P226 WeakPolarHBondContact NE2-CA 3.03Å; H224-P226 WeakPolarHBondContact O-CD 3.08Å; H224-H231 AromaticContact CE1-NE2 3.85Å; H224-H231 AromaticContact CG-CD2 3.83Å; H224-H231 AromaticContact CG-NE2 3.77Å; H224-H231 AromaticContact ND1-CD2 3.1Å; H224-H231 PolarHBondContact ND1-CD2 2.81Å; H224-H231 AromaticContact ND1-NE2 2.95Å; H224-H231 PolarHBondContact ND1-NE2 3.01Å; H224-I307 HydrophobicContact CB-CD1 3.67Å; H224-I307 HydrophobicContact CB-CG1 4.35Å; H224-V310 PolarHBondContact NE2-N 3.2Å; H224-V310 PolarHBondContact NE2-O 2.87Å
225L83Confident83.3Confident34 Ų3447.7 Ų47.718%0.17825%0.254CS..EExtended strand (participates in β ladder)trans-113.590.7173.7-60.3-177.8000108.1K223 K227 T228 M229 A230 V232K223-L225 HydrophobicContact CD-CD2 4.49Å; L225-K227 VanDerWaalsContact C-N 3.29Å; L225-K227 PolarHBondContact O-N 3.43Å; L225-T228 PolarHBondContact O-N 3.21Å; L225-M229 PolarHBondContact O-N 3.39Å; L225-A230 HydrophobicContact CB-CB 4.37Å; L225-A230 PolarHBondContact N-O 2.85Å; L225-A230 PolarHBondContact O-N 2.89Å; L225-V232 HydrophobicContact CD1-CG2 3.5Å; L225-V232 HydrophobicContact CD2-CG2 4.49Å; L225-V232 HydrophobicContact CG-CG2 3.91Å
226P77.2Confident84.2Confident42 Ų4249.8 Ų49.827%0.27327%0.266SS..G310 helixtrans-60.1-37.1-173-2228.3000114H224 T228 M229 V312H224-P226 WeakPolarHBondContact NE2-CA 3.03Å; H224-P226 WeakPolarHBondContact O-CD 3.08Å; P226-T228 VanDerWaalsContact C-N 3.27Å; P226-T228 PolarHBondContact O-N 2.05Å; P226-M229 PolarHBondContact O-N 2.86Å; P226-V312 HydrophobicContact CB-CB 4.06Å; P226-V312 HydrophobicContact CB-CG2 3.35Å; P226-V312 HydrophobicContact CG-CG2 3.65Å
227K74.2Confident84.6Confident179 Ų17949 Ų4978%0.77827%0.269SS*.G310 helixtrans-62.6-35.2-175.8-173.7178.1-179.9-178.60112.7L225 F321L225-K227 VanDerWaalsContact C-N 3.29Å; L225-K227 PolarHBondContact O-N 3.43Å; K227-F321 HydrophobicContact CD-CE2 4.09Å
228T76.2Confident84.5Confident61 Ų6150.4 Ų50.437%0.37428%0.276SS..G310 helixtrans-106.82.7-177.954.50000112.4L225 P226 A230 F321L225-T228 PolarHBondContact O-N 3.21Å; P226-T228 VanDerWaalsContact C-N 3.27Å; P226-T228 PolarHBondContact O-N 2.05Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 3.08Å; T228-F321 HydrophobicContact CG2-CZ 4.32Å
229M82.6Confident84Confident43 Ų4347.8 Ų47.821%0.21227%0.267CS..THydrogen-bonded Turntrans44.555.5-171.1-66.2-62.3-66.600111.5L225 P226 I279 E281 A309L225-M229 PolarHBondContact O-N 3.39Å; P226-M229 PolarHBondContact O-N 2.86Å; M229-I279 WeakPolarHBondContact CE-O 3.29Å; M229-I279 VanDerWaalsContact O-CB 3.29Å; M229-I279 WeakPolarHBondContact O-CB 3.29Å; M229-I279 VanDerWaalsContact O-CG1 3.28Å; M229-I279 WeakPolarHBondContact O-CG1 3.05Å; M229-I279 PolarHBondContact O-N 2.89Å; M229-I279 VanDerWaalsContact O-N 3.1Å; M229-E281 HydrophobicContact CE-CB 4.08Å; M229-A309 HydrophobicContact CE-CB 4.25Å
230A83.7Confident83.4Confident0 Ų051.2 Ų51.20%029%0.285CS..EExtended strand (participates in β ladder)trans-128.9152.7-177.300000112.1L225 T228 I275 I276 Y277L225-A230 HydrophobicContact CB-CB 4.37Å; L225-A230 PolarHBondContact N-O 2.85Å; L225-A230 PolarHBondContact O-N 2.89Å; T228-A230 VanDerWaalsContact C-N 3.28Å; T228-A230 PolarHBondContact O-N 3.08Å; A230-I275 HydrophobicContact CB-CG2 4.08Å; A230-I276 CarbonylContact C-O 3.48Å; A230-I276 WeakPolarHBondContact CA-O 3.33Å; A230-I276 WeakPolarHBondContact CB-O 3.07Å; A230-Y277 HydrophobicContact CB-CD1 3.89Å; A230-Y277 HydrophobicContact CB-CE1 4.2Å
231H86.7Confident82.3Confident0 Ų056.8 Ų56.80%031%0.31CS..EExtended strand (participates in β ladder)trans-111.5129.1169.9-68.4160.1000110.3V222 K223 H224 I275 I276 I279 Y285 Y287V222-H231 HydrophobicContact CG1-CB 4.19Å; K223-H231 WeakPolarHBondContact O-CA 3.36Å; H224-H231 AromaticContact CE1-NE2 3.85Å; H224-H231 AromaticContact CG-CD2 3.83Å; H224-H231 AromaticContact CG-NE2 3.77Å; H224-H231 AromaticContact ND1-CD2 3.1Å; H224-H231 PolarHBondContact ND1-CD2 2.81Å; H224-H231 AromaticContact ND1-NE2 2.95Å; H224-H231 PolarHBondContact ND1-NE2 3.01Å; H231-I275 CarbonylContact O-C 3.47Å; H231-I275 WeakPolarHBondContact O-CA 3.35Å; H231-I276 PolarHBondContact N-O 3.11Å; H231-I276 PolarHBondContact O-N 2.92Å; H231-I279 HydrophobicContact CB-CD1 4.31Å; H231-I279 HydrophobicContact CB-CG1 4.47Å; H231-I279 VanDerWaalsContact CE1-CG2 3.47Å; H231-I279 WeakPolarHBondContact CE1-CG2 3.44Å; H231-Y285 AromaticContact CE1-CD2 3.53Å; H231-Y285 AromaticContact CE1-CG 3.86Å; H231-Y287 HydrophobicContact CB-CE2 4.25Å; H231-Y287 AromaticContact ND1-CE2 3.44Å; H231-Y287 WeakPolarHBondContact ND1-CE2 3.41Å; H231-Y287 AromaticContact ND1-CZ 3.53Å; H231-Y287 PolarHBondContact ND1-OH 2.8Å
232V87.1Confident81.5Confident23 Ų2351.5 Ų51.514%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-96.8115.9169.8-1760000107.8V222 K223 L225 I275V222-V232 CarbonylContact C-O 3.55Å; V222-V232 VanDerWaalsContact CA-O 3.31Å; V222-V232 WeakPolarHBondContact CA-O 3.44Å; K223-V232 PolarHBondContact N-O 3.28Å; K223-V232 PolarHBondContact O-N 3.39Å; L225-V232 HydrophobicContact CD1-CG2 3.5Å; L225-V232 HydrophobicContact CD2-CG2 4.49Å; L225-V232 HydrophobicContact CG-CG2 3.91Å; V232-I275 HydrophobicContact CG2-CG1 4.26Å
233V89.6Confident80.6Confident0 Ų058.2 Ų58.20%031%0.308CS..EExtended strand (participates in β ladder)trans-106.7131.2178.7-173.40000108L220 Q221 V222 W235 M251 N273 N274 I276 Y287L220-V233 HydrophobicContact CD1-CG1 3.59Å; Q221-V233 WeakPolarHBondContact O-CA 3.04Å; V222-V233 HydrophobicContact CG1-CG2 4.19Å; V222-V233 HydrophobicContact CG2-CG1 4.31Å; V222-V233 HydrophobicContact CG2-CG2 4.38Å; V233-W235 HydrophobicContact CG1-CE3 4.29Å; V233-W235 HydrophobicContact CG1-CZ3 4.27Å; V233-M251 HydrophobicContact CB-SD 3.82Å; V233-M251 HydrophobicContact CG1-CG 4.37Å; V233-M251 HydrophobicContact CG1-SD 3.77Å; V233-M251 HydrophobicContact CG2-SD 3.89Å; V233-N273 CarbonylContact O-C 3.59Å; V233-N273 WeakPolarHBondContact O-CA 3.44Å; V233-N273 VanDerWaalsContact O-CB 3.29Å; V233-N273 WeakPolarHBondContact O-CB 3.11Å; V233-N274 PolarHBondContact N-O 2.87Å; V233-N274 PolarHBondContact O-N 3.16Å; V233-I276 HydrophobicContact CG2-CG1 4.49Å; V233-Y287 HydrophobicContact CG2-CD1 3.67Å; V233-Y287 HydrophobicContact CG2-CD2 4.37Å; V233-Y287 HydrophobicContact CG2-CE1 3.84Å; V233-Y287 HydrophobicContact CG2-CG 3.95Å
234S89.6Confident79.7Confident35 Ų3561 Ų6125%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-143.4150.8179.858.20000112L220 Q221 L272L220-S234 CarbonylContact C-O 3.4Å; L220-S234 WeakPolarHBondContact CA-O 3.22Å; Q221-S234 PolarHBondContact N-O 3.02Å; Q221-S234 PolarHBondContact O-N 2.97Å; S234-L272 CarbonylContact C-O 3.57Å; S234-L272 VanDerWaalsContact CA-O 3.29Å; S234-L272 WeakPolarHBondContact CA-O 3.27Å
235W88.5Confident79.2Confident9 Ų959.9 Ų59.93%0.03432%0.315CS..  trans-148.7166.2-176.658.194.9000112.1V217 L220 V233 Y249 H271 L272 V289V217-W235 HydrophobicContact CG1-CB 3.97Å; V217-W235 HydrophobicContact CG1-CG 4.1Å; L220-W235 HydrophobicContact CD1-CB 4.31Å; V233-W235 HydrophobicContact CG1-CE3 4.29Å; V233-W235 HydrophobicContact CG1-CZ3 4.27Å; W235-Y249 HydrophobicContact CZ2-CD2 4.15Å; W235-Y249 HydrophobicContact CZ2-CG 4.17Å; W235-Y249 AromaticContact NE1-CD1 3.67Å; W235-Y249 AromaticContact NE1-CD2 3.47Å; W235-Y249 AromaticContact NE1-CE1 3.86Å; W235-Y249 AromaticContact NE1-CE2 3.66Å; W235-Y249 AromaticContact NE1-CG 3.49Å; W235-Y249 AromaticContact NE1-CZ 3.86Å; W235-H271 WeakPolarHBondContact CZ2-O 3.31Å; W235-L272 PolarHBondContact N-O 2.84Å; W235-L272 WeakPolarHBondContact O-CB 3.44Å; W235-V289 HydrophobicContact CD2-CB 4.48Å; W235-V289 HydrophobicContact CD2-CG1 4.03Å; W235-V289 HydrophobicContact CD2-CG2 3.91Å; W235-V289 HydrophobicContact CE3-CG2 3.71Å; W235-V289 HydrophobicContact CG-CG1 4.14Å; W235-V289 HydrophobicContact CG-CG2 4.3Å; W235-V289 HydrophobicContact CZ2-CG1 4.47Å; W235-V289 HydrophobicContact CZ3-CG2 4.17Å
236N84Confident79.1Confident99 Ų9958.7 Ų58.753%0.52931%0.309SS..PPolyproline II helixtrans-80.3148.3176.3-69.2-24.3000111.9D218D218-N236 WeakPolarHBondContact O-CB 3.39Å; D218-N236 PolarHBondContact O-N 3.27Å
237G79.4Confident79.5Confident40 Ų4058.5 Ų58.541%0.41231%0.308SS..PPolyproline II helixtrans-73.5155.5174.200000112.7
238L77Confident80.1Confident36 Ų3651.1 Ų51.119%0.18828%0.277CS..PPolyproline II helixtrans-57.7148.1170.5-73.3-175.5000112.8L215 F242 F246 Y249 V291 Y293L215-L238 HydrophobicContact CD1-CD2 4.09Å; L238-F242 HydrophobicContact CD1-CB 4.32Å; L238-F246 HydrophobicContact CD1-CB 4.37Å; L238-F246 HydrophobicContact CD1-CD2 3.86Å; L238-Y249 HydrophobicContact CG-CE1 4.33Å; L238-Y249 PolarHBondContact N-OH 3.12Å; L238-V291 HydrophobicContact CD1-CB 4.4Å; L238-V291 HydrophobicContact CD1-CG1 4.43Å; L238-V291 HydrophobicContact CD1-CG2 3.51Å; L238-V291 HydrophobicContact CD2-CB 4.38Å; L238-V291 HydrophobicContact CD2-CG1 4.04Å; L238-V291 HydrophobicContact CD2-CG2 4.33Å; L238-V291 HydrophobicContact CG-CG2 4.04Å; L238-Y293 HydrophobicContact CD1-CE1 3.83Å
239S71.2Confident80.6Confident59 Ų5948.7 Ų48.741%0.41326%0.261SS..PPolyproline II helixtrans-51.9142.4168.2175.40000111.4Q241 F242S239-Q241 PolarHBondContact O-N 2.96Å; S239-F242 PolarHBondContact O-N 2.79Å
240S70.9Confident81Confident107 Ų10747.3 Ų47.375%0.74825%0.254SS*.G310 helixtrans-54.8-27.9-17758.30000113.1F242 R243S240-F242 PolarHBondContact O-N 3.22Å; S240-R243 WeakPolarHBondContact O-CB 3.46Å; S240-R243 PolarHBondContact O-N 2.87Å
241Q67.8Low81.2Confident141 Ų14147.3 Ų47.366%0.65925%0.254SS*.G310 helixtrans-61.1-25.8178.474.3-166.415.800113.9S239S239-Q241 PolarHBondContact O-N 2.96Å
242F74.1Confident81.4Confident22 Ų2248.1 Ų48.110%0.09626%0.259CS..G310 helixtrans-104.60.5-178.6-56.9-66.5000114.3P209 L215 L238 S239 S240 K244 C245 F246 Y293P209-F242 HydrophobicContact CB-CE1 4.25Å; P209-F242 HydrophobicContact CG-CD1 4.28Å; P209-F242 HydrophobicContact CG-CE1 4.27Å; L215-F242 HydrophobicContact CD1-CD2 3.12Å; L215-F242 HydrophobicContact CD1-CE2 2.97Å; L215-F242 HydrophobicContact CD1-CG 3.98Å; L215-F242 HydrophobicContact CD1-CZ 3.77Å; L215-F242 HydrophobicContact CD2-CE2 4.01Å; L215-F242 HydrophobicContact CG-CD2 4.42Å; L215-F242 HydrophobicContact CG-CE2 3.89Å; L215-F242 HydrophobicContact CG-CZ 4.38Å; L238-F242 HydrophobicContact CD1-CB 4.32Å; S239-F242 PolarHBondContact O-N 2.79Å; S240-F242 PolarHBondContact O-N 3.22Å; F242-K244 PolarHBondContact O-N 3.45Å; F242-K244 VanDerWaalsContact O-N 3.08Å; F242-C245 WeakPolarHBondContact O-CA 3.29Å; F242-C245 PolarHBondContact O-N 3.33Å; F242-F246 PolarHBondContact O-N 3.38Å; F242-F246 VanDerWaalsContact O-N 3.11Å; F242-Y293 HydrophobicContact CB-CE1 4.23Å
243R71.9Confident81.5Confident167 Ų16747.3 Ų47.363%0.6325%0.254SS*.THydrogen-bonded Turntrans-56.4-32.9-172.6-170.1175.5-178.5178.41.5113.5S240 W270S240-R243 WeakPolarHBondContact O-CB 3.46Å; S240-R243 PolarHBondContact O-N 2.87Å; R243-W270 HydrophobicContact CG-CZ3 4.36Å
244K71.5Confident81.5Confident155 Ų15549.6 Ų49.667%0.67426%0.264SS*.THydrogen-bonded Turntrans-78.6-21178.4-64.6-171.6178.7-179.30113.5M206 F242M206-K244 HydrophobicContact CE-CB 3.46Å; M206-K244 VanDerWaalsContact CE-CB 3.46Å; M206-K244 HydrophobicContact CE-CD 3.15Å; M206-K244 HydrophobicContact CE-CG 3.91Å; F242-K244 PolarHBondContact O-N 3.45Å; F242-K244 VanDerWaalsContact O-N 3.08Å
245C77.4Confident81.4Confident6 Ų648.9 Ų48.94%0.04126%0.257CS..THydrogen-bonded Turntrans-90.4-13.5175-68.80000113C208 F242 Y293 R294C208-C245 WeakPolarHBondContact CA-SG 3.4Å; C208-C245 HydrophobicContact CB-CB 3.79Å; C208-C245 WeakPolarHBondContact CB-SG 3.25Å; C208-C245 WeakPolarHBondContact SG-CB 3.47Å; C208-C245 CovalentContact SG-SG 2.05Å; C208-C245 PolarHBondContact SG-SG 3.34Å; F242-C245 WeakPolarHBondContact O-CA 3.29Å; F242-C245 PolarHBondContact O-N 3.33Å; C245-Y293 HydrophobicContact CB-CD1 4.06Å; C245-Y293 CarbonylContact O-C 3.48Å; C245-Y293 VanDerWaalsContact O-CA 3.25Å; C245-Y293 WeakPolarHBondContact O-CA 3.35Å; C245-R294 PolarHBondContact O-N 3.25Å
246F81.8Confident81.5Confident8 Ų852.4 Ų52.44%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-63.2135.8-180176-107.8000112.3L238 F242 H248 Y249 W270 V291 R294L238-F246 HydrophobicContact CD1-CB 4.37Å; L238-F246 HydrophobicContact CD1-CD2 3.86Å; F242-F246 PolarHBondContact O-N 3.38Å; F242-F246 VanDerWaalsContact O-N 3.11Å; F246-H248 VanDerWaalsContact CE2-C 3.42Å; F246-Y249 HydrophobicContact CE2-CD1 4.25Å; F246-Y249 AromaticContact CE2-CD2 3.69Å; F246-Y249 HydrophobicContact CE2-CD2 3.69Å; F246-Y249 HydrophobicContact CE2-CE1 4.05Å; F246-Y249 AromaticContact CE2-CE2 3.45Å; F246-Y249 HydrophobicContact CE2-CE2 3.45Å; F246-Y249 VanDerWaalsContact CE2-CE2 3.45Å; F246-Y249 HydrophobicContact CE2-CG 4.07Å; F246-Y249 AromaticContact CE2-CZ 3.64Å; F246-Y249 AromaticContact CZ-CD2 3.59Å; F246-Y249 HydrophobicContact CZ-CD2 3.59Å; F246-Y249 AromaticContact CZ-CE2 3.46Å; F246-Y249 HydrophobicContact CZ-CE2 3.46Å; F246-Y249 VanDerWaalsContact CZ-CE2 3.46Å; F246-Y249 HydrophobicContact CZ-CG 4.34Å; F246-W270 HydrophobicContact CD1-CD2 4.36Å; F246-W270 HydrophobicContact CD1-CE3 4.13Å; F246-W270 AromaticContact CD1-CH2 3.91Å; F246-W270 HydrophobicContact CD1-CH2 3.91Å; F246-W270 HydrophobicContact CD1-CZ2 4.15Å; F246-W270 AromaticContact CD1-CZ3 3.9Å; F246-W270 HydrophobicContact CD1-CZ3 3.9Å; F246-W270 AromaticContact CE1-CD2 3.97Å; F246-W270 HydrophobicContact CE1-CD2 3.97Å; F246-W270 AromaticContact CE1-CE3 3.95Å; F246-W270 HydrophobicContact CE1-CE3 3.95Å; F246-W270 HydrophobicContact CE1-CG 4.5Å; F246-W270 HydrophobicContact CE1-CH2 4.47Å; F246-W270 HydrophobicContact CE1-CZ2 4.5Å; F246-W270 HydrophobicContact CE1-CZ3 4.21Å; F246-V291 HydrophobicContact CD2-CG2 3.6Å; F246-V291 HydrophobicContact CE2-CG2 3.76Å; F246-R294 WeakPolarHBondContact O-CG 3.37Å; F246-R294 PolarHBondContact O-NE 3.42Å; F246-R294 VanDerWaalsContact O-NE 3.13Å
247S84Confident81.6Confident38 Ų3851.3 Ų51.327%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-106.9-63168.2-176.60000110.8I292S247-I292 WeakPolarHBondContact CA-O 3.49Å; S247-I292 VanDerWaalsContact CB-O 3.24Å; S247-I292 WeakPolarHBondContact CB-O 3.47Å; S247-I292 PolarHBondContact N-O 2.86Å
248H87.1Confident81.9Confident25 Ų2557.1 Ų57.112%0.11628%0.283CS..EExtended strand (participates in β ladder)trans-165.7167.5-177.556.7-82000111F246 R267 I269 I292F246-H248 VanDerWaalsContact CE2-C 3.42Å; H248-R267 HydrophobicContact CB-CG 4.27Å; H248-R267 PolarHBondContact CD2-NE 3.37Å; H248-I269 HydrophobicContact CB-CG1 3.99Å; H248-I292 PolarHBondContact N-O 3.33Å; H248-I292 WeakPolarHBondContact O-CB 3.38Å; H248-I292 PolarHBondContact O-N 3.19Å
249Y87.7Confident82.1Confident10 Ų1059.5 Ų59.54%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-95152.2165-61.3-78000110.3V217 W235 L238 F246 S268 L272 V289 R290 V291V217-Y249 HydrophobicContact CG2-CD1 4.23Å; V217-Y249 HydrophobicContact CG2-CE1 4.09Å; W235-Y249 HydrophobicContact CZ2-CD2 4.15Å; W235-Y249 HydrophobicContact CZ2-CG 4.17Å; W235-Y249 AromaticContact NE1-CD1 3.67Å; W235-Y249 AromaticContact NE1-CD2 3.47Å; W235-Y249 AromaticContact NE1-CE1 3.86Å; W235-Y249 AromaticContact NE1-CE2 3.66Å; W235-Y249 AromaticContact NE1-CG 3.49Å; W235-Y249 AromaticContact NE1-CZ 3.86Å; L238-Y249 HydrophobicContact CG-CE1 4.33Å; L238-Y249 PolarHBondContact N-OH 3.12Å; F246-Y249 HydrophobicContact CE2-CD1 4.25Å; F246-Y249 AromaticContact CE2-CD2 3.69Å; F246-Y249 HydrophobicContact CE2-CD2 3.69Å; F246-Y249 HydrophobicContact CE2-CE1 4.05Å; F246-Y249 AromaticContact CE2-CE2 3.45Å; F246-Y249 HydrophobicContact CE2-CE2 3.45Å; F246-Y249 VanDerWaalsContact CE2-CE2 3.45Å; F246-Y249 HydrophobicContact CE2-CG 4.07Å; F246-Y249 AromaticContact CE2-CZ 3.64Å; F246-Y249 AromaticContact CZ-CD2 3.59Å; F246-Y249 HydrophobicContact CZ-CD2 3.59Å; F246-Y249 AromaticContact CZ-CE2 3.46Å; F246-Y249 HydrophobicContact CZ-CE2 3.46Å; F246-Y249 VanDerWaalsContact CZ-CE2 3.46Å; F246-Y249 HydrophobicContact CZ-CG 4.34Å; Y249-S268 PolarHBondContact N-O 3.3Å; Y249-S268 PolarHBondContact O-N 2.94Å; Y249-L272 HydrophobicContact CE2-CD2 3.74Å; Y249-V289 HydrophobicContact CD1-CG1 4.02Å; Y249-V289 HydrophobicContact CG-CG1 4.35Å; Y249-R290 CarbonylContact C-O 3.56Å; Y249-R290 WeakPolarHBondContact CA-O 3.46Å; Y249-V291 HydrophobicContact CD1-CB 3.92Å; Y249-V291 HydrophobicContact CD1-CG2 4.03Å; Y249-V291 HydrophobicContact CE1-CB 3.92Å; Y249-V291 HydrophobicContact CE1-CG2 3.86Å
250V89.3Confident82.6Confident13 Ų1360 Ų608%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-120.3115.41671770000107.4I252 M265 I266 V289 R290 I292V250-I252 HydrophobicContact CG1-CG1 4.37Å; V250-M265 HydrophobicContact CG1-CB 4.18Å; V250-M265 HydrophobicContact CG1-CG 4.43Å; V250-I266 WeakPolarHBondContact CA-O 3.44Å; V250-V289 WeakPolarHBondContact O-CA 3.38Å; V250-R290 HydrophobicContact CB-CG 3.9Å; V250-R290 PolarHBondContact N-O 3.34Å; V250-R290 PolarHBondContact O-N 3.04Å; V250-I292 HydrophobicContact CG2-CD1 4.21Å; V250-I292 HydrophobicContact CG2-CG1 3.73Å
251M89.5Confident83.4Confident0 Ų059 Ų590%031%0.306CS..EExtended strand (participates in β ladder)trans-86.2132.4169.6-173.2-167.47000108.6V233 M265 I266 N274 I276 Y287 G288 V289V233-M251 HydrophobicContact CB-SD 3.82Å; V233-M251 HydrophobicContact CG1-CG 4.37Å; V233-M251 HydrophobicContact CG1-SD 3.77Å; V233-M251 HydrophobicContact CG2-SD 3.89Å; M251-M265 CarbonylContact O-C 3.58Å; M251-M265 WeakPolarHBondContact O-CA 3.14Å; M251-I266 HydrophobicContact CB-CB 4.46Å; M251-I266 HydrophobicContact CE-CB 3.8Å; M251-I266 HydrophobicContact CE-CD1 3.32Å; M251-I266 HydrophobicContact CE-CG1 3.99Å; M251-I266 HydrophobicContact CE-CG2 4.4Å; M251-I266 PolarHBondContact N-O 3.31Å; M251-I266 PolarHBondContact O-N 2.96Å; M251-N274 HydrophobicContact SD-CB 4.13Å; M251-I276 HydrophobicContact CE-CD1 3.5Å; M251-I276 HydrophobicContact CE-CG1 3.95Å; M251-Y287 HydrophobicContact SD-CD1 4.22Å; M251-G288 CarbonylContact C-O 3.47Å; M251-G288 WeakPolarHBondContact CA-O 3.23Å; M251-V289 HydrophobicContact CB-CG2 4.34Å; M251-V289 HydrophobicContact CG-CG2 4.14Å
252I89.3Confident84.2Confident17 Ų1757.4 Ų57.49%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-110.3133.6179.5-60.3170.4000106.8V250 L263 M265 Y287 G288 V301V250-I252 HydrophobicContact CG1-CG1 4.37Å; I252-L263 HydrophobicContact CG2-CD1 3.69Å; I252-M265 HydrophobicContact CG1-CG 4.44Å; I252-Y287 CarbonylContact O-C 3.55Å; I252-Y287 VanDerWaalsContact O-CA 3.31Å; I252-Y287 WeakPolarHBondContact O-CA 3.46Å; I252-G288 PolarHBondContact N-O 3.49Å; I252-G288 PolarHBondContact O-N 2.83Å; I252-V301 HydrophobicContact CD1-CB 4.41Å; I252-V301 HydrophobicContact CD1-CG1 3.9Å; I252-V301 HydrophobicContact CD1-CG2 3.52Å
253Q90.1Very high84.8Confident7 Ų761.5 Ų61.53%0.03332%0.317CS..EExtended strand (participates in β ladder)trans-127.6125.6176.4174.5-178.42.100108.9L263 Q264 Y285 E286 Y287Q253-L263 WeakPolarHBondContact O-CA 3.37Å; Q253-Q264 HydrophobicContact CB-CB 4.33Å; Q253-Q264 PolarHBondContact N-O 2.93Å; Q253-Q264 PolarHBondContact O-N 3.2Å; Q253-Y285 HydrophobicContact CG-CD1 4.09Å; Q253-E286 CarbonylContact C-O 3.6Å; Q253-E286 WeakPolarHBondContact CA-O 3.49Å; Q253-Y287 HydrophobicContact CB-CD1 3.97Å; Q253-Y287 HydrophobicContact CB-CE1 3.79Å; Q253-Y287 HydrophobicContact CG-CD1 4.12Å; Q253-Y287 HydrophobicContact CG-CE1 3.52Å; Q253-Y287 PolarHBondContact NE2-OH 2.78Å
254H89.1Confident85.4Confident47 Ų4758.4 Ų58.422%0.21831%0.31CS..EExtended strand (participates in β ladder)trans-105.4119.6165.9-55.1156.9000108.6T261 Y262 L263 Y285 E286H254-T261 HydrophobicContact CB-CG2 4.08Å; H254-Y262 CarbonylContact C-O 3.44Å; H254-Y262 WeakPolarHBondContact CA-O 3.25Å; H254-L263 VanDerWaalsContact CD2-CD1 3.41Å; H254-L263 WeakPolarHBondContact CD2-CD1 3.45Å; H254-Y285 CarbonylContact O-C 3.56Å; H254-Y285 VanDerWaalsContact O-CA 3.23Å; H254-Y285 WeakPolarHBondContact O-CA 3.49Å; H254-E286 HydrophobicContact CB-CB 4.18Å; H254-E286 PolarHBondContact N-O 2.89Å; H254-E286 IonicContact ND1-OE2 2.7Å; H254-E286 PolarHBondContact O-N 2.65Å
255E89.1Confident86.1Confident21 Ų2156.5 Ų56.510%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-97.5121.2167178.7178.4169.900109.3R257 T261 Y262 H280 S283 Y285E255-R257 HydrophobicContact CG-CB 4.41Å; E255-T261 CarbonylContact O-C 3.59Å; E255-T261 VanDerWaalsContact O-CA 3.26Å; E255-T261 WeakPolarHBondContact O-CA 3.37Å; E255-Y262 PolarHBondContact N-O 3.15Å; E255-Y262 PolarHBondContact O-N 2.85Å; E255-H280 IonicContact OE1-CE1 3.7Å; E255-H280 IonicContact OE1-CG 3.92Å; E255-H280 IonicContact OE1-ND1 3.53Å; E255-H280 PolarHBondContact OE1-ND1 2.75Å; E255-H280 IonicContact OE2-CE1 3.59Å; E255-H280 IonicContact OE2-ND1 2.99Å; E255-H280 PolarHBondContact OE2-ND1 2.9Å; E255-S283 PolarHBondContact OE1-OG 2.82Å; E255-Y285 HydrophobicContact CB-CD1 3.8Å; E255-Y285 HydrophobicContact CB-CE1 3.49Å; E255-Y285 VanDerWaalsContact CB-CE1 3.49Å; E255-Y285 HydrophobicContact CG-CD1 4.06Å; E255-Y285 HydrophobicContact CG-CE1 3.45Å; E255-Y285 VanDerWaalsContact CG-CE1 3.45Å; E255-Y285 HydrophobicContact CG-CE2 4.38Å; E255-Y285 PolarHBondContact OE1-OH 2.87Å; E255-Y285 PolarHBondContact OE2-OH 2.85Å
256K89.9Confident86.5Confident83 Ų8357.8 Ų57.836%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-101.7110.4172.6-64.6176.1-179.2172.20108.8T260 T261 S283 T284 E286K256-T260 WeakPolarHBondContact CA-O 3.42Å; K256-T261 HydrophobicContact CG-CG2 4.32Å; K256-S283 WeakPolarHBondContact O-CA 3.47Å; K256-T284 PolarHBondContact N-O 2.83Å; K256-T284 PolarHBondContact O-N 3.27Å; K256-E286 WeakPolarHBondContact CE-OE2 3.46Å; K256-E286 IonicContact NZ-OE1 3.27Å; K256-E286 PolarHBondContact NZ-OE1 2.85Å; K256-E286 IonicContact NZ-OE2 3.63Å; K256-E286 PolarHBondContact NZ-OE2 2.9Å; K256-E286 VanDerWaalsContact NZ-OE2 3.15Å
257R85.7Confident86.7Confident75 Ų7563.2 Ų63.228%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-135.2123.1-178.4-171.2177.167.4-176.50.3110.5E255 G259 T260 Y262 H280 S283E255-R257 HydrophobicContact CG-CB 4.41Å; R257-G259 PolarHBondContact O-N 2.92Å; R257-T260 PolarHBondContact N-O 2.82Å; R257-T260 PolarHBondContact O-N 2.95Å; R257-Y262 HydrophobicContact CB-CE2 4.18Å; R257-Y262 PolarHBondContact NH2-OH 2.81Å; R257-H280 PolarHBondContact NH1-CD2 3.13Å; R257-H280 PolarHBondContact NH1-CE1 2.78Å; R257-H280 VanDerWaalsContact NH1-CE1 3.34Å; R257-H280 PolarHBondContact NH1-ND1 3.32Å; R257-H280 PolarHBondContact NH1-NE2 2.79Å; R257-S283 WeakPolarHBondContact CB-OG 3.34Å; R257-S283 WeakPolarHBondContact CD-OG 3.45Å; R257-S283 WeakPolarHBondContact CG-OG 3.25Å
258N85Confident86.5Confident163 Ų16361.7 Ų61.787%0.87232%0.32SS*.THydrogen-bonded Turntrans51.738.3177.8-60.4-15.2000114T260N258-T260 PolarHBondContact O-N 3.1Å
259G82.2Confident86.2Confident86 Ų8663.7 Ų63.789%0.88733%0.331SS*.THydrogen-bonded Turntrans81.1-8.8-177.400000115.2R257R257-G259 PolarHBondContact O-N 2.92Å
260T82.2Confident85.2Confident69 Ų6970.1 Ų70.142%0.42336%0.355SS..EExtended strand (participates in β ladder)trans-94.3138.9175.3-54.60000110.4K256 R257 N258 Y262K256-T260 WeakPolarHBondContact CA-O 3.42Å; R257-T260 PolarHBondContact N-O 2.82Å; R257-T260 PolarHBondContact O-N 2.95Å; N258-T260 PolarHBondContact O-N 3.1Å; T260-Y262 HydrophobicContact CG2-CD2 4.39Å; T260-Y262 HydrophobicContact CG2-CE1 4.15Å; T260-Y262 HydrophobicContact CG2-CE2 3.82Å
261T86.4Confident84.3Confident86 Ų8672.7 Ų72.753%0.52837%0.366SS..EExtended strand (participates in β ladder)trans-106.5125.5173.8-55.30000110.3H254 E255 K256H254-T261 HydrophobicContact CB-CG2 4.08Å; E255-T261 CarbonylContact O-C 3.59Å; E255-T261 VanDerWaalsContact O-CA 3.26Å; E255-T261 WeakPolarHBondContact O-CA 3.37Å; K256-T261 HydrophobicContact CG-CG2 4.32Å
262Y85.8Confident84Confident107 Ų10776 Ų7642%0.4238%0.384SS..EExtended strand (participates in β ladder)trans-107.4132.9174.6-55.3-91.9000109.5H254 E255 R257 T260H254-Y262 CarbonylContact C-O 3.44Å; H254-Y262 WeakPolarHBondContact CA-O 3.25Å; E255-Y262 PolarHBondContact N-O 3.15Å; E255-Y262 PolarHBondContact O-N 2.85Å; R257-Y262 HydrophobicContact CB-CE2 4.18Å; R257-Y262 PolarHBondContact NH2-OH 2.81Å; T260-Y262 HydrophobicContact CG2-CD2 4.39Å; T260-Y262 HydrophobicContact CG2-CE1 4.15Å; T260-Y262 HydrophobicContact CG2-CE2 3.82Å
263L86.7Confident83.8Confident109 Ų10978.8 Ų78.857%0.57140%0.399SS*.EExtended strand (participates in β ladder)trans-106.6132.1-179.2171.765.9000110.2I252 Q253 H254I252-L263 HydrophobicContact CG2-CD1 3.69Å; Q253-L263 WeakPolarHBondContact O-CA 3.37Å; H254-L263 VanDerWaalsContact CD2-CD1 3.41Å; H254-L263 WeakPolarHBondContact CD2-CD1 3.45Å
264Q84.8Confident83.5Confident102 Ų10280.4 Ų80.448%0.47741%0.408SS..EExtended strand (participates in β ladder)trans-129.6137.4170.2-169175.812.500110.2Q253 I266Q253-Q264 HydrophobicContact CB-CB 4.33Å; Q253-Q264 PolarHBondContact N-O 2.93Å; Q253-Q264 PolarHBondContact O-N 3.2Å; Q264-I266 HydrophobicContact CG-CD1 4.27Å; Q264-I266 HydrophobicContact CG-CG1 4.13Å
265M86.2Confident83.1Confident114 Ų11479.8 Ų79.856%0.56241%0.406SS*.EExtended strand (participates in β ladder)trans-118.4128.1174.4-69.5-173.4-75.200109.8V250 M251 I252V250-M265 HydrophobicContact CG1-CB 4.18Å; V250-M265 HydrophobicContact CG1-CG 4.43Å; M251-M265 CarbonylContact O-C 3.58Å; M251-M265 WeakPolarHBondContact O-CA 3.14Å; I252-M265 HydrophobicContact CG1-CG 4.44Å
266I84.6Confident82.9Confident33 Ų3379.5 Ų79.517%0.16941%0.405CS..EExtended strand (participates in β ladder)trans-123.7121.1-175.7-62.9168.7000109V250 M251 Q264 N274 I276V250-I266 WeakPolarHBondContact CA-O 3.44Å; M251-I266 HydrophobicContact CB-CB 4.46Å; M251-I266 HydrophobicContact CE-CB 3.8Å; M251-I266 HydrophobicContact CE-CD1 3.32Å; M251-I266 HydrophobicContact CE-CG1 3.99Å; M251-I266 HydrophobicContact CE-CG2 4.4Å; M251-I266 PolarHBondContact N-O 3.31Å; M251-I266 PolarHBondContact O-N 2.96Å; Q264-I266 HydrophobicContact CG-CD1 4.27Å; Q264-I266 HydrophobicContact CG-CG1 4.13Å; I266-N274 VanDerWaalsContact CG2-ND2 3.35Å; I266-N274 WeakPolarHBondContact CG2-ND2 3.24Å; I266-I276 HydrophobicContact CD1-CD1 3.45Å; I266-I276 VanDerWaalsContact CD1-CD1 3.45Å
267R86.6Confident82.5Confident123 Ų12382.2 Ų82.246%0.46441%0.414SS..EExtended strand (participates in β ladder)trans-81128.7177.7-179.2168.8-176.8-169.6-2110.3H248 I269H248-R267 HydrophobicContact CB-CG 4.27Å; H248-R267 PolarHBondContact CD2-NE 3.37Å; R267-I269 HydrophobicContact CG-CG1 4.36Å
268S79.4Confident82.1Confident5 Ų582.9 Ų82.94%0.03542%0.423CS..EExtended strand (participates in β ladder)trans-122.6118.5175.6176.70000110.9Y249 H271Y249-S268 PolarHBondContact N-O 3.3Å; Y249-S268 PolarHBondContact O-N 2.94Å; S268-H271 WeakPolarHBondContact OG-CB 3.45Å; S268-H271 PolarHBondContact OG-O 3.07Å
269I80.7Confident82.1Confident67 Ų6775.5 Ų75.534%0.34438%0.383SS..SBendtrans-102.4113.7178.9-58.1168.5000107.7H248 R267 H271H248-I269 HydrophobicContact CB-CG1 3.99Å; R267-I269 HydrophobicContact CG-CG1 4.36Å; I269-H271 PolarHBondContact O-CD2 3.34Å; I269-H271 PolarHBondContact O-N 2.98Å
270W65.8Low82.2Confident145 Ų14574 Ų7455%0.54935%0.353SS..SBendtrans63.8-9.1-179.7-55.7107.9000118.1R243 F246R243-W270 HydrophobicContact CG-CZ3 4.36Å; F246-W270 HydrophobicContact CD1-CD2 4.36Å; F246-W270 HydrophobicContact CD1-CE3 4.13Å; F246-W270 AromaticContact CD1-CH2 3.91Å; F246-W270 HydrophobicContact CD1-CH2 3.91Å; F246-W270 HydrophobicContact CD1-CZ2 4.15Å; F246-W270 AromaticContact CD1-CZ3 3.9Å; F246-W270 HydrophobicContact CD1-CZ3 3.9Å; F246-W270 AromaticContact CE1-CD2 3.97Å; F246-W270 HydrophobicContact CE1-CD2 3.97Å; F246-W270 AromaticContact CE1-CE3 3.95Å; F246-W270 HydrophobicContact CE1-CE3 3.95Å; F246-W270 HydrophobicContact CE1-CG 4.5Å; F246-W270 HydrophobicContact CE1-CH2 4.47Å; F246-W270 HydrophobicContact CE1-CZ2 4.5Å; F246-W270 HydrophobicContact CE1-CZ3 4.21Å
271H70.9Confident82.3Confident67 Ų6776 Ų7631%0.3136%0.358SS..  trans-86.3140175.2-51.8-75.4000110.9W235 S268 I269 T332W235-H271 WeakPolarHBondContact CZ2-O 3.31Å; S268-H271 WeakPolarHBondContact OG-CB 3.45Å; S268-H271 PolarHBondContact OG-O 3.07Å; I269-H271 PolarHBondContact O-CD2 3.34Å; I269-H271 PolarHBondContact O-N 2.98Å; H271-T332 PolarHBondContact NE2-OG1 2.78Å
272L83.6Confident82.1Confident70 Ų7075.2 Ų75.237%0.36637%0.366SS..SBendtrans-103.415178.2-62-177.2000112.1S234 W235 Y249S234-L272 CarbonylContact C-O 3.57Å; S234-L272 VanDerWaalsContact CA-O 3.29Å; S234-L272 WeakPolarHBondContact CA-O 3.27Å; W235-L272 PolarHBondContact N-O 2.84Å; W235-L272 WeakPolarHBondContact O-CB 3.44Å; Y249-L272 HydrophobicContact CE2-CD2 3.74Å
273N84.5Confident82.2Confident75 Ų7570.2 Ų70.240%0.40135%0.347SS..EExtended strand (participates in β ladder)trans-152.5163.817559.352.3000111.4V233V233-N273 CarbonylContact O-C 3.59Å; V233-N273 WeakPolarHBondContact O-CA 3.44Å; V233-N273 VanDerWaalsContact O-CB 3.29Å; V233-N273 WeakPolarHBondContact O-CB 3.11Å
274N83.5Confident82.5Confident42 Ų4267.3 Ų67.323%0.22533%0.334CS..EExtended strand (participates in β ladder)trans-149.2151.6171.8-150.4-42.1000110.1V233 M251 I266V233-N274 PolarHBondContact N-O 2.87Å; V233-N274 PolarHBondContact O-N 3.16Å; M251-N274 HydrophobicContact SD-CB 4.13Å; I266-N274 VanDerWaalsContact CG2-ND2 3.35Å; I266-N274 WeakPolarHBondContact CG2-ND2 3.24Å
275I82Confident82.8Confident34 Ų3462.5 Ų62.517%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-116.9121.6174.4-54.7-178.8000108.2A230 H231 V232 Y277 W329A230-I275 HydrophobicContact CB-CG2 4.08Å; H231-I275 CarbonylContact O-C 3.47Å; H231-I275 WeakPolarHBondContact O-CA 3.35Å; V232-I275 HydrophobicContact CG2-CG1 4.26Å; I275-Y277 HydrophobicContact CB-CE2 4.09Å; I275-Y277 HydrophobicContact CG2-CD2 4.25Å; I275-Y277 HydrophobicContact CG2-CE1 4.02Å; I275-Y277 HydrophobicContact CG2-CE2 3.7Å; I275-W329 HydrophobicContact CD1-CE3 4.37Å; I275-W329 HydrophobicContact CD1-CH2 4.16Å; I275-W329 HydrophobicContact CD1-CZ3 3.67Å
276I84.5Confident83.2Confident15 Ų1558.7 Ų58.78%0.07729%0.292CS..EExtended strand (participates in β ladder)trans-105.1116.4-180-49.8-54.4000108.3A230 H231 V233 M251 I266 I279 Y287A230-I276 CarbonylContact C-O 3.48Å; A230-I276 WeakPolarHBondContact CA-O 3.33Å; A230-I276 WeakPolarHBondContact CB-O 3.07Å; H231-I276 PolarHBondContact N-O 3.11Å; H231-I276 PolarHBondContact O-N 2.92Å; V233-I276 HydrophobicContact CG2-CG1 4.49Å; M251-I276 HydrophobicContact CE-CD1 3.5Å; M251-I276 HydrophobicContact CE-CG1 3.95Å; I266-I276 HydrophobicContact CD1-CD1 3.45Å; I266-I276 VanDerWaalsContact CD1-CD1 3.45Å; I276-I279 HydrophobicContact CB-CD1 4.23Å; I276-I279 HydrophobicContact CG2-CD1 3.82Å; I276-Y287 HydrophobicContact CG1-CE1 4.14Å
277Y81.2Confident83.6Confident140 Ų14057.1 Ų57.155%0.54928%0.284SS..  trans-91.8179.1177.6-63.1-84.2000111A230 I275 I279A230-Y277 HydrophobicContact CB-CD1 3.89Å; A230-Y277 HydrophobicContact CB-CE1 4.2Å; I275-Y277 HydrophobicContact CB-CE2 4.09Å; I275-Y277 HydrophobicContact CG2-CD2 4.25Å; I275-Y277 HydrophobicContact CG2-CE1 4.02Å; I275-Y277 HydrophobicContact CG2-CE2 3.7Å; Y277-I279 VanDerWaalsContact C-N 3.27Å; Y277-I279 PolarHBondContact O-N 3.12Å
278D78.5Confident83.8Confident89 Ų8951.2 Ų51.248%0.47626%0.262SS..  trans57.237.3176.7-60.2-21.8000113.9H280 R372D278-H280 PolarHBondContact O-N 3.11Å; D278-R372 IonicContact OD2-NE 2.9Å
279I84.3Confident84.3Confident8 Ų851 Ų514%0.04126%0.26CS..PPolyproline II helixtrans-67.7125.4176.5-58.6-55.5000109.1M229 H231 I276 Y277 Y285 A309M229-I279 WeakPolarHBondContact CE-O 3.29Å; M229-I279 VanDerWaalsContact O-CB 3.29Å; M229-I279 WeakPolarHBondContact O-CB 3.29Å; M229-I279 VanDerWaalsContact O-CG1 3.28Å; M229-I279 WeakPolarHBondContact O-CG1 3.05Å; M229-I279 PolarHBondContact O-N 2.89Å; M229-I279 VanDerWaalsContact O-N 3.1Å; H231-I279 HydrophobicContact CB-CD1 4.31Å; H231-I279 HydrophobicContact CB-CG1 4.47Å; H231-I279 VanDerWaalsContact CE1-CG2 3.47Å; H231-I279 WeakPolarHBondContact CE1-CG2 3.44Å; I276-I279 HydrophobicContact CB-CD1 4.23Å; I276-I279 HydrophobicContact CG2-CD1 3.82Å; Y277-I279 VanDerWaalsContact C-N 3.27Å; Y277-I279 PolarHBondContact O-N 3.12Å; I279-Y285 HydrophobicContact CB-CE2 4.48Å; I279-Y285 HydrophobicContact CD1-CE1 4.24Å; I279-Y285 HydrophobicContact CG2-CD2 4.06Å; I279-Y285 HydrophobicContact CG2-CE2 3.39Å; I279-A309 HydrophobicContact CG2-CB 3.34Å
280H84Confident84.7Confident53 Ų5350.7 Ų50.725%0.24526%0.255CS..PPolyproline II helixtrans-78.2128.2-179.9-60.7103.5000110.8E255 R257 D278 S283 Y285 A309E255-H280 IonicContact OE1-CE1 3.7Å; E255-H280 IonicContact OE1-CG 3.92Å; E255-H280 IonicContact OE1-ND1 3.53Å; E255-H280 PolarHBondContact OE1-ND1 2.75Å; E255-H280 IonicContact OE2-CE1 3.59Å; E255-H280 IonicContact OE2-ND1 2.99Å; E255-H280 PolarHBondContact OE2-ND1 2.9Å; R257-H280 PolarHBondContact NH1-CD2 3.13Å; R257-H280 PolarHBondContact NH1-CE1 2.78Å; R257-H280 VanDerWaalsContact NH1-CE1 3.34Å; R257-H280 PolarHBondContact NH1-ND1 3.32Å; R257-H280 PolarHBondContact NH1-NE2 2.79Å; D278-H280 PolarHBondContact O-N 3.11Å; H280-S283 WeakPolarHBondContact CB-OG 3.18Å; H280-S283 WeakPolarHBondContact O-CB 3.42Å; H280-S283 PolarHBondContact O-N 3.28Å; H280-Y285 PolarHBondContact N-OH 2.83Å; H280-Y285 PolarHBondContact ND1-OH 2.84Å; H280-A309 WeakPolarHBondContact O-CB 3.34Å
281E84Confident85.7Confident113 Ų11343.8 Ų43.853%0.52823%0.228SC..THydrogen-bonded Turntrans-61.5138.1172.2-170.9172.3-15700110.6M229 S283 S311M229-E281 HydrophobicContact CE-CB 4.08Å; E281-S283 PolarHBondContact O-N 2.95Å; E281-S311 VanDerWaalsContact OE1-CB 3.25Å; E281-S311 WeakPolarHBondContact OE1-CB 3.48Å; E281-S311 PolarHBondContact OE1-OG 3.28Å
282G83.2Confident86.4Confident69 Ų6941.7 Ų41.771%0.71122%0.219SC*.THydrogen-bonded Turntrans80-7.8-177.100000115.1
283S88Confident86.4Confident1 Ų138.4 Ų38.41%0.00720%0.202CC..  trans-79.6147.8170-68.50000111.3E255 K256 R257 H280 E281 Y285 A309E255-S283 PolarHBondContact OE1-OG 2.82Å; K256-S283 WeakPolarHBondContact O-CA 3.47Å; R257-S283 WeakPolarHBondContact CB-OG 3.34Å; R257-S283 WeakPolarHBondContact CD-OG 3.45Å; R257-S283 WeakPolarHBondContact CG-OG 3.25Å; H280-S283 WeakPolarHBondContact CB-OG 3.18Å; H280-S283 WeakPolarHBondContact O-CB 3.42Å; H280-S283 PolarHBondContact O-N 3.28Å; E281-S283 PolarHBondContact O-N 2.95Å; S283-Y285 VanDerWaalsContact CB-CE2 3.47Å; S283-A309 PolarHBondContact O-N 2.77Å
284T91.5Very high86.1Confident49 Ų4943 Ų4330%0.30121%0.214SC..EExtended strand (participates in β ladder)trans-106.1133.4166.6-59.90000109.1K256 S308K256-T284 PolarHBondContact N-O 2.83Å; K256-T284 PolarHBondContact O-N 3.27Å; T284-S308 PolarHBondContact OG1-OG 2.93Å
285Y92.6Very high85.6Confident1 Ų144.5 Ų44.50%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-112.9141.7-177.8-67.5-93.7000110.6H231 Q253 H254 E255 I279 H280 S283 Y287 S306 I307 A309H231-Y285 AromaticContact CE1-CD2 3.53Å; H231-Y285 AromaticContact CE1-CG 3.86Å; Q253-Y285 HydrophobicContact CG-CD1 4.09Å; H254-Y285 CarbonylContact O-C 3.56Å; H254-Y285 VanDerWaalsContact O-CA 3.23Å; H254-Y285 WeakPolarHBondContact O-CA 3.49Å; E255-Y285 HydrophobicContact CB-CD1 3.8Å; E255-Y285 HydrophobicContact CB-CE1 3.49Å; E255-Y285 VanDerWaalsContact CB-CE1 3.49Å; E255-Y285 HydrophobicContact CG-CD1 4.06Å; E255-Y285 HydrophobicContact CG-CE1 3.45Å; E255-Y285 VanDerWaalsContact CG-CE1 3.45Å; E255-Y285 HydrophobicContact CG-CE2 4.38Å; E255-Y285 PolarHBondContact OE1-OH 2.87Å; E255-Y285 PolarHBondContact OE2-OH 2.85Å; I279-Y285 HydrophobicContact CB-CE2 4.48Å; I279-Y285 HydrophobicContact CD1-CE1 4.24Å; I279-Y285 HydrophobicContact CG2-CD2 4.06Å; I279-Y285 HydrophobicContact CG2-CE2 3.39Å; H280-Y285 PolarHBondContact N-OH 2.83Å; H280-Y285 PolarHBondContact ND1-OH 2.84Å; S283-Y285 VanDerWaalsContact CB-CE2 3.47Å; Y285-Y287 HydrophobicContact CG-CE2 4.42Å; Y285-S306 CarbonylContact O-C 3.56Å; Y285-S306 VanDerWaalsContact O-CA 3.27Å; Y285-S306 WeakPolarHBondContact O-CA 3.33Å; Y285-I307 PolarHBondContact N-O 3.34Å; Y285-I307 PolarHBondContact O-N 3.32Å; Y285-A309 HydrophobicContact CE2-CB 4.44Å
286E93.2Very high85Confident33 Ų3351.6 Ų51.615%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-120.8128.7169.3-59.4175.3159.900108.8Q253 H254 K256 V305Q253-E286 CarbonylContact C-O 3.6Å; Q253-E286 WeakPolarHBondContact CA-O 3.49Å; H254-E286 HydrophobicContact CB-CB 4.18Å; H254-E286 PolarHBondContact N-O 2.89Å; H254-E286 IonicContact ND1-OE2 2.7Å; H254-E286 PolarHBondContact O-N 2.65Å; K256-E286 WeakPolarHBondContact CE-OE2 3.46Å; K256-E286 IonicContact NZ-OE1 3.27Å; K256-E286 PolarHBondContact NZ-OE1 2.85Å; K256-E286 IonicContact NZ-OE2 3.63Å; K256-E286 PolarHBondContact NZ-OE2 2.9Å; K256-E286 VanDerWaalsContact NZ-OE2 3.15Å; E286-V305 WeakPolarHBondContact CA-O 3.47Å
287Y92.9Very high84.4Confident0 Ų052.8 Ų52.80%026%0.257CS..EExtended strand (participates in β ladder)trans-113.3139.5178.6-66-84.5000110.9L220 V222 H231 V233 M251 I252 Q253 I276 Y285 L304 V305 I307L220-Y287 VanDerWaalsContact CD2-O 3.25Å; L220-Y287 WeakPolarHBondContact CD2-O 3.35Å; V222-Y287 HydrophobicContact CB-CD2 4.42Å; V222-Y287 HydrophobicContact CG1-CD2 3.8Å; V222-Y287 HydrophobicContact CG1-CE2 3.93Å; V222-Y287 HydrophobicContact CG2-CD2 3.83Å; V222-Y287 HydrophobicContact CG2-CG 4.11Å; H231-Y287 HydrophobicContact CB-CE2 4.25Å; H231-Y287 AromaticContact ND1-CE2 3.44Å; H231-Y287 WeakPolarHBondContact ND1-CE2 3.41Å; H231-Y287 AromaticContact ND1-CZ 3.53Å; H231-Y287 PolarHBondContact ND1-OH 2.8Å; V233-Y287 HydrophobicContact CG2-CD1 3.67Å; V233-Y287 HydrophobicContact CG2-CD2 4.37Å; V233-Y287 HydrophobicContact CG2-CE1 3.84Å; V233-Y287 HydrophobicContact CG2-CG 3.95Å; M251-Y287 HydrophobicContact SD-CD1 4.22Å; I252-Y287 CarbonylContact O-C 3.55Å; I252-Y287 VanDerWaalsContact O-CA 3.31Å; I252-Y287 WeakPolarHBondContact O-CA 3.46Å; Q253-Y287 HydrophobicContact CB-CD1 3.97Å; Q253-Y287 HydrophobicContact CB-CE1 3.79Å; Q253-Y287 HydrophobicContact CG-CD1 4.12Å; Q253-Y287 HydrophobicContact CG-CE1 3.52Å; Q253-Y287 PolarHBondContact NE2-OH 2.78Å; I276-Y287 HydrophobicContact CG1-CE1 4.14Å; Y285-Y287 HydrophobicContact CG-CE2 4.42Å; Y287-L304 CarbonylContact O-C 3.48Å; Y287-L304 VanDerWaalsContact O-CA 3.29Å; Y287-L304 WeakPolarHBondContact O-CA 3.44Å; Y287-V305 PolarHBondContact N-O 3.05Å; Y287-V305 PolarHBondContact O-N 3.31Å; Y287-I307 HydrophobicContact CD2-CG2 4.09Å; Y287-I307 HydrophobicContact CE2-CG2 3.72Å
288G92.3Very high84Confident0 Ų052.9 Ų52.90%026%0.258CS..EExtended strand (participates in β ladder)trans-136.3158.817000000110.9M251 I252M251-G288 CarbonylContact C-O 3.47Å; M251-G288 WeakPolarHBondContact CA-O 3.23Å; I252-G288 PolarHBondContact N-O 3.49Å; I252-G288 PolarHBondContact O-N 2.83Å
289V89.6Confident83.9Confident0 Ų048.8 Ų48.80%024%0.236CC..EExtended strand (participates in β ladder)trans-133133.4174.7-179.20000108.8V217 L220 W235 Y249 V250 M251 S302V217-V289 HydrophobicContact CB-CG1 4.5Å; V217-V289 HydrophobicContact CG1-CB 4.38Å; V217-V289 HydrophobicContact CG1-CG1 4.14Å; V217-V289 HydrophobicContact CG2-CG1 4.45Å; L220-V289 HydrophobicContact CD1-CG2 3.69Å; L220-V289 HydrophobicContact CD2-CG2 4.5Å; W235-V289 HydrophobicContact CD2-CB 4.48Å; W235-V289 HydrophobicContact CD2-CG1 4.03Å; W235-V289 HydrophobicContact CD2-CG2 3.91Å; W235-V289 HydrophobicContact CE3-CG2 3.71Å; W235-V289 HydrophobicContact CG-CG1 4.14Å; W235-V289 HydrophobicContact CG-CG2 4.3Å; W235-V289 HydrophobicContact CZ2-CG1 4.47Å; W235-V289 HydrophobicContact CZ3-CG2 4.17Å; Y249-V289 HydrophobicContact CD1-CG1 4.02Å; Y249-V289 HydrophobicContact CG-CG1 4.35Å; V250-V289 WeakPolarHBondContact O-CA 3.38Å; M251-V289 HydrophobicContact CB-CG2 4.34Å; M251-V289 HydrophobicContact CG-CG2 4.14Å; V289-S302 PolarHBondContact N-OG 3.1Å; V289-S302 WeakPolarHBondContact O-CB 3.12Å; V289-S302 PolarHBondContact O-N 3.18Å; V289-S302 PolarHBondContact O-OG 3.31Å
290R89Confident83.7Confident60 Ų6054.5 Ų54.523%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-121.8154.416964.8178178.6-178.8-2.2110.5Y249 V250 I292 V301Y249-R290 CarbonylContact C-O 3.56Å; Y249-R290 WeakPolarHBondContact CA-O 3.46Å; V250-R290 HydrophobicContact CB-CG 3.9Å; V250-R290 PolarHBondContact N-O 3.34Å; V250-R290 PolarHBondContact O-N 3.04Å; R290-I292 HydrophobicContact CG-CD1 4.41Å; R290-V301 HydrophobicContact CB-CG2 4.34Å
291V86.3Confident83.6Confident0 Ų054.7 Ų54.70%027%0.268CS..EExtended strand (participates in β ladder)trans-99.6141.5173.166.60000111.6V217 L238 F246 Y249 Y293 Y298 A299V217-V291 HydrophobicContact CG2-CB 4.04Å; V217-V291 HydrophobicContact CG2-CG1 4.29Å; L238-V291 HydrophobicContact CD1-CB 4.4Å; L238-V291 HydrophobicContact CD1-CG1 4.43Å; L238-V291 HydrophobicContact CD1-CG2 3.51Å; L238-V291 HydrophobicContact CD2-CB 4.38Å; L238-V291 HydrophobicContact CD2-CG1 4.04Å; L238-V291 HydrophobicContact CD2-CG2 4.33Å; L238-V291 HydrophobicContact CG-CG2 4.04Å; F246-V291 HydrophobicContact CD2-CG2 3.6Å; F246-V291 HydrophobicContact CE2-CG2 3.76Å; Y249-V291 HydrophobicContact CD1-CB 3.92Å; Y249-V291 HydrophobicContact CD1-CG2 4.03Å; Y249-V291 HydrophobicContact CE1-CB 3.92Å; Y249-V291 HydrophobicContact CE1-CG2 3.86Å; V291-Y293 HydrophobicContact CG1-CE1 4.39Å; V291-Y293 HydrophobicContact CG1-CE2 3.72Å; V291-Y293 WeakPolarHBondContact CG1-OH 3.31Å; V291-Y298 WeakPolarHBondContact O-CA 3.25Å; V291-A299 HydrophobicContact CG1-CB 3.41Å; V291-A299 VanDerWaalsContact CG1-CB 3.41Å; V291-A299 PolarHBondContact O-N 3.33Å
292I85.6Confident83.4Confident23 Ų2349.6 Ų49.612%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-111.4126.6174.5-50.9-60000108.6S247 H248 V250 R290 Y298S247-I292 WeakPolarHBondContact CA-O 3.49Å; S247-I292 VanDerWaalsContact CB-O 3.24Å; S247-I292 WeakPolarHBondContact CB-O 3.47Å; S247-I292 PolarHBondContact N-O 2.86Å; H248-I292 PolarHBondContact N-O 3.33Å; H248-I292 WeakPolarHBondContact O-CB 3.38Å; H248-I292 PolarHBondContact O-N 3.19Å; V250-I292 HydrophobicContact CG2-CD1 4.21Å; V250-I292 HydrophobicContact CG2-CG1 3.73Å; R290-I292 HydrophobicContact CG-CD1 4.41Å; I292-Y298 VanDerWaalsContact CD1-CB 3.47Å
293Y83Confident83.5Confident2 Ų254.2 Ų54.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-93.5157.1175.5-59.7-77.4000110.8P209 L215 L238 F242 C245 V291 N295 K296 I297 A299P209-Y293 HydrophobicContact CG-CD1 4.07Å; P209-Y293 HydrophobicContact CG-CD2 3.9Å; P209-Y293 HydrophobicContact CG-CE1 3.69Å; P209-Y293 HydrophobicContact CG-CE2 3.53Å; P209-Y293 HydrophobicContact CG-CG 4.16Å; P209-Y293 VanDerWaalsContact CG-CZ 3.41Å; L215-Y293 WeakPolarHBondContact CD1-OH 3.32Å; L238-Y293 HydrophobicContact CD1-CE1 3.83Å; F242-Y293 HydrophobicContact CB-CE1 4.23Å; C245-Y293 HydrophobicContact CB-CD1 4.06Å; C245-Y293 CarbonylContact O-C 3.48Å; C245-Y293 VanDerWaalsContact O-CA 3.25Å; C245-Y293 WeakPolarHBondContact O-CA 3.35Å; V291-Y293 HydrophobicContact CG1-CE1 4.39Å; V291-Y293 HydrophobicContact CG1-CE2 3.72Å; V291-Y293 WeakPolarHBondContact CG1-OH 3.31Å; Y293-N295 WeakPolarHBondContact CB-OD1 3.47Å; Y293-N295 PolarHBondContact O-N 2.83Å; Y293-K296 PolarHBondContact O-N 2.83Å; Y293-I297 HydrophobicContact CD2-CB 4.46Å; Y293-I297 HydrophobicContact CD2-CG2 4.41Å; Y293-I297 WeakPolarHBondContact CD2-O 3.29Å; Y293-I297 PolarHBondContact N-O 2.82Å; Y293-A299 HydrophobicContact CE2-CB 4.45Å
294R79.1Confident83.5Confident172 Ų17257.5 Ų57.565%0.64926%0.264SS*.THydrogen-bonded Turntrans-61.5-25.9-177.7-70.4180178.8-158-4.9113.6C245 F246 K296C245-R294 PolarHBondContact O-N 3.25Å; F246-R294 WeakPolarHBondContact O-CG 3.37Å; F246-R294 PolarHBondContact O-NE 3.42Å; F246-R294 VanDerWaalsContact O-NE 3.13Å; R294-K296 PolarHBondContact O-N 3.22Å
295N72.8Confident83.5Confident72 Ų7257 Ų5739%0.38526%0.261SS..THydrogen-bonded Turntrans-79.413.1173.563.9-10.5000113.3Y293 I297Y293-N295 WeakPolarHBondContact CB-OD1 3.47Å; Y293-N295 PolarHBondContact O-N 2.83Å; N295-I297 WeakPolarHBondContact ND2-CD1 3.38Å; N295-I297 PolarHBondContact O-N 3.05Å; N295-I297 VanDerWaalsContact O-N 3.12Å; N295-I297 WeakPolarHBondContact OD1-CB 3.28Å; N295-I297 PolarHBondContact OD1-N 2.56Å
296K70.2Confident83.5Confident183 Ų18360.6 Ų60.680%0.79629%0.287SS*.SBendtrans62.39.9-177.4-55.4-175.6178.3-176.50115Y293 R294Y293-K296 PolarHBondContact O-N 2.83Å; R294-K296 PolarHBondContact O-N 3.22Å
297I70.2Confident83.4Confident40 Ų4060.3 Ų60.321%0.20529%0.286CS..  trans-72135.2166-61.1-174.7000107.7P209 P211 L214 Y293 N295P209-I297 WeakPolarHBondContact O-CD1 3.41Å; P211-I297 HydrophobicContact CG-CD1 4.44Å; L214-I297 HydrophobicContact CD2-CG2 3.46Å; L214-I297 VanDerWaalsContact CD2-CG2 3.46Å; Y293-I297 HydrophobicContact CD2-CB 4.46Å; Y293-I297 HydrophobicContact CD2-CG2 4.41Å; Y293-I297 WeakPolarHBondContact CD2-O 3.29Å; Y293-I297 PolarHBondContact N-O 2.82Å; N295-I297 WeakPolarHBondContact ND2-CD1 3.38Å; N295-I297 PolarHBondContact O-N 3.05Å; N295-I297 VanDerWaalsContact O-N 3.12Å; N295-I297 WeakPolarHBondContact OD1-CB 3.28Å; N295-I297 PolarHBondContact OD1-N 2.56Å
298Y74.4Confident83Confident143 Ų14363.4 Ų63.456%0.56131%0.308SS*.BIsolated β-bridgetrans-113.9140.917451.9-91.7000109.6L214 V291 I292L214-Y298 WeakPolarHBondContact CD2-O 3.32Å; V291-Y298 WeakPolarHBondContact O-CA 3.25Å; I292-Y298 VanDerWaalsContact CD1-CB 3.47Å
299A75.5Confident82.2Confident2 Ų263.8 Ų63.82%0.01731%0.31CS..PPolyproline II helixtrans-73.1162.6169.500000111.8L215 V291 Y293L215-A299 WeakPolarHBondContact O-CB 3.14Å; V291-A299 HydrophobicContact CG1-CB 3.41Å; V291-A299 VanDerWaalsContact CG1-CB 3.41Å; V291-A299 PolarHBondContact O-N 3.33Å; Y293-A299 HydrophobicContact CE2-CB 4.45Å
300E80.8Confident81.2Confident128 Ų12868.4 Ų68.460%0.59834%0.339SS*.PPolyproline II helixtrans-57.1151.4164.4-65.7-170.7168.200110.8V216V216-E300 HydrophobicContact CG2-CB 4.45Å
301V80.5Confident79.8Confident58 Ų5867.1 Ų67.135%0.35234%0.339SS..PPolyproline II helixtrans-68.9136.9175-172.30000108I252 R290 L304I252-V301 HydrophobicContact CD1-CB 4.41Å; I252-V301 HydrophobicContact CD1-CG1 3.9Å; I252-V301 HydrophobicContact CD1-CG2 3.52Å; R290-V301 HydrophobicContact CB-CG2 4.34Å; V301-L304 HydrophobicContact CG1-CD2 4.38Å
302S81.5Confident78.4Confident5 Ų571.7 Ų71.74%0.03537%0.366CS..PPolyproline II helixtrans-51.2161.7168.470.70000111.2V217 L220 V289 L304V217-S302 WeakPolarHBondContact O-CB 3.4Å; L220-S302 WeakPolarHBondContact CD2-OG 3.26Å; V289-S302 PolarHBondContact N-OG 3.1Å; V289-S302 WeakPolarHBondContact O-CB 3.12Å; V289-S302 PolarHBondContact O-N 3.18Å; V289-S302 PolarHBondContact O-OG 3.31Å; S302-L304 PolarHBondContact O-N 3.27Å
303Q84.2Confident76.6Confident167 Ų16781 Ų8178%0.7840%0.4SS*.PPolyproline II helixtrans-47.9130.9168.3-177.5179.4-2.500110.3V305Q303-V305 PolarHBondContact O-N 3.32Å
304L88.7Confident74.3Confident69 Ų6985.3 Ų85.336%0.36143%0.43SS..PPolyproline II helixtrans-70.4125.4176.6-67.9175.6000109.6Y287 V301 S302Y287-L304 CarbonylContact O-C 3.48Å; Y287-L304 VanDerWaalsContact O-CA 3.29Å; Y287-L304 WeakPolarHBondContact O-CA 3.44Å; V301-L304 HydrophobicContact CG1-CD2 4.38Å; S302-L304 PolarHBondContact O-N 3.27Å
305V90.8Very high72.3Confident40 Ų4086.6 Ų86.624%0.24244%0.441CS..EExtended strand (participates in β ladder)trans-101.8115.6177179.10000108.7L220 V222 E286 Y287 Q303L220-V305 HydrophobicContact CB-CG2 4.26Å; L220-V305 HydrophobicContact CD2-CB 4.33Å; L220-V305 HydrophobicContact CD2-CG2 3.87Å; L220-V305 HydrophobicContact CG-CG2 3.91Å; V222-V305 HydrophobicContact CB-CG1 4.2Å; V222-V305 HydrophobicContact CG2-CB 4Å; V222-V305 HydrophobicContact CG2-CG1 3.82Å; E286-V305 WeakPolarHBondContact CA-O 3.47Å; Y287-V305 PolarHBondContact N-O 3.05Å; Y287-V305 PolarHBondContact O-N 3.31Å; Q303-V305 PolarHBondContact O-N 3.32Å
306S91.9Very high70.3Confident76 Ų7692 Ų9253%0.53146%0.464SS..EExtended strand (participates in β ladder)trans-84.5139.7177.8-60.70000111.5Y285Y285-S306 CarbonylContact O-C 3.56Å; Y285-S306 VanDerWaalsContact O-CA 3.27Å; Y285-S306 WeakPolarHBondContact O-CA 3.33Å
307I91.5Very high68.8Low26 Ų2688.6 Ų88.613%0.13346%0.461CS..EExtended strand (participates in β ladder)trans-146.9140.4173.9-166.2165.2000110.1V222 H224 Y285 Y287V222-I307 HydrophobicContact CB-CD1 4.32Å; V222-I307 HydrophobicContact CG1-CB 4.4Å; V222-I307 HydrophobicContact CG1-CD1 3.83Å; V222-I307 HydrophobicContact CG1-CG2 3.88Å; H224-I307 HydrophobicContact CB-CD1 3.67Å; H224-I307 HydrophobicContact CB-CG1 4.35Å; Y285-I307 PolarHBondContact N-O 3.34Å; Y285-I307 PolarHBondContact O-N 3.32Å; Y287-I307 HydrophobicContact CD2-CG2 4.09Å; Y287-I307 HydrophobicContact CE2-CG2 3.72Å
308S84.8Confident67.6Low66 Ų6692 Ų9246%0.46249%0.486SS..EExtended strand (participates in β ladder)trans-106.4141.6175.1-58.60000110T284T284-S308 PolarHBondContact OG1-OG 2.93Å
309A76.5Confident66.3Low7 Ų789.6 Ų89.66%0.05849%0.489CS..  trans-82124.4177.700000110.2M229 I279 H280 S283 Y285M229-A309 HydrophobicContact CE-CB 4.25Å; I279-A309 HydrophobicContact CG2-CB 3.34Å; H280-A309 WeakPolarHBondContact O-CB 3.34Å; S283-A309 PolarHBondContact O-N 2.77Å; Y285-A309 HydrophobicContact CE2-CB 4.44Å
310V67.6Low64.9Low98 Ų9895.6 Ų95.659%0.59452%0.517SS*.  trans-128.6118178.4-175.70000108.2H224H224-V310 PolarHBondContact NE2-N 3.2Å; H224-V310 PolarHBondContact NE2-O 2.87Å
311S61.1Low63.3Low32 Ų3294.9 Ų94.922%0.22451%0.512CS..  trans-71.9138.3173.574.30000110.3E281 R313E281-S311 VanDerWaalsContact OE1-CB 3.25Å; E281-S311 WeakPolarHBondContact OE1-CB 3.48Å; E281-S311 PolarHBondContact OE1-OG 3.28Å; S311-R313 PolarHBondContact O-N 2.78Å; S311-R313 VanDerWaalsContact O-N 3.16Å
312V56.3Low61.7Low96 Ų9699.2 Ų99.258%0.58253%0.528SS*.  trans-81.497.4171.5173.20000108.1P226 S314P226-V312 HydrophobicContact CB-CB 4.06Å; P226-V312 HydrophobicContact CB-CG2 3.35Å; P226-V312 HydrophobicContact CG-CG2 3.65Å; V312-S314 VanDerWaalsContact C-N 3.27Å; V312-S314 WeakPolarHBondContact CG1-O 3.48Å; V312-S314 PolarHBondContact O-N 2.81Å
313R47Very low60.3Low219 Ų219106.9 Ų106.983%0.82656%0.564SS**  trans-8460.4161-68.1-172.3-177.7-169.11.1110.4S311S311-R313 PolarHBondContact O-N 2.78Å; S311-R313 VanDerWaalsContact O-N 3.16Å
314S34.1Very low58.7Low92 Ų92101.5 Ų101.564%0.64354%0.539SS*.SBendtrans173.7133.5159.639.10000115.5V312V312-S314 VanDerWaalsContact C-N 3.27Å; V312-S314 WeakPolarHBondContact CG1-O 3.48Å; V312-S314 PolarHBondContact O-N 2.81Å
315K37.6Very low56.5Low199 Ų199108.3 Ų108.387%0.86556%0.559SS**  trans28.5106.4148.5-66.9179.8174.3-179.30120.2
316E30.7Very low54.4Low187 Ų187113.4 Ų113.487%0.87459%0.585SS**  trans51.2117.9143.6-66.5-178.7166.700122.2
317C38.9Very low52.4Low110 Ų110117.8 Ų117.874%0.74359%0.59SS**  -159.8121.1121.8-120.70000110.9C319C317-C319 PolarHBondContact O-N 3.24Å
318P44.5Very low49.8Very low112 Ų112126.9 Ų126.973%0.72763%0.629SS**G310 helixtrans-72.9-4.5-175-15.129.5000115.8E320P318-E320 PolarHBondContact O-N 3.15Å
319C48.1Very low47.8Very low92 Ų92130 Ų13062%0.62263%0.63SS**G310 helixtrans-75.8-22.9-158.5-40.20000114.6C317 F321C317-C319 PolarHBondContact O-N 3.24Å; C319-F321 PolarHBondContact O-N 2.83Å
320E46.4Very low45.8Very low128 Ų128138 Ų13860%0.59866%0.664SS**G310 helixtrans-80.1-11.7-174.5-77.6-163.3122.800114.6K223 P318K223-E320 IonicContact NZ-OE1 3.85Å; K223-E320 PolarHBondContact NZ-OE1 3.27Å; P318-E320 PolarHBondContact O-N 3.15Å
321F46.2Very low44.3Very low114 Ų114140.4 Ų140.450%0.567%0.673SS.*G310 helixtrans-87.1-20.3-178.4-99.6-90.1000114.2K227 T228 C319 Q324 R325K227-F321 HydrophobicContact CD-CE2 4.09Å; T228-F321 HydrophobicContact CG2-CZ 4.32Å; C319-F321 PolarHBondContact O-N 2.83Å; F321-Q324 PolarHBondContact O-N 3.36Å; F321-R325 PolarHBondContact O-N 3.43Å
322E47.2Very low43.1Very low149 Ų149143 Ų14370%0.69669%0.688SS**Hα-helixtrans-70.5-35.5-178.8-76.4-164.2148.100113Q324 R325E322-Q324 VanDerWaalsContact C-N 3.27Å; E322-Q324 PolarHBondContact O-N 3.31Å; E322-R325 PolarHBondContact O-N 2.9Å
323E51.7Low42.2Very low166 Ų166141.9 Ų141.978%0.77668%0.678SS**Hα-helixtrans-65.4-29.5176.1-93.2-168.7148.400113.3
324Q50.5Low41.6Very low54 Ų54136.9 Ų136.925%0.25267%0.672SS.*Hα-helixtrans-82.7-28.8-178.7-67.1-103.7-23.500111.8F321 E322 N326 R327 W329F321-Q324 PolarHBondContact O-N 3.36Å; E322-Q324 VanDerWaalsContact C-N 3.27Å; E322-Q324 PolarHBondContact O-N 3.31Å; Q324-N326 VanDerWaalsContact C-N 3.3Å; Q324-N326 PolarHBondContact O-N 3.46Å; Q324-R327 PolarHBondContact O-N 3.36Å; Q324-W329 HydrophobicContact CB-CZ2 4.1Å; Q324-W329 WeakPolarHBondContact O-CZ2 3.4Å; Q324-W329 PolarHBondContact O-NE1 3.37Å
325R43.4Very low41.8Very low211 Ų211135.1 Ų135.180%0.79666%0.655SS**Hα-helixtrans-65.5-30.9-174.8-149-179.8-161.7-169.44.4113.4F321 E322F321-R325 PolarHBondContact O-N 3.43Å; E322-R325 PolarHBondContact O-N 2.9Å
326N46.7Very low41.7Very low148 Ų148129.9 Ų129.979%0.79164%0.639SS**THydrogen-bonded Turntrans-87.2-4.7-178-71-23.4000114.1Q324Q324-N326 VanDerWaalsContact C-N 3.3Å; Q324-N326 PolarHBondContact O-N 3.46Å
327R48.8Very low41.9Very low168 Ų168128.4 Ų128.463%0.63463%0.632SS**SBendtrans-81131.5173.6-70.1-173.6174.3-171.7-1109.3Q324 W329Q324-R327 PolarHBondContact O-N 3.36Å; R327-W329 HydrophobicContact CB-CZ2 4.24Å; R327-W329 PolarHBondContact O-N 2.94Å; R327-W329 VanDerWaalsContact O-N 3.11Å; R327-W329 PolarHBondContact O-NE1 2.82Å; R327-W329 VanDerWaalsContact O-NE1 3.12Å
328K36.9Very low41.7Very low216 Ų216131.3 Ų131.394%0.93964%0.635SS**  trans-65.8109.5170-79.3-176.7176.5179.20108.7
329W42.8Very low41.3Very low131 Ų131131.2 Ų131.250%0.49663%0.628SS.*  trans-87.2132.3172.9-57.594.9000109.2I275 Q324 R327I275-W329 HydrophobicContact CD1-CE3 4.37Å; I275-W329 HydrophobicContact CD1-CH2 4.16Å; I275-W329 HydrophobicContact CD1-CZ3 3.67Å; Q324-W329 HydrophobicContact CB-CZ2 4.1Å; Q324-W329 WeakPolarHBondContact O-CZ2 3.4Å; Q324-W329 PolarHBondContact O-NE1 3.37Å; R327-W329 HydrophobicContact CB-CZ2 4.24Å; R327-W329 PolarHBondContact O-N 2.94Å; R327-W329 VanDerWaalsContact O-N 3.11Å; R327-W329 PolarHBondContact O-NE1 2.82Å; R327-W329 VanDerWaalsContact O-NE1 3.12Å
330K34.5Very low41.1Very low177 Ų177136 Ų13677%0.7764%0.642SS**  trans-119.8115.2170.3-167.7176.8179.8-176.90108
331L36.8Very low40.9Very low147 Ų147137.1 Ų137.177%0.7765%0.652SS**  trans-75125.2174.5-157.187.4000108.4L333L331-L333 HydrophobicContact CD2-CD2 3.96Å; L331-L333 HydrophobicContact CD2-CG 4.17Å
332T36.6Very low40.6Very low88 Ų88135.6 Ų135.654%0.5465%0.649SS.*  trans-105.1107.1174.8-60.40000109H271H271-T332 PolarHBondContact NE2-OG1 2.78Å
333L37.2Very low40.4Very low72 Ų72135.4 Ų135.438%0.37766%0.658SS.*  trans-86.3126.2174.9-64.9165.6000108.7L331 L367 V374L331-L333 HydrophobicContact CD2-CD2 3.96Å; L331-L333 HydrophobicContact CD2-CG 4.17Å; L333-L367 HydrophobicContact CD1-CD2 3.73Å; L333-V374 HydrophobicContact CD2-CB 4.11Å; L333-V374 HydrophobicContact CD2-CG1 3.82Å; L333-V374 HydrophobicContact CD2-CG2 4.24Å
334T34.9Very low39.7Very low114 Ų114130.2 Ų130.270%0.69964%0.64SS**  trans-98.4115.7175.5-53.20000109.1
335L37.1Very low39.1Very low54 Ų54134.6 Ų134.628%0.28367%0.67SS.*  trans-76.2130.7172.8-84.3149.8000110.3L355 M376L335-L355 HydrophobicContact CD1-CB 4.42Å; L335-L355 HydrophobicContact CD1-CD1 3.45Å; L335-L355 VanDerWaalsContact CD1-CD1 3.45Å; L335-L355 HydrophobicContact CD1-CG 4.01Å; L335-M376 HydrophobicContact CD1-CE 3.37Å; L335-M376 HydrophobicContact CD2-CB 4.33Å; L335-M376 HydrophobicContact CD2-CE 3.44Å; L335-M376 VanDerWaalsContact CD2-CE 3.44Å; L335-M376 HydrophobicContact CG-CE 3.57Å
336V36.8Very low38.7Very low89 Ų89128.8 Ų128.854%0.53966%0.655SS.*  trans-118.6122.3173.2-172.40000107.3V350 L352V336-V350 HydrophobicContact CG1-CG1 3.73Å; V336-L352 HydrophobicContact CG1-CD2 4.39Å; V336-L352 HydrophobicContact CG2-CD2 4.17Å
337H33.1Very low38.3Very low156 Ų156129 Ų12972%0.72266%0.656SS**  trans-92.1112169.8-160.9-66.5000107.3D339H337-D339 PolarHBondContact O-N 3.2Å
338E35Very low37.7Very low172 Ų172129.5 Ų129.580%0.80467%0.665SS**  trans-72.6120166.3-107.9174.1177.600107.6Q340E338-Q340 PolarHBondContact O-N 3.34Å
339D37.5Very low37.6Very low110 Ų110126.7 Ų126.759%0.58865%0.65SS**  trans-77.3113.1168.2-158.6-8.2000107.1H337 N341 N342H337-D339 PolarHBondContact O-N 3.2Å; D339-N341 PolarHBondContact O-N 3.37Å; D339-N342 PolarHBondContact O-N 3.48Å; D339-N342 VanDerWaalsContact O-N 3.14Å
340Q43.1Very low37.3Very low193 Ų193123.3 Ų123.390%0.90264%0.643SS**THydrogen-bonded Turntrans-61.5-9.3-171.7-73.5-168.6-15.900114E338E338-Q340 PolarHBondContact O-N 3.34Å
341N42.4Very low37.2Very low151 Ų151121.7 Ų121.781%0.80764%0.641SS**THydrogen-bonded Turntrans-104.13.6-178.9-77.9-19.3000114.9D339D339-N341 PolarHBondContact O-N 3.37Å
342N40.1Very low37.2Very low82 Ų82119.3 Ų119.344%0.43963%0.629SS.*  trans-104.7100.9-177.8-150.1-1.8000111.4D339 S344D339-N342 PolarHBondContact O-N 3.48Å; D339-N342 VanDerWaalsContact O-N 3.14Å; N342-S344 PolarHBondContact O-N 3.31Å
343T41.6Very low37.3Very low144 Ų144121.2 Ų121.288%0.88363%0.63SS**  trans-82.69.8176.249.50000113.4T345T343-T345 PolarHBondContact O-N 2.93Å
344S37.5Very low37.7Very low57 Ų57121.7 Ų121.740%0.39964%0.639SS.*  trans-72.9126.9178.5-175.50000111.2N342 D346N342-S344 PolarHBondContact O-N 3.31Å; S344-D346 PolarHBondContact O-N 2.77Å; S344-D346 VanDerWaalsContact OG-CB 3.27Å; S344-D346 WeakPolarHBondContact OG-CB 3.37Å; S344-D346 PolarHBondContact OG-N 2.7Å; S344-D346 VanDerWaalsContact OG-N 3.16Å
345T38.2Very low38.6Very low147 Ų147119 Ų11990%0.90262%0.62SS**  trans-79.20.8169.642.80000112.6T343 L347T343-T345 PolarHBondContact O-N 2.93Å; T345-L347 PolarHBondContact O-N 2.91Å
346D35.1Very low39.2Very low88 Ų88120 Ų12047%0.47163%0.628SS.*  trans-83.3106.7-178.2-138.5-18.4000110.2S344 E348 Y349S344-D346 PolarHBondContact O-N 2.77Å; S344-D346 VanDerWaalsContact OG-CB 3.27Å; S344-D346 WeakPolarHBondContact OG-CB 3.37Å; S344-D346 PolarHBondContact OG-N 2.7Å; S344-D346 VanDerWaalsContact OG-N 3.16Å; D346-E348 PolarHBondContact O-N 3.27Å; D346-Y349 HydrophobicContact CB-CD2 4.49Å; D346-Y349 PolarHBondContact O-N 3.4Å
347L39.3Very low39.9Very low154 Ų154122.3 Ų122.381%0.80664%0.638SS**G310 helixtrans-57.4-15.7179-90147.4000113T345 Y349T345-L347 PolarHBondContact O-N 2.91Å; L347-Y349 VanDerWaalsContact C-N 3.28Å; L347-Y349 PolarHBondContact O-N 3.08Å
348E36.3Very low41.5Very low177 Ų177120.1 Ų120.183%0.82764%0.635SS**G310 helixtrans-72.6-14.5174.1-66.6-160.5154.900114.1D346D346-E348 PolarHBondContact O-N 3.27Å
349Y34Very low42.6Very low158 Ų158114.4 Ų114.462%0.6261%0.609SS**G310 helixtrans-99.84.8-179.7-89.4-85.6000115.3D346 L347 I351D346-Y349 HydrophobicContact CB-CD2 4.49Å; D346-Y349 PolarHBondContact O-N 3.4Å; L347-Y349 VanDerWaalsContact C-N 3.28Å; L347-Y349 PolarHBondContact O-N 3.08Å; Y349-I351 PolarHBondContact O-N 3.49Å; Y349-I351 VanDerWaalsContact O-N 3.14Å
350V35.5Very low44Very low60 Ų60112.4 Ų112.436%0.36460%0.597SS.*  trans-74.7103.6169.2-177.10000108.3V336 L352V336-V350 HydrophobicContact CG1-CG1 3.73Å; V350-L352 VanDerWaalsContact C-N 3.26Å; V350-L352 HydrophobicContact CG1-CD2 3.97Å; V350-L352 HydrophobicContact CG1-CG 4.17Å; V350-L352 PolarHBondContact O-N 3.39Å
351I32.5Very low44.6Very low142 Ų142109.6 Ų109.673%0.72858%0.584SS**  trans-67.791.4170.9-59.5177.7000107.7Y349 K353Y349-I351 PolarHBondContact O-N 3.49Å; Y349-I351 VanDerWaalsContact O-N 3.14Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.36Å
352L38Very low45.5Very low97 Ų97110.5 Ų110.551%0.50859%0.589SS.*  trans-70.988173.2-68.7168.6000109.3V336 V350 S354V336-L352 HydrophobicContact CG1-CD2 4.39Å; V336-L352 HydrophobicContact CG2-CD2 4.17Å; V350-L352 VanDerWaalsContact C-N 3.26Å; V350-L352 HydrophobicContact CG1-CD2 3.97Å; V350-L352 HydrophobicContact CG1-CG 4.17Å; V350-L352 PolarHBondContact O-N 3.39Å; L352-S354 PolarHBondContact O-N 3.31Å
353K38.4Very low46.9Very low128 Ų128112.2 Ų112.256%0.55759%0.589SS**  trans-80.1108.7167.5-167.7-179.5174.1-164.30108.8I351 L355 E359I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.36Å; K353-L355 PolarHBondContact O-N 3Å; K353-E359 VanDerWaalsContact CE-OE1 3.25Å; K353-E359 WeakPolarHBondContact CE-OE1 3.39Å; K353-E359 IonicContact NZ-OE1 2.79Å; K353-E359 PolarHBondContact NZ-OE1 2.82Å
354S46.5Very low47.7Very low83 Ų83110 Ų11058%0.5858%0.575SS**PPolyproline II helixtrans-64121.9164.6-173.90000108L352L352-S354 PolarHBondContact O-N 3.31Å
355L52Low49.1Very low57 Ų57109.5 Ų109.530%0.29857%0.566SS.*PPolyproline II helixtrans-69136.4166.2-61.3-174000108.8L335 K353 E359 I360L335-L355 HydrophobicContact CD1-CB 4.42Å; L335-L355 HydrophobicContact CD1-CD1 3.45Å; L335-L355 VanDerWaalsContact CD1-CD1 3.45Å; L335-L355 HydrophobicContact CD1-CG 4.01Å; K353-L355 PolarHBondContact O-N 3Å; L355-E359 WeakPolarHBondContact CA-OE2 3.27Å; L355-E359 HydrophobicContact CB-CB 4.23Å; L355-E359 HydrophobicContact CD2-CB 4.29Å; L355-I360 HydrophobicContact CB-CG2 3.82Å; L355-I360 HydrophobicContact CD1-CG2 3.91Å
356T49.8Very low49.8Very low74 Ų74107.6 Ų107.645%0.45455%0.547SS..PPolyproline II helixtrans-81.4161173.757.50000110.8V358 E359 I360T356-V358 PolarHBondContact O-N 2.99Å; T356-V358 VanDerWaalsContact O-N 3.08Å; T356-E359 PolarHBondContact N-OE2 2.63Å; T356-E359 PolarHBondContact O-N 3.42Å; T356-E359 WeakPolarHBondContact OG1-CG 3.34Å; T356-E359 PolarHBondContact OG1-N 3.14Å; T356-E359 PolarHBondContact OG1-OE2 2.84Å; T356-I360 PolarHBondContact O-N 3.34Å
357D52.7Low50.7Low138 Ų138107.8 Ų107.874%0.73855%0.548SS*.THydrogen-bonded Turntrans-54-30175.2-65.9-23000112.4I360 Q361D357-I360 WeakPolarHBondContact O-CG1 3.29Å; D357-Q361 PolarHBondContact O-N 3.39Å
358V65.6Low51.1Low110 Ų110102.7 Ų102.767%0.66752%0.523SS*.THydrogen-bonded Turntrans-72.4-36.8176.2-1790000111.9T356 Q361T356-V358 PolarHBondContact O-N 2.99Å; T356-V358 VanDerWaalsContact O-N 3.08Å; V358-Q361 PolarHBondContact O-N 3.16Å
359E59.6Low51.7Low52 Ų52100.7 Ų100.724%0.24352%0.517CS..THydrogen-bonded Turntrans-74.9-26.4-177.6-75.8167.7133.700112.8K353 L355 T356 R363K353-E359 VanDerWaalsContact CE-OE1 3.25Å; K353-E359 WeakPolarHBondContact CE-OE1 3.39Å; K353-E359 IonicContact NZ-OE1 2.79Å; K353-E359 PolarHBondContact NZ-OE1 2.82Å; L355-E359 WeakPolarHBondContact CA-OE2 3.27Å; L355-E359 HydrophobicContact CB-CB 4.23Å; L355-E359 HydrophobicContact CD2-CB 4.29Å; T356-E359 PolarHBondContact N-OE2 2.63Å; T356-E359 PolarHBondContact O-N 3.42Å; T356-E359 WeakPolarHBondContact OG1-CG 3.34Å; T356-E359 PolarHBondContact OG1-N 3.14Å; T356-E359 PolarHBondContact OG1-OE2 2.84Å; E359-R363 VanDerWaalsContact O-CD 3.29Å; E359-R363 WeakPolarHBondContact O-CD 3.25Å; E359-R363 PolarHBondContact O-NE 2.91Å
360I66.5Low52Low69 Ų6998.6 Ų98.635%0.35451%0.512SS..SBendtrans-91.4-9.6176.963.2175.4000113.3L355 T356 D357 N362 R363 F365L355-I360 HydrophobicContact CB-CG2 3.82Å; L355-I360 HydrophobicContact CD1-CG2 3.91Å; T356-I360 PolarHBondContact O-N 3.34Å; D357-I360 WeakPolarHBondContact O-CG1 3.29Å; I360-N362 PolarHBondContact O-N 2.83Å; I360-R363 PolarHBondContact O-N 2.8Å; I360-F365 HydrophobicContact CB-CE2 4.49Å
361Q54.3Low52.4Low134 Ų134103.8 Ų103.863%0.62654%0.538SS*.THydrogen-bonded Turntrans-64.4128.2-179.9-129.6175.9-2.700109.9D357 V358 R363D357-Q361 PolarHBondContact O-N 3.39Å; V358-Q361 PolarHBondContact O-N 3.16Å; Q361-R363 VanDerWaalsContact C-N 3.3Å; Q361-R363 PolarHBondContact O-N 3.5Å
362N63.2Low52.7Low169 Ų169105.7 Ų105.790%0.90454%0.536SS*.THydrogen-bonded Turntrans66.416.6-177.9-53.2-28.1000116.6I360I360-N362 PolarHBondContact O-N 2.83Å
363R67.6Low52.7Low119 Ų119108.3 Ų108.345%0.44954%0.543SS..  trans-99.3139.8169.9-64.7-177.3-173.5-1332.1110.4E359 I360 Q361 F365 E378E359-R363 VanDerWaalsContact O-CD 3.29Å; E359-R363 WeakPolarHBondContact O-CD 3.25Å; E359-R363 PolarHBondContact O-NE 2.91Å; I360-R363 PolarHBondContact O-N 2.8Å; Q361-R363 VanDerWaalsContact C-N 3.3Å; Q361-R363 PolarHBondContact O-N 3.5Å; R363-F365 HydrophobicContact CB-CD2 4.38Å; R363-F365 HydrophobicContact CB-CE2 3.6Å; R363-F365 HydrophobicContact CB-CZ 3.78Å; R363-E378 WeakPolarHBondContact CD-OE1 3.2Å; R363-E378 WeakPolarHBondContact CG-OE1 3.34Å; R363-E378 IonicContact CZ-OE1 3.02Å; R363-E378 IonicContact CZ-OE2 3.45Å; R363-E378 IonicContact NE-OE1 3.03Å; R363-E378 VanDerWaalsContact NH1-CD 3.29Å; R363-E378 IonicContact NH1-OE1 2.9Å; R363-E378 PolarHBondContact NH1-OE1 3.37Å; R363-E378 IonicContact NH1-OE2 2.72Å; R363-E378 PolarHBondContact NH1-OE2 3.44Å
364T59.8Low53.1Low96 Ų96105.8 Ų105.859%0.58954%0.538SS*.  trans-99.6139.2171.2-530000108.3E378 V379T364-E378 WeakPolarHBondContact O-CA 3.43Å; T364-V379 HydrophobicContact CG2-CB 4.4Å; T364-V379 PolarHBondContact O-N 3.41Å
365F66Low53Low48 Ų48105 Ų10521%0.21153%0.53CS..EExtended strand (participates in β ladder)trans-127.1131.5177.4-62.5-85.1000110.4I360 R363 M376 R377 E378I360-F365 HydrophobicContact CB-CE2 4.49Å; R363-F365 HydrophobicContact CB-CD2 4.38Å; R363-F365 HydrophobicContact CB-CE2 3.6Å; R363-F365 HydrophobicContact CB-CZ 3.78Å; F365-M376 HydrophobicContact CB-CE 4.11Å; F365-M376 HydrophobicContact CB-CG 3.46Å; F365-M376 VanDerWaalsContact CB-CG 3.46Å; F365-M376 HydrophobicContact CB-SD 3.68Å; F365-M376 HydrophobicContact CD1-CE 3.45Å; F365-M376 VanDerWaalsContact CD1-CE 3.45Å; F365-M376 HydrophobicContact CD1-CG 3.8Å; F365-M376 HydrophobicContact CD1-SD 4.12Å; F365-M376 HydrophobicContact CD2-CE 3.79Å; F365-M376 HydrophobicContact CD2-SD 4.29Å; F365-M376 HydrophobicContact CE1-CE 3.69Å; F365-M376 HydrophobicContact CE2-CE 4.01Å; F365-M376 HydrophobicContact CG-CE 3.5Å; F365-M376 HydrophobicContact CG-CG 3.83Å; F365-M376 HydrophobicContact CG-SD 3.78Å; F365-M376 HydrophobicContact CZ-CE 3.96Å; F365-R377 CarbonylContact C-O 3.56Å; F365-R377 VanDerWaalsContact CA-O 3.25Å; F365-R377 WeakPolarHBondContact CA-O 3.25Å; F365-E378 HydrophobicContact CD1-CB 4Å; F365-E378 HydrophobicContact CE1-CB 3.89Å; F365-E378 HydrophobicContact CE1-CG 4.26Å
366E52.9Low52.9Low106 Ų106104.6 Ų104.650%0.49553%0.527SS..EExtended strand (participates in β ladder)trans-82126.6165.7-176.9174.9-152.900108.2M376 R377 V379E366-M376 CarbonylContact O-C 3.47Å; E366-M376 WeakPolarHBondContact O-CA 3.25Å; E366-R377 PolarHBondContact N-O 2.91Å; E366-R377 PolarHBondContact O-N 3.14Å; E366-V379 HydrophobicContact CB-CG2 3.5Å; E366-V379 VanDerWaalsContact N-CG2 3.26Å
367L53.4Low53Low93 Ų93109.4 Ų109.449%0.48754%0.537SS..EExtended strand (participates in β ladder)trans-106.3113.4178.1-77150.6000108.6L333 V374 M376L333-L367 HydrophobicContact CD1-CD2 3.73Å; L367-V374 HydrophobicContact CD2-CG1 3.57Å; L367-M376 HydrophobicContact CD2-CB 4.11Å; L367-M376 HydrophobicContact CD2-CG 3.93Å; L367-M376 HydrophobicContact CD2-SD 3.91Å; L367-M376 HydrophobicContact CG-CG 4.25Å; L367-M376 HydrophobicContact CG-SD 4.38Å
368T47.8Very low53.6Low46 Ų46107.7 Ų107.728%0.28252%0.524SS..EExtended strand (participates in β ladder)trans-112122.5174.7-37.10000109.5H370 V375T368-H370 VanDerWaalsContact CG2-NE2 3.25Å; T368-H370 WeakPolarHBondContact CG2-NE2 3.46Å; T368-V375 PolarHBondContact N-O 2.88Å; T368-V375 PolarHBondContact O-N 2.89Å
369I49.7Very low53.8Low136 Ų136109 Ų10970%0.69753%0.532SS*.EExtended strand (participates in β ladder)trans-94.2119176.4-55177.5000107.9V374I369-V374 HydrophobicContact CG1-CG2 4.44Å
370H40.6Very low53.5Low113 Ų113111.8 Ų111.852%0.52355%0.546SS..EExtended strand (participates in β ladder)trans-122.7106176.5-70.3-63.5000110T368 R372 K373T368-H370 VanDerWaalsContact CG2-NE2 3.25Å; T368-H370 WeakPolarHBondContact CG2-NE2 3.46Å; H370-R372 PolarHBondContact O-N 2.99Å; H370-K373 PolarHBondContact N-O 2.76Å; H370-K373 PolarHBondContact O-N 2.79Å
371D44.6Very low52.9Low170 Ų170114.1 Ų114.191%0.90956%0.557SS**THydrogen-bonded Turntrans43.7-71180-75.7-12.4000115.6
372R37.1Very low52.8Low182 Ų182112.9 Ų112.969%0.68755%0.553SS**THydrogen-bonded Turntrans-124.99.5-176.4-61.1-174.6175.2-176.1-3.6114.4D278 H370D278-R372 IonicContact OD2-NE 2.9Å; H370-R372 PolarHBondContact O-N 2.99Å
373K39.7Very low52.2Low152 Ų152109.6 Ų109.666%0.66153%0.532SS*.EExtended strand (participates in β ladder)trans-135138.4-175.7-62.6-176.2-178.8-1780110.6H370H370-K373 PolarHBondContact N-O 2.76Å; H370-K373 PolarHBondContact O-N 2.79Å
374V45.2Very low51.2Low74 Ų74109.1 Ų109.145%0.44854%0.537SS..EExtended strand (participates in β ladder)trans-99.2112.2163.8-175.90000106.6L333 L367 I369L333-V374 HydrophobicContact CD2-CB 4.11Å; L333-V374 HydrophobicContact CD2-CG1 3.82Å; L333-V374 HydrophobicContact CD2-CG2 4.24Å; L367-V374 HydrophobicContact CD2-CG1 3.57Å; I369-V374 HydrophobicContact CG1-CG2 4.44Å
375V45.4Very low50.6Low66 Ų66109.9 Ų109.940%0.453%0.534SS..EExtended strand (participates in β ladder)trans-90.7124.4172.3-1790000106.9T368T368-V375 PolarHBondContact N-O 2.88Å; T368-V375 PolarHBondContact O-N 2.89Å
376M50.3Low49.5Very low49 Ų49114.4 Ų114.424%0.24156%0.557CS.*EExtended strand (participates in β ladder)trans-113.2120.3174.4-166166.690.300108.5L335 F365 E366 L367L335-M376 HydrophobicContact CD1-CE 3.37Å; L335-M376 HydrophobicContact CD2-CB 4.33Å; L335-M376 HydrophobicContact CD2-CE 3.44Å; L335-M376 VanDerWaalsContact CD2-CE 3.44Å; L335-M376 HydrophobicContact CG-CE 3.57Å; F365-M376 HydrophobicContact CB-CE 4.11Å; F365-M376 HydrophobicContact CB-CG 3.46Å; F365-M376 VanDerWaalsContact CB-CG 3.46Å; F365-M376 HydrophobicContact CB-SD 3.68Å; F365-M376 HydrophobicContact CD1-CE 3.45Å; F365-M376 VanDerWaalsContact CD1-CE 3.45Å; F365-M376 HydrophobicContact CD1-CG 3.8Å; F365-M376 HydrophobicContact CD1-SD 4.12Å; F365-M376 HydrophobicContact CD2-CE 3.79Å; F365-M376 HydrophobicContact CD2-SD 4.29Å; F365-M376 HydrophobicContact CE1-CE 3.69Å; F365-M376 HydrophobicContact CE2-CE 4.01Å; F365-M376 HydrophobicContact CG-CE 3.5Å; F365-M376 HydrophobicContact CG-CG 3.83Å; F365-M376 HydrophobicContact CG-SD 3.78Å; F365-M376 HydrophobicContact CZ-CE 3.96Å; E366-M376 CarbonylContact O-C 3.47Å; E366-M376 WeakPolarHBondContact O-CA 3.25Å; L367-M376 HydrophobicContact CD2-CB 4.11Å; L367-M376 HydrophobicContact CD2-CG 3.93Å; L367-M376 HydrophobicContact CD2-SD 3.91Å; L367-M376 HydrophobicContact CG-CG 4.25Å; L367-M376 HydrophobicContact CG-SD 4.38Å
377R52.1Low49.3Very low176 Ų176115 Ų11566%0.66456%0.562SS**EExtended strand (participates in β ladder)trans-116.8129179.4179.5176.8-91.1179.4-6.8108.7F365 E366F365-R377 CarbonylContact C-O 3.56Å; F365-R377 VanDerWaalsContact CA-O 3.25Å; F365-R377 WeakPolarHBondContact CA-O 3.25Å; E366-R377 PolarHBondContact N-O 2.91Å; E366-R377 PolarHBondContact O-N 3.14Å
378E65.1Low48.9Very low102 Ų102116.8 Ų116.848%0.47757%0.568SS.*EExtended strand (participates in β ladder)trans-65.7135.9172.3-172.8171.3-177.100109.6R363 T364 F365R363-E378 WeakPolarHBondContact CD-OE1 3.2Å; R363-E378 WeakPolarHBondContact CG-OE1 3.34Å; R363-E378 IonicContact CZ-OE1 3.02Å; R363-E378 IonicContact CZ-OE2 3.45Å; R363-E378 IonicContact NE-OE1 3.03Å; R363-E378 VanDerWaalsContact NH1-CD 3.29Å; R363-E378 IonicContact NH1-OE1 2.9Å; R363-E378 PolarHBondContact NH1-OE1 3.37Å; R363-E378 IonicContact NH1-OE2 2.72Å; R363-E378 PolarHBondContact NH1-OE2 3.44Å; T364-E378 WeakPolarHBondContact O-CA 3.43Å; F365-E378 HydrophobicContact CD1-CB 4Å; F365-E378 HydrophobicContact CE1-CB 3.89Å; F365-E378 HydrophobicContact CE1-CG 4.26Å
379V69.7Low49Very low136 Ų136123.3 Ų123.382%0.82459%0.594SS**  trans-114.80-175.6-165.40000110.9T364 E366T364-V379 HydrophobicContact CG2-CB 4.4Å; T364-V379 PolarHBondContact O-N 3.41Å; E366-V379 HydrophobicContact CB-CG2 3.5Å; E366-V379 VanDerWaalsContact N-CG2 3.26Å

Retrieved 379 of 379 residues in 804.7 ms (Link to these results)