A0A087Y0D0_POEFO Loading...

VPS10 domain-containing receptor SorCS2

AlphaFold DB , UniProt , Accession A0A087Y0D0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 955 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
1Q69.8Low74.6Confident171 Ų17180.9 Ų80.980%0.79945%0.453SS*.  01510-74.1170.7-14.300109.1E22Q1-E22 HydrophobicContact CB-CG 4.23Å
2V82.8Confident73.5Confident43 Ų4392.9 Ų92.926%0.26149%0.486SS..  trans-90135.2175.4179.50000110.1S19 T20 L63V2-S19 CarbonylContact C-O 3.52Å; V2-S19 WeakPolarHBondContact CA-O 3.08Å; V2-T20 HydrophobicContact CG2-CG2 4.47Å; V2-L63 HydrophobicContact CG1-CD1 3.74Å; V2-L63 HydrophobicContact CG1-CD2 3.84Å; V2-L63 HydrophobicContact CG1-CG 4.19Å; V2-L63 HydrophobicContact CG2-CD1 4.39Å; V2-L63 HydrophobicContact CG2-CD2 4.27Å
3V83.5Confident73.4Confident51 Ų5192.6 Ų92.631%0.30949%0.485SS..EExtended strand (participates in β ladder)trans-121.2128.2174.6-177.70000108.7V5 S19 F26V3-V5 HydrophobicContact CG1-CG2 4.3Å; V3-S19 PolarHBondContact N-O 3.34Å; V3-S19 PolarHBondContact O-N 2.71Å; V3-F26 HydrophobicContact CG1-CE1 4.12Å; V3-F26 HydrophobicContact CG1-CZ 4.26Å
4M85.4Confident74.1Confident40 Ų4087.4 Ų87.420%0.19746%0.457CS..EExtended strand (participates in β ladder)trans-125.9130.9176.5-169.3177-64.700110L16 F17 I18 F40 L48M4-L16 HydrophobicContact SD-CD1 4.29Å; M4-F17 CarbonylContact C-O 3.56Å; M4-F17 WeakPolarHBondContact CA-O 3.21Å; M4-I18 HydrophobicContact CE-CD1 4.48Å; M4-I18 HydrophobicContact CE-CG1 4.13Å; M4-I18 HydrophobicContact CG-CG1 4.38Å; M4-F40 HydrophobicContact CB-CZ 4.38Å; M4-F40 HydrophobicContact CE-CZ 4.19Å; M4-L48 HydrophobicContact CE-CD2 3.58Å
5V83.4Confident75Confident48 Ų4883.8 Ų83.829%0.29144%0.437SS..EExtended strand (participates in β ladder)trans-127.1126.3179.6-176.10000109V3 F17 F26V3-V5 HydrophobicContact CG1-CG2 4.3Å; V5-F17 HydrophobicContact CB-CB 4.36Å; V5-F17 PolarHBondContact N-O 2.93Å; V5-F17 PolarHBondContact O-N 3.1Å; V5-F26 HydrophobicContact CG2-CE1 4.14Å
6G80.9Confident75.9Confident39 Ų3978.8 Ų78.840%0.40241%0.411SS..EExtended strand (participates in β ladder)trans-85.7141.3171.300000111.3
7S76.1Confident76.7Confident42 Ų4278.1 Ų78.129%0.29441%0.405SS..EExtended strand (participates in β ladder)trans-138.1128.2172.8-176.90000110.3M15S7-M15 PolarHBondContact N-O 3.33Å; S7-M15 PolarHBondContact O-N 3.3Å
8S69.1Low77.5Confident84 Ų8474.3 Ų74.359%0.58739%0.385SS*.EExtended strand (participates in β ladder)trans-100.6107.9171.8610000109.4
9I64.9Low78.4Confident116 Ų11670.5 Ų70.560%0.59537%0.365SS*.SBendtrans-80.5-34.8177.7-59.9173.6000110D13 M15I9-D13 PolarHBondContact N-O 2.72Å; I9-M15 HydrophobicContact CD1-CG 3.86Å
10N65.1Low79.1Confident74 Ų7471.5 Ų71.540%0.39637%0.374SS..SBendtrans-160.6-179.6170.259.645.9000109.5R12 D13 Q14N10-R12 PolarHBondContact O-N 3.19Å; N10-R12 PolarHBondContact OD1-N 2.84Å; N10-D13 PolarHBondContact ND2-OD2 2.71Å; N10-D13 WeakPolarHBondContact OD1-CB 3.34Å; N10-D13 PolarHBondContact OD1-N 3.43Å; N10-D13 PolarHBondContact OD1-OD2 2.75Å; N10-Q14 PolarHBondContact O-NE2 2.75Å
11E59.7Low79.7Confident182 Ų18270.7 Ų70.785%0.8537%0.371SS*.SBendtrans-60.1-17.8-179-73.2-174168.500114.7
12R61.1Low80.7Confident225 Ų22569.3 Ų69.385%0.84936%0.364SS*.SBendtrans-110.1-25.6-175.1-65.2-175.2-178.6-178.20.3114.2N10N10-R12 PolarHBondContact O-N 3.19Å; N10-R12 PolarHBondContact OD1-N 2.84Å
13D72.1Confident81.2Confident89 Ų8968.6 Ų68.648%0.47637%0.365SS..  trans-109.893.6-175.5-61-39.4000109.7I9 N10I9-D13 PolarHBondContact N-O 2.72Å; N10-D13 PolarHBondContact ND2-OD2 2.71Å; N10-D13 WeakPolarHBondContact OD1-CB 3.34Å; N10-D13 PolarHBondContact OD1-N 3.43Å; N10-D13 PolarHBondContact OD1-OD2 2.75Å
14Q83.6Confident81.6Confident19 Ų1971.1 Ų71.19%0.08939%0.385CS..EExtended strand (participates in β ladder)trans-101.5133177.4-62-67.8-32.600109.4N10 V31 F33N10-Q14 PolarHBondContact O-NE2 2.75Å; Q14-V31 HydrophobicContact CB-CG2 3.61Å; Q14-V31 WeakPolarHBondContact O-CG2 3.39Å; Q14-V31 PolarHBondContact O-N 2.04Å; Q14-F33 WeakPolarHBondContact CB-O 3.05Å; Q14-F33 WeakPolarHBondContact CG-O 3.17Å
15M87.6Confident81.9Confident34 Ų3472.2 Ų72.217%0.16740%0.397CS..EExtended strand (participates in β ladder)trans-127.9140.4-176.5-64.3-64.4-62.500110.8S7 I9 F17 R28 A30S7-M15 PolarHBondContact N-O 3.33Å; S7-M15 PolarHBondContact O-N 3.3Å; I9-M15 HydrophobicContact CD1-CG 3.86Å; M15-F17 HydrophobicContact CB-CE2 4.16Å; M15-R28 HydrophobicContact CE-CB 3.82Å; M15-R28 HydrophobicContact CE-CG 4.27Å; M15-A30 HydrophobicContact CE-CB 4.4Å; M15-A30 HydrophobicContact SD-CB 3.82Å
16L88.8Confident82.4Confident4 Ų474.6 Ų74.62%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-109.1137.1166.4-64.8178.4000109.3M4 Q29 V31 W67M4-L16 HydrophobicContact SD-CD1 4.29Å; L16-Q29 HydrophobicContact CB-CB 4.41Å; L16-Q29 PolarHBondContact N-O 3.09Å; L16-Q29 PolarHBondContact O-N 2.85Å; L16-V31 HydrophobicContact CD1-CG1 3.6Å; L16-V31 HydrophobicContact CG-CG1 3.88Å; L16-V31 HydrophobicContact CG-CG2 4.29Å; L16-W67 HydrophobicContact CD1-CZ2 3.6Å
17F90.2Very high82.9Confident67 Ų6777.7 Ų77.729%0.29441%0.408SS..EExtended strand (participates in β ladder)trans-110.8122.1171.5-67.4-90.8000108.6M4 V5 M15 F26 Q27 R28M4-F17 CarbonylContact C-O 3.56Å; M4-F17 WeakPolarHBondContact CA-O 3.21Å; V5-F17 HydrophobicContact CB-CB 4.36Å; V5-F17 PolarHBondContact N-O 2.93Å; V5-F17 PolarHBondContact O-N 3.1Å; M15-F17 HydrophobicContact CB-CE2 4.16Å; F17-F26 HydrophobicContact CB-CB 4.27Å; F17-F26 HydrophobicContact CB-CD1 3.78Å; F17-F26 HydrophobicContact CB-CG 4.35Å; F17-F26 HydrophobicContact CD1-CB 4.21Å; F17-Q27 WeakPolarHBondContact CA-O 3.46Å; F17-R28 HydrophobicContact CD1-CB 4.19Å; F17-R28 HydrophobicContact CE1-CB 3.95Å
18I91.8Very high83.6Confident9 Ų985.3 Ų85.35%0.04643%0.43CS..EExtended strand (participates in β ladder)trans-119.5129.4-173-52162.3000108.6M4 Q27 Q29 L63M4-I18 HydrophobicContact CE-CD1 4.48Å; M4-I18 HydrophobicContact CE-CG1 4.13Å; M4-I18 HydrophobicContact CG-CG1 4.38Å; I18-Q27 PolarHBondContact N-O 2.87Å; I18-Q27 PolarHBondContact O-N 3.03Å; I18-Q29 HydrophobicContact CD1-CB 4.1Å; I18-L63 WeakPolarHBondContact CD1-O 3.31Å; I18-L63 HydrophobicContact CG2-CD2 3.7Å; I18-L63 HydrophobicContact CG2-CG 4.02Å
19S92.9Very high84.6Confident2 Ų284 Ų841%0.01441%0.414CS..EExtended strand (participates in β ladder)trans-126.5134173164.60000109.6V2 V3 D21 G23 S25V2-S19 CarbonylContact C-O 3.52Å; V2-S19 WeakPolarHBondContact CA-O 3.08Å; V3-S19 PolarHBondContact N-O 3.34Å; V3-S19 PolarHBondContact O-N 2.71Å; S19-D21 PolarHBondContact OG-N 2.72Å; S19-D21 PolarHBondContact OG-OD1 2.77Å; S19-G23 VanDerWaalsContact OG-CA 3.26Å; S19-G23 WeakPolarHBondContact OG-CA 3.02Å; S19-G23 PolarHBondContact OG-N 2.99Å; S19-S25 WeakPolarHBondContact CA-O 3.26Å; S19-S25 WeakPolarHBondContact CB-O 3.14Å; S19-S25 PolarHBondContact OG-O 3.38Å
20T93.1Very high85.7Confident90 Ų9081.5 Ų81.555%0.55241%0.411SS*.SBendtrans-108.48.2173.657.60000111.8V2 L63V2-T20 HydrophobicContact CG2-CG2 4.47Å; T20-L63 HydrophobicContact CG2-CD2 3.67Å
21D92.6Very high86.8Confident55 Ų5578.7 Ų78.729%0.29440%0.396SS..SBendtrans-128.237.8-173.163.3-4.2000111.4S19 G23 S24 S25S19-D21 PolarHBondContact OG-N 2.72Å; S19-D21 PolarHBondContact OG-OD1 2.77Å; D21-G23 VanDerWaalsContact C-N 3.27Å; D21-G23 PolarHBondContact O-N 2.79Å; D21-S24 VanDerWaalsContact O-CB 3.32Å; D21-S24 WeakPolarHBondContact O-CB 3.4Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 VanDerWaalsContact O-N 3.12Å; D21-S24 PolarHBondContact O-OG 3.4Å; D21-S24 PolarHBondContact OD1-N 3.13Å; D21-S24 WeakPolarHBondContact OD2-CB 3.02Å; D21-S25 PolarHBondContact OD1-N 3.18Å; D21-S25 WeakPolarHBondContact OD2-CB 3.47Å; D21-S25 PolarHBondContact OD2-N 3.25Å; D21-S25 VanDerWaalsContact OD2-N 3.11Å; D21-S25 PolarHBondContact OD2-OG 3.16Å
22E90.5Very high88.1Confident143 Ų14374.8 Ų74.867%0.66840%0.396SS*.THydrogen-bonded Turntrans60.234.4174.1-59.3175.1-159.200113.5Q1Q1-E22 HydrophobicContact CB-CG 4.23Å
23G92Very high89.3Confident27 Ų2764.9 Ų64.928%0.27836%0.359SS..THydrogen-bonded Turntrans84.37.5-18000000114.6S19 D21 F26S19-G23 VanDerWaalsContact OG-CA 3.26Å; S19-G23 WeakPolarHBondContact OG-CA 3.02Å; S19-G23 PolarHBondContact OG-N 2.99Å; D21-G23 VanDerWaalsContact C-N 3.27Å; D21-G23 PolarHBondContact O-N 2.79Å; G23-F26 WeakPolarHBondContact O-CE2 3.45Å
24S92.3Very high90.1Very high104 Ų10462.7 Ų62.773%0.72735%0.349SS*.SBendtrans-68.8-36.6179.4-55.70000112.2D21D21-S24 VanDerWaalsContact O-CB 3.32Å; D21-S24 WeakPolarHBondContact O-CB 3.4Å; D21-S24 PolarHBondContact O-N 3Å; D21-S24 VanDerWaalsContact O-N 3.12Å; D21-S24 PolarHBondContact O-OG 3.4Å; D21-S24 PolarHBondContact OD1-N 3.13Å; D21-S24 WeakPolarHBondContact OD2-CB 3.02Å
25S93.3Very high90.1Very high63 Ų6363.2 Ų63.244%0.44135%0.354SS..SBendtrans-139.5132.8173.4690000111.9S19 D21S19-S25 WeakPolarHBondContact CA-O 3.26Å; S19-S25 WeakPolarHBondContact CB-O 3.14Å; S19-S25 PolarHBondContact OG-O 3.38Å; D21-S25 PolarHBondContact OD1-N 3.18Å; D21-S25 WeakPolarHBondContact OD2-CB 3.47Å; D21-S25 PolarHBondContact OD2-N 3.25Å; D21-S25 VanDerWaalsContact OD2-N 3.11Å; D21-S25 PolarHBondContact OD2-OG 3.16Å
26F92.9Very high90.2Very high98 Ų9864.6 Ų64.643%0.4336%0.362SS..  trans-106.8122.4178.9-74.3-83.5000111.3V3 V5 F17 G23V3-F26 HydrophobicContact CG1-CE1 4.12Å; V3-F26 HydrophobicContact CG1-CZ 4.26Å; V5-F26 HydrophobicContact CG2-CE1 4.14Å; F17-F26 HydrophobicContact CB-CB 4.27Å; F17-F26 HydrophobicContact CB-CD1 3.78Å; F17-F26 HydrophobicContact CB-CG 4.35Å; F17-F26 HydrophobicContact CD1-CB 4.21Å; G23-F26 WeakPolarHBondContact O-CE2 3.45Å
27Q91.8Very high90.2Very high105 Ų10566.7 Ų66.749%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-89.4124.4169.2-61.8-1733.500109.2F17 I18F17-Q27 WeakPolarHBondContact CA-O 3.46Å; I18-Q27 PolarHBondContact N-O 2.87Å; I18-Q27 PolarHBondContact O-N 3.03Å
28R90.2Very high90.2Very high201 Ų20166 Ų6676%0.75838%0.376SS*.EExtended strand (participates in β ladder)trans-80.6133.9175.969.7-174.9-178.6-179.5-0.2110.4M15 F17M15-R28 HydrophobicContact CE-CB 3.82Å; M15-R28 HydrophobicContact CE-CG 4.27Å; F17-R28 HydrophobicContact CD1-CB 4.19Å; F17-R28 HydrophobicContact CE1-CB 3.95Å
29Q89.6Confident90.2Very high57 Ų5768 Ų6827%0.26639%0.386SS..EExtended strand (participates in β ladder)trans-131.7120.9177.8179.95858.300109L16 I18 G64 R65L16-Q29 HydrophobicContact CB-CB 4.41Å; L16-Q29 PolarHBondContact N-O 3.09Å; L16-Q29 PolarHBondContact O-N 2.85Å; I18-Q29 HydrophobicContact CD1-CB 4.1Å; Q29-G64 WeakPolarHBondContact CG-O 3.47Å; Q29-R65 PolarHBondContact NE2-O 3.37Å
30A88.5Confident90.2Very high64 Ų6472 Ų7253%0.52940%0.403SS..EExtended strand (participates in β ladder)trans-76.6140.4174.500000110M15M15-A30 HydrophobicContact CE-CB 4.4Å; M15-A30 HydrophobicContact SD-CB 3.82Å
31V88.7Confident90.2Very high14 Ų1468.4 Ų68.49%0.08538%0.381CS..EExtended strand (participates in β ladder)trans-125.9145.7175.1-66.60000110.9Q14 L16 F33Q14-V31 HydrophobicContact CB-CG2 3.61Å; Q14-V31 WeakPolarHBondContact O-CG2 3.39Å; Q14-V31 PolarHBondContact O-N 2.04Å; L16-V31 HydrophobicContact CD1-CG1 3.6Å; L16-V31 HydrophobicContact CG-CG1 3.88Å; L16-V31 HydrophobicContact CG-CG2 4.29Å; V31-F33 VanDerWaalsContact C-N 3.34Å; V31-F33 HydrophobicContact CB-CD1 4.27Å; V31-F33 HydrophobicContact CB-CE1 3.95Å; V31-F33 HydrophobicContact CB-CZ 4.25Å; V31-F33 HydrophobicContact CG1-CE1 4.2Å; V31-F33 HydrophobicContact CG1-CZ 4.28Å
32A86.6Confident90.1Very high101 Ų10170.4 Ų70.484%0.83540%0.396SS*.SBendtrans-95.918.4-175.400000113.2
33F87.4Confident90.1Very high17 Ų1770.7 Ų70.78%0.07540%0.395CS..SBendtrans-146.5161.6-178.361.5-90.9000109.7Q14 V31 P35 A50 C52 V58 W67Q14-F33 WeakPolarHBondContact CB-O 3.05Å; Q14-F33 WeakPolarHBondContact CG-O 3.17Å; V31-F33 VanDerWaalsContact C-N 3.34Å; V31-F33 HydrophobicContact CB-CD1 4.27Å; V31-F33 HydrophobicContact CB-CE1 3.95Å; V31-F33 HydrophobicContact CB-CZ 4.25Å; V31-F33 HydrophobicContact CG1-CE1 4.2Å; V31-F33 HydrophobicContact CG1-CZ 4.28Å; F33-P35 HydrophobicContact CD2-CB 4.47Å; F33-P35 HydrophobicContact CE2-CB 4.09Å; F33-P35 VanDerWaalsContact O-CD 3.27Å; F33-P35 WeakPolarHBondContact O-CD 3.07Å; F33-A50 HydrophobicContact CE2-CB 3.92Å; F33-A50 HydrophobicContact CZ-CB 4.32Å; F33-C52 WeakPolarHBondContact CD2-SG 3.38Å; F33-V58 HydrophobicContact CD1-CG2 4.39Å; F33-V58 HydrophobicContact CD2-CG2 4.3Å; F33-V58 HydrophobicContact CE1-CG2 3.91Å; F33-V58 HydrophobicContact CE2-CG2 3.79Å; F33-V58 HydrophobicContact CZ-CG2 3.59Å; F33-W67 HydrophobicContact CE1-CB 3.95Å; F33-W67 AromaticContact CE1-CD1 3.87Å; F33-W67 AromaticContact CE1-CD2 3.72Å; F33-W67 HydrophobicContact CE1-CD2 3.72Å; F33-W67 HydrophobicContact CE1-CE3 4.26Å; F33-W67 AromaticContact CE1-CG 3.56Å; F33-W67 HydrophobicContact CE1-CG 3.56Å; F33-W67 AromaticContact CZ-CD2 3.55Å; F33-W67 HydrophobicContact CZ-CD2 3.55Å; F33-W67 AromaticContact CZ-CE2 3.64Å; F33-W67 AromaticContact CZ-CE3 3.86Å; F33-W67 HydrophobicContact CZ-CE3 3.86Å; F33-W67 AromaticContact CZ-CG 3.93Å; F33-W67 HydrophobicContact CZ-CG 3.93Å; F33-W67 HydrophobicContact CZ-CH2 4.15Å; F33-W67 AromaticContact CZ-CZ2 3.97Å; F33-W67 HydrophobicContact CZ-CZ2 3.97Å; F33-W67 HydrophobicContact CZ-CZ3 4.14Å
34T87Confident90Very high43 Ų4373.9 Ų73.926%0.26440%0.403SS..  trans-99.7101.7178.1-530000109.4C52 K53T34-C52 WeakPolarHBondContact O-CA 3.34Å; T34-K53 HydrophobicContact CG2-CD 3.92Å; T34-K53 HydrophobicContact CG2-CG 4.25Å; T34-K53 PolarHBondContact O-N 3.11Å; T34-K53 VanDerWaalsContact O-N 3.1Å
35P85.6Confident89.9Confident29 Ų2975.3 Ų75.319%0.18840%0.398CS..EExtended strand (participates in β ladder)trans-65.6140.1176.827.5-32.8000110.3F33F33-P35 HydrophobicContact CD2-CB 4.47Å; F33-P35 HydrophobicContact CE2-CB 4.09Å; F33-P35 VanDerWaalsContact O-CD 3.27Å; F33-P35 WeakPolarHBondContact O-CD 3.07Å
36D87.9Confident89.8Confident63 Ų6376.1 Ų76.134%0.33740%0.398SS..EExtended strand (participates in β ladder)trans-103-51.4167.9-162.938.1000109.3Y51 K53 K76D36-Y51 HydrophobicContact CB-CD1 3.96Å; D36-Y51 HydrophobicContact CB-CE1 4.45Å; D36-Y51 PolarHBondContact N-O 3.31Å; D36-K53 HydrophobicContact CB-CG 3.83Å; D36-K76 WeakPolarHBondContact OD2-CE 3.48Å; D36-K76 IonicContact OD2-NZ 2.62Å; D36-K76 PolarHBondContact OD2-NZ 2.83Å
37T88.6Confident89.9Confident49 Ų4973.1 Ų73.130%0.30139%0.385SS..EExtended strand (participates in β ladder)trans-134.9141.3179.8-49.60000110.8I39 A50 Y51T37-I39 HydrophobicContact CG2-CG1 4.35Å; T37-A50 WeakPolarHBondContact O-CA 3.36Å; T37-Y51 PolarHBondContact N-O 3.07Å; T37-Y51 PolarHBondContact O-N 2.82Å
38V90.5Very high90Very high53 Ų5368.1 Ų68.132%0.32136%0.361SS..EExtended strand (participates in β ladder)trans-115.8133.1174179.50000109.7F40 L48 L49 A50V38-F40 HydrophobicContact CG1-CE2 4.21Å; V38-L48 HydrophobicContact CG1-CB 4.4Å; V38-L48 HydrophobicContact CG1-CD1 4.08Å; V38-L49 CarbonylContact C-O 3.43Å; V38-L49 WeakPolarHBondContact CA-O 3.25Å; V38-A50 HydrophobicContact CG2-CB 4.21Å
39I92.5Very high90.2Very high51 Ų5158.6 Ų58.626%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-125109.4-175.2-48.5173.3000109.1T37 L48 L49 I79 W81T37-I39 HydrophobicContact CG2-CG1 4.35Å; I39-L48 WeakPolarHBondContact O-CA 3.24Å; I39-L49 HydrophobicContact CB-CB 4.43Å; I39-L49 PolarHBondContact N-O 3.03Å; I39-L49 PolarHBondContact O-N 2.86Å; I39-I79 HydrophobicContact CD1-CB 4.17Å; I39-I79 HydrophobicContact CD1-CG2 4.2Å; I39-W81 PolarHBondContact O-NE1 3.38Å
40F92.9Very high90.3Very high84 Ų8455.9 Ų55.937%0.36831%0.312SS..EExtended strand (participates in β ladder)trans-72.8147.6175.3-77.2-94.1000111.6M4 V38 L48 L63 W81M4-F40 HydrophobicContact CB-CZ 4.38Å; M4-F40 HydrophobicContact CE-CZ 4.19Å; V38-F40 HydrophobicContact CG1-CE2 4.21Å; F40-L48 HydrophobicContact CD1-CB 4.21Å; F40-L48 HydrophobicContact CD1-CD2 4.31Å; F40-L48 HydrophobicContact CE1-CB 4.45Å; F40-L48 HydrophobicContact CE1-CD2 3.78Å; F40-L48 HydrophobicContact CG-CB 4.46Å; F40-L48 HydrophobicContact CZ-CD2 4.18Å; F40-L63 HydrophobicContact CE1-CD1 4.09Å; F40-W81 PolarHBondContact O-NE1 2.59Å
41H93.3Very high90.6Very high16 Ų1654 Ų547%0.07429%0.292CS..  trans-64.4136.7169.5-177.6-91.3000109.5K43 E44 K47 W81 P90H41-K43 PolarHBondContact ND1-N 3.37Å; H41-K43 PolarHBondContact O-N 3.26Å; H41-E44 HydrophobicContact CB-CB 4.16Å; H41-E44 VanDerWaalsContact ND1-CB 3.34Å; H41-E44 WeakPolarHBondContact ND1-CB 3.45Å; H41-E44 WeakPolarHBondContact ND1-CG 3.44Å; H41-E44 PolarHBondContact ND1-N 3.4Å; H41-K47 HydrophobicContact CB-CB 3.72Å; H41-K47 WeakPolarHBondContact CB-O 3.49Å; H41-K47 PolarHBondContact N-O 2.8Å; H41-W81 HydrophobicContact CB-CD2 4.35Å; H41-W81 HydrophobicContact CB-CH2 4.26Å; H41-W81 HydrophobicContact CB-CZ2 3.89Å; H41-W81 AromaticContact CD2-CD2 3.82Å; H41-W81 AromaticContact CD2-CE3 3.55Å; H41-W81 AromaticContact CD2-CZ3 3.79Å; H41-P90 PolarHBondContact NE2-O 2.83Å; H41-P90 VanDerWaalsContact NE2-O 3.17Å
42P90.7Very high90.7Very high96 Ų9653.3 Ų53.362%0.62329%0.288SS*.SBendtrans-59.1-21.6-172.8-27.534.9000115.9W81P42-W81 HydrophobicContact CG-CB 4.19Å
43K89.4Confident90.8Very high150 Ų15055.3 Ų55.365%0.65228%0.277SS*.SBendtrans-128.1-19-176.5-67.8-173.7172.9-176.30115.7H41 S84H41-K43 PolarHBondContact ND1-N 3.37Å; H41-K43 PolarHBondContact O-N 3.26Å; K43-S84 PolarHBondContact NZ-OG 2.92Å
44E91.3Very high90.9Very high94 Ų9459 Ų5944%0.43930%0.298SS..  trans-114.3109.4-169.1-67.1-81.2-164.200107.2H41 D46 K47H41-E44 HydrophobicContact CB-CB 4.16Å; H41-E44 VanDerWaalsContact ND1-CB 3.34Å; H41-E44 WeakPolarHBondContact ND1-CB 3.45Å; H41-E44 WeakPolarHBondContact ND1-CG 3.44Å; H41-E44 PolarHBondContact ND1-N 3.4Å; E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 2.92Å; E44-K47 HydrophobicContact CB-CB 4.17Å; E44-K47 HydrophobicContact CB-CD 3.85Å; E44-K47 HydrophobicContact CB-CG 4.1Å; E44-K47 HydrophobicContact CG-CD 4.16Å; E44-K47 PolarHBondContact O-N 2.92Å
45E89.9Confident91.1Very high133 Ų13357.4 Ų57.462%0.62129%0.29SS*.THydrogen-bonded Turntrans-68.1-27.7-168.658.8-173.5176.400113.9L63E45-L63 WeakPolarHBondContact O-CD1 3.4Å
46D91.4Very high91.5Very high81 Ų8159.4 Ų59.443%0.43329%0.294SS..THydrogen-bonded Turntrans-84.2-11.5-178.7-69.9-30.6000113.8E44 T61 D62 L63E44-D46 VanDerWaalsContact C-N 3.3Å; E44-D46 PolarHBondContact O-N 2.92Å; D46-T61 CarbonylContact O-C 3.59Å; D46-T61 VanDerWaalsContact O-C 3.32Å; D46-D62 PolarHBondContact O-N 2.73Å; D46-L63 WeakPolarHBondContact O-CA 3.42Å; D46-L63 PolarHBondContact O-N 2.84Å
47K93.6Very high91.7Very high35 Ų3556.4 Ų56.415%0.15228%0.278CS..  trans-100.3127.2-174.9-66.4179.8-177.4169.90110.8H41 E44 S60 T61 W81 D91 I111H41-K47 HydrophobicContact CB-CB 3.72Å; H41-K47 WeakPolarHBondContact CB-O 3.49Å; H41-K47 PolarHBondContact N-O 2.8Å; E44-K47 HydrophobicContact CB-CB 4.17Å; E44-K47 HydrophobicContact CB-CD 3.85Å; E44-K47 HydrophobicContact CB-CG 4.1Å; E44-K47 HydrophobicContact CG-CD 4.16Å; E44-K47 PolarHBondContact O-N 2.92Å; K47-S60 WeakPolarHBondContact CA-O 3.38Å; K47-T61 HydrophobicContact CG-CG2 4.36Å; K47-W81 HydrophobicContact CB-CH2 4.34Å; K47-D91 WeakPolarHBondContact CD-OD1 3.14Å; K47-D91 WeakPolarHBondContact CE-OD1 3.37Å; K47-D91 VanDerWaalsContact NZ-CG 3.31Å; K47-D91 IonicContact NZ-OD1 3.63Å; K47-D91 PolarHBondContact NZ-OD1 2.98Å; K47-D91 IonicContact NZ-OD2 3.57Å; K47-D91 PolarHBondContact NZ-OD2 3.16Å; K47-D91 VanDerWaalsContact NZ-OD2 3.16Å; K47-I111 HydrophobicContact CD-CD1 4.08Å
48L93.6Very high92Very high0 Ų054.4 Ų54.40%027%0.265CS..EExtended strand (participates in β ladder)trans-153.8150.5-17957.199.1000112.2M4 V38 I39 F40 S60 L63 W67M4-L48 HydrophobicContact CE-CD2 3.58Å; V38-L48 HydrophobicContact CG1-CB 4.4Å; V38-L48 HydrophobicContact CG1-CD1 4.08Å; I39-L48 WeakPolarHBondContact O-CA 3.24Å; F40-L48 HydrophobicContact CD1-CB 4.21Å; F40-L48 HydrophobicContact CD1-CD2 4.31Å; F40-L48 HydrophobicContact CE1-CB 4.45Å; F40-L48 HydrophobicContact CE1-CD2 3.78Å; F40-L48 HydrophobicContact CG-CB 4.46Å; F40-L48 HydrophobicContact CZ-CD2 4.18Å; L48-S60 PolarHBondContact N-O 3.27Å; L48-S60 PolarHBondContact O-N 2.87Å; L48-L63 HydrophobicContact CD2-CD1 4.09Å; L48-W67 HydrophobicContact CD1-CH2 3.03Å; L48-W67 HydrophobicContact CD1-CZ2 3.69Å; L48-W67 HydrophobicContact CD1-CZ3 3.61Å; L48-W67 HydrophobicContact CG-CH2 4.49Å
49L94.4Very high92.2Very high0 Ų052 Ų520%025%0.251CS..EExtended strand (participates in β ladder)trans-106.8149.2172.9-52.2174.5000109.1V38 I39 L57 V58 A59 L70 I79 W81 V93 I111V38-L49 CarbonylContact C-O 3.43Å; V38-L49 WeakPolarHBondContact CA-O 3.25Å; I39-L49 HydrophobicContact CB-CB 4.43Å; I39-L49 PolarHBondContact N-O 3.03Å; I39-L49 PolarHBondContact O-N 2.86Å; L49-L57 HydrophobicContact CB-CD1 4.03Å; L49-V58 CarbonylContact C-O 3.55Å; L49-V58 WeakPolarHBondContact CA-O 3.15Å; L49-A59 HydrophobicContact CD2-CB 3.64Å; L49-L70 HydrophobicContact CD2-CD1 3.9Å; L49-I79 HydrophobicContact CD1-CG2 3.76Å; L49-W81 HydrophobicContact CD1-CD2 4.12Å; L49-W81 HydrophobicContact CD1-CH2 4.42Å; L49-W81 HydrophobicContact CD1-CZ2 3.93Å; L49-W81 HydrophobicContact CD2-CH2 3.8Å; L49-W81 HydrophobicContact CD2-CZ2 3.79Å; L49-W81 HydrophobicContact CD2-CZ3 4.48Å; L49-W81 HydrophobicContact CG-CD2 4.5Å; L49-W81 HydrophobicContact CG-CH2 3.94Å; L49-W81 HydrophobicContact CG-CZ2 3.39Å; L49-V93 HydrophobicContact CD1-CG1 3.67Å; L49-V93 HydrophobicContact CD1-CG2 3.99Å; L49-V93 HydrophobicContact CD2-CG2 4.16Å; L49-I111 HydrophobicContact CD2-CG2 4.26Å
50A93.3Very high92.2Very high0 Ų049.7 Ų49.70%024%0.239CC..EExtended strand (participates in β ladder)trans-128.1126.5165.700000110.5F33 T37 V38 V58 W67F33-A50 HydrophobicContact CE2-CB 3.92Å; F33-A50 HydrophobicContact CZ-CB 4.32Å; T37-A50 WeakPolarHBondContact O-CA 3.36Å; V38-A50 HydrophobicContact CG2-CB 4.21Å; A50-V58 HydrophobicContact CB-CG2 3.8Å; A50-V58 PolarHBondContact N-O 2.75Å; A50-V58 WeakPolarHBondContact O-CG2 3.2Å; A50-V58 PolarHBondContact O-N 2.9Å; A50-W67 HydrophobicContact CB-CE3 4.47Å; A50-W67 HydrophobicContact CB-CH2 3.54Å; A50-W67 HydrophobicContact CB-CZ3 3.48Å; A50-W67 VanDerWaalsContact CB-CZ3 3.48Å
51Y93.8Very high92.3Very high24 Ų2449.4 Ų49.49%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-85.5129.4168.4179.1-104000108.8D36 T37 V74 K76 I79D36-Y51 HydrophobicContact CB-CD1 3.96Å; D36-Y51 HydrophobicContact CB-CE1 4.45Å; D36-Y51 PolarHBondContact N-O 3.31Å; T37-Y51 PolarHBondContact N-O 3.07Å; T37-Y51 PolarHBondContact O-N 2.82Å; Y51-V74 HydrophobicContact CE2-CB 4.4Å; Y51-V74 WeakPolarHBondContact CE2-O 3.18Å; Y51-K76 HydrophobicContact CD1-CG 4.22Å; Y51-K76 HydrophobicContact CE1-CB 3.77Å; Y51-K76 HydrophobicContact CE1-CD 4.14Å; Y51-K76 HydrophobicContact CE1-CG 3.73Å; Y51-I79 HydrophobicContact CD2-CD1 3.77Å; Y51-I79 HydrophobicContact CG-CD1 4.21Å
52C92Very high92.2Very high0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-97.7149-177.6-56.10000110.4F33 T34 D54 G55 R56F33-C52 WeakPolarHBondContact CD2-SG 3.38Å; T34-C52 WeakPolarHBondContact O-CA 3.34Å; C52-D54 WeakPolarHBondContact CB-OD1 3.47Å; C52-D54 PolarHBondContact O-N 2.9Å; C52-G55 PolarHBondContact O-N 3.11Å; C52-R56 HydrophobicContact CB-CB 4.07Å; C52-R56 WeakPolarHBondContact CB-O 3.49Å; C52-R56 PolarHBondContact N-O 2.68Å; C52-R56 PolarHBondContact SG-O 2.62Å
53K87.8Confident92.3Very high143 Ų14346.5 Ų46.562%0.62222%0.224SC*.THydrogen-bonded Turntrans-58.7-20.5178.9-70.6-168.8177.7-175.60114.6T34 D36 G55T34-K53 HydrophobicContact CG2-CD 3.92Å; T34-K53 HydrophobicContact CG2-CG 4.25Å; T34-K53 PolarHBondContact O-N 3.11Å; T34-K53 VanDerWaalsContact O-N 3.1Å; D36-K53 HydrophobicContact CB-CG 3.83Å; K53-G55 VanDerWaalsContact C-N 3.33Å
54D89.5Confident92.3Very high96 Ų9639.4 Ų39.451%0.51319%0.193SC..THydrogen-bonded Turntrans-89.47.9176.960.95.5000113.7C52 R56C52-D54 WeakPolarHBondContact CB-OD1 3.47Å; C52-D54 PolarHBondContact O-N 2.9Å; D54-R56 VanDerWaalsContact CG-NE 3.33Å; D54-R56 WeakPolarHBondContact OD1-CB 3.16Å; D54-R56 PolarHBondContact OD1-N 2.68Å; D54-R56 IonicContact OD1-NE 2.81Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD1-NH2 3.47Å; D54-R56 IonicContact OD2-CZ 3.64Å; D54-R56 IonicContact OD2-NE 2.68Å; D54-R56 PolarHBondContact OD2-NE 3.44Å; D54-R56 IonicContact OD2-NH2 3.57Å; D54-R56 PolarHBondContact OD2-NH2 2.95Å
55G90.8Very high92.3Very high8 Ų840.9 Ų40.98%0.08220%0.195CC..SBendtrans83.813.217800000114.6C52 K53 R73 V74C52-G55 PolarHBondContact O-N 3.11Å; K53-G55 VanDerWaalsContact C-N 3.33Å; G55-R73 WeakPolarHBondContact O-CA 3.19Å; G55-R73 PolarHBondContact O-N 2.83Å; G55-V74 PolarHBondContact O-N 2.99Å
56R93.5Very high92.3Very high71 Ų7141.9 Ų41.927%0.26820%0.197SC..  trans-88.7143.8174-65.1-175.1-67.9157.3-2.4112C52 D54 L69 E72C52-R56 HydrophobicContact CB-CB 4.07Å; C52-R56 WeakPolarHBondContact CB-O 3.49Å; C52-R56 PolarHBondContact N-O 2.68Å; C52-R56 PolarHBondContact SG-O 2.62Å; D54-R56 VanDerWaalsContact CG-NE 3.33Å; D54-R56 WeakPolarHBondContact OD1-CB 3.16Å; D54-R56 PolarHBondContact OD1-N 2.68Å; D54-R56 IonicContact OD1-NE 2.81Å; D54-R56 PolarHBondContact OD1-NE 3.15Å; D54-R56 IonicContact OD1-NH2 3.47Å; D54-R56 IonicContact OD2-CZ 3.64Å; D54-R56 IonicContact OD2-NE 2.68Å; D54-R56 PolarHBondContact OD2-NE 3.44Å; D54-R56 IonicContact OD2-NH2 3.57Å; D54-R56 PolarHBondContact OD2-NH2 2.95Å; R56-L69 HydrophobicContact CB-CD1 4.1Å; R56-L69 HydrophobicContact CG-CD1 4.34Å; R56-E72 HydrophobicContact CG-CB 4.42Å; R56-E72 HydrophobicContact CG-CG 4.14Å
57L94.2Very high92.3Very high1 Ų140.4 Ų40.41%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-109.3122.1170.1-17661.8000109.5L49 L70 Q71 V74 I79 V93 M95L49-L57 HydrophobicContact CB-CD1 4.03Å; L57-L70 HydrophobicContact CD2-CD1 4.22Å; L57-L70 HydrophobicContact CG-CD1 4.29Å; L57-L70 WeakPolarHBondContact O-CB 2.78Å; L57-L70 PolarHBondContact O-N 2.76Å; L57-Q71 PolarHBondContact N-O 2.91Å; L57-Q71 PolarHBondContact O-N 2.97Å; L57-V74 HydrophobicContact CB-CB 4.35Å; L57-V74 HydrophobicContact CB-CG2 3.79Å; L57-I79 HydrophobicContact CD1-CD1 3.81Å; L57-I79 HydrophobicContact CD1-CG2 4.29Å; L57-I79 HydrophobicContact CD2-CD1 4.39Å; L57-I79 HydrophobicContact CD2-CG1 4.31Å; L57-I79 HydrophobicContact CD2-CG2 3.94Å; L57-V93 HydrophobicContact CD2-CG1 4.34Å; L57-M95 HydrophobicContact CD2-CE 3.77Å; L57-M95 HydrophobicContact CD2-SD 4Å
58V93.4Very high92.3Very high6 Ų642.5 Ų42.54%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-117.3151.2175.8-61.90000109.8F33 L49 A50 W67 T68 L69F33-V58 HydrophobicContact CD1-CG2 4.39Å; F33-V58 HydrophobicContact CD2-CG2 4.3Å; F33-V58 HydrophobicContact CE1-CG2 3.91Å; F33-V58 HydrophobicContact CE2-CG2 3.79Å; F33-V58 HydrophobicContact CZ-CG2 3.59Å; L49-V58 CarbonylContact C-O 3.55Å; L49-V58 WeakPolarHBondContact CA-O 3.15Å; A50-V58 HydrophobicContact CB-CG2 3.8Å; A50-V58 PolarHBondContact N-O 2.75Å; A50-V58 WeakPolarHBondContact O-CG2 3.2Å; A50-V58 PolarHBondContact O-N 2.9Å; V58-W67 HydrophobicContact CB-CE3 3.99Å; V58-W67 HydrophobicContact CG2-CD2 4.27Å; V58-W67 HydrophobicContact CG2-CE3 3.44Å; V58-W67 VanDerWaalsContact CG2-CE3 3.44Å; V58-W67 HydrophobicContact CG2-CZ3 3.75Å; V58-T68 CarbonylContact C-O 3.54Å; V58-T68 VanDerWaalsContact CA-O 3.32Å; V58-T68 WeakPolarHBondContact CA-O 3.3Å; V58-L69 HydrophobicContact CG1-CD1 4.11Å
59A94.4Very high92.2Very high2 Ų246.6 Ų46.62%0.01722%0.223CC..EExtended strand (participates in β ladder)trans-122.9152.8177.400000111.4L49 W67 T68 L70 I111L49-A59 HydrophobicContact CD2-CB 3.64Å; A59-W67 WeakPolarHBondContact O-CA 3.27Å; A59-T68 PolarHBondContact N-O 3Å; A59-T68 PolarHBondContact O-N 3.12Å; A59-T68 PolarHBondContact O-OG1 2.82Å; A59-L70 HydrophobicContact CB-CD1 3.7Å; A59-L70 HydrophobicContact CB-CD2 3.94Å; A59-L70 HydrophobicContact CB-CG 3.75Å; A59-I111 HydrophobicContact CB-CB 4.33Å; A59-I111 HydrophobicContact CB-CG2 4.38Å
60S93.4Very high92Very high3 Ų346.9 Ų46.92%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-133.6142.3170.1-177.70000109.7K47 L48 D62 G64 K66K47-S60 WeakPolarHBondContact CA-O 3.38Å; L48-S60 PolarHBondContact N-O 3.27Å; L48-S60 PolarHBondContact O-N 2.87Å; S60-D62 PolarHBondContact OG-N 2.95Å; S60-D62 PolarHBondContact OG-OD1 2.81Å; S60-G64 VanDerWaalsContact OG-CA 3.23Å; S60-G64 WeakPolarHBondContact OG-CA 3.37Å; S60-G64 PolarHBondContact OG-N 2.76Å; S60-K66 WeakPolarHBondContact CB-O 3.44Å; S60-K66 PolarHBondContact OG-O 3.17Å
61T93.9Very high91.9Very high79 Ų7947.4 Ų47.449%0.48523%0.227SC..SBendtrans-117.26.2176.150.80000112.1D46 K47 I111D46-T61 CarbonylContact O-C 3.59Å; D46-T61 VanDerWaalsContact O-C 3.32Å; K47-T61 HydrophobicContact CG-CG2 4.36Å; T61-I111 HydrophobicContact CG2-CD1 3.56Å; T61-I111 HydrophobicContact CG2-CG1 4.2Å
62D93Very high91.7Very high46 Ų4651.2 Ų51.225%0.24625%0.245CC..SBendtrans-131.339.2-178.366.2-6.8000111.2D46 S60 G64 R65 K66D46-D62 PolarHBondContact O-N 2.73Å; S60-D62 PolarHBondContact OG-N 2.95Å; S60-D62 PolarHBondContact OG-OD1 2.81Å; D62-G64 PolarHBondContact O-N 3.13Å; D62-R65 WeakPolarHBondContact O-CB 3.39Å; D62-R65 WeakPolarHBondContact O-CD 3.2Å; D62-R65 VanDerWaalsContact O-CG 3.23Å; D62-R65 WeakPolarHBondContact O-CG 3.48Å; D62-R65 PolarHBondContact O-N 3.48Å; D62-R65 PolarHBondContact OD1-N 2.87Å; D62-K66 PolarHBondContact OD1-N 3.38Å; D62-K66 WeakPolarHBondContact OD2-CB 3.43Å; D62-K66 WeakPolarHBondContact OD2-CD 3.43Å; D62-K66 VanDerWaalsContact OD2-CG 3.3Å; D62-K66 WeakPolarHBondContact OD2-CG 3.21Å; D62-K66 PolarHBondContact OD2-N 2.67Å
63L91.9Very high91.7Very high5 Ų556.6 Ų56.63%0.02627%0.266CS..THydrogen-bonded Turntrans61.238.1175.7-161.766.4000114V2 I18 T20 F40 E45 D46 L48V2-L63 HydrophobicContact CG1-CD1 3.74Å; V2-L63 HydrophobicContact CG1-CD2 3.84Å; V2-L63 HydrophobicContact CG1-CG 4.19Å; V2-L63 HydrophobicContact CG2-CD1 4.39Å; V2-L63 HydrophobicContact CG2-CD2 4.27Å; I18-L63 WeakPolarHBondContact CD1-O 3.31Å; I18-L63 HydrophobicContact CG2-CD2 3.7Å; I18-L63 HydrophobicContact CG2-CG 4.02Å; T20-L63 HydrophobicContact CG2-CD2 3.67Å; F40-L63 HydrophobicContact CE1-CD1 4.09Å; E45-L63 WeakPolarHBondContact O-CD1 3.4Å; D46-L63 WeakPolarHBondContact O-CA 3.42Å; D46-L63 PolarHBondContact O-N 2.84Å; L48-L63 HydrophobicContact CD2-CD1 4.09Å
64G90.2Very high92Very high0 Ų050.1 Ų50.10%024%0.238CC..THydrogen-bonded Turntrans80.611.7176.700000114.4Q29 S60 D62 W67Q29-G64 WeakPolarHBondContact CG-O 3.47Å; S60-G64 VanDerWaalsContact OG-CA 3.23Å; S60-G64 WeakPolarHBondContact OG-CA 3.37Å; S60-G64 PolarHBondContact OG-N 2.76Å; D62-G64 PolarHBondContact O-N 3.13Å; G64-W67 PolarHBondContact O-NE1 2.82Å
65R89.7Confident92.2Very high125 Ų12546 Ų4647%0.47222%0.217SC..SBendtrans-75.3-40.8176.2-65.8173.8-175.8-145.3-0.8111.7Q29 D62Q29-R65 PolarHBondContact NE2-O 3.37Å; D62-R65 WeakPolarHBondContact O-CB 3.39Å; D62-R65 WeakPolarHBondContact O-CD 3.2Å; D62-R65 VanDerWaalsContact O-CG 3.23Å; D62-R65 WeakPolarHBondContact O-CG 3.48Å; D62-R65 PolarHBondContact O-N 3.48Å; D62-R65 PolarHBondContact OD1-N 2.87Å
66K91.2Very high92.2Very high155 Ų15549.8 Ų49.867%0.67423%0.231SC*.SBendtrans-124.3145.2173-64.7176.6-175.1173.10109.6S60 D62S60-K66 WeakPolarHBondContact CB-O 3.44Å; S60-K66 PolarHBondContact OG-O 3.17Å; D62-K66 PolarHBondContact OD1-N 3.38Å; D62-K66 WeakPolarHBondContact OD2-CB 3.43Å; D62-K66 WeakPolarHBondContact OD2-CD 3.43Å; D62-K66 VanDerWaalsContact OD2-CG 3.3Å; D62-K66 WeakPolarHBondContact OD2-CG 3.21Å; D62-K66 PolarHBondContact OD2-N 2.67Å
67W91.7Very high92Very high50 Ų5051.4 Ų51.419%0.18925%0.245CC..  trans-125.9137.5-177.3-66.291.2000110.2L16 F33 L48 A50 V58 A59 G64L16-W67 HydrophobicContact CD1-CZ2 3.6Å; F33-W67 HydrophobicContact CE1-CB 3.95Å; F33-W67 AromaticContact CE1-CD1 3.87Å; F33-W67 AromaticContact CE1-CD2 3.72Å; F33-W67 HydrophobicContact CE1-CD2 3.72Å; F33-W67 HydrophobicContact CE1-CE3 4.26Å; F33-W67 AromaticContact CE1-CG 3.56Å; F33-W67 HydrophobicContact CE1-CG 3.56Å; F33-W67 AromaticContact CZ-CD2 3.55Å; F33-W67 HydrophobicContact CZ-CD2 3.55Å; F33-W67 AromaticContact CZ-CE2 3.64Å; F33-W67 AromaticContact CZ-CE3 3.86Å; F33-W67 HydrophobicContact CZ-CE3 3.86Å; F33-W67 AromaticContact CZ-CG 3.93Å; F33-W67 HydrophobicContact CZ-CG 3.93Å; F33-W67 HydrophobicContact CZ-CH2 4.15Å; F33-W67 AromaticContact CZ-CZ2 3.97Å; F33-W67 HydrophobicContact CZ-CZ2 3.97Å; F33-W67 HydrophobicContact CZ-CZ3 4.14Å; L48-W67 HydrophobicContact CD1-CH2 3.03Å; L48-W67 HydrophobicContact CD1-CZ2 3.69Å; L48-W67 HydrophobicContact CD1-CZ3 3.61Å; L48-W67 HydrophobicContact CG-CH2 4.49Å; A50-W67 HydrophobicContact CB-CE3 4.47Å; A50-W67 HydrophobicContact CB-CH2 3.54Å; A50-W67 HydrophobicContact CB-CZ3 3.48Å; A50-W67 VanDerWaalsContact CB-CZ3 3.48Å; V58-W67 HydrophobicContact CB-CE3 3.99Å; V58-W67 HydrophobicContact CG2-CD2 4.27Å; V58-W67 HydrophobicContact CG2-CE3 3.44Å; V58-W67 VanDerWaalsContact CG2-CE3 3.44Å; V58-W67 HydrophobicContact CG2-CZ3 3.75Å; A59-W67 WeakPolarHBondContact O-CA 3.27Å; G64-W67 PolarHBondContact O-NE1 2.82Å
68T91.8Very high92Very high78 Ų7854.4 Ų54.448%0.47926%0.256SS..EExtended strand (participates in β ladder)trans-120.9132.1174.950.30000109V58 A59 L70V58-T68 CarbonylContact C-O 3.54Å; V58-T68 VanDerWaalsContact CA-O 3.32Å; V58-T68 WeakPolarHBondContact CA-O 3.3Å; A59-T68 PolarHBondContact N-O 3Å; A59-T68 PolarHBondContact O-N 3.12Å; A59-T68 PolarHBondContact O-OG1 2.82Å; T68-L70 PolarHBondContact O-N 3.3Å
69L91.4Very high92.1Very high87 Ų8754.7 Ų54.746%0.45526%0.257SS..EExtended strand (participates in β ladder)trans-66.7129173.1-178.866.9000109.5R56 V58 E72R56-L69 HydrophobicContact CB-CD1 4.1Å; R56-L69 HydrophobicContact CG-CD1 4.34Å; V58-L69 HydrophobicContact CG1-CD1 4.11Å; L69-E72 HydrophobicContact CD1-CG 4.41Å; L69-E72 HydrophobicContact CD2-CG 4.22Å
70L90.8Very high92.1Very high6 Ų656.8 Ų56.83%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-95.2-59.2171.8-64.9-172.4000110.7L49 L57 A59 T68 I111 C114L49-L70 HydrophobicContact CD2-CD1 3.9Å; L57-L70 HydrophobicContact CD2-CD1 4.22Å; L57-L70 HydrophobicContact CG-CD1 4.29Å; L57-L70 WeakPolarHBondContact O-CB 2.78Å; L57-L70 PolarHBondContact O-N 2.76Å; A59-L70 HydrophobicContact CB-CD1 3.7Å; A59-L70 HydrophobicContact CB-CD2 3.94Å; A59-L70 HydrophobicContact CB-CG 3.75Å; T68-L70 PolarHBondContact O-N 3.3Å; L70-I111 HydrophobicContact CD1-CG2 4.48Å; L70-I111 WeakPolarHBondContact CD2-O 3.33Å; L70-C114 HydrophobicContact CB-CB 4.23Å; L70-C114 HydrophobicContact CD2-CB 3.72Å; L70-C114 PolarHBondContact O-SG 3.41Å
71Q90.7Very high92.2Very high11 Ų1157.5 Ų57.55%0.05127%0.268CS..EExtended strand (participates in β ladder)trans-150.6158.2-175.6-77.7-57.4-46.900112L57 V74 M95 L119L57-Q71 PolarHBondContact N-O 2.91Å; L57-Q71 PolarHBondContact O-N 2.97Å; Q71-V74 HydrophobicContact CB-CG2 3.8Å; Q71-M95 HydrophobicContact CB-SD 3.87Å; Q71-M95 HydrophobicContact CG-SD 3.72Å; Q71-L119 HydrophobicContact CG-CD2 4.25Å
72E90.9Very high92.1Very high103 Ų10354.1 Ų54.148%0.48125%0.248SC..SBendtrans-111.6154.5173.5-54.1-172.7156.300109.7R56 L69R56-E72 HydrophobicContact CG-CB 4.42Å; R56-E72 HydrophobicContact CG-CG 4.14Å; L69-E72 HydrophobicContact CD1-CG 4.41Å; L69-E72 HydrophobicContact CD2-CG 4.22Å
73R91.9Very high92Very high114 Ų11453.8 Ų53.843%0.4325%0.247SC..SBendtrans62.339.6179.7-52.4172.6-74.3163.8-1.7113.3G55 M97 Q98 D99 S100G55-R73 WeakPolarHBondContact O-CA 3.19Å; G55-R73 PolarHBondContact O-N 2.83Å; R73-M97 CarbonylContact O-C 3.55Å; R73-M97 WeakPolarHBondContact O-CA 3.48Å; R73-Q98 HydrophobicContact CB-CB 4.16Å; R73-Q98 VanDerWaalsContact CZ-O 3.29Å; R73-Q98 PolarHBondContact NH1-O 3.17Å; R73-Q98 PolarHBondContact O-N 2.02Å; R73-D99 PolarHBondContact NH1-O 3.33Å; R73-D99 VanDerWaalsContact NH1-O 3.08Å; R73-S100 VanDerWaalsContact NH1-CA 3.35Å
74V93.8Very high91.8Very high6 Ų657.2 Ų57.24%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-78.1140.5173.41800000109.1Y51 G55 L57 Q71 I79 M95 E96Y51-V74 HydrophobicContact CE2-CB 4.4Å; Y51-V74 WeakPolarHBondContact CE2-O 3.18Å; G55-V74 PolarHBondContact O-N 2.99Å; L57-V74 HydrophobicContact CB-CB 4.35Å; L57-V74 HydrophobicContact CB-CG2 3.79Å; Q71-V74 HydrophobicContact CB-CG2 3.8Å; V74-I79 HydrophobicContact CG1-CD1 3.73Å; V74-I79 HydrophobicContact CG1-CG1 3.56Å; V74-M95 HydrophobicContact CG1-CB 4.25Å; V74-M95 HydrophobicContact CG2-SD 4.2Å; V74-E96 WeakPolarHBondContact CA-O 2.99Å
75T93.3Very high91.5Very high10 Ų1061 Ų616%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-74.2132.3175.4-59.10000110.2R78 E96 H129 N130T75-R78 HydrophobicContact CG2-CB 4.19Å; T75-R78 HydrophobicContact CG2-CG 3.7Å; T75-R78 PolarHBondContact O-N 3.34Å; T75-E96 VanDerWaalsContact CB-OE2 3.22Å; T75-E96 WeakPolarHBondContact CB-OE2 3.47Å; T75-E96 VanDerWaalsContact CG2-OE2 3.27Å; T75-E96 WeakPolarHBondContact CG2-OE2 3.45Å; T75-E96 PolarHBondContact N-O 2.98Å; T75-E96 PolarHBondContact OG1-OE2 2.92Å; T75-H129 VanDerWaalsContact CG2-CE1 3.46Å; T75-H129 WeakPolarHBondContact CG2-CE1 3.41Å; T75-N130 WeakPolarHBondContact CG2-OD1 3.16Å
76K90.4Very high91.5Very high88 Ų8856.5 Ų56.538%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-55.7139175.7-174.7174.2170.5158.10111.1D36 Y51 R78D36-K76 WeakPolarHBondContact OD2-CE 3.48Å; D36-K76 IonicContact OD2-NZ 2.62Å; D36-K76 PolarHBondContact OD2-NZ 2.83Å; Y51-K76 HydrophobicContact CD1-CG 4.22Å; Y51-K76 HydrophobicContact CE1-CB 3.77Å; Y51-K76 HydrophobicContact CE1-CD 4.14Å; Y51-K76 HydrophobicContact CE1-CG 3.73Å; K76-R78 PolarHBondContact O-N 3.36Å
77D89.6Confident91.3Very high104 Ų10450.1 Ų50.156%0.55627%0.271SS*.EExtended strand (participates in β ladder)trans59.612.2177.6-51.2-34.3000115.9
78R94.3Very high91Very high64 Ų6456.5 Ų56.524%0.24231%0.307CS..EExtended strand (participates in β ladder)trans-11345.3175.9-58.2-65.2169.4178-4.2111.6T75 K76 M95 E96 N130 L132T75-R78 HydrophobicContact CG2-CB 4.19Å; T75-R78 HydrophobicContact CG2-CG 3.7Å; T75-R78 PolarHBondContact O-N 3.34Å; K76-R78 PolarHBondContact O-N 3.36Å; R78-M95 WeakPolarHBondContact O-CA 3.45Å; R78-E96 HydrophobicContact CB-CB 3.74Å; R78-E96 HydrophobicContact CG-CB 4.47Å; R78-E96 PolarHBondContact O-N 3.46Å; R78-E96 VanDerWaalsContact O-N 3.13Å; R78-N130 PolarHBondContact NE-O 3.11Å; R78-N130 PolarHBondContact NH2-O 3.29Å; R78-N130 VanDerWaalsContact NH2-O 3.11Å; R78-L132 WeakPolarHBondContact CD-O 3.24Å; R78-L132 PolarHBondContact NH1-O 2.83Å
79I95.1Very high90.7Very high12 Ų1255.5 Ų55.56%0.06230%0.299CS..EExtended strand (participates in β ladder)trans-127.6122.9-177.9-58.4153.6000108.3I39 L49 Y51 L57 V74 V93 H94I39-I79 HydrophobicContact CD1-CB 4.17Å; I39-I79 HydrophobicContact CD1-CG2 4.2Å; L49-I79 HydrophobicContact CD1-CG2 3.76Å; Y51-I79 HydrophobicContact CD2-CD1 3.77Å; Y51-I79 HydrophobicContact CG-CD1 4.21Å; L57-I79 HydrophobicContact CD1-CD1 3.81Å; L57-I79 HydrophobicContact CD1-CG2 4.29Å; L57-I79 HydrophobicContact CD2-CD1 4.39Å; L57-I79 HydrophobicContact CD2-CG1 4.31Å; L57-I79 HydrophobicContact CD2-CG2 3.94Å; V74-I79 HydrophobicContact CG1-CD1 3.73Å; V74-I79 HydrophobicContact CG1-CG1 3.56Å; I79-V93 HydrophobicContact CG2-CG1 3.97Å; I79-H94 WeakPolarHBondContact CA-O 3.47Å
80F95.6Very high90.6Very high46 Ų4654.6 Ų54.620%0.20230%0.298CS..EExtended strand (participates in β ladder)trans-132.8135.3-176.3-51.7-90.3000110.6H94 L132 L133 V134F80-H94 HydrophobicContact CB-CB 4.24Å; F80-H94 PolarHBondContact N-O 2.9Å; F80-H94 PolarHBondContact O-N 3.22Å; F80-L132 HydrophobicContact CD2-CD2 4.32Å; F80-L132 HydrophobicContact CD2-CG 4.45Å; F80-L132 HydrophobicContact CE2-CD2 4.34Å; F80-L132 HydrophobicContact CE2-CG 4.15Å; F80-L133 HydrophobicContact CE1-CD1 4.48Å; F80-L133 HydrophobicContact CZ-CD1 4.34Å; F80-V134 HydrophobicContact CB-CB 3.83Å; F80-V134 HydrophobicContact CB-CG1 4.41Å; F80-V134 HydrophobicContact CB-CG2 4.1Å; F80-V134 HydrophobicContact CD1-CB 4.21Å; F80-V134 HydrophobicContact CD2-CB 3.96Å; F80-V134 HydrophobicContact CD2-CG2 3.73Å; F80-V134 HydrophobicContact CE2-CG2 4.41Å; F80-V134 HydrophobicContact CG-CB 3.73Å; F80-V134 HydrophobicContact CG-CG2 3.99Å
81W94.9Very high90.6Very high19 Ų1955.3 Ų55.37%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-70161.2166.8-75.6108.6000110.9I39 F40 H41 P42 K47 L49 V93 I111I39-W81 PolarHBondContact O-NE1 3.38Å; F40-W81 PolarHBondContact O-NE1 2.59Å; H41-W81 HydrophobicContact CB-CD2 4.35Å; H41-W81 HydrophobicContact CB-CH2 4.26Å; H41-W81 HydrophobicContact CB-CZ2 3.89Å; H41-W81 AromaticContact CD2-CD2 3.82Å; H41-W81 AromaticContact CD2-CE3 3.55Å; H41-W81 AromaticContact CD2-CZ3 3.79Å; P42-W81 HydrophobicContact CG-CB 4.19Å; K47-W81 HydrophobicContact CB-CH2 4.34Å; L49-W81 HydrophobicContact CD1-CD2 4.12Å; L49-W81 HydrophobicContact CD1-CH2 4.42Å; L49-W81 HydrophobicContact CD1-CZ2 3.93Å; L49-W81 HydrophobicContact CD2-CH2 3.8Å; L49-W81 HydrophobicContact CD2-CZ2 3.79Å; L49-W81 HydrophobicContact CD2-CZ3 4.48Å; L49-W81 HydrophobicContact CG-CD2 4.5Å; L49-W81 HydrophobicContact CG-CH2 3.94Å; L49-W81 HydrophobicContact CG-CZ2 3.39Å; W81-V93 HydrophobicContact CE3-CG2 3.89Å; W81-V93 HydrophobicContact CZ3-CG2 3.82Å; W81-I111 HydrophobicContact CH2-CG2 3.87Å; W81-I111 HydrophobicContact CZ3-CG2 3.69Å
82S92.4Very high90.6Very high8 Ų856.4 Ų56.46%0.05631%0.308CS..  trans-54.1147.8168.174.40000112.1D89 P90 L92S82-D89 VanDerWaalsContact CB-O 3.31Å; S82-D89 WeakPolarHBondContact CB-O 3.35Å; S82-P90 VanDerWaalsContact OG-C 3.23Å; S82-P90 VanDerWaalsContact OG-CA 3.24Å; S82-P90 WeakPolarHBondContact OG-CA 3.32Å; S82-P90 PolarHBondContact OG-O 3.32Å; S82-L92 PolarHBondContact N-O 2.64Å
83V91.4Very high90.7Very high38 Ų3851.5 Ų51.523%0.2329%0.285CS..  trans-97.5114.9175.1-177.90000108.9G85 V86 D87 V134 R157V83-G85 PolarHBondContact O-N 3.28Å; V83-V86 HydrophobicContact CB-CB 4.35Å; V83-V86 HydrophobicContact CG1-CB 4.38Å; V83-V86 HydrophobicContact CG1-CG2 4.02Å; V83-V86 PolarHBondContact O-N 3.23Å; V83-V86 VanDerWaalsContact O-N 3.13Å; V83-D87 PolarHBondContact N-OD2 3.12Å; V83-D87 PolarHBondContact O-N 2.82Å; V83-V134 HydrophobicContact CG2-CG1 4.4Å; V83-R157 VanDerWaalsContact CG2-NH2 3.29Å
84S86.5Confident90.7Very high77 Ų7746.2 Ų46.254%0.53827%0.265SS..BIsolated β-bridgetrans-56.6126.1-179.7173.20000112.2K43 V86K43-S84 PolarHBondContact NZ-OG 2.92Å; S84-V86 VanDerWaalsContact C-N 3.32Å
85G85.1Confident90.7Very high80 Ų8045.9 Ų45.983%0.82526%0.264SS*.THydrogen-bonded Turntrans90.4-7.4177.300000114.2V83V83-G85 PolarHBondContact O-N 3.28Å
86V88.6Confident90.8Very high31 Ų3145.4 Ų45.419%0.18826%0.261CS..THydrogen-bonded Turntrans-111-54.9173.4-1770000109.5V83 S84 D137 R156 R157V83-V86 HydrophobicContact CB-CB 4.35Å; V83-V86 HydrophobicContact CG1-CB 4.38Å; V83-V86 HydrophobicContact CG1-CG2 4.02Å; V83-V86 PolarHBondContact O-N 3.23Å; V83-V86 VanDerWaalsContact O-N 3.13Å; S84-V86 VanDerWaalsContact C-N 3.32Å; V86-D137 WeakPolarHBondContact CG2-OD1 3.46Å; V86-R156 HydrophobicContact CG1-CB 4.46Å; V86-R156 HydrophobicContact CG1-CG 4.45Å; V86-R157 HydrophobicContact CG1-CG 4.21Å
87D87.3Confident90.8Very high21 Ų2141.9 Ų41.911%0.11225%0.245CC..BIsolated β-bridgetrans-75.9140.1177.3-68.3-60.7000110.9V83 D89 H94 R157V83-D87 PolarHBondContact N-OD2 3.12Å; V83-D87 PolarHBondContact O-N 2.82Å; D87-D89 VanDerWaalsContact C-N 3.35Å; D87-H94 IonicContact OD1-CE1 3.79Å; D87-H94 IonicContact OD1-NE2 3Å; D87-H94 IonicContact OD2-NE2 2.78Å; D87-R157 WeakPolarHBondContact OD1-CD 3.3Å; D87-R157 VanDerWaalsContact OD1-CG 3.24Å; D87-R157 WeakPolarHBondContact OD1-CG 3.49Å; D87-R157 IonicContact OD1-CZ 3.99Å; D87-R157 IonicContact OD1-NE 3.52Å; D87-R157 PolarHBondContact OD1-NE 2.82Å; D87-R157 IonicContact OD1-NH2 2.91Å; D87-R157 IonicContact OD2-CZ 2.7Å; D87-R157 IonicContact OD2-NE 2.69Å; D87-R157 PolarHBondContact OD2-NE 3.28Å; D87-R157 IonicContact OD2-NH2 3.23Å; D87-R157 PolarHBondContact OD2-NH2 3.4Å
88L84.5Confident90.9Very high183 Ų18340.5 Ų40.596%0.95824%0.236SC*.SBendtrans-70.1-34-179.2-67.4174.1000112.3
89D86.8Confident90.4Very high58 Ų5838.7 Ų38.731%0.3123%0.231SC..  trans-117.3122-175.7-162.6-45.9000110.4S82 D87 D91 L92 L110S82-D89 VanDerWaalsContact CB-O 3.31Å; S82-D89 WeakPolarHBondContact CB-O 3.35Å; D87-D89 VanDerWaalsContact C-N 3.35Å; D89-D91 PolarHBondContact O-N 3.45Å; D89-D91 WeakPolarHBondContact OD1-CB 3.35Å; D89-D91 PolarHBondContact OD1-N 3.42Å; D89-L92 HydrophobicContact CB-CB 4.49Å; D89-L92 WeakPolarHBondContact O-CB 3.39Å; D89-L92 PolarHBondContact O-N 2.9Å; D89-L110 HydrophobicContact CB-CD2 3.91Å; D89-L110 WeakPolarHBondContact OD2-CD2 3.26Å
90P88.7Confident89.8Confident68 Ų6843.6 Ų43.644%0.44227%0.266SS..THydrogen-bonded Turntrans-66.4-25.3178.527.9-35000112.9H41 S82 L92H41-P90 PolarHBondContact NE2-O 2.83Å; H41-P90 VanDerWaalsContact NE2-O 3.17Å; S82-P90 VanDerWaalsContact OG-C 3.23Å; S82-P90 VanDerWaalsContact OG-CA 3.24Å; S82-P90 WeakPolarHBondContact OG-CA 3.32Å; S82-P90 PolarHBondContact OG-O 3.32Å; P90-L92 VanDerWaalsContact C-N 3.26Å; P90-L92 PolarHBondContact O-N 3.33Å
91D90.4Very high89Confident21 Ų2144.8 Ų44.811%0.11228%0.28CS..THydrogen-bonded Turntrans-88.59.1-176.9-73.2-19000113.3K47 D89 L110 I111K47-D91 WeakPolarHBondContact CD-OD1 3.14Å; K47-D91 WeakPolarHBondContact CE-OD1 3.37Å; K47-D91 VanDerWaalsContact NZ-CG 3.31Å; K47-D91 IonicContact NZ-OD1 3.63Å; K47-D91 PolarHBondContact NZ-OD1 2.98Å; K47-D91 IonicContact NZ-OD2 3.57Å; K47-D91 PolarHBondContact NZ-OD2 3.16Å; K47-D91 VanDerWaalsContact NZ-OD2 3.16Å; D89-D91 PolarHBondContact O-N 3.45Å; D89-D91 WeakPolarHBondContact OD1-CB 3.35Å; D89-D91 PolarHBondContact OD1-N 3.42Å; D91-L110 HydrophobicContact CB-CD2 4.46Å; D91-L110 WeakPolarHBondContact O-CA 3.49Å; D91-I111 HydrophobicContact CB-CD1 4.03Å; D91-I111 HydrophobicContact CB-CG1 4.06Å; D91-I111 PolarHBondContact O-N 3.41Å
92L90.8Very high88.5Confident33 Ų3345.7 Ų45.717%0.17330%0.296CS..EExtended strand (participates in β ladder)trans-73.4135.3175.3-164.871.4000111.2S82 D89 P90 L110S82-L92 PolarHBondContact N-O 2.64Å; D89-L92 HydrophobicContact CB-CB 4.49Å; D89-L92 WeakPolarHBondContact O-CB 3.39Å; D89-L92 PolarHBondContact O-N 2.9Å; P90-L92 VanDerWaalsContact C-N 3.26Å; P90-L92 PolarHBondContact O-N 3.33Å; L92-L110 HydrophobicContact CB-CD2 4.23Å; L92-L110 HydrophobicContact CD1-CD2 3.96Å
93V93.1Very high88.2Confident0 Ų045.9 Ų45.90%030%0.299CS..EExtended strand (participates in β ladder)trans-119.3126.1172.8-1740000108.8L49 L57 I79 W81 M95 T108 C109 I111L49-V93 HydrophobicContact CD1-CG1 3.67Å; L49-V93 HydrophobicContact CD1-CG2 3.99Å; L49-V93 HydrophobicContact CD2-CG2 4.16Å; L57-V93 HydrophobicContact CD2-CG1 4.34Å; I79-V93 HydrophobicContact CG2-CG1 3.97Å; W81-V93 HydrophobicContact CE3-CG2 3.89Å; W81-V93 HydrophobicContact CZ3-CG2 3.82Å; V93-M95 HydrophobicContact CB-CE 3.99Å; V93-M95 HydrophobicContact CG1-CE 3.72Å; V93-T108 VanDerWaalsContact O-CA 3.32Å; V93-T108 WeakPolarHBondContact O-CA 3.09Å; V93-C109 PolarHBondContact N-O 3.03Å; V93-C109 PolarHBondContact O-N 3.26Å; V93-C109 VanDerWaalsContact O-N 3.1Å; V93-I111 HydrophobicContact CG2-CG2 3.59Å
94H93.1Very high88.2Confident3 Ų345.4 Ų45.41%0.01429%0.294CS..EExtended strand (participates in β ladder)trans-93.4130.7172.3-54.9-78.5000109I79 F80 D87 Y106 T108 V134I79-H94 WeakPolarHBondContact CA-O 3.47Å; F80-H94 HydrophobicContact CB-CB 4.24Å; F80-H94 PolarHBondContact N-O 2.9Å; F80-H94 PolarHBondContact O-N 3.22Å; D87-H94 IonicContact OD1-CE1 3.79Å; D87-H94 IonicContact OD1-NE2 3Å; D87-H94 IonicContact OD2-NE2 2.78Å; H94-Y106 HydrophobicContact CB-CE2 3.93Å; H94-Y106 AromaticContact ND1-CZ 3.85Å; H94-Y106 PolarHBondContact ND1-OH 2.93Å; H94-T108 VanDerWaalsContact ND1-CG2 3.27Å; H94-T108 WeakPolarHBondContact ND1-CG2 3.49Å; H94-V134 HydrophobicContact CB-CG2 3.89Å
95M93.2Very high88.3Confident0 Ų043.7 Ų43.70%028%0.279CS..EExtended strand (participates in β ladder)trans-147.6147.4179.965.5-168.578.400112.8L57 Q71 V74 R78 V93 V107 C109 L132L57-M95 HydrophobicContact CD2-CE 3.77Å; L57-M95 HydrophobicContact CD2-SD 4Å; Q71-M95 HydrophobicContact CB-SD 3.87Å; Q71-M95 HydrophobicContact CG-SD 3.72Å; V74-M95 HydrophobicContact CG1-CB 4.25Å; V74-M95 HydrophobicContact CG2-SD 4.2Å; R78-M95 WeakPolarHBondContact O-CA 3.45Å; V93-M95 HydrophobicContact CB-CE 3.99Å; V93-M95 HydrophobicContact CG1-CE 3.72Å; M95-V107 HydrophobicContact CG-CG2 3.39Å; M95-V107 PolarHBondContact N-O 3.18Å; M95-V107 PolarHBondContact O-N 2.99Å; M95-V107 HydrophobicContact SD-CG2 4.12Å; M95-C109 VanDerWaalsContact CE-SG 3.5Å; M95-L132 VanDerWaalsContact C-CD2 3.49Å
96E94.5Very high88.5Confident0 Ų040.2 Ų40.20%024%0.241CC..EExtended strand (participates in β ladder)trans-91129.6165.1-176.5-176-76.400109V74 T75 R78 H104 L105 I127 H129 N130 S131 L132V74-E96 WeakPolarHBondContact CA-O 2.99Å; T75-E96 VanDerWaalsContact CB-OE2 3.22Å; T75-E96 WeakPolarHBondContact CB-OE2 3.47Å; T75-E96 VanDerWaalsContact CG2-OE2 3.27Å; T75-E96 WeakPolarHBondContact CG2-OE2 3.45Å; T75-E96 PolarHBondContact N-O 2.98Å; T75-E96 PolarHBondContact OG1-OE2 2.92Å; R78-E96 HydrophobicContact CB-CB 3.74Å; R78-E96 HydrophobicContact CG-CB 4.47Å; R78-E96 PolarHBondContact O-N 3.46Å; R78-E96 VanDerWaalsContact O-N 3.13Å; E96-H104 HydrophobicContact CG-CB 4.22Å; E96-H104 IonicContact OE2-ND1 3.36Å; E96-L105 WeakPolarHBondContact CA-O 3.41Å; E96-I127 HydrophobicContact CG-CD1 3.91Å; E96-H129 IonicContact OE2-ND1 2.81Å; E96-N130 PolarHBondContact OE1-N 3.4Å; E96-N130 PolarHBondContact OE2-N 2.84Å; E96-S131 PolarHBondContact OE1-N 3.08Å; E96-L132 HydrophobicContact CB-CB 4.09Å; E96-L132 HydrophobicContact CB-CD2 4.17Å; E96-L132 PolarHBondContact OE1-N 3.3Å
97M90.6Very high88.5Confident13 Ų1339 Ų396%0.06423%0.233CC..EExtended strand (participates in β ladder)trans-133.8153.4178.471.3174.4-59.500112.3R73 H104 L105 V107 L119R73-M97 CarbonylContact O-C 3.55Å; R73-M97 WeakPolarHBondContact O-CA 3.48Å; M97-H104 CarbonylContact O-C 3.55Å; M97-H104 WeakPolarHBondContact O-CA 3.34Å; M97-L105 HydrophobicContact CG-CB 4.44Å; M97-L105 PolarHBondContact N-O 3.4Å; M97-L105 PolarHBondContact O-N 3.37Å; M97-V107 HydrophobicContact CG-CG1 4.08Å; M97-V107 HydrophobicContact CG-CG2 3.87Å; M97-V107 HydrophobicContact SD-CB 4.32Å; M97-V107 HydrophobicContact SD-CG1 3.8Å; M97-V107 HydrophobicContact SD-CG2 3.63Å; M97-L119 HydrophobicContact SD-CD1 4.35Å; M97-L119 HydrophobicContact SD-CD2 4.48Å
98Q91.2Very high88.5Confident75 Ų7538.3 Ų38.335%0.3523%0.23SC..EExtended strand (participates in β ladder)trans-90.5126.6175.7-163.8178.537.100111.6R73 G102 G103R73-Q98 HydrophobicContact CB-CB 4.16Å; R73-Q98 VanDerWaalsContact CZ-O 3.29Å; R73-Q98 PolarHBondContact NH1-O 3.17Å; R73-Q98 PolarHBondContact O-N 2.02Å; Q98-G102 PolarHBondContact NE2-O 3.43Å; Q98-G103 CarbonylContact C-O 3.57Å; Q98-G103 WeakPolarHBondContact CA-O 3.39Å
99D84.8Confident88.5Confident26 Ų2629.9 Ų29.914%0.13919%0.186CC..  trans-74170.217682.511.4000112.4R73 S101 G102 G103 L105 R126R73-D99 PolarHBondContact NH1-O 3.33Å; R73-D99 VanDerWaalsContact NH1-O 3.08Å; D99-S101 VanDerWaalsContact CG-OG 3.23Å; D99-S101 PolarHBondContact O-N 3.39Å; D99-S101 VanDerWaalsContact O-N 3.14Å; D99-S101 VanDerWaalsContact OD1-CA 3.29Å; D99-S101 WeakPolarHBondContact OD1-CA 3.3Å; D99-S101 WeakPolarHBondContact OD1-CB 3.37Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.28Å; D99-S101 PolarHBondContact OD2-OG 3.02Å; D99-S101 VanDerWaalsContact OD2-OG 3.11Å; D99-G102 PolarHBondContact O-N 3.44Å; D99-G102 VanDerWaalsContact O-N 3.17Å; D99-G102 PolarHBondContact OD1-N 3.15Å; D99-G103 PolarHBondContact N-O 2.69Å; D99-G103 PolarHBondContact OD1-N 2.91Å; D99-L105 HydrophobicContact CB-CD1 3.81Å; D99-L105 HydrophobicContact CB-CG 4.3Å; D99-R126 IonicContact OD2-CZ 2.59Å; D99-R126 IonicContact OD2-NE 3.56Å; D99-R126 PolarHBondContact OD2-NE 3.28Å; D99-R126 IonicContact OD2-NH2 2.7Å; D99-R126 PolarHBondContact OD2-NH2 3.13Å
100S81.6Confident88.6Confident115 Ų11529.9 Ų29.980%0.80419%0.186SC*.THydrogen-bonded Turntrans-64.2-13.4179.954.90000114.9R73R73-S100 VanDerWaalsContact NH1-CA 3.35Å
101S80.4Confident88.5Confident71 Ų7126.9 Ų26.950%0.49717%0.166SC..THydrogen-bonded Turntrans-101.82.8178.571.20000113.3D99 R126D99-S101 VanDerWaalsContact CG-OG 3.23Å; D99-S101 PolarHBondContact O-N 3.39Å; D99-S101 VanDerWaalsContact O-N 3.14Å; D99-S101 VanDerWaalsContact OD1-CA 3.29Å; D99-S101 WeakPolarHBondContact OD1-CA 3.3Å; D99-S101 WeakPolarHBondContact OD1-CB 3.37Å; D99-S101 PolarHBondContact OD1-N 2.86Å; D99-S101 PolarHBondContact OD1-OG 3.28Å; D99-S101 PolarHBondContact OD2-OG 3.02Å; D99-S101 VanDerWaalsContact OD2-OG 3.11Å; S101-R126 PolarHBondContact OG-NH1 2.78Å; S101-R126 PolarHBondContact OG-NH2 3.43Å
102G83.5Confident88.1Confident39 Ų3932.8 Ų32.840%0.40219%0.193SC..SBendtrans89.10.8-179.900000115.1Q98 D99Q98-G102 PolarHBondContact NE2-O 3.43Å; D99-G102 PolarHBondContact O-N 3.44Å; D99-G102 VanDerWaalsContact O-N 3.17Å; D99-G102 PolarHBondContact OD1-N 3.15Å
103G85.7Confident87.3Confident11 Ų1136 Ų3611%0.11321%0.21CC..  trans-80156.2174.400000112.2Q98 D99Q98-G103 CarbonylContact C-O 3.57Å; Q98-G103 WeakPolarHBondContact CA-O 3.39Å; D99-G103 PolarHBondContact N-O 2.69Å; D99-G103 PolarHBondContact OD1-N 2.91Å
104H91.1Very high86.6Confident28 Ų2836.9 Ų36.913%0.1322%0.216CC..EExtended strand (participates in β ladder)trans-100.3144.6177.1-62.5-96.8000111.2E96 M97 R126 I127 H129E96-H104 HydrophobicContact CG-CB 4.22Å; E96-H104 IonicContact OE2-ND1 3.36Å; M97-H104 CarbonylContact O-C 3.55Å; M97-H104 WeakPolarHBondContact O-CA 3.34Å; H104-R126 WeakPolarHBondContact O-CA 3.31Å; H104-I127 HydrophobicContact CB-CG1 4.07Å; H104-I127 WeakPolarHBondContact CB-O 3.26Å; H104-I127 PolarHBondContact O-N 3.07Å; H104-H129 AromaticContact CE1-CG 3.89Å; H104-H129 AromaticContact CE1-ND1 3.2Å; H104-H129 PolarHBondContact CE1-ND1 3.36Å; H104-H129 AromaticContact ND1-ND1 3.68Å; H104-H129 AromaticContact NE2-CG 3.89Å; H104-H129 AromaticContact NE2-ND1 3.67Å
105L89.3Confident85.5Confident42 Ų4239.5 Ų39.522%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-131.7144.3-178.1-61.7174.1000110.2E96 M97 D99 V107 G125 R126E96-L105 WeakPolarHBondContact CA-O 3.41Å; M97-L105 HydrophobicContact CG-CB 4.44Å; M97-L105 PolarHBondContact N-O 3.4Å; M97-L105 PolarHBondContact O-N 3.37Å; D99-L105 HydrophobicContact CB-CD1 3.81Å; D99-L105 HydrophobicContact CB-CG 4.3Å; L105-V107 HydrophobicContact CB-CG1 4.27Å; L105-G125 WeakPolarHBondContact CD2-O 3.24Å; L105-R126 HydrophobicContact CD2-CG 4.26Å
106Y90Very high84.2Confident6 Ų645.5 Ų45.52%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-91.1117.2166.7169.2-139000109.9H94 T108 Q122 F123 L132 I139 F160H94-Y106 HydrophobicContact CB-CE2 3.93Å; H94-Y106 AromaticContact ND1-CZ 3.85Å; H94-Y106 PolarHBondContact ND1-OH 2.93Å; Y106-T108 HydrophobicContact CE2-CG2 3.86Å; Y106-Q122 HydrophobicContact CD1-CB 3.55Å; Y106-Q122 HydrophobicContact CD1-CG 4.42Å; Y106-Q122 HydrophobicContact CE1-CB 3.29Å; Y106-Q122 HydrophobicContact CE1-CG 3.88Å; Y106-Q122 HydrophobicContact CG-CB 4.43Å; Y106-Q122 PolarHBondContact O-N 3.35Å; Y106-F123 HydrophobicContact CD1-CB 4.47Å; Y106-L132 HydrophobicContact CD1-CD1 4.29Å; Y106-L132 HydrophobicContact CD2-CD1 3.55Å; Y106-L132 HydrophobicContact CD2-CD2 3.61Å; Y106-L132 HydrophobicContact CD2-CG 4.22Å; Y106-L132 HydrophobicContact CE1-CD1 4.5Å; Y106-L132 HydrophobicContact CE2-CD1 3.8Å; Y106-L132 HydrophobicContact CE2-CD2 3.97Å; Y106-L132 HydrophobicContact CG-CD1 3.83Å; Y106-I139 HydrophobicContact CE1-CD1 4.38Å; Y106-I139 HydrophobicContact CE1-CG2 4.22Å; Y106-I139 WeakPolarHBondContact OH-CD1 3.39Å; Y106-F160 HydrophobicContact CD1-CE2 4.06Å; Y106-F160 AromaticContact CD1-CZ 3.8Å; Y106-F160 HydrophobicContact CD1-CZ 3.8Å; Y106-F160 AromaticContact CE1-CE2 3.98Å; Y106-F160 HydrophobicContact CE1-CE2 3.98Å; Y106-F160 AromaticContact CE1-CZ 3.72Å; Y106-F160 HydrophobicContact CE1-CZ 3.72Å
107V87.6Confident82.4Confident5 Ų555.2 Ų55.23%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-125.7158.3179.8-57.60000111.5M95 M97 L105 L119M95-V107 HydrophobicContact CG-CG2 3.39Å; M95-V107 PolarHBondContact N-O 3.18Å; M95-V107 PolarHBondContact O-N 2.99Å; M95-V107 HydrophobicContact SD-CG2 4.12Å; M97-V107 HydrophobicContact CG-CG1 4.08Å; M97-V107 HydrophobicContact CG-CG2 3.87Å; M97-V107 HydrophobicContact SD-CB 4.32Å; M97-V107 HydrophobicContact SD-CG1 3.8Å; M97-V107 HydrophobicContact SD-CG2 3.63Å; L105-V107 HydrophobicContact CB-CG1 4.27Å; V107-L119 HydrophobicContact CB-CD2 4.08Å; V107-L119 HydrophobicContact CG1-CD2 4.48Å; V107-L119 HydrophobicContact CG2-CD2 4.03Å
108T86.9Confident80.9Confident7 Ų760 Ų604%0.04333%0.333CS..EExtended strand (participates in β ladder)trans-131.6142.7174.651.90000109.8V93 H94 Y106 T120 Q122V93-T108 VanDerWaalsContact O-CA 3.32Å; V93-T108 WeakPolarHBondContact O-CA 3.09Å; H94-T108 VanDerWaalsContact ND1-CG2 3.27Å; H94-T108 WeakPolarHBondContact ND1-CG2 3.49Å; Y106-T108 HydrophobicContact CE2-CG2 3.86Å; T108-T120 PolarHBondContact N-O 2.87Å; T108-T120 PolarHBondContact OG1-O 3.5Å; T108-Q122 HydrophobicContact CG2-CG 3.64Å; T108-Q122 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q122 PolarHBondContact OG1-NE2 3.36Å
109C85.4Confident79.6Confident6 Ų658.7 Ų58.74%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-151.1157.9171.172.70000112.2V93 M95 C114V93-C109 PolarHBondContact N-O 3.03Å; V93-C109 PolarHBondContact O-N 3.26Å; V93-C109 VanDerWaalsContact O-N 3.1Å; M95-C109 VanDerWaalsContact CE-SG 3.5Å; C109-C114 HydrophobicContact CB-CB 3.69Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.48Å; C109-C114 CovalentContact SG-SG 2.05Å; C109-C114 PolarHBondContact SG-SG 3.28Å
110L87.9Confident78.6Confident58 Ų5861.1 Ų61.130%0.30434%0.344SS..EExtended strand (participates in β ladder)trans-84.7140.3172-61.9175.2000109.6D89 D91 L92 Q112 N113 C114D89-L110 HydrophobicContact CB-CD2 3.91Å; D89-L110 WeakPolarHBondContact OD2-CD2 3.26Å; D91-L110 HydrophobicContact CB-CD2 4.46Å; D91-L110 WeakPolarHBondContact O-CA 3.49Å; L92-L110 HydrophobicContact CB-CD2 4.23Å; L92-L110 HydrophobicContact CD1-CD2 3.96Å; L110-Q112 PolarHBondContact O-N 3.31Å; L110-N113 CarbonylContact O-C 3.5Å; L110-N113 PolarHBondContact O-N 3.29Å; L110-C114 PolarHBondContact O-N 3.25Å
111I87.8Confident77.9Confident6 Ų658.6 Ų58.63%0.03133%0.33CS..THydrogen-bonded Turntrans-56.5-28.6-178.566.3-170.6000113.9K47 L49 A59 T61 L70 W81 D91 V93K47-I111 HydrophobicContact CD-CD1 4.08Å; L49-I111 HydrophobicContact CD2-CG2 4.26Å; A59-I111 HydrophobicContact CB-CB 4.33Å; A59-I111 HydrophobicContact CB-CG2 4.38Å; T61-I111 HydrophobicContact CG2-CD1 3.56Å; T61-I111 HydrophobicContact CG2-CG1 4.2Å; L70-I111 HydrophobicContact CD1-CG2 4.48Å; L70-I111 WeakPolarHBondContact CD2-O 3.33Å; W81-I111 HydrophobicContact CH2-CG2 3.87Å; W81-I111 HydrophobicContact CZ3-CG2 3.69Å; D91-I111 HydrophobicContact CB-CD1 4.03Å; D91-I111 HydrophobicContact CB-CG1 4.06Å; D91-I111 PolarHBondContact O-N 3.41Å; V93-I111 HydrophobicContact CG2-CG2 3.59Å
112Q81.2Confident77.7Confident144 Ų14459.2 Ų59.267%0.67333%0.325SS*.THydrogen-bonded Turntrans-82.4-27.9-179-60.7-177.14.600113.1L110L110-Q112 PolarHBondContact O-N 3.31Å
113N74.3Confident77.2Confident101 Ų10158.4 Ų58.454%0.5431%0.311SS..  trans-138.958.1-168.1-80.4-20.9000111.4L110 S115 M118L110-N113 CarbonylContact O-C 3.5Å; L110-N113 PolarHBondContact O-N 3.29Å; N113-S115 PolarHBondContact O-N 3.11Å; N113-M118 HydrophobicContact CB-SD 4.2Å
114C77.9Confident76.3Confident19 Ų1966.1 Ų66.113%0.12835%0.348CS..  trans-100.177.2176.7-160.40000110.1L70 C109 L110L70-C114 HydrophobicContact CB-CB 4.23Å; L70-C114 HydrophobicContact CD2-CB 3.72Å; L70-C114 PolarHBondContact O-SG 3.41Å; C109-C114 HydrophobicContact CB-CB 3.69Å; C109-C114 WeakPolarHBondContact CB-SG 3.42Å; C109-C114 WeakPolarHBondContact SG-CB 3.48Å; C109-C114 CovalentContact SG-SG 2.05Å; C109-C114 PolarHBondContact SG-SG 3.28Å; L110-C114 PolarHBondContact O-N 3.25Å
115S70.4Confident75.4Confident58 Ų5866.6 Ų66.641%0.40636%0.361SS..  trans-107.9154.9172.668.60000110.5N113 K117 M118 L119N113-S115 PolarHBondContact O-N 3.11Å; S115-K117 PolarHBondContact O-N 2.58Å; S115-M118 WeakPolarHBondContact O-CA 3.36Å; S115-M118 PolarHBondContact O-N 3.31Å; S115-L119 PolarHBondContact O-N 2.91Å
116D65.5Low75.2Confident126 Ų12671 Ų7167%0.67437%0.374SS*.THydrogen-bonded Turntrans-55.4-26.7-178.7-64.2-16.8000113.8M118 L119D116-M118 VanDerWaalsContact C-N 3.35Å; D116-L119 HydrophobicContact CB-CD1 4.44Å
117K57.7Low75.3Confident204 Ų20471 Ų7189%0.88738%0.375SS*.THydrogen-bonded Turntrans-78.4-16.4177.2-67.7-176.7178.9179.50114.1S115S115-K117 PolarHBondContact O-N 2.58Å
118M58.7Low75.5Confident113 Ų11372.4 Ų72.456%0.55738%0.382SS*.THydrogen-bonded Turntrans-1101.7-179.1-66.9-165.913500112.7N113 S115 D116 T120N113-M118 HydrophobicContact CB-SD 4.2Å; S115-M118 WeakPolarHBondContact O-CA 3.36Å; S115-M118 PolarHBondContact O-N 3.31Å; D116-M118 VanDerWaalsContact C-N 3.35Å; M118-T120 PolarHBondContact O-N 3.38Å
119L64.4Low75.7Confident47 Ų4777 Ų7725%0.24640%0.403CS..  trans-62118.2170.6-76.2168.6000109.4Q71 M97 V107 S115 D116Q71-L119 HydrophobicContact CG-CD2 4.25Å; M97-L119 HydrophobicContact SD-CD1 4.35Å; M97-L119 HydrophobicContact SD-CD2 4.48Å; V107-L119 HydrophobicContact CB-CD2 4.08Å; V107-L119 HydrophobicContact CG1-CD2 4.48Å; V107-L119 HydrophobicContact CG2-CD2 4.03Å; S115-L119 PolarHBondContact O-N 2.91Å; D116-L119 HydrophobicContact CB-CD1 4.44Å
120T64.1Low76Confident78 Ų7879.8 Ų79.848%0.47942%0.417SS..EExtended strand (participates in β ladder)trans-102.5108.6173.3-48.60000107.7T108 M118 Q122T108-T120 PolarHBondContact N-O 2.87Å; T108-T120 PolarHBondContact OG1-O 3.5Å; M118-T120 PolarHBondContact O-N 3.38Å; T120-Q122 PolarHBondContact O-N 2.8Å
121A66.4Low76.2Confident61 Ų6177.8 Ų77.850%0.50441%0.408SS..EExtended strand (participates in β ladder)trans-67.6117.8167.900000107.8
122Q75.5Confident76.5Confident85 Ų8577.5 Ų77.540%0.39741%0.407SS..  trans-89-18.8-176.2-65.8-60-26.100112.3Y106 T108 T120 F160Y106-Q122 HydrophobicContact CD1-CB 3.55Å; Y106-Q122 HydrophobicContact CD1-CG 4.42Å; Y106-Q122 HydrophobicContact CE1-CB 3.29Å; Y106-Q122 HydrophobicContact CE1-CG 3.88Å; Y106-Q122 HydrophobicContact CG-CB 4.43Å; Y106-Q122 PolarHBondContact O-N 3.35Å; T108-Q122 HydrophobicContact CG2-CG 3.64Å; T108-Q122 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q122 PolarHBondContact OG1-NE2 3.36Å; T120-Q122 PolarHBondContact O-N 2.8Å; Q122-F160 HydrophobicContact CB-CE2 4.48Å
123F74.4Confident77.2Confident22 Ų2272.7 Ų72.710%0.09639%0.385CS..SBendtrans-115.9130.6175.2-173.7-96.4000110.2Y106 G125 I127 V141 V143 Y152 F160Y106-F123 HydrophobicContact CD1-CB 4.47Å; F123-G125 PolarHBondContact O-N 3.45Å; F123-I127 HydrophobicContact CD1-CG2 3.77Å; F123-I127 HydrophobicContact CE1-CG2 4.27Å; F123-I127 HydrophobicContact CG-CG2 4.28Å; F123-V141 HydrophobicContact CD2-CG2 3.8Å; F123-V141 HydrophobicContact CE2-CG2 3.92Å; F123-V141 HydrophobicContact CG-CG2 4.25Å; F123-V141 HydrophobicContact CZ-CG2 4.47Å; F123-V143 HydrophobicContact CD1-CG2 4.48Å; F123-V143 HydrophobicContact CE1-CG2 3.49Å; F123-V143 VanDerWaalsContact CE1-CG2 3.49Å; F123-V143 HydrophobicContact CZ-CG2 3.58Å; F123-Y152 HydrophobicContact CE2-CD1 4.03Å; F123-Y152 HydrophobicContact CE2-CD2 4.07Å; F123-Y152 HydrophobicContact CE2-CE1 4.44Å; F123-Y152 HydrophobicContact CE2-CE2 4.49Å; F123-Y152 AromaticContact CE2-CG 3.84Å; F123-Y152 HydrophobicContact CE2-CG 3.84Å; F123-Y152 HydrophobicContact CZ-CD1 4.46Å; F123-Y152 AromaticContact CZ-CD2 3.99Å; F123-Y152 HydrophobicContact CZ-CD2 3.99Å; F123-Y152 HydrophobicContact CZ-CE2 4.05Å; F123-Y152 HydrophobicContact CZ-CG 4.22Å; F123-F160 HydrophobicContact CB-CD2 4.38Å; F123-F160 HydrophobicContact CB-CE2 4.24Å; F123-F160 HydrophobicContact CD2-CB 3.85Å; F123-F160 HydrophobicContact CD2-CD1 4.07Å; F123-F160 AromaticContact CD2-CD2 3.77Å; F123-F160 HydrophobicContact CD2-CD2 3.77Å; F123-F160 HydrophobicContact CD2-CE2 4.3Å; F123-F160 AromaticContact CD2-CG 3.63Å; F123-F160 HydrophobicContact CD2-CG 3.63Å; F123-F160 HydrophobicContact CE2-CB 3.96Å; F123-F160 HydrophobicContact CE2-CG 4.16Å
124L66.2Low78.1Confident172 Ų17268.4 Ų68.490%0.90136%0.363SS*.SBendtrans-77.284.6177.7-67173.2000110
125G71.6Confident78.7Confident38 Ų3870.7 Ų70.739%0.39237%0.372SS..SBendtrans143.7-175175.100000113.5L105 F123L105-G125 WeakPolarHBondContact CD2-O 3.24Å; F123-G125 PolarHBondContact O-N 3.45Å
126R85.5Confident79.7Confident134 Ų13471.5 Ų71.551%0.50637%0.371SS..PPolyproline II helixtrans-88.2138.7172.2-67.8176.4-178-178.78.7109.7D99 S101 H104 L105D99-R126 IonicContact OD2-CZ 2.59Å; D99-R126 IonicContact OD2-NE 3.56Å; D99-R126 PolarHBondContact OD2-NE 3.28Å; D99-R126 IonicContact OD2-NH2 2.7Å; D99-R126 PolarHBondContact OD2-NH2 3.13Å; S101-R126 PolarHBondContact OG-NH1 2.78Å; S101-R126 PolarHBondContact OG-NH2 3.43Å; H104-R126 WeakPolarHBondContact O-CA 3.31Å; L105-R126 HydrophobicContact CD2-CG 4.26Å
127I92Very high81Confident7 Ų766.8 Ų66.84%0.03635%0.346CS..BIsolated β-bridgetrans-101.2160.1172.462168.9000109.4E96 H104 F123 L132 V141 K142 V143E96-I127 HydrophobicContact CG-CD1 3.91Å; H104-I127 HydrophobicContact CB-CG1 4.07Å; H104-I127 WeakPolarHBondContact CB-O 3.26Å; H104-I127 PolarHBondContact O-N 3.07Å; F123-I127 HydrophobicContact CD1-CG2 3.77Å; F123-I127 HydrophobicContact CE1-CG2 4.27Å; F123-I127 HydrophobicContact CG-CG2 4.28Å; I127-L132 HydrophobicContact CD1-CB 4.49Å; I127-V141 HydrophobicContact CG2-CB 3.96Å; I127-V141 HydrophobicContact CG2-CG1 4.26Å; I127-V141 HydrophobicContact CG2-CG2 4.33Å; I127-K142 WeakPolarHBondContact CA-O 3.31Å; I127-V143 HydrophobicContact CG2-CG2 4.34Å
128D91.7Very high82.8Confident35 Ų3557.1 Ų57.119%0.18730%0.304CS..PPolyproline II helixtrans-70.2152.6173.1-67.6-1.3000109.7S131 K142 T144D128-S131 WeakPolarHBondContact O-CB 3.41Å; D128-S131 PolarHBondContact O-N 3.47Å; D128-S131 PolarHBondContact O-OG 2.78Å; D128-K142 HydrophobicContact CB-CB 4.33Å; D128-K142 HydrophobicContact CB-CD 4.23Å; D128-K142 HydrophobicContact CB-CG 4.35Å; D128-K142 PolarHBondContact N-O 2.97Å; D128-K142 WeakPolarHBondContact OD2-CD 3.2Å; D128-K142 VanDerWaalsContact OD2-CE 3.26Å; D128-K142 WeakPolarHBondContact OD2-CE 2.91Å; D128-K142 WeakPolarHBondContact OD2-CG 3.45Å; D128-T144 WeakPolarHBondContact OD1-CB 3.4Å; D128-T144 PolarHBondContact OD1-N 3.47Å; D128-T144 PolarHBondContact OD1-OG1 2.68Å; D128-T144 WeakPolarHBondContact OD2-CB 2.95Å; D128-T144 PolarHBondContact OD2-OG1 3.07Å
129H91.8Very high84.5Confident103 Ų10351.9 Ų51.948%0.47728%0.279SS..THydrogen-bonded Turntrans-59.5141.2173.5-179.253.1000111.1T75 E96 H104 S131T75-H129 VanDerWaalsContact CG2-CE1 3.46Å; T75-H129 WeakPolarHBondContact CG2-CE1 3.41Å; E96-H129 IonicContact OE2-ND1 2.81Å; H104-H129 AromaticContact CE1-CG 3.89Å; H104-H129 AromaticContact CE1-ND1 3.2Å; H104-H129 PolarHBondContact CE1-ND1 3.36Å; H104-H129 AromaticContact ND1-ND1 3.68Å; H104-H129 AromaticContact NE2-CG 3.89Å; H104-H129 AromaticContact NE2-ND1 3.67Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.28Å
130N90.4Very high86.1Confident65 Ų6550.2 Ų50.235%0.34827%0.269SS..THydrogen-bonded Turntrans59.631.9-179.5-68.9-29.6000113.7T75 R78 E96T75-N130 WeakPolarHBondContact CG2-OD1 3.16Å; R78-N130 PolarHBondContact NE-O 3.11Å; R78-N130 PolarHBondContact NH2-O 3.29Å; R78-N130 VanDerWaalsContact NH2-O 3.11Å; E96-N130 PolarHBondContact OE1-N 3.4Å; E96-N130 PolarHBondContact OE2-N 2.84Å
131S92.3Very high87.5Confident16 Ų1646.7 Ų46.711%0.11225%0.248CC..  trans-101.5-24.1-175.168.80000114.6E96 D128 H129 L133E96-S131 PolarHBondContact OE1-N 3.08Å; D128-S131 WeakPolarHBondContact O-CB 3.41Å; D128-S131 PolarHBondContact O-N 3.47Å; D128-S131 PolarHBondContact O-OG 2.78Å; H129-S131 VanDerWaalsContact C-N 3.25Å; H129-S131 PolarHBondContact O-N 3.28Å; S131-L133 PolarHBondContact O-N 3.33Å
132L94.8Very high88.8Confident0 Ų046.8 Ų46.80%024%0.237CC..  trans-67.3127.7-178.6-179.464.8000111.4R78 F80 M95 E96 Y106 I127 V134 I139 V141R78-L132 WeakPolarHBondContact CD-O 3.24Å; R78-L132 PolarHBondContact NH1-O 2.83Å; F80-L132 HydrophobicContact CD2-CD2 4.32Å; F80-L132 HydrophobicContact CD2-CG 4.45Å; F80-L132 HydrophobicContact CE2-CD2 4.34Å; F80-L132 HydrophobicContact CE2-CG 4.15Å; M95-L132 VanDerWaalsContact C-CD2 3.49Å; E96-L132 HydrophobicContact CB-CB 4.09Å; E96-L132 HydrophobicContact CB-CD2 4.17Å; E96-L132 PolarHBondContact OE1-N 3.3Å; Y106-L132 HydrophobicContact CD1-CD1 4.29Å; Y106-L132 HydrophobicContact CD2-CD1 3.55Å; Y106-L132 HydrophobicContact CD2-CD2 3.61Å; Y106-L132 HydrophobicContact CD2-CG 4.22Å; Y106-L132 HydrophobicContact CE1-CD1 4.5Å; Y106-L132 HydrophobicContact CE2-CD1 3.8Å; Y106-L132 HydrophobicContact CE2-CD2 3.97Å; Y106-L132 HydrophobicContact CG-CD1 3.83Å; I127-L132 HydrophobicContact CD1-CB 4.49Å; L132-V134 HydrophobicContact CD1-CG2 4.16Å; L132-V134 HydrophobicContact CG-CG2 4.39Å; L132-I139 HydrophobicContact CD1-CG2 3.88Å; L132-V141 HydrophobicContact CD1-CG1 4.09Å
133L95.1Very high89.5Confident42 Ų4243.6 Ų43.622%0.2222%0.223CC..EExtended strand (participates in β ladder)trans-136.3124.7169.3-178.966.3000109.5F80 S131 I139 F140 I176F80-L133 HydrophobicContact CE1-CD1 4.48Å; F80-L133 HydrophobicContact CZ-CD1 4.34Å; S131-L133 PolarHBondContact O-N 3.33Å; L133-I139 CarbonylContact O-C 3.57Å; L133-I139 WeakPolarHBondContact O-CA 3.2Å; L133-F140 HydrophobicContact CB-CB 4.36Å; L133-F140 HydrophobicContact CB-CD2 4.37Å; L133-F140 HydrophobicContact CD2-CD2 4.02Å; L133-F140 HydrophobicContact CG-CD2 4.33Å; L133-F140 PolarHBondContact N-O 3.34Å; L133-F140 VanDerWaalsContact N-O 3.1Å; L133-F140 PolarHBondContact O-N 2.77Å; L133-I176 HydrophobicContact CD2-CB 3.87Å; L133-I176 HydrophobicContact CD2-CG1 3.73Å; L133-I176 HydrophobicContact CD2-CG2 4.35Å
134V93.4Very high90.1Very high12 Ų1245.4 Ų45.47%0.07324%0.236CC..EExtended strand (participates in β ladder)trans-115.6115.9174.3-176.50000107.8F80 V83 H94 L132 I139F80-V134 HydrophobicContact CB-CB 3.83Å; F80-V134 HydrophobicContact CB-CG1 4.41Å; F80-V134 HydrophobicContact CB-CG2 4.1Å; F80-V134 HydrophobicContact CD1-CB 4.21Å; F80-V134 HydrophobicContact CD2-CB 3.96Å; F80-V134 HydrophobicContact CD2-CG2 3.73Å; F80-V134 HydrophobicContact CE2-CG2 4.41Å; F80-V134 HydrophobicContact CG-CB 3.73Å; F80-V134 HydrophobicContact CG-CG2 3.99Å; V83-V134 HydrophobicContact CG2-CG1 4.4Å; H94-V134 HydrophobicContact CB-CG2 3.89Å; L132-V134 HydrophobicContact CD1-CG2 4.16Å; L132-V134 HydrophobicContact CG-CG2 4.39Å; V134-I139 HydrophobicContact CG1-CG1 4.16Å; V134-I139 HydrophobicContact CG2-CG1 4.17Å; V134-I139 HydrophobicContact CG2-CG2 4.27Å
135Q90.4Very high90.7Very high66 Ų6642 Ų4231%0.30822%0.222SC..EExtended strand (participates in β ladder)trans-147.7125.9-175.9-165.1177.9-20.400110.5D137 Y138 T179Q135-D137 PolarHBondContact O-N 2.72Å; Q135-Y138 PolarHBondContact N-O 2.76Å; Q135-Y138 PolarHBondContact O-N 3.5Å; Q135-Y138 VanDerWaalsContact O-O 3.08Å; Q135-T179 VanDerWaalsContact CG-OG1 3.24Å; Q135-T179 WeakPolarHBondContact CG-OG1 3.41Å; Q135-T179 PolarHBondContact NE2-OG1 2.83Å
136D91.3Very high91Very high75 Ų7543.4 Ų43.440%0.40124%0.237SC..THydrogen-bonded Turntrans49-125.7-177-53.3-43.6000111.9Y138 T179D136-Y138 VanDerWaalsContact C-N 3.27Å; D136-Y138 PolarHBondContact O-N 2.03Å; D136-T179 WeakPolarHBondContact OD2-CB 3.3Å; D136-T179 PolarHBondContact OD2-OG1 3.42Å
137D93.4Very high90.6Very high28 Ų2845.4 Ų45.415%0.1526%0.258CS..THydrogen-bonded Turntrans-78.4-4.3178.5-73.26.7000113.3V86 Q135 Y155 R156V86-D137 WeakPolarHBondContact CG2-OD1 3.46Å; Q135-D137 PolarHBondContact O-N 2.72Å; D137-Y155 HydrophobicContact CB-CD2 3.9Å; D137-Y155 HydrophobicContact CB-CE2 3.56Å; D137-R156 HydrophobicContact CB-CG 4.23Å; D137-R156 PolarHBondContact O-N 2.83Å; D137-R156 IonicContact OD2-NE 3.85Å; D137-R156 PolarHBondContact OD2-NE 2.75Å; D137-R156 IonicContact OD2-NH2 3.11Å
138Y95.8Very high90Very high1 Ų154.7 Ų54.70%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-115.3150-167.5-54.3-86.4000113.5Q135 D136 F140 V153 S154 Y155 T179 S182 Q183 V184 S204Q135-Y138 PolarHBondContact N-O 2.76Å; Q135-Y138 PolarHBondContact O-N 3.5Å; Q135-Y138 VanDerWaalsContact O-O 3.08Å; D136-Y138 VanDerWaalsContact C-N 3.27Å; D136-Y138 PolarHBondContact O-N 2.03Å; Y138-F140 HydrophobicContact CD1-CZ 4.47Å; Y138-F140 HydrophobicContact CG-CE2 4.43Å; Y138-F140 HydrophobicContact CG-CZ 4.08Å; Y138-V153 HydrophobicContact CD1-CG2 3.98Å; Y138-S154 CarbonylContact C-O 3.58Å; Y138-S154 WeakPolarHBondContact CA-O 3.42Å; Y138-Y155 AromaticContact CD1-CD2 3.8Å; Y138-Y155 HydrophobicContact CD1-CD2 3.8Å; Y138-Y155 AromaticContact CE1-CD2 3.34Å; Y138-Y155 HydrophobicContact CE1-CD2 3.34Å; Y138-Y155 AromaticContact CE1-CE2 3.97Å; Y138-Y155 HydrophobicContact CE1-CE2 3.97Å; Y138-Y155 HydrophobicContact CE1-CG 4.2Å; Y138-Y155 AromaticContact CZ-CD2 3.79Å; Y138-Y155 AromaticContact CZ-CE2 3.93Å; Y138-T179 HydrophobicContact CD2-CG2 3.93Å; Y138-S182 PolarHBondContact OH-O 2.85Å; Y138-Q183 PolarHBondContact OH-N 3.19Å; Y138-V184 HydrophobicContact CD1-CG2 3.9Å; Y138-V184 HydrophobicContact CD2-CG2 4.21Å; Y138-V184 HydrophobicContact CE1-CG2 3.8Å; Y138-V184 HydrophobicContact CE2-CG2 4.11Å; Y138-V184 HydrophobicContact CG-CG2 4.12Å; Y138-S204 PolarHBondContact OH-O 3.37Å
139I95.1Very high89.8Confident3 Ų355 Ų552%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-127.4134.7165.3-57.8167.5000108.3Y106 L132 L133 V134 V153 S154 F160Y106-I139 HydrophobicContact CE1-CD1 4.38Å; Y106-I139 HydrophobicContact CE1-CG2 4.22Å; Y106-I139 WeakPolarHBondContact OH-CD1 3.39Å; L132-I139 HydrophobicContact CD1-CG2 3.88Å; L133-I139 CarbonylContact O-C 3.57Å; L133-I139 WeakPolarHBondContact O-CA 3.2Å; V134-I139 HydrophobicContact CG1-CG1 4.16Å; V134-I139 HydrophobicContact CG2-CG1 4.17Å; V134-I139 HydrophobicContact CG2-CG2 4.27Å; I139-V153 CarbonylContact O-C 3.53Å; I139-V153 VanDerWaalsContact O-CA 3.27Å; I139-V153 WeakPolarHBondContact O-CA 3.03Å; I139-S154 PolarHBondContact N-O 2.91Å; I139-S154 PolarHBondContact O-N 2.88Å; I139-F160 HydrophobicContact CB-CE1 4.31Å; I139-F160 HydrophobicContact CB-CZ 4.27Å; I139-F160 HydrophobicContact CG2-CE1 3.93Å; I139-F160 HydrophobicContact CG2-CZ 3.77Å
140F96.1Very high89.6Confident12 Ų1253 Ų535%0.05329%0.285CS..EExtended strand (participates in β ladder)trans-118.8142176.8-53.4-86.4000111L133 Y138 Y152 V153 M163 I176 T179 V184L133-F140 HydrophobicContact CB-CB 4.36Å; L133-F140 HydrophobicContact CB-CD2 4.37Å; L133-F140 HydrophobicContact CD2-CD2 4.02Å; L133-F140 HydrophobicContact CG-CD2 4.33Å; L133-F140 PolarHBondContact N-O 3.34Å; L133-F140 VanDerWaalsContact N-O 3.1Å; L133-F140 PolarHBondContact O-N 2.77Å; Y138-F140 HydrophobicContact CD1-CZ 4.47Å; Y138-F140 HydrophobicContact CG-CE2 4.43Å; Y138-F140 HydrophobicContact CG-CZ 4.08Å; F140-Y152 WeakPolarHBondContact CA-O 3.05Å; F140-V153 HydrophobicContact CD1-CB 4.02Å; F140-V153 HydrophobicContact CD1-CG2 3.86Å; F140-V153 HydrophobicContact CE1-CB 4.02Å; F140-V153 HydrophobicContact CE1-CG2 3.49Å; F140-V153 VanDerWaalsContact CE1-CG2 3.49Å; F140-V153 HydrophobicContact CZ-CG2 4.16Å; F140-M163 HydrophobicContact CD1-CE 4.08Å; F140-M163 HydrophobicContact CD1-SD 4.09Å; F140-M163 HydrophobicContact CE1-CE 4.07Å; F140-I176 HydrophobicContact CD1-CD1 4.11Å; F140-I176 HydrophobicContact CD2-CD1 4.47Å; F140-I176 HydrophobicContact CD2-CG1 4.1Å; F140-I176 HydrophobicContact CE1-CD1 4.04Å; F140-I176 HydrophobicContact CE2-CD1 4.4Å; F140-I176 HydrophobicContact CE2-CG1 4.2Å; F140-I176 HydrophobicContact CE2-CG2 4.3Å; F140-I176 HydrophobicContact CG-CD1 4.32Å; F140-I176 HydrophobicContact CG-CG1 4.28Å; F140-I176 HydrophobicContact CZ-CD1 4.19Å; F140-I176 HydrophobicContact CZ-CG1 4.47Å; F140-T179 HydrophobicContact CE2-CG2 4.04Å; F140-T179 HydrophobicContact CZ-CG2 4.18Å; F140-V184 HydrophobicContact CE1-CG1 4.19Å; F140-V184 HydrophobicContact CE1-CG2 4.27Å; F140-V184 HydrophobicContact CZ-CB 4.48Å; F140-V184 HydrophobicContact CZ-CG1 3.82Å; F140-V184 HydrophobicContact CZ-CG2 3.79Å
141V94.5Very high89.7Confident4 Ų450.9 Ų50.92%0.02427%0.274CS..EExtended strand (participates in β ladder)trans-140.6153.7171.3-61.60000110.8F123 I127 L132 Y152 F160F123-V141 HydrophobicContact CD2-CG2 3.8Å; F123-V141 HydrophobicContact CE2-CG2 3.92Å; F123-V141 HydrophobicContact CG-CG2 4.25Å; F123-V141 HydrophobicContact CZ-CG2 4.47Å; I127-V141 HydrophobicContact CG2-CB 3.96Å; I127-V141 HydrophobicContact CG2-CG1 4.26Å; I127-V141 HydrophobicContact CG2-CG2 4.33Å; L132-V141 HydrophobicContact CD1-CG1 4.09Å; V141-Y152 PolarHBondContact N-O 3.29Å; V141-Y152 PolarHBondContact O-N 3.37Å; V141-F160 HydrophobicContact CB-CE1 4.45Å; V141-F160 HydrophobicContact CG1-CE1 3.98Å; V141-F160 HydrophobicContact CG1-CZ 4.24Å; V141-F160 HydrophobicContact CG2-CD1 3.85Å; V141-F160 HydrophobicContact CG2-CE1 3.73Å; V141-F160 HydrophobicContact CG2-CZ 4.5Å
142K93.1Very high89.8Confident62 Ų6252.2 Ų52.227%0.2728%0.277SS..EExtended strand (participates in β ladder)trans-118137179.7-174-172.1173.7-178.70109.4I127 D128 T149I127-K142 WeakPolarHBondContact CA-O 3.31Å; D128-K142 HydrophobicContact CB-CB 4.33Å; D128-K142 HydrophobicContact CB-CD 4.23Å; D128-K142 HydrophobicContact CB-CG 4.35Å; D128-K142 PolarHBondContact N-O 2.97Å; D128-K142 WeakPolarHBondContact OD2-CD 3.2Å; D128-K142 VanDerWaalsContact OD2-CE 3.26Å; D128-K142 WeakPolarHBondContact OD2-CE 2.91Å; D128-K142 WeakPolarHBondContact OD2-CG 3.45Å; K142-T149 HydrophobicContact CD-CG2 3.89Å; K142-T149 HydrophobicContact CG-CG2 3.43Å; K142-T149 VanDerWaalsContact CG-CG2 3.43Å
143V90.8Very high89.8Confident18 Ų1852.3 Ų52.311%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-134.3117.2179.3-178.30000109.6F123 I127 K150 Y152F123-V143 HydrophobicContact CD1-CG2 4.48Å; F123-V143 HydrophobicContact CE1-CG2 3.49Å; F123-V143 VanDerWaalsContact CE1-CG2 3.49Å; F123-V143 HydrophobicContact CZ-CG2 3.58Å; I127-V143 HydrophobicContact CG2-CG2 4.34Å; V143-K150 PolarHBondContact N-O 2.8Å; V143-K150 PolarHBondContact O-N 3.49Å; V143-Y152 HydrophobicContact CB-CE2 4.14Å; V143-Y152 HydrophobicContact CG2-CD2 4.1Å; V143-Y152 HydrophobicContact CG2-CE2 4.02Å
144T86.3Confident89.7Confident60 Ų6050.4 Ų50.437%0.36827%0.267SS..EExtended strand (participates in β ladder)trans-96.8119.8173.7-620000110.9D128 T149D128-T144 WeakPolarHBondContact OD1-CB 3.4Å; D128-T144 PolarHBondContact OD1-N 3.47Å; D128-T144 PolarHBondContact OD1-OG1 2.68Å; D128-T144 WeakPolarHBondContact OD2-CB 2.95Å; D128-T144 PolarHBondContact OD2-OG1 3.07Å; T144-T149 PolarHBondContact OG1-OG1 3.45Å
145T79.9Confident89.7Confident101 Ų10151.6 Ų51.662%0.6227%0.271SS*.EExtended strand (participates in β ladder)trans-120111.3174.5-54.30000109.9N147 R148T145-N147 PolarHBondContact O-N 3.36Å; T145-R148 PolarHBondContact N-O 2.83Å; T145-R148 PolarHBondContact O-N 2.91Å
146G78.3Confident89.7Confident68 Ų6855.1 Ų55.170%0.70128%0.281SS*.THydrogen-bonded Turntrans62.7-122.6-172.400000110.7
147N76.8Confident89.6Confident176 Ų17654.2 Ų54.294%0.94127%0.272SS*.THydrogen-bonded Turntrans-96.89.3177.5-74.52.8000113.9T145T145-N147 PolarHBondContact O-N 3.36Å
148R78.1Confident89.2Confident201 Ų20158 Ų5876%0.75829%0.292SS*.EExtended strand (participates in β ladder)trans-120.4123.1-177.4-69.3-173.6179.4-179.60.2111.1T145T145-R148 PolarHBondContact N-O 2.83Å; T145-R148 PolarHBondContact O-N 2.91Å
149T87.2Confident88.6Confident43 Ų4366.4 Ų66.426%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-88.2132.7170.6-50.30000109.6K142 T144K142-T149 HydrophobicContact CD-CG2 3.89Å; K142-T149 HydrophobicContact CG-CG2 3.43Å; K142-T149 VanDerWaalsContact CG-CG2 3.43Å; T144-T149 PolarHBondContact OG1-OG1 3.45Å
150K89Confident88.2Confident59 Ų5968 Ų6826%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-116.2142.6170.5-67.6-177.6171.7-158.90109.4V143 Y152V143-K150 PolarHBondContact N-O 2.8Å; V143-K150 PolarHBondContact O-N 3.49Å; K150-Y152 HydrophobicContact CB-CD2 4.41Å; K150-Y152 HydrophobicContact CB-CE2 3.63Å; K150-Y152 HydrophobicContact CD-CE2 4.47Å
151H93.1Very high87.8Confident22 Ų2270.5 Ų70.510%0.10236%0.355CS..EExtended strand (participates in β ladder)trans-112.4137.3176.3-60.9-96.3000109.1M163 F165H151-M163 HydrophobicContact CB-CB 4.39Å; H151-M163 HydrophobicContact CB-CG 4.35Å; H151-M163 HydrophobicContact CB-SD 3.46Å; H151-M163 WeakPolarHBondContact CB-SD 3.39Å; H151-M163 PolarHBondContact O-N 3.06Å; H151-F165 HydrophobicContact CB-CE2 4.42Å
152Y93.3Very high87.6Confident44 Ų4472.9 Ų72.917%0.17337%0.365CS..EExtended strand (participates in β ladder)trans-125.2145.9-178.5-65.7-99.4000110.1F123 F140 V141 V143 K150 F160 V161 Q162F123-Y152 HydrophobicContact CE2-CD1 4.03Å; F123-Y152 HydrophobicContact CE2-CD2 4.07Å; F123-Y152 HydrophobicContact CE2-CE1 4.44Å; F123-Y152 HydrophobicContact CE2-CE2 4.49Å; F123-Y152 AromaticContact CE2-CG 3.84Å; F123-Y152 HydrophobicContact CE2-CG 3.84Å; F123-Y152 HydrophobicContact CZ-CD1 4.46Å; F123-Y152 AromaticContact CZ-CD2 3.99Å; F123-Y152 HydrophobicContact CZ-CD2 3.99Å; F123-Y152 HydrophobicContact CZ-CE2 4.05Å; F123-Y152 HydrophobicContact CZ-CG 4.22Å; F140-Y152 WeakPolarHBondContact CA-O 3.05Å; V141-Y152 PolarHBondContact N-O 3.29Å; V141-Y152 PolarHBondContact O-N 3.37Å; V143-Y152 HydrophobicContact CB-CE2 4.14Å; V143-Y152 HydrophobicContact CG2-CD2 4.1Å; V143-Y152 HydrophobicContact CG2-CE2 4.02Å; K150-Y152 HydrophobicContact CB-CD2 4.41Å; K150-Y152 HydrophobicContact CB-CE2 3.63Å; K150-Y152 HydrophobicContact CD-CE2 4.47Å; Y152-F160 HydrophobicContact CD1-CB 4.46Å; Y152-V161 WeakPolarHBondContact CA-O 3.35Å; Y152-Q162 HydrophobicContact CD1-CB 4.01Å; Y152-Q162 HydrophobicContact CE1-CB 3.76Å; Y152-Q162 HydrophobicContact CE1-CG 4.27Å
153V95.5Very high87.7Confident2 Ų270.2 Ų70.21%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-124143.4175.964.60000109.7Y138 I139 F140 F160 V161 M163 G206 V207Y138-V153 HydrophobicContact CD1-CG2 3.98Å; I139-V153 CarbonylContact O-C 3.53Å; I139-V153 VanDerWaalsContact O-CA 3.27Å; I139-V153 WeakPolarHBondContact O-CA 3.03Å; F140-V153 HydrophobicContact CD1-CB 4.02Å; F140-V153 HydrophobicContact CD1-CG2 3.86Å; F140-V153 HydrophobicContact CE1-CB 4.02Å; F140-V153 HydrophobicContact CE1-CG2 3.49Å; F140-V153 VanDerWaalsContact CE1-CG2 3.49Å; F140-V153 HydrophobicContact CZ-CG2 4.16Å; V153-F160 WeakPolarHBondContact O-CA 3.38Å; V153-V161 PolarHBondContact N-O 3.33Å; V153-V161 PolarHBondContact O-N 2.83Å; V153-M163 HydrophobicContact CB-CG 3.94Å; V153-M163 HydrophobicContact CB-SD 4.43Å; V153-M163 HydrophobicContact CG1-CG 3.93Å; V153-G206 WeakPolarHBondContact CG1-O 3.46Å; V153-V207 HydrophobicContact CG1-CG2 3.96Å
154S92.7Very high87.7Confident1 Ų172 Ų721%0.00736%0.359CS..EExtended strand (participates in β ladder)trans-120.4119.8165.6166.70000108.5Y138 I139 R157 N158Y138-S154 CarbonylContact C-O 3.58Å; Y138-S154 WeakPolarHBondContact CA-O 3.42Å; I139-S154 PolarHBondContact N-O 2.91Å; I139-S154 PolarHBondContact O-N 2.88Å; S154-R157 WeakPolarHBondContact OG-CA 3.04Å; S154-N158 WeakPolarHBondContact CB-O 3.43Å; S154-N158 PolarHBondContact OG-N 2.84Å; S154-N158 PolarHBondContact OG-O 2.89Å
155Y93.1Very high88Confident38 Ų3870.2 Ų70.215%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-97.3127.1176.1176.3-115.8000110.1D137 Y138 R157 N158 Q205D137-Y155 HydrophobicContact CB-CD2 3.9Å; D137-Y155 HydrophobicContact CB-CE2 3.56Å; Y138-Y155 AromaticContact CD1-CD2 3.8Å; Y138-Y155 HydrophobicContact CD1-CD2 3.8Å; Y138-Y155 AromaticContact CE1-CD2 3.34Å; Y138-Y155 HydrophobicContact CE1-CD2 3.34Å; Y138-Y155 AromaticContact CE1-CE2 3.97Å; Y138-Y155 HydrophobicContact CE1-CE2 3.97Å; Y138-Y155 HydrophobicContact CE1-CG 4.2Å; Y138-Y155 AromaticContact CZ-CD2 3.79Å; Y138-Y155 AromaticContact CZ-CE2 3.93Å; Y155-R157 PolarHBondContact O-N 2.89Å; Y155-N158 WeakPolarHBondContact O-CB 3.33Å; Y155-N158 PolarHBondContact O-N 3Å; Y155-N158 PolarHBondContact O-ND2 2.86Å; Y155-Q205 HydrophobicContact CD1-CB 4.48Å; Y155-Q205 HydrophobicContact CD1-CG 4.09Å
156R90.7Very high88.5Confident140 Ų14066.2 Ų66.253%0.52832%0.321SS..THydrogen-bonded Turntrans50.540.5-176.2-65.2-173.7169.9-173.6-0.7113.7V86 D137 N158V86-R156 HydrophobicContact CG1-CB 4.46Å; V86-R156 HydrophobicContact CG1-CG 4.45Å; D137-R156 HydrophobicContact CB-CG 4.23Å; D137-R156 PolarHBondContact O-N 2.83Å; D137-R156 IonicContact OD2-NE 3.85Å; D137-R156 PolarHBondContact OD2-NE 2.75Å; D137-R156 IonicContact OD2-NH2 3.11Å; R156-N158 PolarHBondContact O-N 2.85Å
157R88.1Confident88.9Confident56 Ų5668.8 Ų68.821%0.21131%0.314CS..THydrogen-bonded Turntrans6122.6177.3-43-56.2-177.3-117.1-2.9114.4V83 V86 D87 S154 Y155V83-R157 VanDerWaalsContact CG2-NH2 3.29Å; V86-R157 HydrophobicContact CG1-CG 4.21Å; D87-R157 WeakPolarHBondContact OD1-CD 3.3Å; D87-R157 VanDerWaalsContact OD1-CG 3.24Å; D87-R157 WeakPolarHBondContact OD1-CG 3.49Å; D87-R157 IonicContact OD1-CZ 3.99Å; D87-R157 IonicContact OD1-NE 3.52Å; D87-R157 PolarHBondContact OD1-NE 2.82Å; D87-R157 IonicContact OD1-NH2 2.91Å; D87-R157 IonicContact OD2-CZ 2.7Å; D87-R157 IonicContact OD2-NE 2.69Å; D87-R157 PolarHBondContact OD2-NE 3.28Å; D87-R157 IonicContact OD2-NH2 3.23Å; D87-R157 PolarHBondContact OD2-NH2 3.4Å; S154-R157 WeakPolarHBondContact OG-CA 3.04Å; Y155-R157 PolarHBondContact O-N 2.89Å
158N86.1Confident89.2Confident107 Ų10766.3 Ų66.357%0.57229%0.292SS*.  trans-75.8-176.5170.4-67.3-56.6000111S154 Y155 R156S154-N158 WeakPolarHBondContact CB-O 3.43Å; S154-N158 PolarHBondContact OG-N 2.84Å; S154-N158 PolarHBondContact OG-O 2.89Å; Y155-N158 WeakPolarHBondContact O-CB 3.33Å; Y155-N158 PolarHBondContact O-N 3Å; Y155-N158 PolarHBondContact O-ND2 2.86Å; R156-N158 PolarHBondContact O-N 2.85Å
159E82.8Confident89.6Confident178 Ų17857.2 Ų57.283%0.83226%0.259SS*.  trans-56.4147.2176.4-63.1-173.4160.100112.4V161E159-V161 PolarHBondContact O-N 2.82Å
160F86.1Confident89.5Confident37 Ų3759.8 Ų59.816%0.16227%0.271CS..  trans-72.2125.4177.3-80.2-90.2000110.9Y106 Q122 F123 I139 V141 Y152 V153Y106-F160 HydrophobicContact CD1-CE2 4.06Å; Y106-F160 AromaticContact CD1-CZ 3.8Å; Y106-F160 HydrophobicContact CD1-CZ 3.8Å; Y106-F160 AromaticContact CE1-CE2 3.98Å; Y106-F160 HydrophobicContact CE1-CE2 3.98Å; Y106-F160 AromaticContact CE1-CZ 3.72Å; Y106-F160 HydrophobicContact CE1-CZ 3.72Å; Q122-F160 HydrophobicContact CB-CE2 4.48Å; F123-F160 HydrophobicContact CB-CD2 4.38Å; F123-F160 HydrophobicContact CB-CE2 4.24Å; F123-F160 HydrophobicContact CD2-CB 3.85Å; F123-F160 HydrophobicContact CD2-CD1 4.07Å; F123-F160 AromaticContact CD2-CD2 3.77Å; F123-F160 HydrophobicContact CD2-CD2 3.77Å; F123-F160 HydrophobicContact CD2-CE2 4.3Å; F123-F160 AromaticContact CD2-CG 3.63Å; F123-F160 HydrophobicContact CD2-CG 3.63Å; F123-F160 HydrophobicContact CE2-CB 3.96Å; F123-F160 HydrophobicContact CE2-CG 4.16Å; I139-F160 HydrophobicContact CB-CE1 4.31Å; I139-F160 HydrophobicContact CB-CZ 4.27Å; I139-F160 HydrophobicContact CG2-CE1 3.93Å; I139-F160 HydrophobicContact CG2-CZ 3.77Å; V141-F160 HydrophobicContact CB-CE1 4.45Å; V141-F160 HydrophobicContact CG1-CE1 3.98Å; V141-F160 HydrophobicContact CG1-CZ 4.24Å; V141-F160 HydrophobicContact CG2-CD1 3.85Å; V141-F160 HydrophobicContact CG2-CE1 3.73Å; V141-F160 HydrophobicContact CG2-CZ 4.5Å; Y152-F160 HydrophobicContact CD1-CB 4.46Å; V153-F160 WeakPolarHBondContact O-CA 3.38Å
161V88.7Confident89.5Confident64 Ų6458.9 Ų58.939%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-111.5137.1176.8-177.10000109Y152 V153 E159 M163 V207Y152-V161 WeakPolarHBondContact CA-O 3.35Å; V153-V161 PolarHBondContact N-O 3.33Å; V153-V161 PolarHBondContact O-N 2.83Å; E159-V161 PolarHBondContact O-N 2.82Å; V161-M163 PolarHBondContact O-N 2.85Å; V161-V207 HydrophobicContact CB-CG2 4.17Å; V161-V207 HydrophobicContact CG1-CG1 3.9Å; V161-V207 HydrophobicContact CG1-CG2 4.01Å
162Q90.6Very high89.2Confident53 Ų5363.3 Ų63.325%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-66.4126.1175.1-168.2-172-44.700109.7Y152 R164Y152-Q162 HydrophobicContact CD1-CB 4.01Å; Y152-Q162 HydrophobicContact CE1-CB 3.76Å; Y152-Q162 HydrophobicContact CE1-CG 4.27Å; Q162-R164 PolarHBondContact O-NE 3.06Å; Q162-R164 VanDerWaalsContact O-NE 3.09Å
163M93.6Very high89Confident7 Ų763 Ų633%0.03429%0.291CS..  trans-62.7140.8175.9-60.4165.680.300110.4F140 H151 V153 V161 F165 L186 Y209F140-M163 HydrophobicContact CD1-CE 4.08Å; F140-M163 HydrophobicContact CD1-SD 4.09Å; F140-M163 HydrophobicContact CE1-CE 4.07Å; H151-M163 HydrophobicContact CB-CB 4.39Å; H151-M163 HydrophobicContact CB-CG 4.35Å; H151-M163 HydrophobicContact CB-SD 3.46Å; H151-M163 WeakPolarHBondContact CB-SD 3.39Å; H151-M163 PolarHBondContact O-N 3.06Å; V153-M163 HydrophobicContact CB-CG 3.94Å; V153-M163 HydrophobicContact CB-SD 4.43Å; V153-M163 HydrophobicContact CG1-CG 3.93Å; V161-M163 PolarHBondContact O-N 2.85Å; M163-F165 HydrophobicContact CB-CE1 4.34Å; M163-F165 HydrophobicContact CB-CE2 4.32Å; M163-F165 HydrophobicContact CB-CZ 3.91Å; M163-F165 HydrophobicContact CE-CE1 4.29Å; M163-F165 HydrophobicContact CE-CZ 4.02Å; M163-F165 HydrophobicContact SD-CZ 4.39Å; M163-L186 HydrophobicContact CE-CD1 3.36Å; M163-Y209 HydrophobicContact CB-CE2 4.06Å; M163-Y209 HydrophobicContact CE-CE2 3.55Å; M163-Y209 VanDerWaalsContact CE-CZ 3.47Å; M163-Y209 WeakPolarHBondContact CE-OH 3.24Å; M163-Y209 HydrophobicContact CG-CE2 4.27Å
164R91.6Very high88.9Confident56 Ų5663.7 Ų63.721%0.21130%0.296CS..BIsolated β-bridgetrans-114.3102.4-173.7-55-57.5174.4140.26.5110.1Q162 V207 Y208 Y209 Y495 E520Q162-R164 PolarHBondContact O-NE 3.06Å; Q162-R164 VanDerWaalsContact O-NE 3.09Å; R164-V207 WeakPolarHBondContact CA-O 3.31Å; R164-V207 WeakPolarHBondContact CB-O 3.48Å; R164-V207 HydrophobicContact CG-CG1 4Å; R164-V207 PolarHBondContact N-O 3.23Å; R164-Y208 HydrophobicContact CB-CD1 3.98Å; R164-Y208 HydrophobicContact CB-CE1 4.32Å; R164-Y208 HydrophobicContact CG-CD1 4.21Å; R164-Y208 HydrophobicContact CG-CE1 4.09Å; R164-Y209 PolarHBondContact O-N 2.84Å; R164-Y495 HydrophobicContact CB-CE2 3.98Å; R164-E520 IonicContact CZ-OE1 2.72Å; R164-E520 IonicContact CZ-OE2 2.91Å; R164-E520 VanDerWaalsContact CZ-OE2 3.23Å; R164-E520 VanDerWaalsContact NH1-CD 3.29Å; R164-E520 IonicContact NH1-OE1 2.64Å; R164-E520 PolarHBondContact NH1-OE1 3.2Å; R164-E520 IonicContact NH1-OE2 3.77Å; R164-E520 PolarHBondContact NH1-OE2 3.26Å; R164-E520 IonicContact NH2-OE1 2.72Å; R164-E520 IonicContact NH2-OE2 3.32Å; R164-E520 PolarHBondContact NH2-OE2 2.67Å
165F92.6Very high88.8Confident22 Ų2266.8 Ų66.810%0.09631%0.31CS..  trans-94.4163.6169.4-49-55.4000109.8H151 M163 K167 P171 V174 L186 L188 Y209 Y495H151-F165 HydrophobicContact CB-CE2 4.42Å; M163-F165 HydrophobicContact CB-CE1 4.34Å; M163-F165 HydrophobicContact CB-CE2 4.32Å; M163-F165 HydrophobicContact CB-CZ 3.91Å; M163-F165 HydrophobicContact CE-CE1 4.29Å; M163-F165 HydrophobicContact CE-CZ 4.02Å; M163-F165 HydrophobicContact SD-CZ 4.39Å; F165-K167 PolarHBondContact O-N 3.35Å; F165-P171 HydrophobicContact CD2-CG 4.34Å; F165-V174 HydrophobicContact CE2-CG2 4.41Å; F165-V174 HydrophobicContact CZ-CG1 4.48Å; F165-V174 HydrophobicContact CZ-CG2 4.39Å; F165-L186 HydrophobicContact CE1-CD1 3.91Å; F165-L186 HydrophobicContact CE1-CD2 3.8Å; F165-L186 HydrophobicContact CZ-CD1 4.13Å; F165-L186 HydrophobicContact CZ-CD2 4.4Å; F165-L188 HydrophobicContact CB-CD1 3.99Å; F165-L188 HydrophobicContact CD1-CD1 3.61Å; F165-L188 HydrophobicContact CD2-CD1 3.74Å; F165-L188 HydrophobicContact CE1-CD1 3.99Å; F165-L188 HydrophobicContact CE2-CD1 4.09Å; F165-L188 HydrophobicContact CG-CD1 3.48Å; F165-L188 VanDerWaalsContact CG-CD1 3.48Å; F165-L188 HydrophobicContact CZ-CD1 4.21Å; F165-Y209 AromaticContact CD1-CD2 3.85Å; F165-Y209 HydrophobicContact CD1-CD2 3.85Å; F165-Y209 AromaticContact CD1-CG 3.95Å; F165-Y209 HydrophobicContact CD1-CG 3.95Å; F165-Y209 HydrophobicContact CE1-CD1 4.46Å; F165-Y209 AromaticContact CE1-CD2 3.65Å; F165-Y209 HydrophobicContact CE1-CD2 3.65Å; F165-Y209 AromaticContact CE1-CE2 3.97Å; F165-Y209 HydrophobicContact CE1-CE2 3.97Å; F165-Y209 AromaticContact CE1-CG 3.93Å; F165-Y209 HydrophobicContact CE1-CG 3.93Å; F165-Y495 PolarHBondContact O-OH 3.18Å
166P90.8Very high88.8Confident16 Ų1666.8 Ų66.810%0.10431%0.312CS..  trans-48.7134.4171.1-26.934.6000111.5Y168 A169 Y200 W512P166-Y168 PolarHBondContact O-N 3.26Å; P166-A169 HydrophobicContact CB-CB 3.88Å; P166-A169 HydrophobicContact CG-CB 4.28Å; P166-A169 PolarHBondContact O-N 2.89Å; P166-Y200 HydrophobicContact CG-CE1 3.72Å; P166-W512 HydrophobicContact CB-CH2 4.44Å; P166-W512 HydrophobicContact CB-CZ2 3.69Å; P166-W512 HydrophobicContact CG-CZ2 4.48Å
167K85.8Confident88.8Confident123 Ų12362.4 Ų62.454%0.53530%0.301SS..THydrogen-bonded Turntrans-54.5-31.6-164.1-175.1177.5-179.7-178.90114.6F165 W512F165-K167 PolarHBondContact O-N 3.35Å; K167-W512 HydrophobicContact CB-CD2 3.76Å; K167-W512 HydrophobicContact CB-CE3 3.54Å; K167-W512 HydrophobicContact CB-CG 4.18Å; K167-W512 HydrophobicContact CB-CZ3 4.1Å; K167-W512 HydrophobicContact CD-CB 4.47Å; K167-W512 HydrophobicContact CD-CE3 4.41Å
168Y84.3Confident88.9Confident124 Ų12460.6 Ų60.649%0.48630%0.297SS..THydrogen-bonded Turntrans-108.5-0.6-178.3-56.6-56.3000114.2P166 L170 F511 W512P166-Y168 PolarHBondContact O-N 3.26Å; Y168-L170 PolarHBondContact O-N 2.86Å; Y168-F511 HydrophobicContact CD2-CE1 4.34Å; Y168-F511 AromaticContact CD2-CE2 3.93Å; Y168-F511 HydrophobicContact CD2-CE2 3.93Å; Y168-F511 AromaticContact CD2-CZ 3.45Å; Y168-F511 HydrophobicContact CD2-CZ 3.45Å; Y168-F511 VanDerWaalsContact CD2-CZ 3.45Å; Y168-F511 AromaticContact CE2-CE2 3.5Å; Y168-F511 HydrophobicContact CE2-CE2 3.5Å; Y168-F511 AromaticContact CE2-CZ 3.55Å; Y168-F511 HydrophobicContact CE2-CZ 3.55Å; Y168-W512 HydrophobicContact CD2-CB 3.93Å; Y168-W512 HydrophobicContact CD2-CG 4.16Å; Y168-W512 HydrophobicContact CE2-CB 3.49Å; Y168-W512 VanDerWaalsContact CE2-CB 3.49Å; Y168-W512 HydrophobicContact CE2-CG 4.22Å
169A85.9Confident89.2Confident9 Ų955.6 Ų55.67%0.07427%0.27CS..  trans-7773.8168.100000109P166 P171 E190P166-A169 HydrophobicContact CB-CB 3.88Å; P166-A169 HydrophobicContact CG-CB 4.28Å; P166-A169 PolarHBondContact O-N 2.89Å; A169-P171 VanDerWaalsContact O-CD 3.26Å; A169-P171 WeakPolarHBondContact O-CD 3.41Å; A169-E190 HydrophobicContact CB-CG 4.31Å
170L85.4Confident89.3Confident98 Ų9849.5 Ų49.551%0.51324%0.243SC..  trans-67.5115.9-176.3-64175.9000109.9Y168 K172 W191Y168-L170 PolarHBondContact O-N 2.86Å; L170-K172 PolarHBondContact O-N 2.81Å; L170-W191 HydrophobicContact CB-CB 4.43Å; L170-W191 HydrophobicContact CB-CG 4.45Å; L170-W191 PolarHBondContact O-N 2.96Å; L170-W191 VanDerWaalsContact O-N 3.08Å
171P88.9Confident89.1Confident39 Ų3949.8 Ų49.825%0.25325%0.245SC..EExtended strand (participates in β ladder)trans-74.4129.1-176.229.1-33.1000110.6F165 A169 V174 L188F165-P171 HydrophobicContact CD2-CG 4.34Å; A169-P171 VanDerWaalsContact O-CD 3.26Å; A169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-V174 HydrophobicContact CB-CG2 3.81Å; P171-L188 HydrophobicContact CB-CD1 4.09Å; P171-L188 HydrophobicContact CB-CD2 4.3Å; P171-L188 HydrophobicContact CB-CG 4.06Å
172K87.6Confident89Confident116 Ų11649.3 Ų49.350%0.50425%0.245SC..EExtended strand (participates in β ladder)trans-91.1-44.7166.6179.9-179.5173.9-170.70110.7L170 Q189 Q193L170-K172 PolarHBondContact O-N 2.81Å; K172-Q189 HydrophobicContact CB-CG 4.42Å; K172-Q189 WeakPolarHBondContact CB-O 3.42Å; K172-Q189 HydrophobicContact CD-CG 4.4Å; K172-Q189 PolarHBondContact N-O 2.87Å; K172-Q193 PolarHBondContact NZ-O 2.8Å
173D88.8Confident89Confident37 Ų3747 Ų4720%0.19823%0.234CC..EExtended strand (participates in β ladder)trans-142.8152.8172.4-167.737.1000111.1Q175 Q189 Y197D173-Q175 PolarHBondContact OD2-NE2 3.3Å; D173-Q189 HydrophobicContact CB-CB 4.38Å; D173-Q189 PolarHBondContact N-O 2.89Å; D173-Q189 PolarHBondContact O-N 2.74Å; D173-Y197 HydrophobicContact CB-CE1 4.41Å; D173-Y197 PolarHBondContact OD2-OH 2.78Å
174V92.1Very high89Confident17 Ų1746.7 Ų46.710%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-137.3126.4-178175.70000109.1F165 P171 L186 A187 L188F165-V174 HydrophobicContact CE2-CG2 4.41Å; F165-V174 HydrophobicContact CZ-CG1 4.48Å; F165-V174 HydrophobicContact CZ-CG2 4.39Å; P171-V174 HydrophobicContact CB-CG2 3.81Å; V174-L186 HydrophobicContact CG1-CD1 3.51Å; V174-L186 HydrophobicContact CG1-CD2 4.04Å; V174-L186 HydrophobicContact CG1-CG 3.81Å; V174-A187 WeakPolarHBondContact CA-O 3.23Å; V174-L188 HydrophobicContact CG2-CD1 4.43Å; V174-L188 HydrophobicContact CG2-CG 4.28Å
175Q91.8Very high89.2Confident65 Ų6544.5 Ų44.530%0.30423%0.225SC..EExtended strand (participates in β ladder)trans-123.8133.4178.9-63.6-64.1-25.600110.3D173 A187 Y197 I228D173-Q175 PolarHBondContact OD2-NE2 3.3Å; Q175-A187 HydrophobicContact CB-CB 4.48Å; Q175-A187 PolarHBondContact N-O 3.3Å; Q175-A187 PolarHBondContact O-N 3.26Å; Q175-Y197 HydrophobicContact CG-CE1 4.22Å; Q175-I228 HydrophobicContact CB-CD1 3.75Å; Q175-I228 HydrophobicContact CG-CD1 4.08Å
176I93.2Very high89.3Confident39 Ų3943.5 Ų43.520%0.222%0.22CC..EExtended strand (participates in β ladder)trans-83.6119.1173.5-53.3-53.3000108.1L133 F140 T179 V184 L186L133-I176 HydrophobicContact CD2-CB 3.87Å; L133-I176 HydrophobicContact CD2-CG1 3.73Å; L133-I176 HydrophobicContact CD2-CG2 4.35Å; F140-I176 HydrophobicContact CD1-CD1 4.11Å; F140-I176 HydrophobicContact CD2-CD1 4.47Å; F140-I176 HydrophobicContact CD2-CG1 4.1Å; F140-I176 HydrophobicContact CE1-CD1 4.04Å; F140-I176 HydrophobicContact CE2-CD1 4.4Å; F140-I176 HydrophobicContact CE2-CG1 4.2Å; F140-I176 HydrophobicContact CE2-CG2 4.3Å; F140-I176 HydrophobicContact CG-CD1 4.32Å; F140-I176 HydrophobicContact CG-CG1 4.28Å; F140-I176 HydrophobicContact CZ-CD1 4.19Å; F140-I176 HydrophobicContact CZ-CG1 4.47Å; I176-T179 HydrophobicContact CG2-CG2 3.87Å; I176-V184 HydrophobicContact CD1-CG1 4.17Å; I176-V184 HydrophobicContact CG2-CG1 4.18Å; I176-L186 HydrophobicContact CD1-CD1 3.76Å; I176-L186 HydrophobicContact CD1-CG 4.39Å
177V90.8Very high89.5Confident47 Ų4742.7 Ų42.729%0.28522%0.215SC..EExtended strand (participates in β ladder)trans-89.1-47.3-177.5177.60000110.9L185 A187 L199 I230V177-L185 HydrophobicContact CB-CB 4.45Å; V177-L185 HydrophobicContact CB-CD2 4.16Å; V177-L185 HydrophobicContact CB-CG 4.02Å; V177-L185 WeakPolarHBondContact CB-O 3.46Å; V177-L185 HydrophobicContact CG1-CD2 3.81Å; V177-L185 HydrophobicContact CG1-CG 4.23Å; V177-L185 PolarHBondContact N-O 2.88Å; V177-A187 HydrophobicContact CG2-CB 3.76Å; V177-L199 HydrophobicContact CG2-CD2 4.31Å; V177-I230 HydrophobicContact CG1-CG2 3.6Å; V177-I230 HydrophobicContact CG2-CG2 4.42Å
178S90.4Very high89.9Confident18 Ų1836.9 Ų36.913%0.12619%0.19CC..EExtended strand (participates in β ladder)trans-158.1147179.21800000110.4D180 L185S178-D180 PolarHBondContact OG-N 2.84Å; S178-L185 PolarHBondContact N-O 3.49Å; S178-L185 PolarHBondContact O-N 2.72Å
179T92.3Very high90.4Very high2 Ų231.2 Ų31.21%0.01217%0.168CC..  trans-116.514.1173.845.90000112.4Q135 D136 Y138 F140 I176 Q183 V184Q135-T179 VanDerWaalsContact CG-OG1 3.24Å; Q135-T179 WeakPolarHBondContact CG-OG1 3.41Å; Q135-T179 PolarHBondContact NE2-OG1 2.83Å; D136-T179 WeakPolarHBondContact OD2-CB 3.3Å; D136-T179 PolarHBondContact OD2-OG1 3.42Å; Y138-T179 HydrophobicContact CD2-CG2 3.93Å; F140-T179 HydrophobicContact CE2-CG2 4.04Å; F140-T179 HydrophobicContact CZ-CG2 4.18Å; I176-T179 HydrophobicContact CG2-CG2 3.87Å; T179-Q183 CarbonylContact C-O 3.49Å; T179-Q183 VanDerWaalsContact CA-O 3.24Å; T179-Q183 WeakPolarHBondContact CA-O 3.37Å; T179-V184 HydrophobicContact CG2-CG1 4.29Å; T179-V184 HydrophobicContact CG2-CG2 4.34Å
180D85.1Confident90.6Very high51 Ų5131.8 Ų31.827%0.27317%0.169SC..THydrogen-bonded Turntrans-67.5148.2-176.3-165.220.8000112.6S178 Q183 K237S178-D180 PolarHBondContact OG-N 2.84Å; D180-Q183 WeakPolarHBondContact O-CG 3.26Å; D180-K237 IonicContact OD1-NZ 3.97Å; D180-K237 PolarHBondContact OD1-NZ 2.96Å; D180-K237 IonicContact OD2-NZ 2.83Å; D180-K237 PolarHBondContact OD2-NZ 3.11Å
181E81.2Confident90.6Very high42 Ų4235.1 Ų35.120%0.19618%0.175CC..THydrogen-bonded Turntrans58.543178-47.6-174142.700115.2Q183 K237 K258 S539E181-Q183 VanDerWaalsContact C-N 3.34Å; E181-Q183 PolarHBondContact O-N 2.93Å; E181-K237 HydrophobicContact CG-CD 4.46Å; E181-K237 WeakPolarHBondContact OE1-CB 3.23Å; E181-K237 VanDerWaalsContact OE1-CD 3.26Å; E181-K237 WeakPolarHBondContact OE1-CD 3.39Å; E181-K258 WeakPolarHBondContact OE2-CE 3.49Å; E181-K258 IonicContact OE2-NZ 3.85Å; E181-K258 PolarHBondContact OE2-NZ 2.99Å; E181-S539 VanDerWaalsContact OE2-CB 3.3Å; E181-S539 WeakPolarHBondContact OE2-CB 3.48Å; E181-S539 PolarHBondContact OE2-OG 2.95Å
182S86.1Confident90.3Very high55 Ų5539.5 Ų39.539%0.38519%0.188SC..SBendtrans60.340171.8-51.30000113.8Y138 S204Y138-S182 PolarHBondContact OH-O 2.85Å; S182-S204 VanDerWaalsContact O-CA 3.26Å; S182-S204 WeakPolarHBondContact O-CA 3.41Å
183Q90.3Very high90.2Very high5 Ų534.4 Ų34.42%0.02317%0.165CC..SBendtrans-151.9166.2169.657.2168.470.700109.2Y138 T179 D180 E181 I538Y138-Q183 PolarHBondContact OH-N 3.19Å; T179-Q183 CarbonylContact C-O 3.49Å; T179-Q183 VanDerWaalsContact CA-O 3.24Å; T179-Q183 WeakPolarHBondContact CA-O 3.37Å; D180-Q183 WeakPolarHBondContact O-CG 3.26Å; E181-Q183 VanDerWaalsContact C-N 3.34Å; E181-Q183 PolarHBondContact O-N 2.93Å; Q183-I538 HydrophobicContact CB-CB 4.38Å; Q183-I538 HydrophobicContact CB-CG2 4.15Å; Q183-I538 HydrophobicContact CG-CG2 4.48Å
184V95.1Very high89.9Confident0 Ų036.8 Ų36.80%019%0.185CC..  trans-113.6120.2178.3-171.20000109.2Y138 F140 I176 T179 L186 S202 Y209Y138-V184 HydrophobicContact CD1-CG2 3.9Å; Y138-V184 HydrophobicContact CD2-CG2 4.21Å; Y138-V184 HydrophobicContact CE1-CG2 3.8Å; Y138-V184 HydrophobicContact CE2-CG2 4.11Å; Y138-V184 HydrophobicContact CG-CG2 4.12Å; F140-V184 HydrophobicContact CE1-CG1 4.19Å; F140-V184 HydrophobicContact CE1-CG2 4.27Å; F140-V184 HydrophobicContact CZ-CB 4.48Å; F140-V184 HydrophobicContact CZ-CG1 3.82Å; F140-V184 HydrophobicContact CZ-CG2 3.79Å; I176-V184 HydrophobicContact CD1-CG1 4.17Å; I176-V184 HydrophobicContact CG2-CG1 4.18Å; T179-V184 HydrophobicContact CG2-CG1 4.29Å; T179-V184 HydrophobicContact CG2-CG2 4.34Å; V184-L186 HydrophobicContact CG1-CB 4.47Å; V184-S202 WeakPolarHBondContact CA-OG 3.47Å; V184-S202 WeakPolarHBondContact CB-OG 3.42Å; V184-S202 PolarHBondContact N-OG 3.31Å; V184-S202 PolarHBondContact O-N 2.74Å; V184-S202 PolarHBondContact O-OG 2.64Å; V184-Y209 HydrophobicContact CB-CE1 4.24Å; V184-Y209 WeakPolarHBondContact CB-OH 3.5Å; V184-Y209 HydrophobicContact CG1-CE1 4.32Å; V184-Y209 WeakPolarHBondContact CG1-OH 3.43Å
185L94.1Very high89.6Confident10 Ų1038.8 Ų38.85%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-91.7119.2164.3-178.764.3000108.3V177 S178 I212 I230 F240V177-L185 HydrophobicContact CB-CB 4.45Å; V177-L185 HydrophobicContact CB-CD2 4.16Å; V177-L185 HydrophobicContact CB-CG 4.02Å; V177-L185 WeakPolarHBondContact CB-O 3.46Å; V177-L185 HydrophobicContact CG1-CD2 3.81Å; V177-L185 HydrophobicContact CG1-CG 4.23Å; V177-L185 PolarHBondContact N-O 2.88Å; S178-L185 PolarHBondContact N-O 3.49Å; S178-L185 PolarHBondContact O-N 2.72Å; L185-I212 HydrophobicContact CD1-CD1 3.41Å; L185-I212 VanDerWaalsContact CD1-CD1 3.41Å; L185-I212 HydrophobicContact CD1-CG1 4.48Å; L185-I230 HydrophobicContact CD2-CD1 3.9Å; L185-F240 HydrophobicContact CD2-CD1 4.26Å; L185-F240 HydrophobicContact CD2-CE1 3.81Å; L185-F240 HydrophobicContact CD2-CZ 4.36Å
186L94.8Very high89.7Confident0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-125.4141.6-170.7178.4143000109.6M163 F165 V174 I176 V184 L188 L199 Y200 Y209M163-L186 HydrophobicContact CE-CD1 3.36Å; F165-L186 HydrophobicContact CE1-CD1 3.91Å; F165-L186 HydrophobicContact CE1-CD2 3.8Å; F165-L186 HydrophobicContact CZ-CD1 4.13Å; F165-L186 HydrophobicContact CZ-CD2 4.4Å; V174-L186 HydrophobicContact CG1-CD1 3.51Å; V174-L186 HydrophobicContact CG1-CD2 4.04Å; V174-L186 HydrophobicContact CG1-CG 3.81Å; I176-L186 HydrophobicContact CD1-CD1 3.76Å; I176-L186 HydrophobicContact CD1-CG 4.39Å; V184-L186 HydrophobicContact CG1-CB 4.47Å; L186-L188 HydrophobicContact CD2-CB 3.8Å; L186-L188 HydrophobicContact CD2-CD1 4.38Å; L186-L199 CarbonylContact O-C 3.53Å; L186-L199 WeakPolarHBondContact O-CA 3.37Å; L186-Y200 PolarHBondContact N-O 3.11Å; L186-Y200 PolarHBondContact O-N 3.19Å; L186-Y209 HydrophobicContact CB-CD1 4.09Å; L186-Y209 HydrophobicContact CB-CE1 3.59Å; L186-Y209 HydrophobicContact CD1-CD1 4.46Å; L186-Y209 HydrophobicContact CD1-CE1 3.77Å; L186-Y209 HydrophobicContact CG-CE1 4.2Å
187A95.4Very high89.8Confident0 Ų034.4 Ų34.40%017%0.174CC..EExtended strand (participates in β ladder)trans-109.8125.5170.100000109.2V174 Q175 V177 Y197 N198 L199 I228V174-A187 WeakPolarHBondContact CA-O 3.23Å; Q175-A187 HydrophobicContact CB-CB 4.48Å; Q175-A187 PolarHBondContact N-O 3.3Å; Q175-A187 PolarHBondContact O-N 3.26Å; V177-A187 HydrophobicContact CG2-CB 3.76Å; A187-Y197 HydrophobicContact CB-CD1 3.86Å; A187-Y197 HydrophobicContact CB-CG 4.36Å; A187-N198 CarbonylContact C-O 3.33Å; A187-N198 WeakPolarHBondContact CA-O 3.48Å; A187-L199 HydrophobicContact CB-CD2 3.75Å; A187-I228 HydrophobicContact CB-CD1 3.18Å; A187-I228 HydrophobicContact CB-CG2 4.42Å
188L95.2Very high90.1Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-118.6120.4-177.9-171.9152.5000108.5F165 P171 V174 L186 E190 N198 Y200F165-L188 HydrophobicContact CB-CD1 3.99Å; F165-L188 HydrophobicContact CD1-CD1 3.61Å; F165-L188 HydrophobicContact CD2-CD1 3.74Å; F165-L188 HydrophobicContact CE1-CD1 3.99Å; F165-L188 HydrophobicContact CE2-CD1 4.09Å; F165-L188 HydrophobicContact CG-CD1 3.48Å; F165-L188 VanDerWaalsContact CG-CD1 3.48Å; F165-L188 HydrophobicContact CZ-CD1 4.21Å; P171-L188 HydrophobicContact CB-CD1 4.09Å; P171-L188 HydrophobicContact CB-CD2 4.3Å; P171-L188 HydrophobicContact CB-CG 4.06Å; V174-L188 HydrophobicContact CG2-CD1 4.43Å; V174-L188 HydrophobicContact CG2-CG 4.28Å; L186-L188 HydrophobicContact CD2-CB 3.8Å; L186-L188 HydrophobicContact CD2-CD1 4.38Å; L188-E190 HydrophobicContact CD2-CB 4.41Å; L188-E190 HydrophobicContact CD2-CG 3.38Å; L188-N198 PolarHBondContact N-O 3.42Å; L188-N198 PolarHBondContact O-N 2.77Å; L188-Y200 HydrophobicContact CB-CD2 3.73Å; L188-Y200 HydrophobicContact CB-CE2 3.75Å; L188-Y200 HydrophobicContact CD1-CE2 4.41Å; L188-Y200 HydrophobicContact CD2-CE2 4.32Å; L188-Y200 HydrophobicContact CG-CE2 4.39Å
189Q93.6Very high90.3Very high6 Ų631.4 Ų31.43%0.02816%0.155CC..EExtended strand (participates in β ladder)trans-88116.9169.2174.9167.183.900108.4K172 D173 Q193 S194 T196 Y197K172-Q189 HydrophobicContact CB-CG 4.42Å; K172-Q189 WeakPolarHBondContact CB-O 3.42Å; K172-Q189 HydrophobicContact CD-CG 4.4Å; K172-Q189 PolarHBondContact N-O 2.87Å; D173-Q189 HydrophobicContact CB-CB 4.38Å; D173-Q189 PolarHBondContact N-O 2.89Å; D173-Q189 PolarHBondContact O-N 2.74Å; Q189-Q193 HydrophobicContact CG-CB 4.05Å; Q189-S194 PolarHBondContact NE2-O 2.86Å; Q189-T196 PolarHBondContact NE2-O 2.56Å; Q189-Y197 HydrophobicContact CB-CD1 3.67Å; Q189-Y197 HydrophobicContact CB-CD2 4.14Å; Q189-Y197 HydrophobicContact CB-CE1 3.4Å; Q189-Y197 VanDerWaalsContact CB-CE1 3.4Å; Q189-Y197 HydrophobicContact CB-CE2 3.9Å; Q189-Y197 HydrophobicContact CB-CG 4.02Å; Q189-Y197 HydrophobicContact CG-CE2 4.43Å; Q189-Y197 VanDerWaalsContact N-CD1 3.33Å
190E91.1Very high90.4Very high21 Ų2131.5 Ų31.510%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-77.4158.5177.8-66.4-174-151.800111.2A169 L188 Y192 Q193 N198 Y200A169-E190 HydrophobicContact CB-CG 4.31Å; L188-E190 HydrophobicContact CD2-CB 4.41Å; L188-E190 HydrophobicContact CD2-CG 3.38Å; E190-Y192 HydrophobicContact CB-CD1 4.06Å; E190-Y192 HydrophobicContact CB-CE1 3.72Å; E190-Y192 PolarHBondContact O-N 3.37Å; E190-Y192 WeakPolarHBondContact OE2-CE1 3.18Å; E190-Q193 VanDerWaalsContact N-OE1 3.07Å; E190-Q193 PolarHBondContact O-N 3.49Å; E190-N198 PolarHBondContact OE1-ND2 2.89Å; E190-Y200 PolarHBondContact OE1-OH 2.94Å
191W83.9Confident90.8Very high168 Ų16829.2 Ų29.264%0.63614%0.143SC*.THydrogen-bonded Turntrans-54.8-29.4-171.868.9-86.2000115.4L170L170-W191 HydrophobicContact CB-CB 4.43Å; L170-W191 HydrophobicContact CB-CG 4.45Å; L170-W191 PolarHBondContact O-N 2.96Å; L170-W191 VanDerWaalsContact O-N 3.08Å
192Y83.9Confident91.5Very high131 Ų13127.2 Ų27.251%0.51413%0.134SC..THydrogen-bonded Turntrans-89.7-11.5-178.767.2-89.8000113.6E190E190-Y192 HydrophobicContact CB-CD1 4.06Å; E190-Y192 HydrophobicContact CB-CE1 3.72Å; E190-Y192 PolarHBondContact O-N 3.37Å; E190-Y192 WeakPolarHBondContact OE2-CE1 3.18Å
193Q85.7Confident91.7Very high8 Ų826 Ų264%0.03712%0.123CC..  trans-87.3149.5-178.1-67.5174.6-35.900111.2K172 Q189 E190 T196 N198 N215K172-Q193 PolarHBondContact NZ-O 2.8Å; Q189-Q193 HydrophobicContact CG-CB 4.05Å; E190-Q193 VanDerWaalsContact N-OE1 3.07Å; E190-Q193 PolarHBondContact O-N 3.49Å; Q193-T196 PolarHBondContact NE2-OG1 3.18Å; Q193-N198 PolarHBondContact NE2-OD1 3.26Å; Q193-N215 PolarHBondContact NE2-OD1 3.01Å
194S81.9Confident91.8Very high87 Ų8728.1 Ų28.161%0.60814%0.138SC*.SBendtrans-119.5-48.2179.654.30000112.4Q189Q189-S194 PolarHBondContact NE2-O 2.86Å
195D86.8Confident91.7Very high59 Ų5933 Ų3332%0.31616%0.161SC..SBendtrans-122.87.1-173.964.5-14.6000113.7S218 K245D195-S218 PolarHBondContact O-N 3.45Å; D195-S218 PolarHBondContact O-OG 2.85Å; D195-K245 WeakPolarHBondContact OD2-CE 3.35Å; D195-K245 IonicContact OD2-NZ 3.05Å; D195-K245 PolarHBondContact OD2-NZ 3.21Å
196T93.2Very high91.7Very high10 Ų1032.5 Ų32.56%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-122.9157175.460.90000112.5Q189 Q193 N215 V216 K245Q189-T196 PolarHBondContact NE2-O 2.56Å; Q193-T196 PolarHBondContact NE2-OG1 3.18Å; T196-N215 HydrophobicContact CG2-CB 4.27Å; T196-V216 CarbonylContact C-O 3.58Å; T196-V216 VanDerWaalsContact CA-O 3.25Å; T196-V216 WeakPolarHBondContact CA-O 3.46Å; T196-K245 HydrophobicContact CG2-CB 4.08Å; T196-K245 HydrophobicContact CG2-CD 4.48Å
197Y95.9Very high91.6Very high2 Ų233 Ų331%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-129.9148.7173.8-79.1-112.2000109.7D173 Q175 A187 Q189 N215 V216 S218 V226 I228D173-Y197 HydrophobicContact CB-CE1 4.41Å; D173-Y197 PolarHBondContact OD2-OH 2.78Å; Q175-Y197 HydrophobicContact CG-CE1 4.22Å; A187-Y197 HydrophobicContact CB-CD1 3.86Å; A187-Y197 HydrophobicContact CB-CG 4.36Å; Q189-Y197 HydrophobicContact CB-CD1 3.67Å; Q189-Y197 HydrophobicContact CB-CD2 4.14Å; Q189-Y197 HydrophobicContact CB-CE1 3.4Å; Q189-Y197 VanDerWaalsContact CB-CE1 3.4Å; Q189-Y197 HydrophobicContact CB-CE2 3.9Å; Q189-Y197 HydrophobicContact CB-CG 4.02Å; Q189-Y197 HydrophobicContact CG-CE2 4.43Å; Q189-Y197 VanDerWaalsContact N-CD1 3.33Å; Y197-N215 PolarHBondContact O-N 3.2Å; Y197-V216 PolarHBondContact N-O 3.33Å; Y197-V216 WeakPolarHBondContact O-CB 3.39Å; Y197-V216 PolarHBondContact O-N 3.33Å; Y197-S218 VanDerWaalsContact CD2-CB 3.41Å; Y197-S218 WeakPolarHBondContact CD2-OG 3.12Å; Y197-S218 WeakPolarHBondContact CE2-OG 3.23Å; Y197-V226 HydrophobicContact CE2-CG1 3.96Å; Y197-I228 HydrophobicContact CD1-CD1 3.83Å; Y197-I228 HydrophobicContact CD2-CD1 4.46Å; Y197-I228 HydrophobicContact CE1-CD1 4.16Å; Y197-I228 HydrophobicContact CG-CD1 4.01Å
198N95.7Very high91.5Very high2 Ų236.6 Ų36.61%0.01118%0.176CC..EExtended strand (participates in β ladder)trans-96.3135169.4-67.6-15000109A187 L188 E190 Q193 Y200 L211 E214 N215A187-N198 CarbonylContact C-O 3.33Å; A187-N198 WeakPolarHBondContact CA-O 3.48Å; L188-N198 PolarHBondContact N-O 3.42Å; L188-N198 PolarHBondContact O-N 2.77Å; E190-N198 PolarHBondContact OE1-ND2 2.89Å; Q193-N198 PolarHBondContact NE2-OD1 3.26Å; N198-Y200 HydrophobicContact CB-CD2 4.28Å; N198-Y200 HydrophobicContact CB-CE2 3.58Å; N198-Y200 WeakPolarHBondContact O-CD2 3.38Å; N198-L211 HydrophobicContact CB-CD1 3.93Å; N198-E214 WeakPolarHBondContact OD1-CA 3.43Å; N198-N215 PolarHBondContact OD1-N 3.42Å
199L95.8Very high91.4Very high0 Ų036.7 Ų36.70%018%0.176CC..EExtended strand (participates in β ladder)trans-90.5133.4176.1-63.4-178.8000110.4V177 L186 A187 I212 L213 V216 I230V177-L199 HydrophobicContact CG2-CD2 4.31Å; L186-L199 CarbonylContact O-C 3.53Å; L186-L199 WeakPolarHBondContact O-CA 3.37Å; A187-L199 HydrophobicContact CB-CD2 3.75Å; L199-I212 HydrophobicContact CB-CD1 4.05Å; L199-I212 HydrophobicContact CB-CG1 3.7Å; L199-I212 WeakPolarHBondContact O-CG1 3.21Å; L199-I212 PolarHBondContact O-N 2.64Å; L199-L213 HydrophobicContact CB-CB 4.17Å; L199-L213 HydrophobicContact CD1-CB 4.15Å; L199-L213 HydrophobicContact CD1-CD2 4.18Å; L199-L213 HydrophobicContact CG-CB 4.44Å; L199-L213 PolarHBondContact N-O 3.13Å; L199-L213 PolarHBondContact O-N 3.11Å; L199-V216 HydrophobicContact CD1-CG2 3.73Å; L199-V216 HydrophobicContact CG-CB 4.43Å; L199-V216 HydrophobicContact CG-CG2 3.67Å; L199-I230 HydrophobicContact CD1-CD1 3.38Å
200Y94.5Very high91.3Very high5 Ų536.8 Ų36.82%0.0218%0.177CC..EExtended strand (participates in β ladder)trans-126.4144.6-179.9-72.2-92.8000110.5P166 L186 L188 E190 N198 S210 L211P166-Y200 HydrophobicContact CG-CE1 3.72Å; L186-Y200 PolarHBondContact N-O 3.11Å; L186-Y200 PolarHBondContact O-N 3.19Å; L188-Y200 HydrophobicContact CB-CD2 3.73Å; L188-Y200 HydrophobicContact CB-CE2 3.75Å; L188-Y200 HydrophobicContact CD1-CE2 4.41Å; L188-Y200 HydrophobicContact CD2-CE2 4.32Å; L188-Y200 HydrophobicContact CG-CE2 4.39Å; E190-Y200 PolarHBondContact OE1-OH 2.94Å; N198-Y200 HydrophobicContact CB-CD2 4.28Å; N198-Y200 HydrophobicContact CB-CE2 3.58Å; N198-Y200 WeakPolarHBondContact O-CD2 3.38Å; Y200-S210 CarbonylContact C-O 3.6Å; Y200-S210 VanDerWaalsContact CA-O 3.29Å; Y200-S210 WeakPolarHBondContact CA-O 3.08Å; Y200-L211 HydrophobicContact CD1-CB 4.25Å; Y200-L211 HydrophobicContact CE1-CB 3.86Å; Y200-L211 HydrophobicContact CE1-CD1 4.14Å; Y200-L211 HydrophobicContact CE2-CD1 4.15Å
201Q93.6Very high91.4Very high3 Ų338.2 Ų38.21%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-115.3131.8175-178.6173.585.500110Y209 S210 I212 K258 I492 R535Q201-Y209 WeakPolarHBondContact O-CA 3.27Å; Q201-S210 PolarHBondContact N-O 2.93Å; Q201-S210 PolarHBondContact O-N 3.46Å; Q201-I212 HydrophobicContact CB-CD1 4.47Å; Q201-I212 HydrophobicContact CB-CG2 3.71Å; Q201-K258 PolarHBondContact NE2-O 2.82Å; Q201-I492 VanDerWaalsContact OE1-CD1 3.29Å; Q201-R535 PolarHBondContact O-NH2 3.17Å
202S94.6Very high91.8Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-82.7170.5177.376.20000113.3V184 G206 Y208 Y209V184-S202 WeakPolarHBondContact CA-OG 3.47Å; V184-S202 WeakPolarHBondContact CB-OG 3.42Å; V184-S202 PolarHBondContact N-OG 3.31Å; V184-S202 PolarHBondContact O-N 2.74Å; V184-S202 PolarHBondContact O-OG 2.64Å; S202-G206 WeakPolarHBondContact OG-CA 3.47Å; S202-Y208 CarbonylContact C-O 3.49Å; S202-Y208 VanDerWaalsContact CA-O 3.27Å; S202-Y208 WeakPolarHBondContact CA-O 3.43Å; S202-Y209 VanDerWaalsContact CB-CE1 3.46Å
203D91.7Very high92.2Very high28 Ų2825.7 Ų25.715%0.1514%0.139CC..  trans-71.3179.9155.168.2-30.1000111.4Q205 G206 V207 Y208 R535D203-Q205 PolarHBondContact O-N 3.45Å; D203-G206 PolarHBondContact O-N 2.6Å; D203-G206 VanDerWaalsContact O-N 3.07Å; D203-G206 PolarHBondContact OD1-N 2.72Å; D203-V207 PolarHBondContact OD1-N 3Å; D203-Y208 PolarHBondContact N-O 3.2Å; D203-Y208 PolarHBondContact OD1-N 3.22Å; D203-R535 VanDerWaalsContact N-NH1 3.14Å
204S91.9Very high92.6Very high50 Ų5029.9 Ų29.935%0.3516%0.159SC..THydrogen-bonded Turntrans-65.3-24.6-175.957.90000114.3Y138 S182Y138-S204 PolarHBondContact OH-O 3.37Å; S182-S204 VanDerWaalsContact O-CA 3.26Å; S182-S204 WeakPolarHBondContact O-CA 3.41Å
205Q92.2Very high93.2Very high103 Ų10327.4 Ų27.448%0.48114%0.139SC..THydrogen-bonded Turntrans-85.7-7.7176.7-62.8-169.3-33.800113.3Y155 D203 V207Y155-Q205 HydrophobicContact CD1-CB 4.48Å; Y155-Q205 HydrophobicContact CD1-CG 4.09Å; D203-Q205 PolarHBondContact O-N 3.45Å; Q205-V207 VanDerWaalsContact C-N 3.35Å; Q205-V207 HydrophobicContact CB-CG2 4.04Å
206G94.3Very high93.7Very high0 Ų024.6 Ų24.60%012%0.124CC..SBendtrans78.217.4-178.800000114V153 S202 D203 Y209V153-G206 WeakPolarHBondContact CG1-O 3.46Å; S202-G206 WeakPolarHBondContact OG-CA 3.47Å; D203-G206 PolarHBondContact O-N 2.6Å; D203-G206 VanDerWaalsContact O-N 3.07Å; D203-G206 PolarHBondContact OD1-N 2.72Å; G206-Y209 WeakPolarHBondContact O-CE2 3.33Å; G206-Y209 PolarHBondContact O-OH 3.48Å; G206-Y209 VanDerWaalsContact O-OH 3.06Å
207V93Very high93.7Very high9 Ų925.6 Ų25.66%0.05513%0.127CC..  trans-100-49.3-171.5178.50000111.4V153 V161 R164 D203 Q205 Y209V153-V207 HydrophobicContact CG1-CG2 3.96Å; V161-V207 HydrophobicContact CB-CG2 4.17Å; V161-V207 HydrophobicContact CG1-CG1 3.9Å; V161-V207 HydrophobicContact CG1-CG2 4.01Å; R164-V207 WeakPolarHBondContact CA-O 3.31Å; R164-V207 WeakPolarHBondContact CB-O 3.48Å; R164-V207 HydrophobicContact CG-CG1 4Å; R164-V207 PolarHBondContact N-O 3.23Å; D203-V207 PolarHBondContact OD1-N 3Å; Q205-V207 VanDerWaalsContact C-N 3.35Å; Q205-V207 HydrophobicContact CB-CG2 4.04Å; V207-Y209 WeakPolarHBondContact O-CD2 3.48Å
208Y92.4Very high93.4Very high77 Ų7726.2 Ų26.230%0.30213%0.131SC..BIsolated β-bridgetrans-104.5113.1-170.6-66.9-77.3000111.6R164 S202 D203 Y495 R535R164-Y208 HydrophobicContact CB-CD1 3.98Å; R164-Y208 HydrophobicContact CB-CE1 4.32Å; R164-Y208 HydrophobicContact CG-CD1 4.21Å; R164-Y208 HydrophobicContact CG-CE1 4.09Å; S202-Y208 CarbonylContact C-O 3.49Å; S202-Y208 VanDerWaalsContact CA-O 3.27Å; S202-Y208 WeakPolarHBondContact CA-O 3.43Å; D203-Y208 PolarHBondContact N-O 3.2Å; D203-Y208 PolarHBondContact OD1-N 3.22Å; Y208-Y495 AromaticContact CD1-CD1 3.84Å; Y208-Y495 HydrophobicContact CD1-CD1 3.84Å; Y208-Y495 HydrophobicContact CD1-CD2 4.26Å; Y208-Y495 HydrophobicContact CD1-CE1 4.27Å; Y208-Y495 AromaticContact CD1-CG 3.83Å; Y208-Y495 HydrophobicContact CD1-CG 3.83Å; Y208-Y495 HydrophobicContact CE1-CD1 4.35Å; Y208-R535 PolarHBondContact O-NH1 2.8Å
209Y94Very high92.9Very high1 Ų127.8 Ų27.80%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-102.9132.7-173.3-72.4-89.8000112.8M163 R164 F165 V184 L186 Q201 S202 G206 V207 Y495M163-Y209 HydrophobicContact CB-CE2 4.06Å; M163-Y209 HydrophobicContact CE-CE2 3.55Å; M163-Y209 VanDerWaalsContact CE-CZ 3.47Å; M163-Y209 WeakPolarHBondContact CE-OH 3.24Å; M163-Y209 HydrophobicContact CG-CE2 4.27Å; R164-Y209 PolarHBondContact O-N 2.84Å; F165-Y209 AromaticContact CD1-CD2 3.85Å; F165-Y209 HydrophobicContact CD1-CD2 3.85Å; F165-Y209 AromaticContact CD1-CG 3.95Å; F165-Y209 HydrophobicContact CD1-CG 3.95Å; F165-Y209 HydrophobicContact CE1-CD1 4.46Å; F165-Y209 AromaticContact CE1-CD2 3.65Å; F165-Y209 HydrophobicContact CE1-CD2 3.65Å; F165-Y209 AromaticContact CE1-CE2 3.97Å; F165-Y209 HydrophobicContact CE1-CE2 3.97Å; F165-Y209 AromaticContact CE1-CG 3.93Å; F165-Y209 HydrophobicContact CE1-CG 3.93Å; V184-Y209 HydrophobicContact CB-CE1 4.24Å; V184-Y209 WeakPolarHBondContact CB-OH 3.5Å; V184-Y209 HydrophobicContact CG1-CE1 4.32Å; V184-Y209 WeakPolarHBondContact CG1-OH 3.43Å; L186-Y209 HydrophobicContact CB-CD1 4.09Å; L186-Y209 HydrophobicContact CB-CE1 3.59Å; L186-Y209 HydrophobicContact CD1-CD1 4.46Å; L186-Y209 HydrophobicContact CD1-CE1 3.77Å; L186-Y209 HydrophobicContact CG-CE1 4.2Å; Q201-Y209 WeakPolarHBondContact O-CA 3.27Å; S202-Y209 VanDerWaalsContact CB-CE1 3.46Å; G206-Y209 WeakPolarHBondContact O-CE2 3.33Å; G206-Y209 PolarHBondContact O-OH 3.48Å; G206-Y209 VanDerWaalsContact O-OH 3.06Å; V207-Y209 WeakPolarHBondContact O-CD2 3.48Å; Y209-Y495 WeakPolarHBondContact O-CD2 3.2Å
210S92.3Very high92Very high8 Ų835.3 Ų35.36%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-116.6142.4171.868.30000110.5Y200 Q201 R535Y200-S210 CarbonylContact C-O 3.6Å; Y200-S210 VanDerWaalsContact CA-O 3.29Å; Y200-S210 WeakPolarHBondContact CA-O 3.08Å; Q201-S210 PolarHBondContact N-O 2.93Å; Q201-S210 PolarHBondContact O-N 3.46Å; S210-R535 PolarHBondContact OG-NH2 3.14Å
211L91.6Very high90.8Very high52 Ų5237 Ų3727%0.27218%0.182SC..EExtended strand (participates in β ladder)trans-63.9138.9176.9-178.767.8000110.6N198 Y200 E214N198-L211 HydrophobicContact CB-CD1 3.93Å; Y200-L211 HydrophobicContact CD1-CB 4.25Å; Y200-L211 HydrophobicContact CE1-CB 3.86Å; Y200-L211 HydrophobicContact CE1-CD1 4.14Å; Y200-L211 HydrophobicContact CE2-CD1 4.15Å; L211-E214 HydrophobicContact CD1-CG 4.17Å; L211-E214 HydrophobicContact CD2-CG 3.82Å; L211-E214 HydrophobicContact CG-CG 4.39Å
212I92.1Very high89.3Confident23 Ų2342.9 Ų42.912%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-128.8-25.9176.861.8158.4000114.1L185 L199 Q201 G259 W262L185-I212 HydrophobicContact CD1-CD1 3.41Å; L185-I212 VanDerWaalsContact CD1-CD1 3.41Å; L185-I212 HydrophobicContact CD1-CG1 4.48Å; L199-I212 HydrophobicContact CB-CD1 4.05Å; L199-I212 HydrophobicContact CB-CG1 3.7Å; L199-I212 WeakPolarHBondContact O-CG1 3.21Å; L199-I212 PolarHBondContact O-N 2.64Å; Q201-I212 HydrophobicContact CB-CD1 4.47Å; Q201-I212 HydrophobicContact CB-CG2 3.71Å; I212-G259 WeakPolarHBondContact CB-O 3.46Å; I212-W262 PolarHBondContact O-NE1 2.82Å
213L94.2Very high87.5Confident12 Ų1250 Ų506%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-157.7132.3175.1-174.461.8000110.5L199 V216 A242 L253 W262L199-L213 HydrophobicContact CB-CB 4.17Å; L199-L213 HydrophobicContact CD1-CB 4.15Å; L199-L213 HydrophobicContact CD1-CD2 4.18Å; L199-L213 HydrophobicContact CG-CB 4.44Å; L199-L213 PolarHBondContact N-O 3.13Å; L199-L213 PolarHBondContact O-N 3.11Å; L213-V216 HydrophobicContact CB-CG2 4.39Å; L213-V216 HydrophobicContact CD2-CG2 3.55Å; L213-V216 HydrophobicContact CG-CG2 3.86Å; L213-A242 HydrophobicContact CD2-CB 3.6Å; L213-L253 HydrophobicContact CD1-CD1 4.02Å; L213-W262 HydrophobicContact CB-CZ2 4.08Å; L213-W262 HydrophobicContact CD1-CD2 4.18Å; L213-W262 HydrophobicContact CD1-CG 3.99Å; L213-W262 HydrophobicContact CD2-CD2 3.95Å; L213-W262 HydrophobicContact CD2-CE3 4.1Å; L213-W262 HydrophobicContact CD2-CH2 3.94Å; L213-W262 HydrophobicContact CD2-CZ2 3.78Å; L213-W262 HydrophobicContact CD2-CZ3 4.11Å; L213-W262 HydrophobicContact CG-CD2 4.5Å; L213-W262 HydrophobicContact CG-CZ2 4.48Å
214E93.5Very high85.8Confident96 Ų9657.4 Ų57.445%0.44929%0.287SS..EExtended strand (participates in β ladder)trans-93.4155.4177.2-62.5-173.8154.200112.6N198 L211 V216 Q244N198-E214 WeakPolarHBondContact OD1-CA 3.43Å; L211-E214 HydrophobicContact CD1-CG 4.17Å; L211-E214 HydrophobicContact CD2-CG 3.82Å; L211-E214 HydrophobicContact CG-CG 4.39Å; E214-V216 PolarHBondContact O-N 2.95Å; E214-Q244 WeakPolarHBondContact O-CG 3.42Å; E214-Q244 PolarHBondContact O-NE2 2.75Å
215N95.1Very high84.7Confident36 Ų3657.5 Ų57.519%0.19329%0.288CS..EExtended strand (participates in β ladder)trans56.840.9165.5-59.4-55.8000114.9Q193 T196 Y197 N198 Q244 K245 I246Q193-N215 PolarHBondContact NE2-OD1 3.01Å; T196-N215 HydrophobicContact CG2-CB 4.27Å; Y197-N215 PolarHBondContact O-N 3.2Å; N198-N215 PolarHBondContact OD1-N 3.42Å; N215-Q244 HydrophobicContact CB-CG 4.39Å; N215-Q244 CarbonylContact O-C 3.56Å; N215-Q244 WeakPolarHBondContact O-CA 3.31Å; N215-K245 WeakPolarHBondContact CB-O 3.43Å; N215-K245 PolarHBondContact O-N 3.14Å; N215-I246 HydrophobicContact CB-CG1 4.39Å
216V96.1Very high84.3Confident0 Ų054.2 Ų54.20%028%0.275CS..EExtended strand (participates in β ladder)trans-68.4133.2172.7-178.40000109.8T196 Y197 L199 L213 E214 S218 I228 N243T196-V216 CarbonylContact C-O 3.58Å; T196-V216 VanDerWaalsContact CA-O 3.25Å; T196-V216 WeakPolarHBondContact CA-O 3.46Å; Y197-V216 PolarHBondContact N-O 3.33Å; Y197-V216 WeakPolarHBondContact O-CB 3.39Å; Y197-V216 PolarHBondContact O-N 3.33Å; L199-V216 HydrophobicContact CD1-CG2 3.73Å; L199-V216 HydrophobicContact CG-CB 4.43Å; L199-V216 HydrophobicContact CG-CG2 3.67Å; L213-V216 HydrophobicContact CB-CG2 4.39Å; L213-V216 HydrophobicContact CD2-CG2 3.55Å; L213-V216 HydrophobicContact CG-CG2 3.86Å; E214-V216 PolarHBondContact O-N 2.95Å; V216-S218 PolarHBondContact O-N 3.17Å; V216-I228 HydrophobicContact CG1-CG2 3.8Å; V216-N243 WeakPolarHBondContact CA-O 3.29Å
217R93.1Very high83.9Confident30 Ų3055.1 Ų55.111%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-59.9135.1-179.2-177.4-174.4179.616910.8110.6D229 N243 K245 D294R217-D229 HydrophobicContact CB-CB 4.1Å; R217-D229 PolarHBondContact O-N 2.83Å; R217-N243 HydrophobicContact CB-CB 4.47Å; R217-N243 WeakPolarHBondContact CB-O 3.35Å; R217-N243 PolarHBondContact N-O 3.27Å; R217-K245 HydrophobicContact CB-CB 4.42Å; R217-D294 IonicContact CZ-OD1 2.84Å; R217-D294 IonicContact CZ-OD2 3.88Å; R217-D294 VanDerWaalsContact CZ-OD2 3.32Å; R217-D294 IonicContact NH1-OD1 3.69Å; R217-D294 IonicContact NH1-OD2 3.99Å; R217-D294 PolarHBondContact NH1-OD2 2.92Å; R217-D294 IonicContact NH2-OD1 3.67Å; R217-D294 PolarHBondContact NH2-OD1 2.94Å; R217-D294 IonicContact NH2-OD2 2.86Å; R217-D294 PolarHBondContact NH2-OD2 3Å
218S90.6Very high83.9Confident16 Ų1655.2 Ų55.211%0.11228%0.28CS..EExtended strand (participates in β ladder)trans-129.8155.1170.370.60000111.8D195 Y197 V216 L227D195-S218 PolarHBondContact O-N 3.45Å; D195-S218 PolarHBondContact O-OG 2.85Å; Y197-S218 VanDerWaalsContact CD2-CB 3.41Å; Y197-S218 WeakPolarHBondContact CD2-OG 3.12Å; Y197-S218 WeakPolarHBondContact CE2-OG 3.23Å; V216-S218 PolarHBondContact O-N 3.17Å; S218-L227 VanDerWaalsContact CA-O 3.31Å; S218-L227 WeakPolarHBondContact CA-O 3.4Å
219T83.7Confident83.8Confident35 Ų3551.8 Ų51.822%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-140.7148172.5-169.60000110L227 W292T219-L227 HydrophobicContact CG2-CB 4.01Å; T219-L227 HydrophobicContact CG2-CD2 4.21Å; T219-L227 PolarHBondContact N-O 2.85Å; T219-L227 PolarHBondContact O-N 3.47Å; T219-W292 HydrophobicContact CG2-CD2 3.66Å; T219-W292 HydrophobicContact CG2-CE3 3.68Å; T219-W292 HydrophobicContact CG2-CG 4.14Å; T219-W292 HydrophobicContact CG2-CH2 4.31Å; T219-W292 HydrophobicContact CG2-CZ2 4.3Å; T219-W292 HydrophobicContact CG2-CZ3 4.03Å
220K77.7Confident83.8Confident158 Ų15852 Ų5269%0.68727%0.268SS*.EExtended strand (participates in β ladder)trans-96.5121175.3-69-171.2176.6-170.70108.8V226K220-V226 HydrophobicContact CG-CG2 4.46Å
221Q70Confident83.8Confident40 Ų4052.9 Ų52.919%0.18727%0.272CS..  trans-83.8158.9173.6-61.4-169.1-14.400110.6E223 E224 S225 W292Q221-E223 PolarHBondContact O-N 3.25Å; Q221-E223 VanDerWaalsContact O-N 3.09Å; Q221-E224 PolarHBondContact O-N 3.33Å; Q221-S225 PolarHBondContact N-O 3.01Å; Q221-S225 PolarHBondContact OE1-OG 3.28Å; Q221-W292 HydrophobicContact CG-CZ3 3.89Å; Q221-W292 VanDerWaalsContact NE2-CZ3 3.33Å
222P61Low83.9Confident127 Ų12752.9 Ų52.983%0.82527%0.27SS*.THydrogen-bonded Turntrans-57.7-22.4-177.4-25.534.7000115.1E224P222-E224 PolarHBondContact O-N 2.93Å
223E58.3Low83.9Confident149 Ų14951.8 Ų51.870%0.69627%0.265SS*.THydrogen-bonded Turntrans-94.528-178.4-66.7-177.2160.300113.8Q221 S225Q221-E223 PolarHBondContact O-N 3.25Å; Q221-E223 VanDerWaalsContact O-N 3.09Å; E223-S225 PolarHBondContact O-N 2.99Å
224E54.9Low83.6Confident183 Ų18359.3 Ų59.386%0.85529%0.292SS*.SBendtrans62.51.8-179.5-56.1-172.3163.800115.9Q221 P222 V226Q221-E224 PolarHBondContact O-N 3.33Å; P222-E224 PolarHBondContact O-N 2.93Å; E224-V226 PolarHBondContact O-N 2.77Å
225S68.6Low83.3Confident53 Ų5355.3 Ų55.337%0.37128%0.277SS..PPolyproline II helixtrans-77.6120.4172.8620000110.5Q221 E223Q221-S225 PolarHBondContact N-O 3.01Å; Q221-S225 PolarHBondContact OE1-OG 3.28Å; E223-S225 PolarHBondContact O-N 2.99Å
226V83.9Confident83Confident33 Ų3353.8 Ų53.820%0.227%0.269CS..EExtended strand (participates in β ladder)trans-80.7122.1170.5-179.40000107.8Y197 K220 E224 I228Y197-V226 HydrophobicContact CE2-CG1 3.96Å; K220-V226 HydrophobicContact CG-CG2 4.46Å; E224-V226 PolarHBondContact O-N 2.77Å; V226-I228 HydrophobicContact CG1-CG1 4.3Å
227L86.8Confident82.6Confident19 Ų1958.3 Ų58.310%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-99.6128.1174-171.692.8000109.5S218 T219 R291 W292S218-L227 VanDerWaalsContact CA-O 3.31Å; S218-L227 WeakPolarHBondContact CA-O 3.4Å; T219-L227 HydrophobicContact CG2-CB 4.01Å; T219-L227 HydrophobicContact CG2-CD2 4.21Å; T219-L227 PolarHBondContact N-O 2.85Å; T219-L227 PolarHBondContact O-N 3.47Å; L227-R291 HydrophobicContact CD1-CB 4.42Å; L227-R291 HydrophobicContact CD2-CB 3.97Å; L227-R291 WeakPolarHBondContact CD2-O 3.39Å; L227-R291 HydrophobicContact CG-CB 4.47Å; L227-W292 HydrophobicContact CD2-CB 3.91Å; L227-W292 HydrophobicContact CD2-CE3 3.99Å
228I91.4Very high82.2Confident12 Ų1257 Ų576%0.06228%0.284CS..EExtended strand (participates in β ladder)trans-109.4129.4177.5-53-176.6000108.2Q175 A187 Y197 V216 V226 I230Q175-I228 HydrophobicContact CB-CD1 3.75Å; Q175-I228 HydrophobicContact CG-CD1 4.08Å; A187-I228 HydrophobicContact CB-CD1 3.18Å; A187-I228 HydrophobicContact CB-CG2 4.42Å; Y197-I228 HydrophobicContact CD1-CD1 3.83Å; Y197-I228 HydrophobicContact CD2-CD1 4.46Å; Y197-I228 HydrophobicContact CE1-CD1 4.16Å; Y197-I228 HydrophobicContact CG-CD1 4.01Å; V216-I228 HydrophobicContact CG1-CG2 3.8Å; V226-I228 HydrophobicContact CG1-CG1 4.3Å; I228-I230 HydrophobicContact CB-CG2 4.43Å; I228-I230 HydrophobicContact CG2-CG2 4.02Å; I228-I230 PolarHBondContact O-N 3.38Å
229D92.2Very high82.3Confident4 Ų456.2 Ų56.22%0.02128%0.279CS..  trans-8564.4-168.1-151.420.4000111.9R217 A242 N243 L290 R291R217-D229 HydrophobicContact CB-CB 4.1Å; R217-D229 PolarHBondContact O-N 2.83Å; D229-A242 WeakPolarHBondContact O-CA 3.26Å; D229-N243 HydrophobicContact CB-CB 4.12Å; D229-N243 PolarHBondContact O-N 2.87Å; D229-N243 VanDerWaalsContact OD2-CB 3.27Å; D229-N243 WeakPolarHBondContact OD2-CB 3.33Å; D229-N243 PolarHBondContact OD2-ND2 3.49Å; D229-L290 WeakPolarHBondContact OD1-CB 3.49Å; D229-R291 PolarHBondContact OD1-N 2.81Å
230I93.3Very high82.8Confident6 Ų655.1 Ų55.13%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-128.6140.6175.6177.2160.8000110V177 L185 L199 I228 F240 L241 A242 W262 R291V177-I230 HydrophobicContact CG1-CG2 3.6Å; V177-I230 HydrophobicContact CG2-CG2 4.42Å; L185-I230 HydrophobicContact CD2-CD1 3.9Å; L199-I230 HydrophobicContact CD1-CD1 3.38Å; I228-I230 HydrophobicContact CB-CG2 4.43Å; I228-I230 HydrophobicContact CG2-CG2 4.02Å; I228-I230 PolarHBondContact O-N 3.38Å; I230-F240 HydrophobicContact CD1-CD1 4.09Å; I230-F240 HydrophobicContact CG1-CD1 4.27Å; I230-L241 CarbonylContact C-O 3.54Å; I230-L241 WeakPolarHBondContact CA-O 3.36Å; I230-A242 HydrophobicContact CB-CB 4.41Å; I230-A242 HydrophobicContact CG1-CB 4.45Å; I230-W262 HydrophobicContact CD1-CH2 4.46Å; I230-R291 VanDerWaalsContact O-CD 3.24Å; I230-R291 WeakPolarHBondContact O-CD 2.97Å
231L92.8Very high83.7Confident27 Ų2747.6 Ų47.614%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-133.4128.4-179.9-178.469000111.1F240 L241 V302L231-F240 CarbonylContact O-C 3.56Å; L231-F240 WeakPolarHBondContact O-CA 3.35Å; L231-L241 HydrophobicContact CD2-CD1 4.49Å; L231-L241 PolarHBondContact N-O 3.41Å; L231-L241 PolarHBondContact O-N 3.17Å; L231-V302 HydrophobicContact CD2-CB 3.58Å; L231-V302 HydrophobicContact CD2-CG1 3.54Å
232E92.1Very high85Confident51 Ų5145.7 Ų45.724%0.23823%0.229CC..EExtended strand (participates in β ladder)trans-83.5130.4168-173.9172.3179.800110.8R234 F240E232-R234 PolarHBondContact O-N 3.18Å; E232-F240 HydrophobicContact CB-CD1 3.88Å; E232-F240 HydrophobicContact CB-CE1 3.56Å; E232-F240 HydrophobicContact CB-CZ 4.22Å; E232-F240 HydrophobicContact CG-CD1 4.23Å; E232-F240 HydrophobicContact CG-CE1 3.67Å; E232-F240 HydrophobicContact CG-CE2 4.46Å; E232-F240 HydrophobicContact CG-CZ 3.79Å
233V92.8Very high86.6Confident1 Ų139.6 Ų39.61%0.00619%0.19CC..  trans-79.9100.7176.1-179.60000109.2G235 V236 V239 L241 T304 I312V233-G235 PolarHBondContact O-N 3.19Å; V233-G235 VanDerWaalsContact O-N 3.11Å; V233-V236 CarbonylContact O-C 3.52Å; V233-V236 PolarHBondContact O-N 3.04Å; V233-V236 VanDerWaalsContact O-N 3.13Å; V233-V236 VanDerWaalsContact O-O 3.13Å; V233-V239 HydrophobicContact CB-CB 4Å; V233-V239 HydrophobicContact CB-CG1 4.09Å; V233-V239 HydrophobicContact CG2-CB 4.16Å; V233-V239 HydrophobicContact CG2-CG1 3.71Å; V233-V239 PolarHBondContact N-O 2.82Å; V233-L241 HydrophobicContact CG2-CD1 3.36Å; V233-T304 HydrophobicContact CG1-CG2 4.25Å; V233-I312 HydrophobicContact CG1-CD1 3.95Å; V233-I312 HydrophobicContact CG1-CG1 4.07Å; V233-I312 HydrophobicContact CG2-CD1 3.91Å
234R88.6Confident88.4Confident169 Ų16934 Ų3464%0.63816%0.164SC*.THydrogen-bonded Turntrans-58.2-31.4-174.4-62.8-173.1-179.1-172.31.4114.2E232 V236 T304 D306E232-R234 PolarHBondContact O-N 3.18Å; R234-V236 VanDerWaalsContact C-N 3.35Å; R234-V236 PolarHBondContact O-N 2.92Å; R234-T304 PolarHBondContact N-OG1 3.45Å; R234-D306 HydrophobicContact CB-CB 4.2Å; R234-D306 WeakPolarHBondContact O-CA 3.34Å
235G85.8Confident90.3Very high13 Ų1328 Ų2813%0.13414%0.135CC..THydrogen-bonded Turntrans-68.6-28.4-179.200000114.3V233 K305 P309V233-G235 PolarHBondContact O-N 3.19Å; V233-G235 VanDerWaalsContact O-N 3.11Å; G235-K305 VanDerWaalsContact CA-O 3.31Å; G235-K305 WeakPolarHBondContact CA-O 3.27Å; G235-K305 PolarHBondContact N-O 2.73Å; G235-P309 WeakPolarHBondContact O-CB 3.3Å
236V89.6Confident91.5Very high3 Ų329.1 Ų29.12%0.01814%0.136CC..SBendtrans-138.7102.3-178.4-175.20000109.3V233 R234 G238 V239 P309 L444 F460V233-V236 CarbonylContact O-C 3.52Å; V233-V236 PolarHBondContact O-N 3.04Å; V233-V236 VanDerWaalsContact O-N 3.13Å; V233-V236 VanDerWaalsContact O-O 3.13Å; R234-V236 VanDerWaalsContact C-N 3.35Å; R234-V236 PolarHBondContact O-N 2.92Å; V236-G238 PolarHBondContact O-N 3.15Å; V236-V239 HydrophobicContact CB-CG2 4.05Å; V236-V239 HydrophobicContact CG1-CG2 3.81Å; V236-V239 PolarHBondContact O-N 3.28Å; V236-P309 HydrophobicContact CG2-CB 4.25Å; V236-L444 HydrophobicContact CG1-CD2 3.72Å; V236-F460 HydrophobicContact CG2-CZ 4.38Å
237K86.7Confident91.8Very high96 Ų9635.2 Ų35.242%0.41717%0.168SC..THydrogen-bonded Turntrans-56.3133.9177.7-63.8-161.5165.9-135.80112.3D180 E181 R458D180-K237 IonicContact OD1-NZ 3.97Å; D180-K237 PolarHBondContact OD1-NZ 2.96Å; D180-K237 IonicContact OD2-NZ 2.83Å; D180-K237 PolarHBondContact OD2-NZ 3.11Å; E181-K237 HydrophobicContact CG-CD 4.46Å; E181-K237 WeakPolarHBondContact OE1-CB 3.23Å; E181-K237 VanDerWaalsContact OE1-CD 3.26Å; E181-K237 WeakPolarHBondContact OE1-CD 3.39Å; K237-R458 PolarHBondContact O-NH1 3.14Å; K237-R458 VanDerWaalsContact O-NH1 3.07Å
238G85.8Confident91.9Very high1 Ų136.7 Ų36.71%0.0119%0.187CC..THydrogen-bonded Turntrans96.9-5.7-177.700000114.8V236 K258V236-G238 PolarHBondContact O-N 3.15Å; G238-K258 WeakPolarHBondContact O-CA 3.39Å; G238-K258 PolarHBondContact O-N 2.8Å
239V93.1Very high92Very high0 Ų041.6 Ų41.60%021%0.208CC..  trans-98.7127.1178.3-176.30000110.5V233 V236 I254 T255 F256V233-V239 HydrophobicContact CB-CB 4Å; V233-V239 HydrophobicContact CB-CG1 4.09Å; V233-V239 HydrophobicContact CG2-CB 4.16Å; V233-V239 HydrophobicContact CG2-CG1 3.71Å; V233-V239 PolarHBondContact N-O 2.82Å; V236-V239 HydrophobicContact CB-CG2 4.05Å; V236-V239 HydrophobicContact CG1-CG2 3.81Å; V236-V239 PolarHBondContact O-N 3.28Å; V239-I254 HydrophobicContact CG1-CD1 4.04Å; V239-I254 HydrophobicContact CG1-CG1 4.08Å; V239-T255 VanDerWaalsContact CA-O 3.24Å; V239-T255 WeakPolarHBondContact CA-O 3.38Å; V239-T255 WeakPolarHBondContact CG1-O 3.16Å; V239-F256 HydrophobicContact CG1-CD1 4.29Å; V239-F256 HydrophobicContact CG1-CE1 4.34Å; V239-F256 HydrophobicContact CG2-CD1 3.83Å; V239-F256 HydrophobicContact CG2-CE1 4.43Å
240F94.4Very high92.1Very high12 Ų1242.1 Ų42.15%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-130147.8178.7-65.5-101.7000111L185 I230 L231 E232 I254 T255 K258 W262L185-F240 HydrophobicContact CD2-CD1 4.26Å; L185-F240 HydrophobicContact CD2-CE1 3.81Å; L185-F240 HydrophobicContact CD2-CZ 4.36Å; I230-F240 HydrophobicContact CD1-CD1 4.09Å; I230-F240 HydrophobicContact CG1-CD1 4.27Å; L231-F240 CarbonylContact O-C 3.56Å; L231-F240 WeakPolarHBondContact O-CA 3.35Å; E232-F240 HydrophobicContact CB-CD1 3.88Å; E232-F240 HydrophobicContact CB-CE1 3.56Å; E232-F240 HydrophobicContact CB-CZ 4.22Å; E232-F240 HydrophobicContact CG-CD1 4.23Å; E232-F240 HydrophobicContact CG-CE1 3.67Å; E232-F240 HydrophobicContact CG-CE2 4.46Å; E232-F240 HydrophobicContact CG-CZ 3.79Å; F240-I254 WeakPolarHBondContact O-CA 3.12Å; F240-T255 HydrophobicContact CB-CG2 3.67Å; F240-T255 HydrophobicContact CD2-CG2 4.36Å; F240-T255 HydrophobicContact CG-CG2 4.48Å; F240-T255 PolarHBondContact N-O 2.83Å; F240-T255 VanDerWaalsContact N-O 3.1Å; F240-T255 PolarHBondContact O-N 2.64Å; F240-K258 HydrophobicContact CE2-CG 3.91Å; F240-W262 HydrophobicContact CB-CH2 4.01Å; F240-W262 HydrophobicContact CB-CZ3 4.39Å
241L96.1Very high92.2Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-111.1142164.4-60.6102.9000109.4I230 L231 V233 L253 I254 L265 L288 L290I230-L241 CarbonylContact C-O 3.54Å; I230-L241 WeakPolarHBondContact CA-O 3.36Å; L231-L241 HydrophobicContact CD2-CD1 4.49Å; L231-L241 PolarHBondContact N-O 3.41Å; L231-L241 PolarHBondContact O-N 3.17Å; V233-L241 HydrophobicContact CG2-CD1 3.36Å; L241-L253 CarbonylContact C-O 3.49Å; L241-L253 VanDerWaalsContact CA-O 3.28Å; L241-L253 WeakPolarHBondContact CA-O 3.28Å; L241-I254 HydrophobicContact CG-CD1 4.5Å; L241-I254 HydrophobicContact CG-CG1 4.36Å; L241-L265 HydrophobicContact CD2-CD1 4.36Å; L241-L265 HydrophobicContact CD2-CD2 4.4Å; L241-L288 HydrophobicContact CD2-CD1 4.23Å; L241-L290 HydrophobicContact CB-CD1 3.93Å; L241-L290 HydrophobicContact CB-CD2 3.83Å; L241-L290 HydrophobicContact CD2-CD2 4.21Å
242A96.6Very high92.4Very high0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-143.3146.4174.600000111.1L213 D229 I230 L253 W262L213-A242 HydrophobicContact CD2-CB 3.6Å; D229-A242 WeakPolarHBondContact O-CA 3.26Å; I230-A242 HydrophobicContact CB-CB 4.41Å; I230-A242 HydrophobicContact CG1-CB 4.45Å; A242-L253 PolarHBondContact N-O 2.85Å; A242-L253 PolarHBondContact O-N 2.83Å; A242-W262 HydrophobicContact CB-CE3 4.42Å; A242-W262 HydrophobicContact CB-CH2 3.76Å; A242-W262 HydrophobicContact CB-CZ3 3.57Å
243N95.5Very high92.6Very high0 Ų040.4 Ų40.40%021%0.205CC..EExtended strand (participates in β ladder)trans-99.5114.8172.7-81-20.6000109.9V216 R217 D229 V250 T251 T252 L288 L290V216-N243 WeakPolarHBondContact CA-O 3.29Å; R217-N243 HydrophobicContact CB-CB 4.47Å; R217-N243 WeakPolarHBondContact CB-O 3.35Å; R217-N243 PolarHBondContact N-O 3.27Å; D229-N243 HydrophobicContact CB-CB 4.12Å; D229-N243 PolarHBondContact O-N 2.87Å; D229-N243 VanDerWaalsContact OD2-CB 3.27Å; D229-N243 WeakPolarHBondContact OD2-CB 3.33Å; D229-N243 PolarHBondContact OD2-ND2 3.49Å; N243-V250 HydrophobicContact CB-CG1 3.93Å; N243-T251 CarbonylContact C-O 3.58Å; N243-T251 WeakPolarHBondContact CA-O 3.34Å; N243-T252 VanDerWaalsContact OD1-CA 3.29Å; N243-T252 WeakPolarHBondContact OD1-CA 3.48Å; N243-T252 VanDerWaalsContact OD1-CB 3.26Å; N243-T252 WeakPolarHBondContact OD1-CB 3.06Å; N243-T252 WeakPolarHBondContact OD1-CG2 3.14Å; N243-T252 PolarHBondContact OD1-OG1 2.77Å; N243-L288 PolarHBondContact ND2-O 3.04Å; N243-L288 PolarHBondContact OD1-O 3Å; N243-L290 HydrophobicContact CB-CD1 4.4Å
244Q95.9Very high92.8Very high31 Ų3140.3 Ų40.315%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-93.3139.9177.3-177.117658.900110.1E214 N215 I246 V250 T251 L253E214-Q244 WeakPolarHBondContact O-CG 3.42Å; E214-Q244 PolarHBondContact O-NE2 2.75Å; N215-Q244 HydrophobicContact CB-CG 4.39Å; N215-Q244 CarbonylContact O-C 3.56Å; N215-Q244 WeakPolarHBondContact O-CA 3.31Å; Q244-I246 VanDerWaalsContact CD-CD1 3.46Å; Q244-I246 HydrophobicContact CG-CD1 3.95Å; Q244-I246 HydrophobicContact CG-CG1 4Å; Q244-V250 CarbonylContact O-C 3.55Å; Q244-V250 VanDerWaalsContact O-CA 3.24Å; Q244-V250 WeakPolarHBondContact O-CA 3.44Å; Q244-T251 PolarHBondContact N-O 3.46Å; Q244-T251 PolarHBondContact O-N 2.81Å; Q244-L253 HydrophobicContact CB-CD1 4.16Å
245K94.9Very high93.1Very high57 Ų5732.3 Ų32.325%0.24818%0.175CC..EExtended strand (participates in β ladder)trans-119.1107.7178.5-173.8179.3-176177.30110.7D195 T196 N215 R217 K249 V250D195-K245 WeakPolarHBondContact OD2-CE 3.35Å; D195-K245 IonicContact OD2-NZ 3.05Å; D195-K245 PolarHBondContact OD2-NZ 3.21Å; T196-K245 HydrophobicContact CG2-CB 4.08Å; T196-K245 HydrophobicContact CG2-CD 4.48Å; N215-K245 WeakPolarHBondContact CB-O 3.43Å; N215-K245 PolarHBondContact O-N 3.14Å; R217-K245 HydrophobicContact CB-CB 4.42Å; K245-K249 WeakPolarHBondContact CA-O 3.47Å; K245-V250 HydrophobicContact CB-CG2 4.33Å; K245-V250 HydrophobicContact CD-CG2 4.46Å; K245-V250 HydrophobicContact CG-CG2 4.12Å
246I93.4Very high93.4Very high77 Ų7732.2 Ų32.240%0.39517%0.17SC..EExtended strand (participates in β ladder)trans-126.1130.1176.7-63.5169.1000108.6N215 Q244 G248 K249N215-I246 HydrophobicContact CB-CG1 4.39Å; Q244-I246 VanDerWaalsContact CD-CD1 3.46Å; Q244-I246 HydrophobicContact CG-CD1 3.95Å; Q244-I246 HydrophobicContact CG-CG1 4Å; I246-G248 PolarHBondContact O-N 2.87Å; I246-G248 VanDerWaalsContact O-N 3.08Å; I246-K249 PolarHBondContact N-O 3.39Å; I246-K249 WeakPolarHBondContact O-CB 3.45Å; I246-K249 PolarHBondContact O-N 2.96Å
247D90.2Very high93.4Very high161 Ų16133.1 Ų33.186%0.86118%0.175SC*.THydrogen-bonded Turntrans49.836.3180-59-32.3000114.1K249D247-K249 PolarHBondContact O-N 3.08Å
248G88.8Confident93.4Very high50 Ų5029 Ų2952%0.51516%0.157SC..THydrogen-bonded Turntrans73.35.3-177.700000115.2I246I246-G248 PolarHBondContact O-N 2.87Å; I246-G248 VanDerWaalsContact O-N 3.08Å
249K92.9Very high93.5Very high115 Ų11529 Ų2950%0.516%0.157SC..EExtended strand (participates in β ladder)trans-95126.8170.3-60.6-179.5-176.2171.80109.2K245 I246 D247 K321K245-K249 WeakPolarHBondContact CA-O 3.47Å; I246-K249 PolarHBondContact N-O 3.39Å; I246-K249 WeakPolarHBondContact O-CB 3.45Å; I246-K249 PolarHBondContact O-N 2.96Å; D247-K249 PolarHBondContact O-N 3.08Å; K249-K321 HydrophobicContact CB-CB 4.17Å; K249-K321 HydrophobicContact CG-CD 4.32Å
250V94.4Very high93.3Very high15 Ų1529.9 Ų29.99%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-98.7121.7174.3-179.90000108.8N243 Q244 K245 K321 L322N243-V250 HydrophobicContact CB-CG1 3.93Å; Q244-V250 CarbonylContact O-C 3.55Å; Q244-V250 VanDerWaalsContact O-CA 3.24Å; Q244-V250 WeakPolarHBondContact O-CA 3.44Å; K245-V250 HydrophobicContact CB-CG2 4.33Å; K245-V250 HydrophobicContact CD-CG2 4.46Å; K245-V250 HydrophobicContact CG-CG2 4.12Å; V250-K321 CarbonylContact O-C 3.3Å; V250-K321 VanDerWaalsContact O-CA 3.28Å; V250-K321 WeakPolarHBondContact O-CA 3.2Å; V250-L322 HydrophobicContact CB-CB 4.01Å; V250-L322 HydrophobicContact CG1-CB 4.04Å; V250-L322 HydrophobicContact CG1-CD2 3.98Å; V250-L322 PolarHBondContact O-N 3.42Å
251T95.9Very high93Very high33 Ų3331.5 Ų31.520%0.20217%0.172CC..EExtended strand (participates in β ladder)trans-122.8136.9-179.850.90000110.5N243 Q244N243-T251 CarbonylContact C-O 3.58Å; N243-T251 WeakPolarHBondContact CA-O 3.34Å; Q244-T251 PolarHBondContact N-O 3.46Å; Q244-T251 PolarHBondContact O-N 2.81Å
252T96.5Very high92.9Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-91.7129.4177.5-48.70000111.2N243 L265 H287 L288 L290N243-T252 VanDerWaalsContact OD1-CA 3.29Å; N243-T252 WeakPolarHBondContact OD1-CA 3.48Å; N243-T252 VanDerWaalsContact OD1-CB 3.26Å; N243-T252 WeakPolarHBondContact OD1-CB 3.06Å; N243-T252 WeakPolarHBondContact OD1-CG2 3.14Å; N243-T252 PolarHBondContact OD1-OG1 2.77Å; T252-L265 HydrophobicContact CG2-CD1 3.72Å; T252-L265 HydrophobicContact CG2-CG 4.3Å; T252-H287 PolarHBondContact N-ND1 3.45Å; T252-H287 VanDerWaalsContact OG1-CA 3.28Å; T252-H287 WeakPolarHBondContact OG1-CA 3.27Å; T252-L288 HydrophobicContact CG2-CB 4.35Å; T252-L288 PolarHBondContact OG1-N 2.88Å; T252-L288 PolarHBondContact OG1-O 3.07Å; T252-L290 HydrophobicContact CG2-CD2 4.28Å
253L97Very high92.8Very high14 Ų1436 Ų367%0.07319%0.191CC..EExtended strand (participates in β ladder)trans-120.6151.6178.3-56.6174.6000110.6L213 L241 A242 Q244 W262 E263L213-L253 HydrophobicContact CD1-CD1 4.02Å; L241-L253 CarbonylContact C-O 3.49Å; L241-L253 VanDerWaalsContact CA-O 3.28Å; L241-L253 WeakPolarHBondContact CA-O 3.28Å; A242-L253 PolarHBondContact N-O 2.85Å; A242-L253 PolarHBondContact O-N 2.83Å; Q244-L253 HydrophobicContact CB-CD1 4.16Å; L253-W262 HydrophobicContact CB-CB 4.19Å; L253-W262 HydrophobicContact CB-CE3 3.82Å; L253-W262 HydrophobicContact CD1-CB 4.06Å; L253-E263 CarbonylContact C-O 3.59Å; L253-E263 VanDerWaalsContact CA-O 3.28Å; L253-E263 WeakPolarHBondContact CA-O 3.48Å
254I96.9Very high92.8Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-123145.5171.6-169.7166.5000110V239 F240 L241 F256 W262 E263 L265 L447V239-I254 HydrophobicContact CG1-CD1 4.04Å; V239-I254 HydrophobicContact CG1-CG1 4.08Å; F240-I254 WeakPolarHBondContact O-CA 3.12Å; L241-I254 HydrophobicContact CG-CD1 4.5Å; L241-I254 HydrophobicContact CG-CG1 4.36Å; I254-F256 HydrophobicContact CD1-CE1 4.37Å; I254-F256 HydrophobicContact CD1-CE2 4.05Å; I254-F256 HydrophobicContact CD1-CZ 3.72Å; I254-F256 HydrophobicContact CG1-CE2 4.06Å; I254-F256 HydrophobicContact CG1-CZ 4.22Å; I254-F256 HydrophobicContact CG2-CE2 3.98Å; I254-W262 WeakPolarHBondContact O-CA 2.83Å; I254-E263 PolarHBondContact N-O 3.43Å; I254-E263 PolarHBondContact O-N 2.94Å; I254-L265 HydrophobicContact CB-CD2 3.72Å; I254-L265 HydrophobicContact CD1-CD2 4.34Å; I254-L265 HydrophobicContact CG2-CD2 3.62Å; I254-L447 HydrophobicContact CG2-CD1 4.16Å
255T94.7Very high92.8Very high1 Ų136.5 Ų36.51%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-128.4141.1171.8179.50000109.6V239 F240 N257 G259 T261 W262V239-T255 VanDerWaalsContact CA-O 3.24Å; V239-T255 WeakPolarHBondContact CA-O 3.38Å; V239-T255 WeakPolarHBondContact CG1-O 3.16Å; F240-T255 HydrophobicContact CB-CG2 3.67Å; F240-T255 HydrophobicContact CD2-CG2 4.36Å; F240-T255 HydrophobicContact CG-CG2 4.48Å; F240-T255 PolarHBondContact N-O 2.83Å; F240-T255 VanDerWaalsContact N-O 3.1Å; F240-T255 PolarHBondContact O-N 2.64Å; T255-N257 PolarHBondContact OG1-N 2.84Å; T255-N257 PolarHBondContact OG1-OD1 3.22Å; T255-G259 PolarHBondContact OG1-N 3.23Å; T255-T261 WeakPolarHBondContact CA-O 3.31Å; T255-T261 WeakPolarHBondContact CB-O 3.44Å; T255-T261 PolarHBondContact OG1-O 3.33Å; T255-W262 HydrophobicContact CG2-CD2 4.05Å; T255-W262 HydrophobicContact CG2-CE3 3.85Å; T255-W262 HydrophobicContact CG2-CH2 3.59Å; T255-W262 HydrophobicContact CG2-CZ2 3.77Å; T255-W262 HydrophobicContact CG2-CZ3 3.62Å
256F92.6Very high92.7Very high10 Ų1035.7 Ų35.74%0.04420%0.201CC..SBendtrans-107-10.6175.5-65.9-91.3000112.9V239 I254 C335 D446 L447 I453V239-F256 HydrophobicContact CG1-CD1 4.29Å; V239-F256 HydrophobicContact CG1-CE1 4.34Å; V239-F256 HydrophobicContact CG2-CD1 3.83Å; V239-F256 HydrophobicContact CG2-CE1 4.43Å; I254-F256 HydrophobicContact CD1-CE1 4.37Å; I254-F256 HydrophobicContact CD1-CE2 4.05Å; I254-F256 HydrophobicContact CD1-CZ 3.72Å; I254-F256 HydrophobicContact CG1-CE2 4.06Å; I254-F256 HydrophobicContact CG1-CZ 4.22Å; I254-F256 HydrophobicContact CG2-CE2 3.98Å; F256-C335 HydrophobicContact CE1-CB 4.48Å; F256-C335 VanDerWaalsContact CE1-O 3.23Å; F256-C335 WeakPolarHBondContact CE1-O 3.41Å; F256-C335 VanDerWaalsContact CZ-O 3.3Å; F256-C335 WeakPolarHBondContact CZ-O 3.47Å; F256-D446 HydrophobicContact CB-CB 4.49Å; F256-D446 HydrophobicContact CD2-CB 4.16Å; F256-D446 HydrophobicContact CG-CB 4.23Å; F256-L447 HydrophobicContact CE2-CD1 4.48Å; F256-L447 HydrophobicContact CE2-CD2 4.24Å; F256-L447 HydrophobicContact CE2-CG 3.9Å; F256-L447 HydrophobicContact CZ-CD2 4.38Å; F256-I453 HydrophobicContact CB-CD1 4.46Å; F256-I453 HydrophobicContact CB-CG2 4.15Å; F256-I453 HydrophobicContact CD1-CD1 4.4Å; F256-I453 WeakPolarHBondContact O-CG2 3.2Å
257N88.4Confident92.8Very high22 Ų2233.2 Ų33.212%0.11819%0.19CC..SBendtrans-117.940.3-175.158.16.1000111T255 G259 R260 T261 M454T255-N257 PolarHBondContact OG1-N 2.84Å; T255-N257 PolarHBondContact OG1-OD1 3.22Å; N257-G259 PolarHBondContact O-N 3.5Å; N257-R260 HydrophobicContact CB-CB 4.28Å; N257-R260 PolarHBondContact O-N 2.05Å; N257-R260 PolarHBondContact OD1-N 2.81Å; N257-T261 PolarHBondContact ND2-N 3.1Å; N257-T261 PolarHBondContact ND2-OG1 2.87Å; N257-T261 PolarHBondContact OD1-N 2.95Å; N257-T261 PolarHBondContact OD1-O 3.09Å; N257-T261 PolarHBondContact OD1-OG1 3.45Å; N257-M454 HydrophobicContact CB-SD 4.41Å
258K88.1Confident93Very high9 Ų925.9 Ų25.94%0.03915%0.152CC..THydrogen-bonded Turntrans57.633.3170.7-146.4177.1-171.8-176.70114.2E181 Q201 G238 F240 M454 V537 S539E181-K258 WeakPolarHBondContact OE2-CE 3.49Å; E181-K258 IonicContact OE2-NZ 3.85Å; E181-K258 PolarHBondContact OE2-NZ 2.99Å; Q201-K258 PolarHBondContact NE2-O 2.82Å; G238-K258 WeakPolarHBondContact O-CA 3.39Å; G238-K258 PolarHBondContact O-N 2.8Å; F240-K258 HydrophobicContact CE2-CG 3.91Å; K258-M454 HydrophobicContact CB-CE 4Å; K258-M454 HydrophobicContact CB-SD 4.09Å; K258-M454 HydrophobicContact CD-CE 3.97Å; K258-V537 HydrophobicContact CB-CG1 4.42Å; K258-S539 PolarHBondContact NZ-OG 3.35Å
259G88Confident93.2Very high1 Ų129.2 Ų29.21%0.0116%0.162CC..THydrogen-bonded Turntrans99.42.2175.700000115.6I212 T255 N257 W262I212-G259 WeakPolarHBondContact CB-O 3.46Å; T255-G259 PolarHBondContact OG1-N 3.23Å; N257-G259 PolarHBondContact O-N 3.5Å; G259-W262 PolarHBondContact O-NE1 2.87Å
260R87.1Confident93.1Very high19 Ų1926.7 Ų26.77%0.07216%0.157CC..SBendtrans-68-46177.3172.4-173.6-173.1-81.7-1.4112.4N257 D488 N489 F491 I492 R499 D505N257-R260 HydrophobicContact CB-CB 4.28Å; N257-R260 PolarHBondContact O-N 2.05Å; N257-R260 PolarHBondContact OD1-N 2.81Å; R260-D488 PolarHBondContact NH2-O 3.05Å; R260-N489 WeakPolarHBondContact CD-O 3.36Å; R260-N489 VanDerWaalsContact CZ-CA 3.43Å; R260-N489 PolarHBondContact NE-O 2.87Å; R260-N489 PolarHBondContact NH1-OD1 2.67Å; R260-F491 PolarHBondContact NE-O 3.33Å; R260-I492 HydrophobicContact CB-CG2 3.59Å; R260-I492 HydrophobicContact CG-CG2 3.61Å; R260-R499 VanDerWaalsContact CG-NH2 3.26Å; R260-R499 VanDerWaalsContact NE-NH2 3.17Å; R260-R499 PolarHBondContact O-NH1 3.21Å; R260-D505 IonicContact CZ-OD2 3.35Å; R260-D505 IonicContact NH1-OD2 2.78Å; R260-D505 IonicContact NH2-OD2 2.76Å; R260-D505 PolarHBondContact NH2-OD2 3Å
261T89.3Confident92.8Very high47 Ų4727.9 Ų27.929%0.28816%0.163SC..SBendtrans-129.6141.3174.557.80000110.1T255 N257T255-T261 WeakPolarHBondContact CA-O 3.31Å; T255-T261 WeakPolarHBondContact CB-O 3.44Å; T255-T261 PolarHBondContact OG1-O 3.33Å; N257-T261 PolarHBondContact ND2-N 3.1Å; N257-T261 PolarHBondContact ND2-OG1 2.87Å; N257-T261 PolarHBondContact OD1-N 2.95Å; N257-T261 PolarHBondContact OD1-O 3.09Å; N257-T261 PolarHBondContact OD1-OG1 3.45Å
262W93.4Very high92.3Very high44 Ų4430.1 Ų30.117%0.16717%0.172CC..  trans-123.4139.2-178.5-66.387.8000109.8I212 L213 I230 F240 A242 L253 I254 T255 G259I212-W262 PolarHBondContact O-NE1 2.82Å; L213-W262 HydrophobicContact CB-CZ2 4.08Å; L213-W262 HydrophobicContact CD1-CD2 4.18Å; L213-W262 HydrophobicContact CD1-CG 3.99Å; L213-W262 HydrophobicContact CD2-CD2 3.95Å; L213-W262 HydrophobicContact CD2-CE3 4.1Å; L213-W262 HydrophobicContact CD2-CH2 3.94Å; L213-W262 HydrophobicContact CD2-CZ2 3.78Å; L213-W262 HydrophobicContact CD2-CZ3 4.11Å; L213-W262 HydrophobicContact CG-CD2 4.5Å; L213-W262 HydrophobicContact CG-CZ2 4.48Å; I230-W262 HydrophobicContact CD1-CH2 4.46Å; F240-W262 HydrophobicContact CB-CH2 4.01Å; F240-W262 HydrophobicContact CB-CZ3 4.39Å; A242-W262 HydrophobicContact CB-CE3 4.42Å; A242-W262 HydrophobicContact CB-CH2 3.76Å; A242-W262 HydrophobicContact CB-CZ3 3.57Å; L253-W262 HydrophobicContact CB-CB 4.19Å; L253-W262 HydrophobicContact CB-CE3 3.82Å; L253-W262 HydrophobicContact CD1-CB 4.06Å; I254-W262 WeakPolarHBondContact O-CA 2.83Å; T255-W262 HydrophobicContact CG2-CD2 4.05Å; T255-W262 HydrophobicContact CG2-CE3 3.85Å; T255-W262 HydrophobicContact CG2-CH2 3.59Å; T255-W262 HydrophobicContact CG2-CZ2 3.77Å; T255-W262 HydrophobicContact CG2-CZ3 3.62Å; G259-W262 PolarHBondContact O-NE1 2.87Å
263E94Very high91.9Very high50 Ų5036.7 Ų36.723%0.23421%0.207CC..EExtended strand (participates in β ladder)trans-137.4147-175-65.7-178.2-134.100111.3L253 I254 L447 Q448L253-E263 CarbonylContact C-O 3.59Å; L253-E263 VanDerWaalsContact CA-O 3.28Å; L253-E263 WeakPolarHBondContact CA-O 3.48Å; I254-E263 PolarHBondContact N-O 3.43Å; I254-E263 PolarHBondContact O-N 2.94Å; E263-L447 HydrophobicContact CB-CD1 3.8Å; E263-L447 WeakPolarHBondContact OE2-CD1 3.26Å; E263-Q448 PolarHBondContact OE1-NE2 2.59Å; E263-Q448 PolarHBondContact OE1-OE1 2.99Å; E263-Q448 PolarHBondContact OE2-NE2 3.37Å
264S95.8Very high91.4Very high42 Ų4238.4 Ų38.429%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-70.8146.5176-57.70000111.5H285S264-H285 WeakPolarHBondContact CB-ND1 3.47Å
265L96.3Very high91.1Very high0 Ų045.2 Ų45.20%026%0.258CS..BIsolated β-bridgetrans-69.1136177-55.6178.2000111.5L241 T252 I254 H285 L286 L288 W339L241-L265 HydrophobicContact CD2-CD1 4.36Å; L241-L265 HydrophobicContact CD2-CD2 4.4Å; T252-L265 HydrophobicContact CG2-CD1 3.72Å; T252-L265 HydrophobicContact CG2-CG 4.3Å; I254-L265 HydrophobicContact CB-CD2 3.72Å; I254-L265 HydrophobicContact CD1-CD2 4.34Å; I254-L265 HydrophobicContact CG2-CD2 3.62Å; L265-H285 PolarHBondContact O-ND1 3.03Å; L265-L286 HydrophobicContact CB-CB 3.82Å; L265-L286 HydrophobicContact CB-CD2 4.31Å; L265-L286 HydrophobicContact CB-CG 4.25Å; L265-L286 WeakPolarHBondContact CB-O 3.4Å; L265-L286 HydrophobicContact CD1-CD2 4.26Å; L265-L286 HydrophobicContact CD1-CG 4.2Å; L265-L286 PolarHBondContact O-N 2.92Å; L265-L286 VanDerWaalsContact O-N 3.17Å; L265-L288 HydrophobicContact CD1-CD1 3.68Å; L265-L288 HydrophobicContact CD1-CG 3.86Å; L265-W339 HydrophobicContact CD1-CZ2 4.1Å; L265-W339 HydrophobicContact CD2-CZ2 4.05Å
266A93.7Very high90.9Very high39 Ų3950.2 Ų50.232%0.32229%0.29SS..PPolyproline II helixtrans-71.2133.5176.600000111.1
267P95.1Very high90.9Very high25 Ų2551 Ų5116%0.16230%0.296CS..PPolyproline II helixtrans-67.7149.3173.630-34.9000110.8C279 V281 L318P267-C279 HydrophobicContact CB-CB 4.25Å; P267-V281 HydrophobicContact CG-CG2 4.33Å; P267-L318 HydrophobicContact CB-CD2 3.73Å
268P94.9Very high90.9Very high7 Ų755.5 Ų55.55%0.04533%0.329CS..PPolyproline II helixtrans-64.4150.2172.728.2-32.4000110.9V277 L318 Y330 W339P268-V277 HydrophobicContact CG-CG2 4.39Å; P268-V277 WeakPolarHBondContact O-CB 3.34Å; P268-L318 HydrophobicContact CG-CD1 4.15Å; P268-L318 HydrophobicContact CG-CD2 4.48Å; P268-Y330 HydrophobicContact CG-CD1 4.22Å; P268-Y330 HydrophobicContact CG-CE1 3.88Å; P268-W339 VanDerWaalsContact CB-O 3.32Å; P268-W339 WeakPolarHBondContact CB-O 3.37Å
269T91.4Very high91Very high121 Ų12155.8 Ų55.874%0.74233%0.332SS*.SBendtrans-75.3-31179.951.10000112.8V277T269-V277 PolarHBondContact O-N 3.05Å
270T91.3Very high91Very high62 Ų6263.3 Ų63.338%0.3836%0.364SS..BIsolated β-bridgetrans-132.9148.6-179.856.90000111.1K275 V277T270-K275 CarbonylContact C-O 3.57Å; T270-K275 VanDerWaalsContact CA-O 3.23Å; T270-K275 WeakPolarHBondContact CA-O 3.37Å; T270-V277 VanDerWaalsContact C-CG2 3.48Å
271D88Confident91Very high40 Ų4066.7 Ų66.721%0.21439%0.387CS..  trans-74.8178.8170.771.911.7000111.3N273 G274 K275 V277D271-N273 PolarHBondContact O-N 2.86Å; D271-N273 VanDerWaalsContact O-N 3.13Å; D271-N273 VanDerWaalsContact OD1-C 3.31Å; D271-N273 VanDerWaalsContact OD1-CA 3.32Å; D271-N273 WeakPolarHBondContact OD1-CA 3.32Å; D271-N273 WeakPolarHBondContact OD1-CB 3.24Å; D271-N273 PolarHBondContact OD1-N 3.5Å; D271-G274 PolarHBondContact O-N 2.89Å; D271-G274 PolarHBondContact OD1-N 3.01Å; D271-K275 PolarHBondContact N-O 2.89Å; D271-K275 WeakPolarHBondContact OD1-CB 3.49Å; D271-K275 PolarHBondContact OD1-N 2.9Å; D271-K275 WeakPolarHBondContact OD2-CB 3.46Å; D271-V277 HydrophobicContact CB-CG2 4.27Å
272M86.1Confident90.9Very high80 Ų8069.2 Ų69.239%0.39440%0.404SS..THydrogen-bonded Turntrans-61.6-18.2178.970.2-171.4-5400114.4V342 E344M272-V342 WeakPolarHBondContact CE-O 3.17Å; M272-E344 HydrophobicContact SD-CB 4.3Å
273N87.6Confident90.7Very high137 Ų13773.5 Ų73.573%0.73343%0.43SS*.THydrogen-bonded Turntrans-97.56.5178-62.1-53.8000112.2D271 K275D271-N273 PolarHBondContact O-N 2.86Å; D271-N273 VanDerWaalsContact O-N 3.13Å; D271-N273 VanDerWaalsContact OD1-C 3.31Å; D271-N273 VanDerWaalsContact OD1-CA 3.32Å; D271-N273 WeakPolarHBondContact OD1-CA 3.32Å; D271-N273 WeakPolarHBondContact OD1-CB 3.24Å; D271-N273 PolarHBondContact OD1-N 3.5Å; N273-K275 VanDerWaalsContact C-N 3.29Å; N273-K275 PolarHBondContact O-N 2.81Å
274G86.4Confident90.6Very high51 Ų5172.1 Ų72.153%0.52643%0.426SS..SBendtrans76.212.4-178.600000114.2D271D271-G274 PolarHBondContact O-N 2.89Å; D271-G274 PolarHBondContact OD1-N 3.01Å
275K89.9Confident90.6Very high143 Ų14371.8 Ų71.862%0.62242%0.419SS*.PPolyproline II helixtrans-86.4142.6178.1-161.8-179.7-179.9-176.50110.1T270 D271 N273 V277T270-K275 CarbonylContact C-O 3.57Å; T270-K275 VanDerWaalsContact CA-O 3.23Å; T270-K275 WeakPolarHBondContact CA-O 3.37Å; D271-K275 PolarHBondContact N-O 2.89Å; D271-K275 WeakPolarHBondContact OD1-CB 3.49Å; D271-K275 PolarHBondContact OD1-N 2.9Å; D271-K275 WeakPolarHBondContact OD2-CB 3.46Å; N273-K275 VanDerWaalsContact C-N 3.29Å; N273-K275 PolarHBondContact O-N 2.81Å; K275-V277 PolarHBondContact O-N 3.5Å
276P91.9Very high90.6Very high106 Ų10671.8 Ų71.869%0.68842%0.419SS*.BIsolated β-bridgetrans-59.8132.7177.1-23.733.1000112.4
277V91.6Very high90.7Very high26 Ų2670 Ų7016%0.15841%0.405CS..PPolyproline II helixtrans-75140177.4175.20000110.2P268 T269 T270 D271 K275 C279 L318P268-V277 HydrophobicContact CG-CG2 4.39Å; P268-V277 WeakPolarHBondContact O-CB 3.34Å; T269-V277 PolarHBondContact O-N 3.05Å; T270-V277 VanDerWaalsContact C-CG2 3.48Å; D271-V277 HydrophobicContact CB-CG2 4.27Å; K275-V277 PolarHBondContact O-N 3.5Å; V277-C279 HydrophobicContact CG1-CB 3.69Å; V277-L318 HydrophobicContact CG1-CD1 3.75Å
278S88.8Confident90.6Very high117 Ų11768.8 Ų68.882%0.81840%0.397SS*.SBendtrans-78.9-23-179.854.90000114K280S278-K280 PolarHBondContact O-N 3.17Å
279C90.3Very high90.4Very high14 Ų1468.5 Ų68.510%0.09540%0.395CS..  trans-63.3120177-174.40000111P267 V277 C284 L318P267-C279 HydrophobicContact CB-CB 4.25Å; V277-C279 HydrophobicContact CG1-CB 3.69Å; C279-C284 VanDerWaalsContact CA-SG 3.53Å; C279-C284 HydrophobicContact CB-CB 4.04Å; C279-C284 WeakPolarHBondContact CB-SG 3.27Å; C279-C284 WeakPolarHBondContact SG-CB 3.29Å; C279-C284 CovalentContact SG-SG 2.02Å; C279-C284 PolarHBondContact SG-SG 2.61Å; C279-L318 HydrophobicContact CB-CB 4.24Å
280K88.3Confident90.3Very high159 Ų15962.8 Ų62.869%0.69136%0.36SS*.  trans-132.1140.4177.9-65.1-175.5-178.6-177.60110.8S278 D283 C284S278-K280 PolarHBondContact O-N 3.17Å; K280-D283 PolarHBondContact O-N 2.76Å; K280-C284 PolarHBondContact O-N 3Å
281V87.6Confident89.9Confident91 Ų9164.9 Ų64.955%0.55236%0.361SS*.THydrogen-bonded Turntrans-63.3139.8170.4-179.20000108.7P267P267-V281 HydrophobicContact CG-CG2 4.33Å
282P87.4Confident89.1Confident99 Ų9966.3 Ų66.364%0.64336%0.363SS*.THydrogen-bonded Turncis-94.4-1011.836.8-35.7000116.4C284 H285P282-C284 VanDerWaalsContact C-N 3.33Å; P282-C284 PolarHBondContact O-N 3.44Å; P282-H285 PolarHBondContact O-NE2 2.78Å
283D88.1Confident88Confident134 Ų13463 Ų6372%0.71735%0.348SS*.THydrogen-bonded Turntrans-82.6-12.9-170.7-60.1-42.8000113.7K280K280-D283 PolarHBondContact O-N 2.76Å
284C92.1Very high86.8Confident22 Ų2258.5 Ų58.515%0.14932%0.324CS..  trans-142.4131.6-172.7-172.80000112C279 K280 P282 G319C279-C284 VanDerWaalsContact CA-SG 3.53Å; C279-C284 HydrophobicContact CB-CB 4.04Å; C279-C284 WeakPolarHBondContact CB-SG 3.27Å; C279-C284 WeakPolarHBondContact SG-CB 3.29Å; C279-C284 CovalentContact SG-SG 2.02Å; C279-C284 PolarHBondContact SG-SG 2.61Å; K280-C284 PolarHBondContact O-N 3Å; P282-C284 VanDerWaalsContact C-N 3.33Å; P282-C284 PolarHBondContact O-N 3.44Å; C284-G319 WeakPolarHBondContact CA-O 3.48Å; C284-G319 WeakPolarHBondContact SG-CA 3.42Å; C284-G319 PolarHBondContact SG-N 2.79Å; C284-G319 VanDerWaalsContact SG-N 3.43Å
285H95.8Very high85.5Confident34 Ų3458.1 Ų58.116%0.15731%0.31CS..EExtended strand (participates in β ladder)trans-135.2171.8-177-69.8-83000111.1S264 L265 P282 G319S264-H285 WeakPolarHBondContact CB-ND1 3.47Å; L265-H285 PolarHBondContact O-ND1 3.03Å; P282-H285 PolarHBondContact O-NE2 2.78Å; H285-G319 PolarHBondContact N-O 2.81Å; H285-G319 PolarHBondContact O-N 3.28Å
286L96.1Very high84Confident0 Ų056.7 Ų56.70%032%0.316CS..EExtended strand (participates in β ladder)trans-83.1136.1167.5173.965.8000109.8L265 L288 L318 Y330 W339L265-L286 HydrophobicContact CB-CB 3.82Å; L265-L286 HydrophobicContact CB-CD2 4.31Å; L265-L286 HydrophobicContact CB-CG 4.25Å; L265-L286 WeakPolarHBondContact CB-O 3.4Å; L265-L286 HydrophobicContact CD1-CD2 4.26Å; L265-L286 HydrophobicContact CD1-CG 4.2Å; L265-L286 PolarHBondContact O-N 2.92Å; L265-L286 VanDerWaalsContact O-N 3.17Å; L286-L288 HydrophobicContact CD1-CD2 4.14Å; L286-L288 HydrophobicContact CD2-CD2 4.39Å; L286-L288 HydrophobicContact CG-CD2 4.25Å; L286-L318 HydrophobicContact CB-CD2 3.93Å; L286-L318 HydrophobicContact CD1-CD2 3.95Å; L286-Y330 HydrophobicContact CD1-CD1 3.88Å; L286-Y330 HydrophobicContact CD1-CD2 3.59Å; L286-Y330 HydrophobicContact CD1-CE1 3.97Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CD1-CG 3.7Å; L286-Y330 HydrophobicContact CD2-CD1 4.45Å; L286-Y330 HydrophobicContact CD2-CG 4.31Å; L286-W339 HydrophobicContact CD2-CB 3.85Å; L286-W339 HydrophobicContact CD2-CD2 3.4Å; L286-W339 HydrophobicContact CD2-CE3 3.7Å; L286-W339 HydrophobicContact CD2-CG 3.46Å; L286-W339 VanDerWaalsContact CD2-CG 3.46Å; L286-W339 HydrophobicContact CD2-CZ3 4.41Å
287H95.3Very high82.2Confident2 Ų261.1 Ų61.11%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-128.9141.3174.6-56.3-50.8000109.7T252 G316 N317 G319 K321 L322T252-H287 PolarHBondContact N-ND1 3.45Å; T252-H287 VanDerWaalsContact OG1-CA 3.28Å; T252-H287 WeakPolarHBondContact OG1-CA 3.27Å; H287-G316 CarbonylContact O-C 3.59Å; H287-G316 WeakPolarHBondContact O-CA 3.32Å; H287-N317 PolarHBondContact N-O 2.9Å; H287-N317 PolarHBondContact O-N 2.91Å; H287-G319 PolarHBondContact NE2-O 2.88Å; H287-K321 PolarHBondContact NE2-N 2.71Å; H287-L322 HydrophobicContact CB-CB 4.19Å; H287-L322 HydrophobicContact CB-CD1 3.87Å
288L94.2Very high80.6Confident0 Ų061.2 Ų61.20%032%0.32CS..EExtended strand (participates in β ladder)trans-124.4142.9-174.9-59.5175.8000110.7L241 N243 T252 L265 L286 L290 V302 A315 Y330 W339L241-L288 HydrophobicContact CD2-CD1 4.23Å; N243-L288 PolarHBondContact ND2-O 3.04Å; N243-L288 PolarHBondContact OD1-O 3Å; T252-L288 HydrophobicContact CG2-CB 4.35Å; T252-L288 PolarHBondContact OG1-N 2.88Å; T252-L288 PolarHBondContact OG1-O 3.07Å; L265-L288 HydrophobicContact CD1-CD1 3.68Å; L265-L288 HydrophobicContact CD1-CG 3.86Å; L286-L288 HydrophobicContact CD1-CD2 4.14Å; L286-L288 HydrophobicContact CD2-CD2 4.39Å; L286-L288 HydrophobicContact CG-CD2 4.25Å; L288-L290 HydrophobicContact CB-CD2 4.03Å; L288-L290 PolarHBondContact O-N 3.22Å; L288-V302 HydrophobicContact CB-CG2 4.02Å; L288-V302 HydrophobicContact CD1-CG2 4.05Å; L288-A315 WeakPolarHBondContact CA-O 3.42Å; L288-Y330 HydrophobicContact CD2-CD2 4.3Å; L288-W339 HydrophobicContact CD1-CH2 3.54Å; L288-W339 HydrophobicContact CD1-CZ2 4.17Å; L288-W339 HydrophobicContact CD1-CZ3 3.98Å
289H90.6Very high79.1Confident0 Ų057.3 Ų57.30%029%0.293CS..  trans-78.1109.6165.2-66.5-76.1000107.6G300 A315 V323H289-G300 CarbonylContact C-O 3.56Å; H289-G300 VanDerWaalsContact O-O 3.04Å; H289-A315 PolarHBondContact N-O 2.6Å; H289-V323 PolarHBondContact NE2-O 3.24Å
290L90.1Very high77.6Confident1 Ų156.6 Ų56.61%0.00529%0.289CS..  trans-86-69.6-170.2-57.3178.9000111.9D229 L241 N243 T252 L288 T301 V302D229-L290 WeakPolarHBondContact OD1-CB 3.49Å; L241-L290 HydrophobicContact CB-CD1 3.93Å; L241-L290 HydrophobicContact CB-CD2 3.83Å; L241-L290 HydrophobicContact CD2-CD2 4.21Å; N243-L290 HydrophobicContact CB-CD1 4.4Å; T252-L290 HydrophobicContact CG2-CD2 4.28Å; L288-L290 HydrophobicContact CB-CD2 4.03Å; L288-L290 PolarHBondContact O-N 3.22Å; L290-T301 WeakPolarHBondContact O-CA 3.31Å; L290-V302 HydrophobicContact CD2-CB 4.45Å; L290-V302 HydrophobicContact CD2-CG2 3.72Å; L290-V302 PolarHBondContact O-N 3.46Å
291R81.5Confident76.9Confident107 Ų10750.3 Ų50.340%0.40426%0.264SS..SBendtrans-118.6-0.5177.8-59.1-170.983.7179.27.6112.1L227 D229 I230 R947L227-R291 HydrophobicContact CD1-CB 4.42Å; L227-R291 HydrophobicContact CD2-CB 3.97Å; L227-R291 WeakPolarHBondContact CD2-O 3.39Å; L227-R291 HydrophobicContact CG-CB 4.47Å; D229-R291 PolarHBondContact OD1-N 2.81Å; I230-R291 VanDerWaalsContact O-CD 3.24Å; I230-R291 WeakPolarHBondContact O-CD 2.97Å; R291-R947 PolarHBondContact O-NH1 3.48Å; R291-R947 PolarHBondContact O-NH2 3.02Å
292W71.9Confident76.7Confident69 Ų6946.5 Ų46.526%0.26124%0.24SC..  trans-140.5126-180-175.5-95.1000109.7T219 Q221 L227 D294T219-W292 HydrophobicContact CG2-CD2 3.66Å; T219-W292 HydrophobicContact CG2-CE3 3.68Å; T219-W292 HydrophobicContact CG2-CG 4.14Å; T219-W292 HydrophobicContact CG2-CH2 4.31Å; T219-W292 HydrophobicContact CG2-CZ2 4.3Å; T219-W292 HydrophobicContact CG2-CZ3 4.03Å; Q221-W292 HydrophobicContact CG-CZ3 3.89Å; Q221-W292 VanDerWaalsContact NE2-CZ3 3.33Å; L227-W292 HydrophobicContact CD2-CB 3.91Å; L227-W292 HydrophobicContact CD2-CE3 3.99Å; W292-D294 PolarHBondContact NE1-OD1 3.1Å
293A61.8Low76.6Confident11 Ų1144 Ų449%0.09122%0.22CC..  trans-95131.5161.700000107.7N295 V298A293-N295 PolarHBondContact O-N 2.93Å; A293-V298 HydrophobicContact CB-CG2 3.68Å
294D64.3Low76.5Confident42 Ų4238.4 Ų38.423%0.22519%0.191CC..SBendtrans-69.2-22.4171.5-76.2-44.3000112.6R217 W292 P296 E324R217-D294 IonicContact CZ-OD1 2.84Å; R217-D294 IonicContact CZ-OD2 3.88Å; R217-D294 VanDerWaalsContact CZ-OD2 3.32Å; R217-D294 IonicContact NH1-OD1 3.69Å; R217-D294 IonicContact NH1-OD2 3.99Å; R217-D294 PolarHBondContact NH1-OD2 2.92Å; R217-D294 IonicContact NH2-OD1 3.67Å; R217-D294 PolarHBondContact NH2-OD1 2.94Å; R217-D294 IonicContact NH2-OD2 2.86Å; R217-D294 PolarHBondContact NH2-OD2 3Å; W292-D294 PolarHBondContact NE1-OD1 3.1Å; D294-P296 WeakPolarHBondContact O-CD 3.44Å; D294-E324 HydrophobicContact CB-CB 4.08Å; D294-E324 VanDerWaalsContact CB-CD 3.45Å; D294-E324 HydrophobicContact CB-CG 3.48Å; D294-E324 VanDerWaalsContact CB-CG 3.48Å; D294-E324 WeakPolarHBondContact CB-OE1 3.48Å
295N59.1Low76.1Confident43 Ų4340.1 Ų40.123%0.2320%0.196CC..SBendtrans-81.6114.9173.2177.36.2000109.9A293 Y297 V298A293-N295 PolarHBondContact O-N 2.93Å; N295-Y297 PolarHBondContact O-N 2.82Å; N295-Y297 VanDerWaalsContact O-N 3.1Å; N295-Y297 WeakPolarHBondContact OD1-CD2 3.32Å; N295-Y297 PolarHBondContact OD1-N 2.79Å; N295-V298 HydrophobicContact CB-CG2 3.59Å; N295-V298 VanDerWaalsContact O-CG2 3.31Å; N295-V298 WeakPolarHBondContact O-CG2 3.07Å; N295-V298 PolarHBondContact O-N 3.31Å
296P58.1Low75.5Confident113 Ų11343.4 Ų43.473%0.73421%0.214SC*.THydrogen-bonded Turntrans-69.8-7.8-176.129.3-35.9000113.9D294D294-P296 WeakPolarHBondContact O-CD 3.44Å
297Y53.3Low74.8Confident199 Ų19944.2 Ų44.278%0.7822%0.22SC*.THydrogen-bonded Turntrans-93.21.3-179.2-60.2-72.8000114N295N295-Y297 PolarHBondContact O-N 2.82Å; N295-Y297 VanDerWaalsContact O-N 3.1Å; N295-Y297 WeakPolarHBondContact OD1-CD2 3.32Å; N295-Y297 PolarHBondContact OD1-N 2.79Å
298V57.2Low74.4Confident28 Ų2844.3 Ų44.317%0.1722%0.221CC..SBendtrans-135.6153.7-176.7-70.10000111.2A293 N295 E327 E346A293-V298 HydrophobicContact CB-CG2 3.68Å; N295-V298 HydrophobicContact CB-CG2 3.59Å; N295-V298 VanDerWaalsContact O-CG2 3.31Å; N295-V298 WeakPolarHBondContact O-CG2 3.07Å; N295-V298 PolarHBondContact O-N 3.31Å; V298-E327 WeakPolarHBondContact CG2-OE1 3.42Å; V298-E346 WeakPolarHBondContact CB-OE2 3.3Å; V298-E346 HydrophobicContact CG1-CB 4.38Å
299S58.4Low74.2Confident35 Ų3545 Ų4525%0.24523%0.225CC..  trans-80.5-27.3-175.4-172.60000112.5T301 E346S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 WeakPolarHBondContact O-CG2 3.43Å; S299-T301 PolarHBondContact O-N 3.17Å; S299-T301 VanDerWaalsContact O-N 3.14Å; S299-E346 PolarHBondContact N-OE1 3.04Å
300G58.5Low74.1Confident0 Ų045 Ų450%023%0.226CC..  trans49.540.1173.200000114.7H289 E346H289-G300 CarbonylContact C-O 3.56Å; H289-G300 VanDerWaalsContact O-O 3.04Å; G300-E346 PolarHBondContact N-OE1 3.32Å; G300-E346 PolarHBondContact N-OE2 3.24Å
301T73.7Confident74.3Confident27 Ų2745.2 Ų45.217%0.16623%0.227CC..  trans-106.3134.1-178.549.30000113.2L290 S299 H303L290-T301 WeakPolarHBondContact O-CA 3.31Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 WeakPolarHBondContact O-CG2 3.43Å; S299-T301 PolarHBondContact O-N 3.17Å; S299-T301 VanDerWaalsContact O-N 3.14Å; T301-H303 PolarHBondContact O-CD2 3.39Å; T301-H303 PolarHBondContact O-NE2 2.86Å; T301-H303 PolarHBondContact OG1-CE1 3.25Å
302V83.8Confident75Confident10 Ų1040.1 Ų40.16%0.06121%0.208CC..  trans-73.5128.2163.2170.30000109.8L231 L288 L290 T304 I312L231-V302 HydrophobicContact CD2-CB 3.58Å; L231-V302 HydrophobicContact CD2-CG1 3.54Å; L288-V302 HydrophobicContact CB-CG2 4.02Å; L288-V302 HydrophobicContact CD1-CG2 4.05Å; L290-V302 HydrophobicContact CD2-CB 4.45Å; L290-V302 HydrophobicContact CD2-CG2 3.72Å; L290-V302 PolarHBondContact O-N 3.46Å; V302-T304 HydrophobicContact CG1-CG2 4.19Å; V302-I312 HydrophobicContact CG1-CG2 3.46Å; V302-I312 VanDerWaalsContact CG1-CG2 3.46Å
303H84.7Confident76.1Confident48 Ų4836.9 Ų36.922%0.22220%0.195CC..EExtended strand (participates in β ladder)trans-98.1124.5179.7-60.4-82.8000110.9T301 M313 Y351T301-H303 PolarHBondContact O-CD2 3.39Å; T301-H303 PolarHBondContact O-NE2 2.86Å; T301-H303 PolarHBondContact OG1-CE1 3.25Å; H303-M313 PolarHBondContact N-O 3.06Å; H303-M313 PolarHBondContact O-N 2.9Å; H303-Y351 HydrophobicContact CB-CE2 4.09Å
304T87.1Confident77.5Confident16 Ų1636.3 Ų36.310%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-140.2150.6170.568.60000110V233 R234 V302 I312V233-T304 HydrophobicContact CG1-CG2 4.25Å; R234-T304 PolarHBondContact N-OG1 3.45Å; V302-T304 HydrophobicContact CG1-CG2 4.19Å; T304-I312 HydrophobicContact CG2-CB 4.12Å; T304-I312 HydrophobicContact CG2-CG1 3.93Å; T304-I312 HydrophobicContact CG2-CG2 3.77Å
305K82.6Confident78.9Confident57 Ų5734.4 Ų34.425%0.24818%0.181CC..  trans-132.2143.8176.6-71.7-71.9-165.2144.60109.8G235 S307 A308 Y351 D402G235-K305 VanDerWaalsContact CA-O 3.31Å; G235-K305 WeakPolarHBondContact CA-O 3.27Å; G235-K305 PolarHBondContact N-O 2.73Å; K305-S307 VanDerWaalsContact C-N 3.27Å; K305-S307 PolarHBondContact O-N 3.23Å; K305-A308 HydrophobicContact CB-CB 4.27Å; K305-A308 PolarHBondContact O-N 3.06Å; K305-Y351 HydrophobicContact CB-CD2 4.45Å; K305-Y351 HydrophobicContact CG-CD2 3.67Å; K305-Y351 HydrophobicContact CG-CE2 4.42Å; K305-Y351 HydrophobicContact CG-CG 4.41Å; K305-D402 IonicContact NZ-OD1 2.59Å; K305-D402 PolarHBondContact NZ-OD1 3.06Å; K305-D402 IonicContact NZ-OD2 3.99Å; K305-D402 PolarHBondContact NZ-OD2 3.15Å
306D82.6Confident80.5Confident104 Ų10432.4 Ų32.456%0.55617%0.17SC*.THydrogen-bonded Turntrans-62-35.7171.256.9-15.4000112.2R234 A308R234-D306 HydrophobicContact CB-CB 4.2Å; R234-D306 WeakPolarHBondContact O-CA 3.34Å; D306-A308 PolarHBondContact O-N 3.29Å
307S81.3Confident82.1Confident16 Ų1627.2 Ų27.211%0.11214%0.136CC..THydrogen-bonded Turntrans-66.1-20.3177.665.30000113.8K305 P309 H354K305-S307 VanDerWaalsContact C-N 3.27Å; K305-S307 PolarHBondContact O-N 3.23Å; S307-P309 WeakPolarHBondContact O-CD 3.44Å; S307-H354 WeakPolarHBondContact CB-ND1 3.2Å; S307-H354 WeakPolarHBondContact O-CB 3.42Å
308A88.1Confident84.1Confident4 Ų419.1 Ų19.13%0.03311%0.107CC..SBendtrans-124.570.6-17100000112K305 D306 G310 L311K305-A308 HydrophobicContact CB-CB 4.27Å; K305-A308 PolarHBondContact O-N 3.06Å; D306-A308 PolarHBondContact O-N 3.29Å; A308-G310 PolarHBondContact O-N 3.47Å; A308-L311 HydrophobicContact CB-CB 4.28Å; A308-L311 HydrophobicContact CB-CD1 3.95Å; A308-L311 PolarHBondContact O-N 2.81Å
309P88.9Confident85.8Confident14 Ų1418.5 Ų18.59%0.09111%0.106CC..THydrogen-bonded Turntrans-61.6135.2-176.725.5-34.1000112G235 V236 S307 L311 F460 S477G235-P309 WeakPolarHBondContact O-CB 3.3Å; V236-P309 HydrophobicContact CG2-CB 4.25Å; S307-P309 WeakPolarHBondContact O-CD 3.44Å; P309-L311 VanDerWaalsContact C-N 3.29Å; P309-L311 PolarHBondContact O-N 3.25Å; P309-F460 HydrophobicContact CB-CD1 3.87Å; P309-F460 HydrophobicContact CB-CE1 3.88Å; P309-F460 HydrophobicContact CB-CG 4.42Å; P309-F460 HydrophobicContact CB-CZ 4.45Å; P309-F460 HydrophobicContact CG-CD1 3.74Å; P309-F460 HydrophobicContact CG-CE1 4.17Å; P309-F460 HydrophobicContact CG-CG 4.36Å; P309-S477 VanDerWaalsContact CG-CB 3.49Å
310G89.8Confident87.5Confident1 Ų120.3 Ų20.31%0.0112%0.118CC..THydrogen-bonded Turntrans86.3-14.918000000115.1A308 S333 D334 C335A308-G310 PolarHBondContact O-N 3.47Å; G310-S333 CarbonylContact O-C 3.58Å; G310-S333 WeakPolarHBondContact O-CA 3.27Å; G310-D334 PolarHBondContact O-N 2.68Å; G310-C335 PolarHBondContact O-N 3.05Å
311L94.1Very high89.1Confident6 Ų624.7 Ų24.73%0.03114%0.137CC..  trans-83.1117.1174.3-73.9172.9000110.7A308 P309 I331 T332 Y351 I358 E377A308-L311 HydrophobicContact CB-CB 4.28Å; A308-L311 HydrophobicContact CB-CD1 3.95Å; A308-L311 PolarHBondContact O-N 2.81Å; P309-L311 VanDerWaalsContact C-N 3.29Å; P309-L311 PolarHBondContact O-N 3.25Å; L311-I331 HydrophobicContact CD2-CD1 4.31Å; L311-T332 WeakPolarHBondContact CA-O 3.35Å; L311-Y351 HydrophobicContact CB-CE1 4.43Å; L311-Y351 HydrophobicContact CD1-CE1 4.25Å; L311-I358 HydrophobicContact CD2-CD1 4.38Å; L311-E377 HydrophobicContact CD2-CB 4.09Å; L311-E377 HydrophobicContact CD2-CG 4.36Å
312I95.8Very high90Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-132.7125.4171.9-48.2170.6000106.6V233 V302 T304 I331 T332 W339V233-I312 HydrophobicContact CG1-CD1 3.95Å; V233-I312 HydrophobicContact CG1-CG1 4.07Å; V233-I312 HydrophobicContact CG2-CD1 3.91Å; V302-I312 HydrophobicContact CG1-CG2 3.46Å; V302-I312 VanDerWaalsContact CG1-CG2 3.46Å; T304-I312 HydrophobicContact CG2-CB 4.12Å; T304-I312 HydrophobicContact CG2-CG1 3.93Å; T304-I312 HydrophobicContact CG2-CG2 3.77Å; I312-I331 WeakPolarHBondContact O-CA 3.32Å; I312-T332 HydrophobicContact CB-CG2 3.51Å; I312-T332 HydrophobicContact CD1-CG2 4.11Å; I312-T332 HydrophobicContact CG1-CG2 4Å; I312-T332 PolarHBondContact N-O 3.43Å; I312-T332 VanDerWaalsContact N-O 3.11Å; I312-T332 WeakPolarHBondContact O-CG2 3.32Å; I312-T332 PolarHBondContact O-N 2.87Å; I312-W339 HydrophobicContact CB-CH2 4.2Å; I312-W339 HydrophobicContact CG2-CH2 3.9Å
313M94.6Very high90.3Very high0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-133.6136.9178.9-168.9169.4-176.600110.1H303 M329 Y330 I331 V342 F343 I349 Y351 I358 W381H303-M313 PolarHBondContact N-O 3.06Å; H303-M313 PolarHBondContact O-N 2.9Å; M313-M329 HydrophobicContact CE-CB 4.37Å; M313-M329 HydrophobicContact CE-CE 4.14Å; M313-M329 HydrophobicContact CG-CE 4.33Å; M313-Y330 VanDerWaalsContact CA-O 3.32Å; M313-Y330 WeakPolarHBondContact CA-O 3.48Å; M313-Y330 WeakPolarHBondContact CG-O 3.39Å; M313-I331 HydrophobicContact CB-CB 4.44Å; M313-I331 HydrophobicContact CB-CD1 4.43Å; M313-I331 HydrophobicContact CB-CG1 4.06Å; M313-I331 HydrophobicContact CG-CB 4.12Å; M313-I331 HydrophobicContact CG-CD1 4.41Å; M313-I331 HydrophobicContact CG-CG1 4.18Å; M313-I331 HydrophobicContact SD-CB 4.44Å; M313-I331 HydrophobicContact SD-CD1 3.95Å; M313-I331 HydrophobicContact SD-CG1 4.36Å; M313-V342 HydrophobicContact CE-CB 4.39Å; M313-V342 HydrophobicContact CE-CG1 4.33Å; M313-F343 HydrophobicContact CE-CD2 4.21Å; M313-F343 HydrophobicContact CE-CE2 4.06Å; M313-I349 HydrophobicContact CE-CD1 3.55Å; M313-I349 HydrophobicContact CE-CG1 4.2Å; M313-I349 HydrophobicContact CG-CG1 4.24Å; M313-I349 HydrophobicContact SD-CD1 3.65Å; M313-I349 HydrophobicContact SD-CG1 3.8Å; M313-I349 HydrophobicContact SD-CG2 3.93Å; M313-Y351 VanDerWaalsContact CB-OH 3.29Å; M313-Y351 WeakPolarHBondContact CB-OH 3.36Å; M313-I358 HydrophobicContact SD-CG2 4.26Å; M313-W381 HydrophobicContact CE-CH2 4.19Å; M313-W381 HydrophobicContact CE-CZ2 4.08Å
314G92.8Very high90.1Very high0 Ų027.6 Ų27.60%015%0.15CC..EExtended strand (participates in β ladder)trans-170.7167.6178.200000113.7Y330G314-Y330 PolarHBondContact N-O 3.07Å; G314-Y330 PolarHBondContact O-N 2.03Å
315A92.1Very high89.7Confident2 Ų236.5 Ų36.52%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-84146.7177.100000111.2L288 H289 E328 M329 E346L288-A315 WeakPolarHBondContact CA-O 3.42Å; H289-A315 PolarHBondContact N-O 2.6Å; A315-E328 CarbonylContact C-O 3.53Å; A315-E328 WeakPolarHBondContact CA-O 3.24Å; A315-M329 HydrophobicContact CB-SD 3.69Å; A315-E346 HydrophobicContact CB-CG 4.46Å
316G92.5Very high89.7Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-179.1-163.917900000113.3H287 E328H287-G316 CarbonylContact O-C 3.59Å; H287-G316 WeakPolarHBondContact O-CA 3.32Å; G316-E328 PolarHBondContact N-O 3.1Å; G316-E328 PolarHBondContact O-N 3Å
317N92.7Very high89.9Confident5 Ų534.1 Ų34.13%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-142.6164.517774.2-73.5000112.1H287 K321 L322 V323H287-N317 PolarHBondContact N-O 2.9Å; H287-N317 PolarHBondContact O-N 2.91Å; N317-K321 PolarHBondContact ND2-O 3.02Å; N317-L322 VanDerWaalsContact OD1-CA 3.27Å; N317-L322 WeakPolarHBondContact OD1-CA 3.35Å; N317-L322 WeakPolarHBondContact OD1-CD1 3.24Å; N317-V323 HydrophobicContact CB-CG2 4.2Å; N317-V323 PolarHBondContact OD1-N 3.48Å
318L94.5Very high90.4Very high29 Ų2934.3 Ų34.315%0.15217%0.168CC..EExtended strand (participates in β ladder)trans-100.1131.8170-65.8165.7000109.6P267 P268 V277 C279 L286 Y330P267-L318 HydrophobicContact CB-CD2 3.73Å; P268-L318 HydrophobicContact CG-CD1 4.15Å; P268-L318 HydrophobicContact CG-CD2 4.48Å; V277-L318 HydrophobicContact CG1-CD1 3.75Å; C279-L318 HydrophobicContact CB-CB 4.24Å; L286-L318 HydrophobicContact CB-CD2 3.93Å; L286-L318 HydrophobicContact CD1-CD2 3.95Å; L318-Y330 HydrophobicContact CD1-CE1 4.17Å; L318-Y330 WeakPolarHBondContact CD1-OH 3.47Å; L318-Y330 HydrophobicContact CG-CE1 4.24Å; L318-Y330 WeakPolarHBondContact CG-OH 3.5Å
319G94.1Very high90.6Very high15 Ų1534.2 Ų34.216%0.15517%0.167CC..EExtended strand (participates in β ladder)trans167.9-162.7-179.200000113.2C284 H285 H287C284-G319 WeakPolarHBondContact CA-O 3.48Å; C284-G319 WeakPolarHBondContact SG-CA 3.42Å; C284-G319 PolarHBondContact SG-N 2.79Å; C284-G319 VanDerWaalsContact SG-N 3.43Å; H285-G319 PolarHBondContact N-O 2.81Å; H285-G319 PolarHBondContact O-N 3.28Å; H287-G319 PolarHBondContact NE2-O 2.88Å
320S93Very high90.9Very high72 Ų7233.5 Ų33.550%0.50316%0.162SC..SBendtrans-90.9-8.517256.10000113.4
321K93.6Very high91.2Very high92 Ų9233.5 Ų33.540%0.416%0.162SC..SBendtrans-158.5162.317763.8175.9-177.21730111.4K249 V250 H287 N317 V323K249-K321 HydrophobicContact CB-CB 4.17Å; K249-K321 HydrophobicContact CG-CD 4.32Å; V250-K321 CarbonylContact O-C 3.3Å; V250-K321 VanDerWaalsContact O-CA 3.28Å; V250-K321 WeakPolarHBondContact O-CA 3.2Å; H287-K321 PolarHBondContact NE2-N 2.71Å; N317-K321 PolarHBondContact ND2-O 3.02Å; K321-V323 HydrophobicContact CG-CG1 4.3Å
322L91.8Very high91.3Very high14 Ų1433.2 Ų33.27%0.07316%0.16CC..  trans-66.9138.2168-163.962.6000110.3V250 H287 N317V250-L322 HydrophobicContact CB-CB 4.01Å; V250-L322 HydrophobicContact CG1-CB 4.04Å; V250-L322 HydrophobicContact CG1-CD2 3.98Å; V250-L322 PolarHBondContact O-N 3.42Å; H287-L322 HydrophobicContact CB-CB 4.19Å; H287-L322 HydrophobicContact CB-CD1 3.87Å; N317-L322 VanDerWaalsContact OD1-CA 3.27Å; N317-L322 WeakPolarHBondContact OD1-CA 3.35Å; N317-L322 WeakPolarHBondContact OD1-CD1 3.24Å
323V89.3Confident91.2Very high21 Ų2133.5 Ų33.513%0.12716%0.163CC..  trans-132.4155.7176.9-61.20000111.2H289 N317 K321 Y325 K326H289-V323 PolarHBondContact NE2-O 3.24Å; N317-V323 HydrophobicContact CB-CG2 4.2Å; N317-V323 PolarHBondContact OD1-N 3.48Å; K321-V323 HydrophobicContact CG-CG1 4.3Å; V323-Y325 HydrophobicContact CB-CD1 4.22Å; V323-Y325 HydrophobicContact CB-CE1 3.77Å; V323-Y325 HydrophobicContact CG1-CE1 4.13Å; V323-Y325 HydrophobicContact CG2-CD1 4.46Å; V323-Y325 HydrophobicContact CG2-CE1 4.07Å; V323-Y325 HydrophobicContact CG2-CE2 4.21Å; V323-K326 HydrophobicContact CG2-CB 4.05Å
324E81.5Confident91.1Very high112 Ų11234.6 Ų34.652%0.52317%0.168SC..SBendtrans-85.4-30.1-172.7-44.6-177.3167.800113.3D294D294-E324 HydrophobicContact CB-CB 4.08Å; D294-E324 VanDerWaalsContact CB-CD 3.45Å; D294-E324 HydrophobicContact CB-CG 3.48Å; D294-E324 VanDerWaalsContact CB-CG 3.48Å; D294-E324 WeakPolarHBondContact CB-OE1 3.48Å
325Y78.6Confident91.2Very high202 Ų20234.6 Ų34.679%0.79217%0.168SC*.SBendtrans-89.3-7.7-169.857.7-95.8000114.4V323V323-Y325 HydrophobicContact CB-CD1 4.22Å; V323-Y325 HydrophobicContact CB-CE1 3.77Å; V323-Y325 HydrophobicContact CG1-CE1 4.13Å; V323-Y325 HydrophobicContact CG2-CD1 4.46Å; V323-Y325 HydrophobicContact CG2-CE1 4.07Å; V323-Y325 HydrophobicContact CG2-CE2 4.21Å
326K83Confident91.3Very high83 Ų8334.5 Ų34.536%0.36117%0.168SC..  trans-127107.3-176.8-166-175.5-169-132.20109.7V323 E328V323-K326 HydrophobicContact CG2-CB 4.05Å; K326-E328 VanDerWaalsContact CE-CD 3.44Å; K326-E328 WeakPolarHBondContact CE-OE1 3.28Å; K326-E328 IonicContact NZ-OE1 2.83Å; K326-E328 PolarHBondContact NZ-OE1 3.35Å; K326-E328 IonicContact NZ-OE2 3.08Å; K326-E328 PolarHBondContact NZ-OE2 3.19Å
327E85.5Confident91.4Very high28 Ų2838 Ų3813%0.13118%0.183CC..  trans-120.6112.1-178.8-68.9165.9171.600108.9V298 E345V298-E327 WeakPolarHBondContact CG2-OE1 3.42Å; E327-E345 WeakPolarHBondContact O-CA 3.02Å; E327-E345 PolarHBondContact O-N 2.85Å
328E91.4Very high91.4Very high20 Ų2041.1 Ų41.19%0.09320%0.202CC..EExtended strand (participates in β ladder)trans-122.4143.2176.8-66.9166.2142.700108.5A315 G316 K326 Y330 Q341A315-E328 CarbonylContact C-O 3.53Å; A315-E328 WeakPolarHBondContact CA-O 3.24Å; G316-E328 PolarHBondContact N-O 3.1Å; G316-E328 PolarHBondContact O-N 3Å; K326-E328 VanDerWaalsContact CE-CD 3.44Å; K326-E328 WeakPolarHBondContact CE-OE1 3.28Å; K326-E328 IonicContact NZ-OE1 2.83Å; K326-E328 PolarHBondContact NZ-OE1 3.35Å; K326-E328 IonicContact NZ-OE2 3.08Å; K326-E328 PolarHBondContact NZ-OE2 3.19Å; E328-Y330 HydrophobicContact CB-CD2 4.48Å; E328-Y330 HydrophobicContact CB-CE2 3.58Å; E328-Y330 WeakPolarHBondContact O-CD2 3.11Å; E328-Y330 VanDerWaalsContact O-CE2 3.28Å; E328-Y330 WeakPolarHBondContact O-CE2 3.41Å; E328-Y330 PolarHBondContact OE2-OH 2.94Å; E328-Q341 VanDerWaalsContact CD-NE2 3.26Å; E328-Q341 PolarHBondContact OE1-NE2 2.86Å; E328-Q341 VanDerWaalsContact OE1-NE2 3.13Å
329M92.9Very high91.5Very high2 Ų240.2 Ų40.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-89.1127.2-179-64.3-65.3-72.600110.8M313 A315 V342 F343 E345 E346 H347 I349M313-M329 HydrophobicContact CE-CB 4.37Å; M313-M329 HydrophobicContact CE-CE 4.14Å; M313-M329 HydrophobicContact CG-CE 4.33Å; A315-M329 HydrophobicContact CB-SD 3.69Å; M329-V342 PolarHBondContact O-N 3.05Å; M329-F343 HydrophobicContact CB-CB 3.93Å; M329-F343 HydrophobicContact CB-CD2 4.13Å; M329-F343 HydrophobicContact CB-CG 4.49Å; M329-F343 HydrophobicContact CG-CB 4.05Å; M329-F343 HydrophobicContact CG-CD2 4.25Å; M329-F343 PolarHBondContact N-O 3.35Å; M329-E345 VanDerWaalsContact CG-O 3.3Å; M329-E345 WeakPolarHBondContact CG-O 3.48Å; M329-E346 HydrophobicContact SD-CG 4.38Å; M329-H347 WeakPolarHBondContact CE-O 3.42Å; M329-H347 HydrophobicContact CG-CB 4.5Å; M329-I349 HydrophobicContact CE-CD1 3.91Å; M329-I349 HydrophobicContact CE-CG1 3.74Å
330Y95.3Very high91.5Very high0 Ų042.8 Ų42.80%020%0.202CC..EExtended strand (participates in β ladder)trans-118.3146177.1-61.1-89.4000110.9P268 L286 L288 M313 G314 L318 E328 R340 Q341P268-Y330 HydrophobicContact CG-CD1 4.22Å; P268-Y330 HydrophobicContact CG-CE1 3.88Å; L286-Y330 HydrophobicContact CD1-CD1 3.88Å; L286-Y330 HydrophobicContact CD1-CD2 3.59Å; L286-Y330 HydrophobicContact CD1-CE1 3.97Å; L286-Y330 HydrophobicContact CD1-CE2 3.7Å; L286-Y330 HydrophobicContact CD1-CG 3.7Å; L286-Y330 HydrophobicContact CD2-CD1 4.45Å; L286-Y330 HydrophobicContact CD2-CG 4.31Å; L288-Y330 HydrophobicContact CD2-CD2 4.3Å; M313-Y330 VanDerWaalsContact CA-O 3.32Å; M313-Y330 WeakPolarHBondContact CA-O 3.48Å; M313-Y330 WeakPolarHBondContact CG-O 3.39Å; G314-Y330 PolarHBondContact N-O 3.07Å; G314-Y330 PolarHBondContact O-N 2.03Å; L318-Y330 HydrophobicContact CD1-CE1 4.17Å; L318-Y330 WeakPolarHBondContact CD1-OH 3.47Å; L318-Y330 HydrophobicContact CG-CE1 4.24Å; L318-Y330 WeakPolarHBondContact CG-OH 3.5Å; E328-Y330 HydrophobicContact CB-CD2 4.48Å; E328-Y330 HydrophobicContact CB-CE2 3.58Å; E328-Y330 WeakPolarHBondContact O-CD2 3.11Å; E328-Y330 VanDerWaalsContact O-CE2 3.28Å; E328-Y330 WeakPolarHBondContact O-CE2 3.41Å; E328-Y330 PolarHBondContact OE2-OH 2.94Å; Y330-R340 CarbonylContact C-O 3.44Å; Y330-R340 VanDerWaalsContact CA-O 3.28Å; Y330-R340 WeakPolarHBondContact CA-O 3.17Å; Y330-Q341 HydrophobicContact CD1-CB 3.98Å; Y330-Q341 HydrophobicContact CD1-CG 4.37Å; Y330-Q341 HydrophobicContact CE1-CB 3.72Å; Y330-Q341 HydrophobicContact CE1-CG 3.9Å
331I95.9Very high91.6Very high0 Ų040.4 Ų40.40%018%0.183CC..EExtended strand (participates in β ladder)trans-131.6143.8175-164.6171.1000110.9L311 I312 M313 R340 V342 I358L311-I331 HydrophobicContact CD2-CD1 4.31Å; I312-I331 WeakPolarHBondContact O-CA 3.32Å; M313-I331 HydrophobicContact CB-CB 4.44Å; M313-I331 HydrophobicContact CB-CD1 4.43Å; M313-I331 HydrophobicContact CB-CG1 4.06Å; M313-I331 HydrophobicContact CG-CB 4.12Å; M313-I331 HydrophobicContact CG-CD1 4.41Å; M313-I331 HydrophobicContact CG-CG1 4.18Å; M313-I331 HydrophobicContact SD-CB 4.44Å; M313-I331 HydrophobicContact SD-CD1 3.95Å; M313-I331 HydrophobicContact SD-CG1 4.36Å; I331-R340 HydrophobicContact CG2-CB 4.27Å; I331-R340 PolarHBondContact N-O 3.2Å; I331-R340 PolarHBondContact O-N 3.06Å; I331-V342 HydrophobicContact CB-CG2 3.96Å; I331-V342 HydrophobicContact CG2-CG2 3.32Å; I331-I358 HydrophobicContact CD1-CD1 3.6Å
332T95.8Very high91.6Very high0 Ų036.7 Ų36.70%017%0.167CC..EExtended strand (participates in β ladder)trans-123.5147.8163.2172.70000108.8L311 I312 D334 G336 T338 W339L311-T332 WeakPolarHBondContact CA-O 3.35Å; I312-T332 HydrophobicContact CB-CG2 3.51Å; I312-T332 HydrophobicContact CD1-CG2 4.11Å; I312-T332 HydrophobicContact CG1-CG2 4Å; I312-T332 PolarHBondContact N-O 3.43Å; I312-T332 VanDerWaalsContact N-O 3.11Å; I312-T332 WeakPolarHBondContact O-CG2 3.32Å; I312-T332 PolarHBondContact O-N 2.87Å; T332-D334 PolarHBondContact OG1-N 3.04Å; T332-D334 PolarHBondContact OG1-OD1 3.49Å; T332-G336 PolarHBondContact OG1-N 3.33Å; T332-T338 WeakPolarHBondContact CA-O 3.42Å; T332-T338 WeakPolarHBondContact CB-O 3.24Å; T332-T338 PolarHBondContact OG1-O 2.8Å; T332-W339 HydrophobicContact CG2-CD2 4.16Å; T332-W339 HydrophobicContact CG2-CE3 3.97Å; T332-W339 HydrophobicContact CG2-CH2 3.59Å; T332-W339 HydrophobicContact CG2-CZ2 3.76Å; T332-W339 HydrophobicContact CG2-CZ3 3.7Å
333S94.2Very high91.7Very high7 Ų736.5 Ų36.55%0.04917%0.166CC..SBendtrans-120.35176.865.60000112.7G310 E377 K462G310-S333 CarbonylContact O-C 3.58Å; G310-S333 WeakPolarHBondContact O-CA 3.27Å; S333-E377 VanDerWaalsContact CB-OE2 3.24Å; S333-E377 WeakPolarHBondContact CB-OE2 3.12Å; S333-K462 PolarHBondContact O-NZ 2.96Å; S333-K462 PolarHBondContact OG-NZ 3.4Å
334D93.5Very high91.6Very high23 Ų2342 Ų4212%0.12319%0.19CC..SBendtrans-130.333-178.563-6.7000111.1G310 T332 G336 K337 T338 W442G310-D334 PolarHBondContact O-N 2.68Å; T332-D334 PolarHBondContact OG1-N 3.04Å; T332-D334 PolarHBondContact OG1-OD1 3.49Å; D334-G336 PolarHBondContact O-N 2.88Å; D334-K337 PolarHBondContact OD1-N 2.98Å; D334-T338 PolarHBondContact OD1-N 2.81Å; D334-T338 PolarHBondContact OD1-OG1 3.42Å; D334-T338 WeakPolarHBondContact OD2-CB 3.07Å; D334-T338 WeakPolarHBondContact OD2-CG2 3.48Å; D334-T338 PolarHBondContact OD2-N 3.38Å; D334-T338 PolarHBondContact OD2-OG1 2.87Å; D334-W442 VanDerWaalsContact CA-CZ2 3.49Å; D334-W442 HydrophobicContact CB-CZ2 4.09Å
335C94.9Very high91.9Very high0 Ų041 Ų410%019%0.186CC..THydrogen-bonded Turntrans64.533.9172.7-155.20000115.1F256 G310 W442 L444F256-C335 HydrophobicContact CE1-CB 4.48Å; F256-C335 VanDerWaalsContact CE1-O 3.23Å; F256-C335 WeakPolarHBondContact CE1-O 3.41Å; F256-C335 VanDerWaalsContact CZ-O 3.3Å; F256-C335 WeakPolarHBondContact CZ-O 3.47Å; G310-C335 PolarHBondContact O-N 3.05Å; C335-W442 HydrophobicContact CB-CH2 4.09Å; C335-W442 HydrophobicContact CB-CZ2 4.3Å; C335-L444 HydrophobicContact CB-CD1 3.91Å
336G94.1Very high92.3Very high0 Ų031.8 Ų31.80%015%0.15CC..THydrogen-bonded Turntrans99.6-0.8173.300000114.9T332 D334 W339T332-G336 PolarHBondContact OG1-N 3.33Å; D334-G336 PolarHBondContact O-N 2.88Å; G336-W339 PolarHBondContact O-NE1 2.88Å
337K93.6Very high92.6Very high73 Ų7328 Ų2832%0.31713%0.133SC..SBendtrans-72.6-45.8176.6-176.4-179.8-169.7173.70112.6D334 T445 L447D334-K337 PolarHBondContact OD1-N 2.98Å; K337-T445 WeakPolarHBondContact CD-OG1 3.18Å; K337-T445 PolarHBondContact NZ-OG1 2.95Å; K337-L447 HydrophobicContact CB-CD2 4.35Å
338T93.9Very high92.6Very high71 Ų7128.7 Ų28.744%0.43614%0.137SC..SBendtrans-121.9124.9174.363.10000110.7T332 D334T332-T338 WeakPolarHBondContact CA-O 3.42Å; T332-T338 WeakPolarHBondContact CB-O 3.24Å; T332-T338 PolarHBondContact OG1-O 2.8Å; D334-T338 PolarHBondContact OD1-N 2.81Å; D334-T338 PolarHBondContact OD1-OG1 3.42Å; D334-T338 WeakPolarHBondContact OD2-CB 3.07Å; D334-T338 WeakPolarHBondContact OD2-CG2 3.48Å; D334-T338 PolarHBondContact OD2-N 3.38Å; D334-T338 PolarHBondContact OD2-OG1 2.87Å
339W95.3Very high92.6Very high10 Ų1028.3 Ų28.34%0.03814%0.135CC..EExtended strand (participates in β ladder)trans-105.8148.9177-69.392.4000110.6L265 P268 L286 L288 I312 T332 G336L265-W339 HydrophobicContact CD1-CZ2 4.1Å; L265-W339 HydrophobicContact CD2-CZ2 4.05Å; P268-W339 VanDerWaalsContact CB-O 3.32Å; P268-W339 WeakPolarHBondContact CB-O 3.37Å; L286-W339 HydrophobicContact CD2-CB 3.85Å; L286-W339 HydrophobicContact CD2-CD2 3.4Å; L286-W339 HydrophobicContact CD2-CE3 3.7Å; L286-W339 HydrophobicContact CD2-CG 3.46Å; L286-W339 VanDerWaalsContact CD2-CG 3.46Å; L286-W339 HydrophobicContact CD2-CZ3 4.41Å; L288-W339 HydrophobicContact CD1-CH2 3.54Å; L288-W339 HydrophobicContact CD1-CZ2 4.17Å; L288-W339 HydrophobicContact CD1-CZ3 3.98Å; I312-W339 HydrophobicContact CB-CH2 4.2Å; I312-W339 HydrophobicContact CG2-CH2 3.9Å; T332-W339 HydrophobicContact CG2-CD2 4.16Å; T332-W339 HydrophobicContact CG2-CE3 3.97Å; T332-W339 HydrophobicContact CG2-CH2 3.59Å; T332-W339 HydrophobicContact CG2-CZ2 3.76Å; T332-W339 HydrophobicContact CG2-CZ3 3.7Å; G336-W339 PolarHBondContact O-NE1 2.88Å
340R94.8Very high92.4Very high68 Ų6829 Ų2926%0.25714%0.139SC..EExtended strand (participates in β ladder)trans-135.7138.1174.9-63.5-179.5-65-1554.9109.6Y330 I331 E377Y330-R340 CarbonylContact C-O 3.44Å; Y330-R340 VanDerWaalsContact CA-O 3.28Å; Y330-R340 WeakPolarHBondContact CA-O 3.17Å; I331-R340 HydrophobicContact CG2-CB 4.27Å; I331-R340 PolarHBondContact N-O 3.2Å; I331-R340 PolarHBondContact O-N 3.06Å; R340-E377 PolarHBondContact NH2-O 3.09Å
341Q94.9Very high92.2Very high23 Ų2329.3 Ų29.311%0.10714%0.14CC..EExtended strand (participates in β ladder)trans-79.4137.7169.8-170.5178.51.900109.7E328 Y330E328-Q341 VanDerWaalsContact CD-NE2 3.26Å; E328-Q341 PolarHBondContact OE1-NE2 2.86Å; E328-Q341 VanDerWaalsContact OE1-NE2 3.13Å; Y330-Q341 HydrophobicContact CD1-CB 3.98Å; Y330-Q341 HydrophobicContact CD1-CG 4.37Å; Y330-Q341 HydrophobicContact CE1-CB 3.72Å; Y330-Q341 HydrophobicContact CE1-CG 3.9Å
342V94.2Very high92Very high13 Ų1329.3 Ų29.38%0.07914%0.14CC..EExtended strand (participates in β ladder)trans-123.1-46.6-172.9-177.10000112.8M272 M313 M329 I331 W381M272-V342 WeakPolarHBondContact CE-O 3.17Å; M313-V342 HydrophobicContact CE-CB 4.39Å; M313-V342 HydrophobicContact CE-CG1 4.33Å; M329-V342 PolarHBondContact O-N 3.05Å; I331-V342 HydrophobicContact CB-CG2 3.96Å; I331-V342 HydrophobicContact CG2-CG2 3.32Å; V342-W381 HydrophobicContact CG1-CD2 4.31Å; V342-W381 HydrophobicContact CG1-CZ2 3.56Å
343F92.5Very high91.8Very high10 Ų1029.3 Ų29.34%0.04414%0.14CC..EExtended strand (participates in β ladder)trans-134.6151.8-178.9-55.2-54.3000112M313 M329 H347 A360 K372 W381M313-F343 HydrophobicContact CE-CD2 4.21Å; M313-F343 HydrophobicContact CE-CE2 4.06Å; M329-F343 HydrophobicContact CB-CB 3.93Å; M329-F343 HydrophobicContact CB-CD2 4.13Å; M329-F343 HydrophobicContact CB-CG 4.49Å; M329-F343 HydrophobicContact CG-CB 4.05Å; M329-F343 HydrophobicContact CG-CD2 4.25Å; M329-F343 PolarHBondContact N-O 3.35Å; F343-H347 HydrophobicContact CD2-CB 4.17Å; F343-H347 AromaticContact CD2-CD2 3.88Å; F343-H347 AromaticContact CD2-CG 3.72Å; F343-H347 AromaticContact CD2-ND1 3.85Å; F343-H347 AromaticContact CG-CE1 3.77Å; F343-H347 AromaticContact CG-ND1 3.9Å; F343-H347 AromaticContact CG-NE2 3.89Å; F343-A360 HydrophobicContact CD2-CB 4.47Å; F343-A360 HydrophobicContact CE2-CB 3.48Å; F343-A360 VanDerWaalsContact CE2-CB 3.48Å; F343-A360 HydrophobicContact CZ-CB 3.94Å; F343-K372 HydrophobicContact CD1-CD 4.13Å; F343-K372 HydrophobicContact CE1-CD 3.38Å; F343-K372 HydrophobicContact CZ-CB 4.26Å; F343-K372 HydrophobicContact CZ-CD 3.63Å; F343-W381 HydrophobicContact CE1-CD2 4.09Å; F343-W381 HydrophobicContact CE1-CE3 4.43Å; F343-W381 HydrophobicContact CE1-CG 4.19Å; F343-W381 HydrophobicContact CE2-CD2 4.35Å; F343-W381 HydrophobicContact CE2-CE3 4.31Å; F343-W381 AromaticContact CE2-CH2 3.81Å; F343-W381 HydrophobicContact CE2-CH2 3.81Å; F343-W381 AromaticContact CE2-CZ2 3.93Å; F343-W381 HydrophobicContact CE2-CZ2 3.93Å; F343-W381 HydrophobicContact CE2-CZ3 4.03Å; F343-W381 AromaticContact CZ-CD2 3.46Å; F343-W381 HydrophobicContact CZ-CD2 3.46Å; F343-W381 VanDerWaalsContact CZ-CD2 3.46Å; F343-W381 AromaticContact CZ-CE2 3.66Å; F343-W381 AromaticContact CZ-CE3 3.52Å; F343-W381 HydrophobicContact CZ-CE3 3.52Å; F343-W381 HydrophobicContact CZ-CG 4.04Å; F343-W381 AromaticContact CZ-CH2 3.85Å; F343-W381 HydrophobicContact CZ-CH2 3.85Å; F343-W381 AromaticContact CZ-CZ2 3.86Å; F343-W381 HydrophobicContact CZ-CZ2 3.86Å; F343-W381 AromaticContact CZ-CZ3 3.7Å; F343-W381 HydrophobicContact CZ-CZ3 3.7Å
344E88.1Confident91.6Very high137 Ų13730 Ų3064%0.6414%0.142SC*.EExtended strand (participates in β ladder)trans-85.8134159.9-167.9172.6-16400107.4M272 H347M272-E344 HydrophobicContact SD-CB 4.3Å; E344-H347 PolarHBondContact O-CE1 2.97Å
345E87.5Confident91.5Very high92 Ų9229 Ų2943%0.4314%0.137SC..SBendtrans68.1162-173.7-54.4173.3177.300115.4E327 M329 H347 K362E327-E345 WeakPolarHBondContact O-CA 3.02Å; E327-E345 PolarHBondContact O-N 2.85Å; M329-E345 VanDerWaalsContact CG-O 3.3Å; M329-E345 WeakPolarHBondContact CG-O 3.48Å; E345-H347 PolarHBondContact O-ND1 2.99Å; E345-K362 WeakPolarHBondContact OE2-CE 3.47Å; E345-K362 IonicContact OE2-NZ 3.75Å; E345-K362 PolarHBondContact OE2-NZ 2.89Å
346E86.7Confident91.2Very high7 Ų729.1 Ų29.13%0.03314%0.139CC..  trans-67.9144-176.8-169.5160.5155.700112.6V298 S299 G300 A315 M329 D363V298-E346 WeakPolarHBondContact CB-OE2 3.3Å; V298-E346 HydrophobicContact CG1-CB 4.38Å; S299-E346 PolarHBondContact N-OE1 3.04Å; G300-E346 PolarHBondContact N-OE1 3.32Å; G300-E346 PolarHBondContact N-OE2 3.24Å; A315-E346 HydrophobicContact CB-CG 4.46Å; M329-E346 HydrophobicContact SD-CG 4.38Å; E346-D363 HydrophobicContact CB-CB 4.43Å; E346-D363 HydrophobicContact CG-CB 4.39Å; E346-D363 PolarHBondContact O-N 3.05Å
347H88.9Confident91.2Very high3 Ų329.1 Ų29.11%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-135.4134.4175.2-7060.1000109M329 F343 E344 E345 I349 A360 I361 K362 K372M329-H347 WeakPolarHBondContact CE-O 3.42Å; M329-H347 HydrophobicContact CG-CB 4.5Å; F343-H347 HydrophobicContact CD2-CB 4.17Å; F343-H347 AromaticContact CD2-CD2 3.88Å; F343-H347 AromaticContact CD2-CG 3.72Å; F343-H347 AromaticContact CD2-ND1 3.85Å; F343-H347 AromaticContact CG-CE1 3.77Å; F343-H347 AromaticContact CG-ND1 3.9Å; F343-H347 AromaticContact CG-NE2 3.89Å; E344-H347 PolarHBondContact O-CE1 2.97Å; E345-H347 PolarHBondContact O-ND1 2.99Å; H347-I349 HydrophobicContact CB-CD1 4.15Å; H347-I349 WeakPolarHBondContact O-CG1 3.35Å; H347-I349 PolarHBondContact O-N 3.5Å; H347-A360 HydrophobicContact CB-CB 4.26Å; H347-I361 CarbonylContact C-O 3.19Å; H347-I361 VanDerWaalsContact C-O 3.3Å; H347-I361 WeakPolarHBondContact CA-O 3.41Å; H347-I361 VanDerWaalsContact CB-O 3.3Å; H347-I361 WeakPolarHBondContact CB-O 3.38Å; H347-K362 PolarHBondContact CD2-N 2.89Å; H347-K372 PolarHBondContact NE2-NZ 2.9Å
348H87.1Confident91.2Very high44 Ų4425.7 Ų25.720%0.20413%0.125CC..EExtended strand (participates in β ladder)trans-64.5128.8166.6-61-54.7000110.3A360 I361 D363 L396H348-A360 VanDerWaalsContact O-CA 3.31Å; H348-A360 WeakPolarHBondContact O-CA 3.31Å; H348-I361 PolarHBondContact N-O 3.13Å; H348-I361 PolarHBondContact O-N 3.05Å; H348-D363 IonicContact CE1-OD1 2.8Å; H348-D363 IonicContact CE1-OD2 3.73Å; H348-D363 PolarHBondContact CE1-OD2 2.74Å; H348-D363 IonicContact ND1-OD2 3.36Å; H348-D363 IonicContact NE2-OD1 3.35Å; H348-D363 IonicContact NE2-OD2 3.44Å; H348-L396 HydrophobicContact CB-CD1 3.52Å; H348-L396 HydrophobicContact CB-CG 4.38Å
349I89.8Confident91.1Very high12 Ų1222.3 Ų22.36%0.06210%0.104CC..EExtended strand (participates in β ladder)trans-111.3133.9-176.8-53.8-54.6000110.7M313 M329 H347 Y351 I358 V359 A360M313-I349 HydrophobicContact CE-CD1 3.55Å; M313-I349 HydrophobicContact CE-CG1 4.2Å; M313-I349 HydrophobicContact CG-CG1 4.24Å; M313-I349 HydrophobicContact SD-CD1 3.65Å; M313-I349 HydrophobicContact SD-CG1 3.8Å; M313-I349 HydrophobicContact SD-CG2 3.93Å; M329-I349 HydrophobicContact CE-CD1 3.91Å; M329-I349 HydrophobicContact CE-CG1 3.74Å; H347-I349 HydrophobicContact CB-CD1 4.15Å; H347-I349 WeakPolarHBondContact O-CG1 3.35Å; H347-I349 PolarHBondContact O-N 3.5Å; I349-Y351 HydrophobicContact CG2-CE1 4.42Å; I349-Y351 HydrophobicContact CG2-CE2 4.31Å; I349-I358 HydrophobicContact CG2-CG2 3.9Å; I349-V359 WeakPolarHBondContact CA-O 3.34Å; I349-A360 HydrophobicContact CD1-CB 3.68Å
350L90.2Very high91Very high17 Ų1721.9 Ų21.99%0.08910%0.102CC..EExtended strand (participates in β ladder)trans-129.3131.5171.1-170.170.5000110.5L352 V359 L396 M407L350-L352 HydrophobicContact CD2-CD2 4.01Å; L350-L352 HydrophobicContact CG-CD2 4.33Å; L350-V359 HydrophobicContact CB-CB 4.48Å; L350-V359 PolarHBondContact N-O 3.49Å; L350-V359 PolarHBondContact O-N 3.47Å; L350-L396 HydrophobicContact CB-CD1 4.36Å; L350-M407 HydrophobicContact CD2-CB 3.76Å; L350-M407 HydrophobicContact CD2-CE 3.72Å
351Y90.9Very high90.8Very high5 Ų518.7 Ų18.72%0.029%0.09CC..EExtended strand (participates in β ladder)trans-97.1133.8173.3-63.8-68.8000110.2H303 K305 L311 M313 I349 I358H303-Y351 HydrophobicContact CB-CE2 4.09Å; K305-Y351 HydrophobicContact CB-CD2 4.45Å; K305-Y351 HydrophobicContact CG-CD2 3.67Å; K305-Y351 HydrophobicContact CG-CE2 4.42Å; K305-Y351 HydrophobicContact CG-CG 4.41Å; L311-Y351 HydrophobicContact CB-CE1 4.43Å; L311-Y351 HydrophobicContact CD1-CE1 4.25Å; M313-Y351 VanDerWaalsContact CB-OH 3.29Å; M313-Y351 WeakPolarHBondContact CB-OH 3.36Å; I349-Y351 HydrophobicContact CG2-CE1 4.42Å; I349-Y351 HydrophobicContact CG2-CE2 4.31Å; Y351-I358 HydrophobicContact CD1-CG1 3.98Å; Y351-I358 HydrophobicContact CD1-CG2 4.33Å; Y351-I358 HydrophobicContact CE1-CD1 4.02Å; Y351-I358 HydrophobicContact CE1-CG1 3.93Å; Y351-I358 HydrophobicContact CE1-CG2 4.06Å
352L91.4Very high90.6Very high1 Ų121.1 Ų21.11%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-123.9154.6174.3-57.2174000110L350 H354 G355 G356 V357 V359 L405 M407 F426L350-L352 HydrophobicContact CD2-CD2 4.01Å; L350-L352 HydrophobicContact CG-CD2 4.33Å; L352-H354 PolarHBondContact O-N 3.4Å; L352-G355 CarbonylContact O-C 3.58Å; L352-G355 PolarHBondContact O-N 3.46Å; L352-G356 PolarHBondContact O-N 3.2Å; L352-V357 HydrophobicContact CB-CB 4.25Å; L352-V357 PolarHBondContact N-O 3.36Å; L352-V357 PolarHBondContact O-N 2.94Å; L352-V357 VanDerWaalsContact O-N 3.07Å; L352-V359 HydrophobicContact CD1-CG2 4.05Å; L352-L405 HydrophobicContact CB-CD2 4.08Å; L352-M407 HydrophobicContact CD1-CB 4.32Å; L352-M407 HydrophobicContact CD1-SD 4.47Å; L352-M407 HydrophobicContact CD2-CB 4.34Å; L352-F426 HydrophobicContact CD1-CD2 3.81Å; L352-F426 HydrophobicContact CD1-CE2 4.07Å
353D92.3Very high90.2Very high0 Ų022.2 Ų22.20%011%0.106CC..THydrogen-bonded Turntrans48.656.2179.6-175.540.6000112.9G355 G356 D402 T404 L405 R463 V470 K471 G472D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3.31Å; D353-G356 WeakPolarHBondContact O-CA 3.32Å; D353-G356 PolarHBondContact O-N 3.26Å; D353-D402 CarbonylContact C-O 3.32Å; D353-D402 WeakPolarHBondContact CA-O 3.41Å; D353-D402 PolarHBondContact N-O 2.96Å; D353-T404 PolarHBondContact N-O 2.89Å; D353-T404 VanDerWaalsContact N-O 3.15Å; D353-L405 HydrophobicContact CB-CD2 3.67Å; D353-L405 HydrophobicContact CB-CG 4.03Å; D353-R463 IonicContact OD2-NH1 3.51Å; D353-V470 WeakPolarHBondContact OD1-CG1 3.47Å; D353-V470 WeakPolarHBondContact OD2-CA 3.4Å; D353-K471 WeakPolarHBondContact O-CD 3.41Å; D353-K471 WeakPolarHBondContact OD1-CB 3.37Å; D353-K471 PolarHBondContact OD1-N 3.44Å; D353-K471 VanDerWaalsContact OD1-N 3.09Å; D353-K471 PolarHBondContact OD2-N 2.99Å; D353-G472 PolarHBondContact OD1-N 3.43Å
354H89.6Confident89.6Confident20 Ų2023.9 Ų23.99%0.09312%0.117CC..THydrogen-bonded Turntrans52.544.8-178.2-53.8-95.1000112.8S307 L352 G356 D402 E403 K471 Y475S307-H354 WeakPolarHBondContact CB-ND1 3.2Å; S307-H354 WeakPolarHBondContact O-CB 3.42Å; L352-H354 PolarHBondContact O-N 3.4Å; H354-G356 VanDerWaalsContact C-N 3.3Å; H354-G356 PolarHBondContact O-N 3.1Å; H354-D402 PolarHBondContact N-O 2.88Å; H354-E403 WeakPolarHBondContact NE2-CG 3.43Å; H354-K471 HydrophobicContact CB-CD 4.16Å; H354-K471 PolarHBondContact O-NZ 3.37Å; H354-Y475 HydrophobicContact CB-CD1 3.85Å; H354-Y475 HydrophobicContact CB-CE1 4.08Å; H354-Y475 AromaticContact CG-CD1 3.82Å
355G90.2Very high89.3Confident2 Ų222.4 Ų22.42%0.02112%0.122CC..THydrogen-bonded Turntrans72.618.4-175.400000114.4L352 D353 V357L352-G355 CarbonylContact O-C 3.58Å; L352-G355 PolarHBondContact O-N 3.46Å; D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3.31Å; G355-V357 VanDerWaalsContact C-N 3.35Å
356G90.1Very high89.2Confident4 Ų423.2 Ų23.24%0.04113%0.128CC..THydrogen-bonded Turntrans-72-28172.700000113.1L352 D353 H354 R463L352-G356 PolarHBondContact O-N 3.2Å; D353-G356 WeakPolarHBondContact O-CA 3.32Å; D353-G356 PolarHBondContact O-N 3.26Å; H354-G356 VanDerWaalsContact C-N 3.3Å; H354-G356 PolarHBondContact O-N 3.1Å; G356-R463 PolarHBondContact O-NH2 2.94Å
357V92.4Very high89.3Confident0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-129.3132.3170.3-174.70000108.7L352 G355 V359 F373 S374 I375 L405 F430L352-V357 HydrophobicContact CB-CB 4.25Å; L352-V357 PolarHBondContact N-O 3.36Å; L352-V357 PolarHBondContact O-N 2.94Å; L352-V357 VanDerWaalsContact O-N 3.07Å; G355-V357 VanDerWaalsContact C-N 3.35Å; V357-V359 HydrophobicContact CG1-CG2 4.15Å; V357-F373 HydrophobicContact CG1-CB 4.4Å; V357-S374 WeakPolarHBondContact CA-O 3.39Å; V357-I375 HydrophobicContact CG1-CG2 4.42Å; V357-I375 HydrophobicContact CG2-CG2 4.21Å; V357-L405 HydrophobicContact CB-CD2 4.31Å; V357-L405 HydrophobicContact CG2-CD2 3.61Å; V357-F430 HydrophobicContact CG2-CE2 3.61Å; V357-F430 HydrophobicContact CG2-CZ 3.53Å
358I94Very high89.2Confident1 Ų126.1 Ų26.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-108.1121.3173.6-48.2-179.2000106.8L311 M313 I331 I349 Y351 F373 S374 W381L311-I358 HydrophobicContact CD2-CD1 4.38Å; M313-I358 HydrophobicContact SD-CG2 4.26Å; I331-I358 HydrophobicContact CD1-CD1 3.6Å; I349-I358 HydrophobicContact CG2-CG2 3.9Å; Y351-I358 HydrophobicContact CD1-CG1 3.98Å; Y351-I358 HydrophobicContact CD1-CG2 4.33Å; Y351-I358 HydrophobicContact CE1-CD1 4.02Å; Y351-I358 HydrophobicContact CE1-CG1 3.93Å; Y351-I358 HydrophobicContact CE1-CG2 4.06Å; I358-F373 CarbonylContact O-C 3.58Å; I358-F373 WeakPolarHBondContact O-CA 3.2Å; I358-S374 PolarHBondContact N-O 2.82Å; I358-S374 PolarHBondContact O-N 2.99Å; I358-W381 HydrophobicContact CB-CH2 4.15Å; I358-W381 HydrophobicContact CG2-CH2 3.7Å; I358-W381 HydrophobicContact CG2-CZ2 4.5Å; I358-W381 HydrophobicContact CG2-CZ3 4.42Å
359V93.4Very high89.4Confident0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-106.7136.9174.7-175.90000108.6I349 L350 L352 V357 L371 K372 F373 M407 F426I349-V359 WeakPolarHBondContact CA-O 3.34Å; L350-V359 HydrophobicContact CB-CB 4.48Å; L350-V359 PolarHBondContact N-O 3.49Å; L350-V359 PolarHBondContact O-N 3.47Å; L352-V359 HydrophobicContact CD1-CG2 4.05Å; V357-V359 HydrophobicContact CG1-CG2 4.15Å; V359-L371 HydrophobicContact CG1-CD1 4.16Å; V359-K372 WeakPolarHBondContact CA-O 3.36Å; V359-F373 HydrophobicContact CG2-CB 4.33Å; V359-M407 HydrophobicContact CB-CE 4.38Å; V359-M407 HydrophobicContact CB-SD 4.16Å; V359-M407 HydrophobicContact CG1-CE 3.89Å; V359-M407 HydrophobicContact CG1-SD 3.78Å; V359-M407 HydrophobicContact CG2-SD 3.85Å; V359-F426 HydrophobicContact CG2-CE2 3.91Å; V359-F426 HydrophobicContact CG2-CZ 4.02Å
360A93.1Very high89.5Confident0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-131.1131.4177.700000110.8F343 H347 H348 I349 K372 W381F343-A360 HydrophobicContact CD2-CB 4.47Å; F343-A360 HydrophobicContact CE2-CB 3.48Å; F343-A360 VanDerWaalsContact CE2-CB 3.48Å; F343-A360 HydrophobicContact CZ-CB 3.94Å; H347-A360 HydrophobicContact CB-CB 4.26Å; H348-A360 VanDerWaalsContact O-CA 3.31Å; H348-A360 WeakPolarHBondContact O-CA 3.31Å; I349-A360 HydrophobicContact CD1-CB 3.68Å; A360-K372 HydrophobicContact CB-CB 4.35Å; A360-K372 PolarHBondContact N-O 3.24Å; A360-K372 PolarHBondContact O-N 2.86Å; A360-W381 HydrophobicContact CB-CE3 4.45Å; A360-W381 HydrophobicContact CB-CH2 3.87Å; A360-W381 HydrophobicContact CB-CZ3 3.54Å
361I90.4Very high89.6Confident1 Ų130.1 Ų30.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-123.6136.3170.6-69.3-144.8000108.5H347 H348 D363 L368 L371 F386 V393 L396 F409H347-I361 CarbonylContact C-O 3.19Å; H347-I361 VanDerWaalsContact C-O 3.3Å; H347-I361 WeakPolarHBondContact CA-O 3.41Å; H347-I361 VanDerWaalsContact CB-O 3.3Å; H347-I361 WeakPolarHBondContact CB-O 3.38Å; H348-I361 PolarHBondContact N-O 3.13Å; H348-I361 PolarHBondContact O-N 3.05Å; I361-D363 PolarHBondContact O-N 3.06Å; I361-L368 HydrophobicContact CG2-CD1 3.89Å; I361-L371 HydrophobicContact CD1-CB 4.09Å; I361-L371 HydrophobicContact CG1-CB 4.2Å; I361-F386 HydrophobicContact CD1-CE1 4.05Å; I361-V393 HydrophobicContact CG2-CB 4.5Å; I361-V393 HydrophobicContact CG2-CG1 4.41Å; I361-V393 HydrophobicContact CG2-CG2 4.21Å; I361-L396 HydrophobicContact CD1-CD2 4.48Å; I361-F409 HydrophobicContact CD1-CD1 3.59Å; I361-F409 HydrophobicContact CD1-CE1 3Å; I361-F409 HydrophobicContact CD1-CZ 3.74Å; I361-F409 HydrophobicContact CG1-CE1 3.77Å; I361-F409 HydrophobicContact CG1-CZ 4.44Å
362K89.2Confident89.8Confident75 Ų7532.1 Ų32.133%0.32617%0.173SC..EExtended strand (participates in β ladder)trans-61.6128.6177.8-174.3174.3179.5168.20109.9E345 H347 T364 L368E345-K362 WeakPolarHBondContact OE2-CE 3.47Å; E345-K362 IonicContact OE2-NZ 3.75Å; E345-K362 PolarHBondContact OE2-NZ 2.89Å; H347-K362 PolarHBondContact CD2-N 2.89Å; K362-T364 HydrophobicContact CD-CG2 4.17Å; K362-T364 HydrophobicContact CG-CG2 4.03Å; K362-T364 PolarHBondContact O-N 2.82Å; K362-L368 HydrophobicContact CB-CD1 4.13Å; K362-L368 WeakPolarHBondContact O-CD1 3.37Å
363D85.5Confident90Very high36 Ų3633.8 Ų33.819%0.19318%0.18CC..  trans-83.6112172.3-170.7-9.4000108E346 H348 I361E346-D363 HydrophobicContact CB-CB 4.43Å; E346-D363 HydrophobicContact CG-CB 4.39Å; E346-D363 PolarHBondContact O-N 3.05Å; H348-D363 IonicContact CE1-OD1 2.8Å; H348-D363 IonicContact CE1-OD2 3.73Å; H348-D363 PolarHBondContact CE1-OD2 2.74Å; H348-D363 IonicContact ND1-OD2 3.36Å; H348-D363 IonicContact NE2-OD1 3.35Å; H348-D363 IonicContact NE2-OD2 3.44Å; I361-D363 PolarHBondContact O-N 3.06Å
364T81.8Confident90Very high44 Ų4433.8 Ų33.827%0.2718%0.18SC..  trans-162.1151.6-176.8-1770000112.1K362 I366 L368K362-T364 HydrophobicContact CD-CG2 4.17Å; K362-T364 HydrophobicContact CG-CG2 4.03Å; K362-T364 PolarHBondContact O-N 2.82Å; T364-I366 HydrophobicContact CG2-CB 4.37Å; T364-I366 WeakPolarHBondContact CG2-O 3.27Å; T364-I366 PolarHBondContact O-N 2.85Å; T364-I366 VanDerWaalsContact O-N 3.16Å; T364-I366 PolarHBondContact OG1-N 2.9Å; T364-L368 HydrophobicContact CG2-CD1 3.88Å; T364-L368 HydrophobicContact CG2-CD2 3.71Å; T364-L368 HydrophobicContact CG2-CG 4.01Å
365S81.1Confident90.1Very high107 Ų10734.6 Ų34.675%0.74819%0.185SC*.SBendtrans-747.2174.158.90000114.4F392S365-F392 VanDerWaalsContact O-CE1 3.27Å; S365-F392 WeakPolarHBondContact O-CE1 3.4Å
366I85.5Confident90.1Very high109 Ų10935.5 Ų35.556%0.55919%0.189SC*.SBendtrans-109.1136.1-179.8-57.9174.8000108.5T364 L368T364-I366 HydrophobicContact CG2-CB 4.37Å; T364-I366 WeakPolarHBondContact CG2-O 3.27Å; T364-I366 PolarHBondContact O-N 2.85Å; T364-I366 VanDerWaalsContact O-N 3.16Å; T364-I366 PolarHBondContact OG1-N 2.9Å; I366-L368 WeakPolarHBondContact O-CG 2.93Å
367P87.5Confident90.2Very high45 Ų4536.3 Ų36.329%0.29219%0.192SC..  trans-68.6139.4-176.829.5-35.6000111.7V391 F392P367-V391 WeakPolarHBondContact CA-O 3.24Å; P367-F392 HydrophobicContact CB-CD1 4.37Å; P367-F392 HydrophobicContact CB-CD2 3.9Å; P367-F392 HydrophobicContact CB-CE1 4.33Å; P367-F392 HydrophobicContact CB-CE2 3.83Å; P367-F392 HydrophobicContact CB-CG 4.18Å; P367-F392 HydrophobicContact CB-CZ 4.06Å; P367-F392 HydrophobicContact CG-CE1 4.37Å; P367-F392 HydrophobicContact CG-CE2 3.99Å; P367-F392 HydrophobicContact CG-CZ 3.89Å
368L88.6Confident90.2Very high25 Ų2536.6 Ų36.613%0.13119%0.194CC..BIsolated β-bridgetrans-121.4157.3-171.4-52.1166.3000111I361 K362 T364 I366 S390 V391I361-L368 HydrophobicContact CG2-CD1 3.89Å; K362-L368 HydrophobicContact CB-CD1 4.13Å; K362-L368 WeakPolarHBondContact O-CD1 3.37Å; T364-L368 HydrophobicContact CG2-CD1 3.88Å; T364-L368 HydrophobicContact CG2-CD2 3.71Å; T364-L368 HydrophobicContact CG2-CG 4.01Å; I366-L368 WeakPolarHBondContact O-CG 2.93Å; L368-S390 WeakPolarHBondContact O-CA 3.35Å; L368-V391 PolarHBondContact N-O 3.07Å; L368-V391 PolarHBondContact O-N 2.99Å
369K90.4Very high90Very high91 Ų9142.2 Ų42.240%0.39622%0.216SC..  trans-134.35.1171.765.8-176.9179.1-174.90113.6N385 F386 T387K369-N385 CarbonylContact O-C 3.59Å; K369-N385 VanDerWaalsContact O-CA 3.27Å; K369-N385 WeakPolarHBondContact O-CA 3.48Å; K369-F386 VanDerWaalsContact C-CD1 3.43Å; K369-F386 VanDerWaalsContact O-CD1 3.29Å; K369-F386 WeakPolarHBondContact O-CD1 3.33Å; K369-F386 PolarHBondContact O-N 3.39Å; K369-F386 VanDerWaalsContact O-N 3.09Å; K369-T387 HydrophobicContact CB-CG2 3.9Å
370I92.6Very high89.9Confident67 Ų6745.9 Ų45.934%0.34424%0.238SC..EExtended strand (participates in β ladder)trans-109.8139.7-175.766.9174.5000109.7I383 H384I370-I383 HydrophobicContact CB-CG2 4.18Å; I370-I383 HydrophobicContact CG2-CG2 4.45Å; I370-H384 CarbonylContact C-O 3.53Å; I370-H384 WeakPolarHBondContact CA-O 3.07Å
371L92.6Very high89.9Confident0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-118.8146.7166.780.993.1000108.3V359 I361 F373 I383 H384 F386 F409 F426V359-L371 HydrophobicContact CG1-CD1 4.16Å; I361-L371 HydrophobicContact CD1-CB 4.09Å; I361-L371 HydrophobicContact CG1-CB 4.2Å; L371-F373 HydrophobicContact CD1-CB 4.01Å; L371-F373 HydrophobicContact CD1-CD1 3.79Å; L371-F373 HydrophobicContact CD1-CG 4.33Å; L371-I383 WeakPolarHBondContact O-CA 3.3Å; L371-H384 HydrophobicContact CD1-CB 4.37Å; L371-H384 HydrophobicContact CD2-CB 4.22Å; L371-H384 HydrophobicContact CG-CB 4.03Å; L371-H384 PolarHBondContact N-O 2.97Å; L371-H384 PolarHBondContact O-N 2.9Å; L371-F386 HydrophobicContact CB-CD1 4.07Å; L371-F386 HydrophobicContact CD2-CB 3.67Å; L371-F386 HydrophobicContact CD2-CD1 4.47Å; L371-F386 HydrophobicContact CD2-CG 4.49Å; L371-F409 HydrophobicContact CB-CZ 4.4Å; L371-F409 HydrophobicContact CD2-CZ 4.42Å; L371-F426 HydrophobicContact CD1-CZ 4.16Å
372K95Very high90.1Very high47 Ų4752 Ų5220%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-107.5140.3170.3-58.2179.3-175.3163.60108.7F343 H347 V359 A360 W381 N382 I383F343-K372 HydrophobicContact CD1-CD 4.13Å; F343-K372 HydrophobicContact CE1-CD 3.38Å; F343-K372 HydrophobicContact CZ-CB 4.26Å; F343-K372 HydrophobicContact CZ-CD 3.63Å; H347-K372 PolarHBondContact NE2-NZ 2.9Å; V359-K372 WeakPolarHBondContact CA-O 3.36Å; A360-K372 HydrophobicContact CB-CB 4.35Å; A360-K372 PolarHBondContact N-O 3.24Å; A360-K372 PolarHBondContact O-N 2.86Å; K372-W381 HydrophobicContact CB-CE3 3.93Å; K372-W381 HydrophobicContact CB-CZ3 4.4Å; K372-N382 CarbonylContact C-O 3.6Å; K372-N382 VanDerWaalsContact CA-O 3.27Å; K372-N382 WeakPolarHBondContact CA-O 3.45Å; K372-I383 HydrophobicContact CG-CG1 4.4Å
373F94.4Very high90.3Very high36 Ų3654 Ų5416%0.15828%0.28CS..EExtended strand (participates in β ladder)trans-141.6148.4174.272.8-82.1000112.1V357 I358 V359 L371 I375 N382 H384 F426V357-F373 HydrophobicContact CG1-CB 4.4Å; I358-F373 CarbonylContact O-C 3.58Å; I358-F373 WeakPolarHBondContact O-CA 3.2Å; V359-F373 HydrophobicContact CG2-CB 4.33Å; L371-F373 HydrophobicContact CD1-CB 4.01Å; L371-F373 HydrophobicContact CD1-CD1 3.79Å; L371-F373 HydrophobicContact CD1-CG 4.33Å; F373-I375 HydrophobicContact CD2-CG2 4.1Å; F373-I375 HydrophobicContact CE2-CG2 4.24Å; F373-N382 HydrophobicContact CD1-CB 4Å; F373-N382 HydrophobicContact CE1-CB 3.49Å; F373-N382 VanDerWaalsContact CE1-CB 3.49Å; F373-N382 HydrophobicContact CE2-CB 4.06Å; F373-N382 HydrophobicContact CG-CB 4.5Å; F373-N382 HydrophobicContact CZ-CB 3.52Å; F373-N382 PolarHBondContact N-O 2.87Å; F373-N382 PolarHBondContact O-N 2.77Å; F373-H384 HydrophobicContact CE1-CB 4.19Å; F373-F426 HydrophobicContact CB-CE1 4.18Å; F373-F426 HydrophobicContact CB-CZ 4.17Å; F373-F426 HydrophobicContact CD1-CE1 4.13Å; F373-F426 AromaticContact CD2-CE1 3.87Å; F373-F426 HydrophobicContact CD2-CE1 3.87Å; F373-F426 HydrophobicContact CE2-CE1 4.27Å; F373-F426 AromaticContact CG-CE1 3.79Å; F373-F426 HydrophobicContact CG-CE1 3.79Å; F373-F426 HydrophobicContact CG-CZ 4.22Å
374S93.6Very high90.6Very high0 Ų057.1 Ų57.10%029%0.293CS..EExtended strand (participates in β ladder)trans-129.1144.5177.1172.70000109.9V357 I358 D376 G378 T380V357-S374 WeakPolarHBondContact CA-O 3.39Å; I358-S374 PolarHBondContact N-O 2.82Å; I358-S374 PolarHBondContact O-N 2.99Å; S374-D376 PolarHBondContact OG-N 2.85Å; S374-D376 PolarHBondContact OG-OD1 2.87Å; S374-G378 WeakPolarHBondContact OG-CA 3.12Å; S374-G378 PolarHBondContact OG-N 3.13Å; S374-T380 WeakPolarHBondContact CA-O 3.39Å; S374-T380 WeakPolarHBondContact CB-O 3.39Å; S374-T380 PolarHBondContact OG-O 3.06Å
375I91.3Very high91.2Very high36 Ų3659.6 Ų59.619%0.18531%0.305CS..SBendtrans-120.81.7-178.963.3172.2000112.3V357 F373 F430 R463 F468V357-I375 HydrophobicContact CG1-CG2 4.42Å; V357-I375 HydrophobicContact CG2-CG2 4.21Å; F373-I375 HydrophobicContact CD2-CG2 4.1Å; F373-I375 HydrophobicContact CE2-CG2 4.24Å; I375-F430 HydrophobicContact CB-CZ 4.32Å; I375-F430 HydrophobicContact CG2-CZ 3.73Å; I375-R463 PolarHBondContact O-NH2 2.86Å; I375-F468 HydrophobicContact CD1-CD1 3.75Å; I375-F468 HydrophobicContact CD1-CE1 3.2Å; I375-F468 HydrophobicContact CD1-CZ 4.03Å
376D90.6Very high91.6Very high21 Ų2155.5 Ų55.511%0.11227%0.274CS..SBendtrans-127.539.4-174.761.5-5.1000110.2S374 G378 R379 T380S374-D376 PolarHBondContact OG-N 2.85Å; S374-D376 PolarHBondContact OG-OD1 2.87Å; D376-G378 VanDerWaalsContact C-N 3.29Å; D376-G378 PolarHBondContact O-N 2.81Å; D376-R379 HydrophobicContact CB-CB 4.38Å; D376-R379 WeakPolarHBondContact O-CB 2.95Å; D376-R379 WeakPolarHBondContact O-CD 3.09Å; D376-R379 WeakPolarHBondContact O-CG 3.37Å; D376-R379 PolarHBondContact O-N 3.47Å; D376-R379 PolarHBondContact OD1-N 3.26Å; D376-R379 WeakPolarHBondContact OD2-CB 3.37Å; D376-T380 VanDerWaalsContact CG-OG1 3.27Å; D376-T380 PolarHBondContact OD1-N 3.08Å; D376-T380 PolarHBondContact OD1-OG1 3.19Å; D376-T380 VanDerWaalsContact OD2-CB 3.31Å; D376-T380 WeakPolarHBondContact OD2-CB 3.44Å; D376-T380 WeakPolarHBondContact OD2-CG2 3.44Å; D376-T380 PolarHBondContact OD2-N 2.92Å; D376-T380 VanDerWaalsContact OD2-N 3.11Å; D376-T380 PolarHBondContact OD2-OG1 3.48Å
377E92.2Very high91.7Very high22 Ų2251.4 Ų51.410%0.10325%0.253CS..THydrogen-bonded Turntrans59.137.3174.9-57.3177.9171.900113.5L311 S333 R340 K462L311-E377 HydrophobicContact CD2-CB 4.09Å; L311-E377 HydrophobicContact CD2-CG 4.36Å; S333-E377 VanDerWaalsContact CB-OE2 3.24Å; S333-E377 WeakPolarHBondContact CB-OE2 3.12Å; R340-E377 PolarHBondContact NH2-O 3.09Å; E377-K462 WeakPolarHBondContact OE1-CE 3.37Å; E377-K462 IonicContact OE1-NZ 3.53Å; E377-K462 WeakPolarHBondContact OE2-CE 3.03Å; E377-K462 IonicContact OE2-NZ 2.67Å; E377-K462 PolarHBondContact OE2-NZ 2.88Å
378G91.9Very high91.7Very high5 Ų554.4 Ų54.45%0.05228%0.276CS..THydrogen-bonded Turntrans83.212.3175.900000114.9S374 D376 W381S374-G378 WeakPolarHBondContact OG-CA 3.12Å; S374-G378 PolarHBondContact OG-N 3.13Å; D376-G378 VanDerWaalsContact C-N 3.29Å; D376-G378 PolarHBondContact O-N 2.81Å; G378-W381 PolarHBondContact O-NE1 3.33Å
379R89.9Confident91.6Very high119 Ų11956.6 Ų56.645%0.44929%0.29SS..SBendtrans-72.6-46.3175.5-71.7169.8-167.6-154-4.9111.6D376 D465D376-R379 HydrophobicContact CB-CB 4.38Å; D376-R379 WeakPolarHBondContact O-CB 2.95Å; D376-R379 WeakPolarHBondContact O-CD 3.09Å; D376-R379 WeakPolarHBondContact O-CG 3.37Å; D376-R379 PolarHBondContact O-N 3.47Å; D376-R379 PolarHBondContact OD1-N 3.26Å; D376-R379 WeakPolarHBondContact OD2-CB 3.37Å; R379-D465 IonicContact CZ-OD2 3.95Å; R379-D465 IonicContact NE-OD2 3.59Å; R379-D465 IonicContact NH1-OD1 3.45Å; R379-D465 IonicContact NH1-OD2 2.76Å; R379-D465 PolarHBondContact NH1-OD2 2.92Å
380T91.3Very high91.5Very high78 Ų7854.4 Ų54.448%0.47929%0.286SS..SBendtrans-125.1142.4176.766.90000110.6S374 D376S374-T380 WeakPolarHBondContact CA-O 3.39Å; S374-T380 WeakPolarHBondContact CB-O 3.39Å; S374-T380 PolarHBondContact OG-O 3.06Å; D376-T380 VanDerWaalsContact CG-OG1 3.27Å; D376-T380 PolarHBondContact OD1-N 3.08Å; D376-T380 PolarHBondContact OD1-OG1 3.19Å; D376-T380 VanDerWaalsContact OD2-CB 3.31Å; D376-T380 WeakPolarHBondContact OD2-CB 3.44Å; D376-T380 WeakPolarHBondContact OD2-CG2 3.44Å; D376-T380 PolarHBondContact OD2-N 2.92Å; D376-T380 VanDerWaalsContact OD2-N 3.11Å; D376-T380 PolarHBondContact OD2-OG1 3.48Å
381W93.3Very high91.3Very high54 Ų5451.4 Ų51.421%0.20527%0.271CS..  trans-123.4128.9-176.5-69.385.3000110.4M313 V342 F343 I358 A360 K372 G378M313-W381 HydrophobicContact CE-CH2 4.19Å; M313-W381 HydrophobicContact CE-CZ2 4.08Å; V342-W381 HydrophobicContact CG1-CD2 4.31Å; V342-W381 HydrophobicContact CG1-CZ2 3.56Å; F343-W381 HydrophobicContact CE1-CD2 4.09Å; F343-W381 HydrophobicContact CE1-CE3 4.43Å; F343-W381 HydrophobicContact CE1-CG 4.19Å; F343-W381 HydrophobicContact CE2-CD2 4.35Å; F343-W381 HydrophobicContact CE2-CE3 4.31Å; F343-W381 AromaticContact CE2-CH2 3.81Å; F343-W381 HydrophobicContact CE2-CH2 3.81Å; F343-W381 AromaticContact CE2-CZ2 3.93Å; F343-W381 HydrophobicContact CE2-CZ2 3.93Å; F343-W381 HydrophobicContact CE2-CZ3 4.03Å; F343-W381 AromaticContact CZ-CD2 3.46Å; F343-W381 HydrophobicContact CZ-CD2 3.46Å; F343-W381 VanDerWaalsContact CZ-CD2 3.46Å; F343-W381 AromaticContact CZ-CE2 3.66Å; F343-W381 AromaticContact CZ-CE3 3.52Å; F343-W381 HydrophobicContact CZ-CE3 3.52Å; F343-W381 HydrophobicContact CZ-CG 4.04Å; F343-W381 AromaticContact CZ-CH2 3.85Å; F343-W381 HydrophobicContact CZ-CH2 3.85Å; F343-W381 AromaticContact CZ-CZ2 3.86Å; F343-W381 HydrophobicContact CZ-CZ2 3.86Å; F343-W381 AromaticContact CZ-CZ3 3.7Å; F343-W381 HydrophobicContact CZ-CZ3 3.7Å; I358-W381 HydrophobicContact CB-CH2 4.15Å; I358-W381 HydrophobicContact CG2-CH2 3.7Å; I358-W381 HydrophobicContact CG2-CZ2 4.5Å; I358-W381 HydrophobicContact CG2-CZ3 4.42Å; A360-W381 HydrophobicContact CB-CE3 4.45Å; A360-W381 HydrophobicContact CB-CH2 3.87Å; A360-W381 HydrophobicContact CB-CZ3 3.54Å; K372-W381 HydrophobicContact CB-CE3 3.93Å; K372-W381 HydrophobicContact CB-CZ3 4.4Å; G378-W381 PolarHBondContact O-NE1 3.33Å
382N92.9Very high91Very high76 Ų7653.7 Ų53.741%0.40628%0.281SS..EExtended strand (participates in β ladder)trans-104.3143.7175.9-65.6-75.6000109.5K372 F373K372-N382 CarbonylContact C-O 3.6Å; K372-N382 VanDerWaalsContact CA-O 3.27Å; K372-N382 WeakPolarHBondContact CA-O 3.45Å; F373-N382 HydrophobicContact CD1-CB 4Å; F373-N382 HydrophobicContact CE1-CB 3.49Å; F373-N382 VanDerWaalsContact CE1-CB 3.49Å; F373-N382 HydrophobicContact CE2-CB 4.06Å; F373-N382 HydrophobicContact CG-CB 4.5Å; F373-N382 HydrophobicContact CZ-CB 3.52Å; F373-N382 PolarHBondContact N-O 2.87Å; F373-N382 PolarHBondContact O-N 2.77Å
383I94.9Very high90.5Very high117 Ų11752.8 Ų52.860%0.628%0.28SS*.EExtended strand (participates in β ladder)trans-105.9131179.2-54.9176.6000108.6I370 L371 K372I370-I383 HydrophobicContact CB-CG2 4.18Å; I370-I383 HydrophobicContact CG2-CG2 4.45Å; L371-I383 WeakPolarHBondContact O-CA 3.3Å; K372-I383 HydrophobicContact CG-CG1 4.4Å
384H92.3Very high90Very high100 Ų10054.5 Ų54.546%0.46329%0.29SS..EExtended strand (participates in β ladder)trans-131.7141.1176.4-176.868.2000111.1I370 L371 F373 F386I370-H384 CarbonylContact C-O 3.53Å; I370-H384 WeakPolarHBondContact CA-O 3.07Å; L371-H384 HydrophobicContact CD1-CB 4.37Å; L371-H384 HydrophobicContact CD2-CB 4.22Å; L371-H384 HydrophobicContact CG-CB 4.03Å; L371-H384 PolarHBondContact N-O 2.97Å; L371-H384 PolarHBondContact O-N 2.9Å; F373-H384 HydrophobicContact CE1-CB 4.19Å; H384-F386 PolarHBondContact O-N 3.22Å
385N93.1Very high89.5Confident97 Ų9755 Ų5552%0.51930%0.296SS..EExtended strand (participates in β ladder)trans-86.2106.2174-65.3-18000108.6K369K369-N385 CarbonylContact O-C 3.59Å; K369-N385 VanDerWaalsContact O-CA 3.27Å; K369-N385 WeakPolarHBondContact O-CA 3.48Å
386F89.6Confident89.3Confident21 Ų2154.8 Ų54.89%0.09230%0.295CS..  trans-77.5-22.4-177.462.4-87000113.7I361 K369 L371 H384 V393 F409 V422 V424I361-F386 HydrophobicContact CD1-CE1 4.05Å; K369-F386 VanDerWaalsContact C-CD1 3.43Å; K369-F386 VanDerWaalsContact O-CD1 3.29Å; K369-F386 WeakPolarHBondContact O-CD1 3.33Å; K369-F386 PolarHBondContact O-N 3.39Å; K369-F386 VanDerWaalsContact O-N 3.09Å; L371-F386 HydrophobicContact CB-CD1 4.07Å; L371-F386 HydrophobicContact CD2-CB 3.67Å; L371-F386 HydrophobicContact CD2-CD1 4.47Å; L371-F386 HydrophobicContact CD2-CG 4.49Å; H384-F386 PolarHBondContact O-N 3.22Å; F386-V393 HydrophobicContact CZ-CG2 4.36Å; F386-F409 HydrophobicContact CB-CE2 4.49Å; F386-F409 HydrophobicContact CD2-CD2 4.34Å; F386-V422 HydrophobicContact CD2-CB 4.25Å; F386-V422 HydrophobicContact CD2-CG1 4.13Å; F386-V422 HydrophobicContact CD2-CG2 4.19Å; F386-V422 HydrophobicContact CE2-CG2 4.47Å; F386-V424 HydrophobicContact CB-CG2 4.38Å
387T88.6Confident89.1Confident22 Ų2257.7 Ų57.714%0.13531%0.31CS..  trans-144.3158.7-178.3-178.20000110.2K369 T389 V391 E420K369-T387 HydrophobicContact CB-CG2 3.9Å; T387-T389 WeakPolarHBondContact CG2-O 3.45Å; T387-T389 PolarHBondContact OG1-N 2.83Å; T387-T389 PolarHBondContact OG1-O 3.2Å; T387-V391 HydrophobicContact CG2-CG2 4.22Å; T387-E420 PolarHBondContact OG1-OE1 2.85Å
388S86.3Confident89Confident108 Ų10858.1 Ų58.176%0.75532%0.315SS*.SBendtrans-77.9-33.3174.753.10000112.6
389T86.4Confident88.7Confident71 Ų7162.3 Ų62.344%0.43633%0.334SS..SBendtrans-106.2137.7-174.5-48.40000109.1T387 V391 I413T387-T389 WeakPolarHBondContact CG2-O 3.45Å; T387-T389 PolarHBondContact OG1-N 2.83Å; T387-T389 PolarHBondContact OG1-O 3.2Å; T389-V391 PolarHBondContact O-N 3.17Å; T389-I413 HydrophobicContact CG2-CG2 3.46Å; T389-I413 VanDerWaalsContact CG2-CG2 3.46Å
390S88.4Confident88.4Confident45 Ų4562.3 Ų62.332%0.31535%0.349SS..  trans-66.8136.4177-57.90000111L368L368-S390 WeakPolarHBondContact O-CA 3.35Å
391V88.6Confident87.7Confident5 Ų560.9 Ų60.93%0.0335%0.35CS..BIsolated β-bridgetrans-125.1140.3-176.1176.90000109.1P367 L368 T387 T389 I413P367-V391 WeakPolarHBondContact CA-O 3.24Å; L368-V391 PolarHBondContact N-O 3.07Å; L368-V391 PolarHBondContact O-N 2.99Å; T387-V391 HydrophobicContact CG2-CG2 4.22Å; T389-V391 PolarHBondContact O-N 3.17Å; V391-I413 HydrophobicContact CG2-CG1 4.36Å
392F87.4Confident86.9Confident48 Ų4859.3 Ų59.321%0.21135%0.346CS..EExtended strand (participates in β ladder)trans-76.3117.9165.5-67-92.2000107.9S365 P367 G411 H412S365-F392 VanDerWaalsContact O-CE1 3.27Å; S365-F392 WeakPolarHBondContact O-CE1 3.4Å; P367-F392 HydrophobicContact CB-CD1 4.37Å; P367-F392 HydrophobicContact CB-CD2 3.9Å; P367-F392 HydrophobicContact CB-CE1 4.33Å; P367-F392 HydrophobicContact CB-CE2 3.83Å; P367-F392 HydrophobicContact CB-CG 4.18Å; P367-F392 HydrophobicContact CB-CZ 4.06Å; P367-F392 HydrophobicContact CG-CE1 4.37Å; P367-F392 HydrophobicContact CG-CE2 3.99Å; P367-F392 HydrophobicContact CG-CZ 3.89Å; F392-G411 CarbonylContact O-C 3.5Å; F392-G411 WeakPolarHBondContact O-CA 3.32Å; F392-H412 VanDerWaalsContact CB-CE1 3.41Å; F392-H412 WeakPolarHBondContact CB-CE1 3.45Å; F392-H412 WeakPolarHBondContact CB-NE2 3.35Å; F392-H412 AromaticContact CD2-CD2 3.75Å; F392-H412 AromaticContact CD2-NE2 3.68Å; F392-H412 WeakPolarHBondContact CD2-O 3.43Å; F392-H412 AromaticContact CG-NE2 3.53Å; F392-H412 PolarHBondContact N-O 3.32Å; F392-H412 PolarHBondContact O-N 3.19Å
393V84.3Confident86.4Confident28 Ų2858.2 Ų58.217%0.1734%0.338CS..EExtended strand (participates in β ladder)trans-87.1114.3-175.5179.10000108.2I361 F386 L396I361-V393 HydrophobicContact CG2-CB 4.5Å; I361-V393 HydrophobicContact CG2-CG1 4.41Å; I361-V393 HydrophobicContact CG2-CG2 4.21Å; F386-V393 HydrophobicContact CZ-CG2 4.36Å; V393-L396 HydrophobicContact CG1-CD2 4.45Å
394D83.6Confident85.9Confident72 Ų7253.9 Ų53.939%0.38532%0.317SS..EExtended strand (participates in β ladder)trans-92.3-24.9177.9-64-46.7000111.2F410 G411 H412 W419D394-F410 HydrophobicContact CB-CD2 4.06Å; D394-F410 HydrophobicContact CB-CE2 3.92Å; D394-F410 PolarHBondContact N-O 3.42Å; D394-G411 WeakPolarHBondContact OD2-CA 3.38Å; D394-H412 IonicContact OD1-CE1 3.67Å; D394-H412 PolarHBondContact OD1-CE1 2.82Å; D394-H412 IonicContact OD1-ND1 3.3Å; D394-H412 IonicContact OD2-CE1 3.76Å; D394-H412 IonicContact OD2-CG 3.69Å; D394-H412 IonicContact OD2-ND1 2.78Å; D394-H412 PolarHBondContact OD2-ND1 3.45Å; D394-W419 HydrophobicContact CB-CZ3 4.11Å; D394-W419 WeakPolarHBondContact OD2-CZ3 3.43Å
395G83.5Confident85.8Confident11 Ų1149.1 Ų49.111%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-179.1176.7171.300000116.8F410G395-F410 VanDerWaalsContact CA-CZ 3.43Å; G395-F410 PolarHBondContact N-O 3.12Å; G395-F410 WeakPolarHBondContact O-CD1 3.34Å; G395-F410 PolarHBondContact O-N 2.59Å
396L85.6Confident85.8Confident31 Ų3145.2 Ų45.216%0.16228%0.275CS..EExtended strand (participates in β ladder)trans-126.6132.4-175.3-58.2176.6000110.5H348 L350 I361 V393 M407 F409H348-L396 HydrophobicContact CB-CD1 3.52Å; H348-L396 HydrophobicContact CB-CG 4.38Å; L350-L396 HydrophobicContact CB-CD1 4.36Å; I361-L396 HydrophobicContact CD1-CD2 4.48Å; V393-L396 HydrophobicContact CG1-CD2 4.45Å; L396-M407 HydrophobicContact CD2-CE 3.95Å; L396-F409 HydrophobicContact CD2-CD1 3.12Å; L396-F409 HydrophobicContact CD2-CE1 3.12Å; L396-F409 HydrophobicContact CD2-CG 4.27Å; L396-F409 HydrophobicContact CD2-CZ 4.31Å
397L88.1Confident85.8Confident82 Ų8244.2 Ų44.243%0.42927%0.27SS..EExtended strand (participates in β ladder)trans-127.7140173.9-61.6172.4000110.8M407 T408 F410L397-M407 CarbonylContact O-C 3.56Å; L397-M407 VanDerWaalsContact O-CA 3.31Å; L397-M407 WeakPolarHBondContact O-CA 3.32Å; L397-T408 PolarHBondContact N-O 3.19Å; L397-T408 PolarHBondContact O-N 3.31Å; L397-F410 HydrophobicContact CD1-CD1 4.09Å; L397-F410 HydrophobicContact CD1-CE1 4.02Å; L397-F410 HydrophobicContact CD2-CE1 4.46Å; L397-F410 HydrophobicContact CG-CD1 4.18Å; L397-F410 HydrophobicContact CG-CE1 3.87Å
398S88.8Confident85.9Confident31 Ų3145.1 Ų45.122%0.21728%0.276CS..EExtended strand (participates in β ladder)trans-101.3157.8163.9510000110.1
399E86.8Confident86Confident93 Ų9340.2 Ų40.244%0.43524%0.241SC..PPolyproline II helixtrans-60.8137.4165.6-170.9177.4-175.900110T404 V406E399-T404 HydrophobicContact CB-CG2 4.34Å; E399-T404 VanDerWaalsContact CB-OG1 3.3Å; E399-T404 WeakPolarHBondContact CB-OG1 3.38Å; E399-T404 HydrophobicContact CG-CG2 4.22Å; E399-T404 WeakPolarHBondContact OE2-CB 3.47Å; E399-T404 WeakPolarHBondContact OE2-CG2 3.46Å; E399-T404 PolarHBondContact OE2-OG1 2.9Å; E399-V406 PolarHBondContact N-O 2.77Å
400P83.8Confident86.1Confident118 Ų11839 Ų3977%0.76623%0.23SC*.THydrogen-bonded Turntrans-55.3144.2179.7-27.134.9000113.5
401G76.7Confident86.1Confident49 Ų4936.9 Ų36.951%0.50522%0.215SC..THydrogen-bonded Turntrans102.5-11.4179.500000114.4E403G401-E403 WeakPolarHBondContact O-CG 3.27Å; G401-E403 PolarHBondContact O-N 2.97Å
402D74.9Confident86Confident21 Ų2138.9 Ų38.911%0.11222%0.224CC..SBendtrans55.612.4177.7-67.3-20.9000114.7K305 D353 H354K305-D402 IonicContact NZ-OD1 2.59Å; K305-D402 PolarHBondContact NZ-OD1 3.06Å; K305-D402 IonicContact NZ-OD2 3.99Å; K305-D402 PolarHBondContact NZ-OD2 3.15Å; D353-D402 CarbonylContact C-O 3.32Å; D353-D402 WeakPolarHBondContact CA-O 3.41Å; D353-D402 PolarHBondContact N-O 2.96Å; H354-D402 PolarHBondContact N-O 2.88Å
403E82.8Confident85.7Confident52 Ų5239.7 Ų39.724%0.24323%0.229CC..  trans-91.1-16-179.4-71.7161.4-168.300112.9H354 G401 K473H354-E403 WeakPolarHBondContact NE2-CG 3.43Å; G401-E403 WeakPolarHBondContact O-CG 3.27Å; G401-E403 PolarHBondContact O-N 2.97Å; E403-K473 HydrophobicContact CB-CG 4.42Å; E403-K473 HydrophobicContact CG-CG 4.41Å; E403-K473 WeakPolarHBondContact OE2-CD 3.42Å; E403-K473 WeakPolarHBondContact OE2-CE 3.48Å; E403-K473 WeakPolarHBondContact OE2-CG 3.37Å; E403-K473 IonicContact OE2-NZ 3.08Å
404T85.4Confident85Confident26 Ų2640.6 Ų40.616%0.1624%0.237CC..  trans-104.6169.4-170.294.40000111.6D353 E399 V406D353-T404 PolarHBondContact N-O 2.89Å; D353-T404 VanDerWaalsContact N-O 3.15Å; E399-T404 HydrophobicContact CB-CG2 4.34Å; E399-T404 VanDerWaalsContact CB-OG1 3.3Å; E399-T404 WeakPolarHBondContact CB-OG1 3.38Å; E399-T404 HydrophobicContact CG-CG2 4.22Å; E399-T404 WeakPolarHBondContact OE2-CB 3.47Å; E399-T404 WeakPolarHBondContact OE2-CG2 3.46Å; E399-T404 PolarHBondContact OE2-OG1 2.9Å; T404-V406 PolarHBondContact OG1-N 2.8Å
405L90.1Very high84Confident1 Ų148 Ų481%0.00526%0.261CS..  trans-113.521-175.7-77.6174.2000111.2L352 D353 V357 F426 R427 F430 V470L352-L405 HydrophobicContact CB-CD2 4.08Å; D353-L405 HydrophobicContact CB-CD2 3.67Å; D353-L405 HydrophobicContact CB-CG 4.03Å; V357-L405 HydrophobicContact CB-CD2 4.31Å; V357-L405 HydrophobicContact CG2-CD2 3.61Å; L405-F426 HydrophobicContact CB-CB 3.98Å; L405-F426 HydrophobicContact CD2-CB 4.19Å; L405-F426 HydrophobicContact CG-CB 4.5Å; L405-F426 PolarHBondContact O-N 3.42Å; L405-R427 HydrophobicContact CB-CG 3.79Å; L405-R427 HydrophobicContact CD1-CG 4.31Å; L405-F430 HydrophobicContact CD1-CB 4.31Å; L405-F430 HydrophobicContact CD1-CD2 3.6Å; L405-F430 HydrophobicContact CD1-CE2 4.22Å; L405-F430 HydrophobicContact CD1-CG 4.16Å; L405-F430 HydrophobicContact CD2-CE2 4.34Å; L405-V470 HydrophobicContact CD1-CG1 4.19Å; L405-V470 HydrophobicContact CD1-CG2 3.71Å
406V91.5Very high82.9Confident15 Ų1557.5 Ų57.59%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-105.6127.5179.6-178.20000108.6E399 T404 K423 V424E399-V406 PolarHBondContact N-O 2.77Å; T404-V406 PolarHBondContact OG1-N 2.8Å; V406-K423 HydrophobicContact CG1-CD 4.36Å; V406-K423 VanDerWaalsContact CG1-CE 3.48Å; V406-K423 HydrophobicContact CG1-CG 4.02Å; V406-V424 WeakPolarHBondContact CA-O 3.24Å
407M91.3Very high82.1Confident0 Ų060.6 Ų60.60%032%0.318CS..EExtended strand (participates in β ladder)trans-128156.2172.469.6176.8-5800110.8L350 L352 V359 L396 L397 F409 K423 V424 F426L350-M407 HydrophobicContact CD2-CB 3.76Å; L350-M407 HydrophobicContact CD2-CE 3.72Å; L352-M407 HydrophobicContact CD1-CB 4.32Å; L352-M407 HydrophobicContact CD1-SD 4.47Å; L352-M407 HydrophobicContact CD2-CB 4.34Å; V359-M407 HydrophobicContact CB-CE 4.38Å; V359-M407 HydrophobicContact CB-SD 4.16Å; V359-M407 HydrophobicContact CG1-CE 3.89Å; V359-M407 HydrophobicContact CG1-SD 3.78Å; V359-M407 HydrophobicContact CG2-SD 3.85Å; L396-M407 HydrophobicContact CD2-CE 3.95Å; L397-M407 CarbonylContact O-C 3.56Å; L397-M407 VanDerWaalsContact O-CA 3.31Å; L397-M407 WeakPolarHBondContact O-CA 3.32Å; M407-F409 HydrophobicContact CE-CD1 4.22Å; M407-F409 HydrophobicContact CE-CD2 4.45Å; M407-F409 HydrophobicContact CE-CE1 3.36Å; M407-F409 HydrophobicContact CE-CE2 3.7Å; M407-F409 HydrophobicContact CE-CZ 3.1Å; M407-F409 HydrophobicContact CG-CE2 4.19Å; M407-F409 HydrophobicContact CG-CZ 4.45Å; M407-F409 HydrophobicContact SD-CE1 4.42Å; M407-F409 HydrophobicContact SD-CE2 3.86Å; M407-F409 HydrophobicContact SD-CZ 3.58Å; M407-F409 VanDerWaalsContact SD-CZ 3.58Å; M407-K423 WeakPolarHBondContact O-CA 3.37Å; M407-V424 HydrophobicContact CG-CB 3.87Å; M407-V424 PolarHBondContact N-O 2.76Å; M407-V424 PolarHBondContact O-N 3.22Å; M407-F426 HydrophobicContact CG-CE2 4.4Å; M407-F426 HydrophobicContact SD-CE2 3.89Å
408T90.8Very high81.9Confident41 Ų4162.3 Ų62.325%0.25233%0.327SS..EExtended strand (participates in β ladder)trans-128.3125176.9-52.70000109.4L397 L421 V422L397-T408 PolarHBondContact N-O 3.19Å; L397-T408 PolarHBondContact O-N 3.31Å; T408-L421 HydrophobicContact CG2-CB 4.31Å; T408-L421 HydrophobicContact CG2-CD2 4.19Å; T408-V422 WeakPolarHBondContact CA-O 3.47Å
409F87Confident81.8Confident5 Ų569 Ų692%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-86.4140.4165.1-58.2-82.5000108.4I361 L371 F386 L396 M407 L421 V422 V424I361-F409 HydrophobicContact CD1-CD1 3.59Å; I361-F409 HydrophobicContact CD1-CE1 3Å; I361-F409 HydrophobicContact CD1-CZ 3.74Å; I361-F409 HydrophobicContact CG1-CE1 3.77Å; I361-F409 HydrophobicContact CG1-CZ 4.44Å; L371-F409 HydrophobicContact CB-CZ 4.4Å; L371-F409 HydrophobicContact CD2-CZ 4.42Å; F386-F409 HydrophobicContact CB-CE2 4.49Å; F386-F409 HydrophobicContact CD2-CD2 4.34Å; L396-F409 HydrophobicContact CD2-CD1 3.12Å; L396-F409 HydrophobicContact CD2-CE1 3.12Å; L396-F409 HydrophobicContact CD2-CG 4.27Å; L396-F409 HydrophobicContact CD2-CZ 4.31Å; M407-F409 HydrophobicContact CE-CD1 4.22Å; M407-F409 HydrophobicContact CE-CD2 4.45Å; M407-F409 HydrophobicContact CE-CE1 3.36Å; M407-F409 HydrophobicContact CE-CE2 3.7Å; M407-F409 HydrophobicContact CE-CZ 3.1Å; M407-F409 HydrophobicContact CG-CE2 4.19Å; M407-F409 HydrophobicContact CG-CZ 4.45Å; M407-F409 HydrophobicContact SD-CE1 4.42Å; M407-F409 HydrophobicContact SD-CE2 3.86Å; M407-F409 HydrophobicContact SD-CZ 3.58Å; M407-F409 VanDerWaalsContact SD-CZ 3.58Å; F409-L421 CarbonylContact O-C 3.58Å; F409-L421 VanDerWaalsContact O-CA 3.24Å; F409-L421 WeakPolarHBondContact O-CA 3.28Å; F409-V422 HydrophobicContact CB-CB 4.22Å; F409-V422 HydrophobicContact CD2-CB 4.16Å; F409-V422 HydrophobicContact CD2-CG1 4.44Å; F409-V422 WeakPolarHBondContact CD2-O 3.48Å; F409-V422 PolarHBondContact N-O 3.19Å; F409-V422 PolarHBondContact O-N 3.41Å; F409-V424 HydrophobicContact CD2-CG2 4.07Å; F409-V424 HydrophobicContact CE2-CB 4.21Å; F409-V424 HydrophobicContact CE2-CG2 3.57Å
410F88.2Confident81.9Confident46 Ų4666.8 Ų66.820%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-129.5140.3165.965.4-88.6000109.3D394 G395 L397 W419 L421D394-F410 HydrophobicContact CB-CD2 4.06Å; D394-F410 HydrophobicContact CB-CE2 3.92Å; D394-F410 PolarHBondContact N-O 3.42Å; G395-F410 VanDerWaalsContact CA-CZ 3.43Å; G395-F410 PolarHBondContact N-O 3.12Å; G395-F410 WeakPolarHBondContact O-CD1 3.34Å; G395-F410 PolarHBondContact O-N 2.59Å; L397-F410 HydrophobicContact CD1-CD1 4.09Å; L397-F410 HydrophobicContact CD1-CE1 4.02Å; L397-F410 HydrophobicContact CD2-CE1 4.46Å; L397-F410 HydrophobicContact CG-CD1 4.18Å; L397-F410 HydrophobicContact CG-CE1 3.87Å; F410-W419 AromaticContact CD2-CZ3 3.96Å; F410-W419 HydrophobicContact CD2-CZ3 3.96Å; F410-L421 HydrophobicContact CB-CG 4.15Å
411G88Confident82.2Confident0 Ų067 Ų670%033%0.332CS..EExtended strand (participates in β ladder)trans-176.8-168-173.500000112.2F392 D394 W419 E420F392-G411 CarbonylContact O-C 3.5Å; F392-G411 WeakPolarHBondContact O-CA 3.32Å; D394-G411 WeakPolarHBondContact OD2-CA 3.38Å; G411-W419 CarbonylContact O-C 3.55Å; G411-W419 WeakPolarHBondContact O-CA 3.14Å; G411-E420 PolarHBondContact N-O 2.79Å; G411-E420 VanDerWaalsContact N-O 3.08Å; G411-E420 PolarHBondContact O-N 2.97Å
412H87Confident82.8Confident47 Ų4765.6 Ų65.622%0.21831%0.314CS..EExtended strand (participates in β ladder)trans-134144.6179.658.7-83000111.9F392 D394 S414F392-H412 VanDerWaalsContact CB-CE1 3.41Å; F392-H412 WeakPolarHBondContact CB-CE1 3.45Å; F392-H412 WeakPolarHBondContact CB-NE2 3.35Å; F392-H412 AromaticContact CD2-CD2 3.75Å; F392-H412 AromaticContact CD2-NE2 3.68Å; F392-H412 WeakPolarHBondContact CD2-O 3.43Å; F392-H412 AromaticContact CG-NE2 3.53Å; F392-H412 PolarHBondContact N-O 3.32Å; F392-H412 PolarHBondContact O-N 3.19Å; D394-H412 IonicContact OD1-CE1 3.67Å; D394-H412 PolarHBondContact OD1-CE1 2.82Å; D394-H412 IonicContact OD1-ND1 3.3Å; D394-H412 IonicContact OD2-CE1 3.76Å; D394-H412 IonicContact OD2-CG 3.69Å; D394-H412 IonicContact OD2-ND1 2.78Å; D394-H412 PolarHBondContact OD2-ND1 3.45Å; H412-S414 PolarHBondContact CD2-O 3.02Å
413I80.8Confident83.7Confident64 Ų6471.2 Ų71.233%0.32834%0.337SS..SBendtrans-80.8-28.4-168.6-49169000112.1T389 V391 E420T389-I413 HydrophobicContact CG2-CG2 3.46Å; T389-I413 VanDerWaalsContact CG2-CG2 3.46Å; V391-I413 HydrophobicContact CG2-CG1 4.36Å; I413-E420 HydrophobicContact CD1-CB 4.19Å; I413-E420 WeakPolarHBondContact CD1-OE2 3.07Å; I413-E420 HydrophobicContact CG1-CB 3.89Å; I413-E420 WeakPolarHBondContact CG1-OE2 3.28Å
414S70.3Confident84.1Confident48 Ų4869.7 Ų69.734%0.33633%0.331SS..SBendtrans-163.1-178.1-179.369.30000110.8H412 R416 S417H412-S414 PolarHBondContact CD2-O 3.02Å; S414-R416 PolarHBondContact O-N 3.24Å; S414-R416 PolarHBondContact OG-N 2.84Å; S414-S417 PolarHBondContact O-N 2.04Å
415Y61.9Low84.4Confident228 Ų22871 Ų7189%0.89434%0.337SS*.THydrogen-bonded Turntrans-51-11.6168.4-74.7-79.3000115.3S417Y415-S417 PolarHBondContact O-N 2.72Å; Y415-S417 PolarHBondContact O-OG 3.04Å
416R60.8Low84.4Confident209 Ų20971.5 Ų71.579%0.78934%0.339SS*.THydrogen-bonded Turntrans-77.48.6179.4-68.1-163.7-179.2-174.41.9115.6S414 D418S414-R416 PolarHBondContact O-N 3.24Å; S414-R416 PolarHBondContact OG-N 2.84Å; R416-D418 PolarHBondContact O-N 3.17Å
417S68.3Low84.2Confident96 Ų9677 Ų7767%0.67136%0.358SS*.  trans62.47.6164.1-480000117.5S414 Y415S414-S417 PolarHBondContact O-N 2.04Å; Y415-S417 PolarHBondContact O-N 2.72Å; Y415-S417 PolarHBondContact O-OG 3.04Å
418D84.5Confident83.9Confident118 Ų11885.2 Ų85.263%0.63140%0.397SS*.  trans-77.5127.9172.4-66.8-36000110.3R416R416-D418 PolarHBondContact O-N 3.17Å
419W87.9Confident83.6Confident171 Ų17186.7 Ų86.765%0.64841%0.409SS*.EExtended strand (participates in β ladder)trans-74.1133175.7-68.997000111.3D394 F410 G411D394-W419 HydrophobicContact CB-CZ3 4.11Å; D394-W419 WeakPolarHBondContact OD2-CZ3 3.43Å; F410-W419 AromaticContact CD2-CZ3 3.96Å; F410-W419 HydrophobicContact CD2-CZ3 3.96Å; G411-W419 CarbonylContact O-C 3.55Å; G411-W419 WeakPolarHBondContact O-CA 3.14Å
420E87.1Confident83.6Confident47 Ų4787 Ų8722%0.2241%0.41CS..EExtended strand (participates in β ladder)trans-116.3131.6169.2-174.6172.9139.700109.4T387 G411 I413 V422T387-E420 PolarHBondContact OG1-OE1 2.85Å; G411-E420 PolarHBondContact N-O 2.79Å; G411-E420 VanDerWaalsContact N-O 3.08Å; G411-E420 PolarHBondContact O-N 2.97Å; I413-E420 HydrophobicContact CD1-CB 4.19Å; I413-E420 WeakPolarHBondContact CD1-OE2 3.07Å; I413-E420 HydrophobicContact CG1-CB 3.89Å; I413-E420 WeakPolarHBondContact CG1-OE2 3.28Å; E420-V422 HydrophobicContact CG-CG2 4.21Å; E420-V422 WeakPolarHBondContact OE1-CG2 3.23Å
421L90.8Very high83.2Confident122 Ų12290.3 Ų90.364%0.63944%0.437SS*.EExtended strand (participates in β ladder)trans-114124.6172.7-68.386.8000109.5T408 F409 F410T408-L421 HydrophobicContact CG2-CB 4.31Å; T408-L421 HydrophobicContact CG2-CD2 4.19Å; F409-L421 CarbonylContact O-C 3.58Å; F409-L421 VanDerWaalsContact O-CA 3.24Å; F409-L421 WeakPolarHBondContact O-CA 3.28Å; F410-L421 HydrophobicContact CB-CG 4.15Å
422V89.8Confident83.3Confident21 Ų2195.5 Ų95.513%0.12746%0.456CS..EExtended strand (participates in β ladder)trans-112.3114.1177-174.70000109.1F386 T408 F409 E420 V424F386-V422 HydrophobicContact CD2-CB 4.25Å; F386-V422 HydrophobicContact CD2-CG1 4.13Å; F386-V422 HydrophobicContact CD2-CG2 4.19Å; F386-V422 HydrophobicContact CE2-CG2 4.47Å; T408-V422 WeakPolarHBondContact CA-O 3.47Å; F409-V422 HydrophobicContact CB-CB 4.22Å; F409-V422 HydrophobicContact CD2-CB 4.16Å; F409-V422 HydrophobicContact CD2-CG1 4.44Å; F409-V422 WeakPolarHBondContact CD2-O 3.48Å; F409-V422 PolarHBondContact N-O 3.19Å; F409-V422 PolarHBondContact O-N 3.41Å; E420-V422 HydrophobicContact CG-CG2 4.21Å; E420-V422 WeakPolarHBondContact OE1-CG2 3.23Å; V422-V424 HydrophobicContact CG1-CG2 4.23Å
423K93.6Very high83.5Confident138 Ų13897.5 Ų97.560%0.647%0.466SS*.EExtended strand (participates in β ladder)trans-88.5124.6173-179-168.9176.2-178.70109.8V406 M407V406-K423 HydrophobicContact CG1-CD 4.36Å; V406-K423 VanDerWaalsContact CG1-CE 3.48Å; V406-K423 HydrophobicContact CG1-CG 4.02Å; M407-K423 WeakPolarHBondContact O-CA 3.37Å
424V91.1Very high84Confident21 Ų2195.3 Ų95.313%0.12746%0.456CS..EExtended strand (participates in β ladder)trans-113.4132.3173.7177.70000109.9F386 V406 M407 F409 V422 F426F386-V424 HydrophobicContact CB-CG2 4.38Å; V406-V424 WeakPolarHBondContact CA-O 3.24Å; M407-V424 HydrophobicContact CG-CB 3.87Å; M407-V424 PolarHBondContact N-O 2.76Å; M407-V424 PolarHBondContact O-N 3.22Å; F409-V424 HydrophobicContact CD2-CG2 4.07Å; F409-V424 HydrophobicContact CE2-CB 4.21Å; F409-V424 HydrophobicContact CE2-CG2 3.57Å; V422-V424 HydrophobicContact CG1-CG2 4.23Å; V424-F426 HydrophobicContact CG1-CD2 4.04Å; V424-F426 HydrophobicContact CG1-CE2 3.66Å; V424-F426 HydrophobicContact CG1-CZ 4.06Å
425D91.9Very high85Confident52 Ų5296.3 Ų96.328%0.27846%0.46SS..EExtended strand (participates in β ladder)trans-121.5103.5-176.6-175.9-2.4000110.4R427D425-R427 VanDerWaalsContact C-N 3.28Å; D425-R427 VanDerWaalsContact CG-NE 3.34Å; D425-R427 PolarHBondContact O-N 3.23Å; D425-R427 WeakPolarHBondContact OD1-CB 3.26Å; D425-R427 WeakPolarHBondContact OD1-CG 3.41Å; D425-R427 IonicContact OD1-CZ 3.83Å; D425-R427 PolarHBondContact OD1-N 2.95Å; D425-R427 IonicContact OD1-NE 2.68Å; D425-R427 PolarHBondContact OD1-NE 3.38Å; D425-R427 IonicContact OD1-NH2 3.3Å; D425-R427 IonicContact OD2-CZ 2.72Å; D425-R427 VanDerWaalsContact OD2-CZ 3.3Å; D425-R427 IonicContact OD2-NE 3.76Å; D425-R427 PolarHBondContact OD2-NE 3.24Å; D425-R427 VanDerWaalsContact OD2-NE 3.11Å; D425-R427 IonicContact OD2-NH2 3.52Å; D425-R427 PolarHBondContact OD2-NH2 2.78Å
426F90.3Very high86.2Confident13 Ų1391 Ų916%0.05744%0.443CS..G310 helixtrans-79.4-5.7179.8-73.7-87.2000113.5L352 V359 L371 F373 L405 M407 V424 Q428 S429 F430L352-F426 HydrophobicContact CD1-CD2 3.81Å; L352-F426 HydrophobicContact CD1-CE2 4.07Å; V359-F426 HydrophobicContact CG2-CE2 3.91Å; V359-F426 HydrophobicContact CG2-CZ 4.02Å; L371-F426 HydrophobicContact CD1-CZ 4.16Å; F373-F426 HydrophobicContact CB-CE1 4.18Å; F373-F426 HydrophobicContact CB-CZ 4.17Å; F373-F426 HydrophobicContact CD1-CE1 4.13Å; F373-F426 AromaticContact CD2-CE1 3.87Å; F373-F426 HydrophobicContact CD2-CE1 3.87Å; F373-F426 HydrophobicContact CE2-CE1 4.27Å; F373-F426 AromaticContact CG-CE1 3.79Å; F373-F426 HydrophobicContact CG-CE1 3.79Å; F373-F426 HydrophobicContact CG-CZ 4.22Å; L405-F426 HydrophobicContact CB-CB 3.98Å; L405-F426 HydrophobicContact CD2-CB 4.19Å; L405-F426 HydrophobicContact CG-CB 4.5Å; L405-F426 PolarHBondContact O-N 3.42Å; M407-F426 HydrophobicContact CG-CE2 4.4Å; M407-F426 HydrophobicContact SD-CE2 3.89Å; V424-F426 HydrophobicContact CG1-CD2 4.04Å; V424-F426 HydrophobicContact CG1-CE2 3.66Å; V424-F426 HydrophobicContact CG1-CZ 4.06Å; F426-Q428 PolarHBondContact O-N 3.25Å; F426-Q428 VanDerWaalsContact O-N 3.15Å; F426-S429 WeakPolarHBondContact O-CB 3.49Å; F426-S429 PolarHBondContact O-N 3.06Å; F426-F430 HydrophobicContact CB-CE2 4.42Å; F426-F430 WeakPolarHBondContact O-CD2 3.43Å
427R87.5Confident87.7Confident130 Ų13085.1 Ų85.149%0.49143%0.434SS..G310 helixtrans-59.1-32.5-174.7-65.6176.5-66.6-179.83.6113L405 D425 S429 F430L405-R427 HydrophobicContact CB-CG 3.79Å; L405-R427 HydrophobicContact CD1-CG 4.31Å; D425-R427 VanDerWaalsContact C-N 3.28Å; D425-R427 VanDerWaalsContact CG-NE 3.34Å; D425-R427 PolarHBondContact O-N 3.23Å; D425-R427 WeakPolarHBondContact OD1-CB 3.26Å; D425-R427 WeakPolarHBondContact OD1-CG 3.41Å; D425-R427 IonicContact OD1-CZ 3.83Å; D425-R427 PolarHBondContact OD1-N 2.95Å; D425-R427 IonicContact OD1-NE 2.68Å; D425-R427 PolarHBondContact OD1-NE 3.38Å; D425-R427 IonicContact OD1-NH2 3.3Å; D425-R427 IonicContact OD2-CZ 2.72Å; D425-R427 VanDerWaalsContact OD2-CZ 3.3Å; D425-R427 IonicContact OD2-NE 3.76Å; D425-R427 PolarHBondContact OD2-NE 3.24Å; D425-R427 VanDerWaalsContact OD2-NE 3.11Å; D425-R427 IonicContact OD2-NH2 3.52Å; D425-R427 PolarHBondContact OD2-NH2 2.78Å; R427-S429 PolarHBondContact O-N 2.97Å; R427-F430 CarbonylContact O-C 3.58Å; R427-F430 PolarHBondContact O-N 3.28Å; R427-F430 VanDerWaalsContact O-N 3.13Å; R427-F430 VanDerWaalsContact O-O 3.14Å
428Q85.4Confident88.9Confident172 Ų17281.2 Ų81.280%0.80441%0.406SS*.G310 helixtrans-64.5-23.8178.1-61.1-61.9-30.200113F426 F430F426-Q428 PolarHBondContact O-N 3.25Å; F426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-F430 VanDerWaalsContact C-N 3.34Å
429S84.4Confident89.2Confident73 Ų7376.8 Ų76.851%0.5138%0.38SS..G310 helixtrans-82.1-13.2177.9-55.80000113.1F426 R427F426-S429 WeakPolarHBondContact O-CB 3.49Å; F426-S429 PolarHBondContact O-N 3.06Å; R427-S429 PolarHBondContact O-N 2.97Å
430F86.3Confident89.4Confident11 Ų1172.9 Ų72.95%0.04837%0.369CS..  trans-12293-177.7-63.8-84.8000110.1V357 I375 L405 F426 R427 Q428 R432 V470V357-F430 HydrophobicContact CG2-CE2 3.61Å; V357-F430 HydrophobicContact CG2-CZ 3.53Å; I375-F430 HydrophobicContact CB-CZ 4.32Å; I375-F430 HydrophobicContact CG2-CZ 3.73Å; L405-F430 HydrophobicContact CD1-CB 4.31Å; L405-F430 HydrophobicContact CD1-CD2 3.6Å; L405-F430 HydrophobicContact CD1-CE2 4.22Å; L405-F430 HydrophobicContact CD1-CG 4.16Å; L405-F430 HydrophobicContact CD2-CE2 4.34Å; F426-F430 HydrophobicContact CB-CE2 4.42Å; F426-F430 WeakPolarHBondContact O-CD2 3.43Å; R427-F430 CarbonylContact O-C 3.58Å; R427-F430 PolarHBondContact O-N 3.28Å; R427-F430 VanDerWaalsContact O-N 3.13Å; R427-F430 VanDerWaalsContact O-O 3.14Å; Q428-F430 VanDerWaalsContact C-N 3.34Å; F430-R432 VanDerWaalsContact C-N 3.26Å; F430-R432 PolarHBondContact O-N 2.75Å; F430-V470 HydrophobicContact CB-CG2 3.45Å; F430-V470 VanDerWaalsContact CB-CG2 3.45Å; F430-V470 HydrophobicContact CG-CG2 4.23Å
431P78.9Confident89.6Confident116 Ų11675.1 Ų75.175%0.75339%0.39SS*.  trans-74.9-10.2-165.929.3-36.2000114.7
432R90.8Very high89.7Confident108 Ų10871 Ų7141%0.40837%0.366SS..SBendtrans-149.3161.4-174.467.4177.5-176.684.5-5.5112.9F430 D438 C469 V470F430-R432 VanDerWaalsContact C-N 3.26Å; F430-R432 PolarHBondContact O-N 2.75Å; R432-D438 IonicContact CZ-OD1 3.58Å; R432-D438 IonicContact CZ-OD2 3.52Å; R432-D438 IonicContact NH1-OD1 3.55Å; R432-D438 IonicContact NH1-OD2 2.71Å; R432-D438 PolarHBondContact NH1-OD2 3.3Å; R432-D438 IonicContact NH2-OD1 2.72Å; R432-D438 PolarHBondContact NH2-OD1 3.1Å; R432-D438 IonicContact NH2-OD2 3.43Å; R432-D438 PolarHBondContact NH2-OD2 2.8Å; R432-C469 HydrophobicContact CG-CB 4.09Å; R432-C469 VanDerWaalsContact O-CA 3.26Å; R432-C469 WeakPolarHBondContact O-CA 3.42Å; R432-C469 WeakPolarHBondContact O-CB 3.47Å; R432-V470 PolarHBondContact O-N 2.73Å
433Q91.4Very high89.9Confident90 Ų9072.8 Ų72.842%0.42137%0.373SS..BIsolated β-bridgetrans-73.5148.7168.5-161.665.415.400111.2V470 K471Q433-V470 VanDerWaalsContact CD-O 3.23Å; Q433-V470 PolarHBondContact NE2-O 2.82Å; Q433-V470 VanDerWaalsContact NE2-O 3.16Å; Q433-K471 PolarHBondContact NE2-O 3.49Å
434C91.1Very high89.9Confident17 Ų1766.3 Ų66.312%0.11535%0.345CS..  trans-71144.8172.7-66.60000111.7D438 Y439 C469 V470C434-D438 HydrophobicContact CB-CB 4.31Å; C434-Y439 HydrophobicContact CB-CE2 3.77Å; C434-Y439 WeakPolarHBondContact CB-OH 3.21Å; C434-C469 WeakPolarHBondContact CA-SG 3.29Å; C434-C469 HydrophobicContact CB-CB 3.92Å; C434-C469 WeakPolarHBondContact CB-SG 3.5Å; C434-C469 WeakPolarHBondContact SG-CB 3.47Å; C434-C469 PolarHBondContact SG-O 2.88Å; C434-C469 CovalentContact SG-SG 2.04Å; C434-C469 PolarHBondContact SG-SG 2.94Å; C434-V470 WeakPolarHBondContact CB-O 3.47Å; C434-V470 PolarHBondContact N-O 2.82Å; C434-V470 VanDerWaalsContact SG-C 3.55Å; C434-V470 PolarHBondContact SG-O 2.98Å; C434-V470 VanDerWaalsContact SG-O 3.37Å
435T91.3Very high90Very high69 Ų6966.1 Ų66.142%0.42334%0.343SS..  trans-113.3166.6174.163.90000109.4S437 D438 Y439T435-S437 PolarHBondContact O-N 3.45Å; T435-S437 VanDerWaalsContact O-N 3.1Å; T435-S437 PolarHBondContact OG1-OG 2.86Å; T435-D438 PolarHBondContact N-OD2 2.91Å; T435-D438 VanDerWaalsContact O-CB 3.31Å; T435-D438 WeakPolarHBondContact O-CB 3.43Å; T435-D438 PolarHBondContact O-N 3.02Å; T435-D438 PolarHBondContact OG1-OD2 3.38Å; T435-Y439 WeakPolarHBondContact O-CD2 3.32Å; T435-Y439 WeakPolarHBondContact O-CE2 3.5Å
436E88.1Confident89.9Confident118 Ų11864.9 Ų64.955%0.55134%0.337SS*.G310 helixtrans-56.5-29.9179.3-67-64.8140.900113.4D438 Y439 R461E436-D438 PolarHBondContact O-N 2.87Å; E436-Y439 PolarHBondContact O-N 2.97Å; E436-R461 IonicContact OE1-CZ 2.75Å; E436-R461 IonicContact OE1-NH1 2.75Å; E436-R461 PolarHBondContact OE1-NH1 3.27Å; E436-R461 IonicContact OE1-NH2 3.99Å; E436-R461 PolarHBondContact OE1-NH2 2.76Å; E436-R461 IonicContact OE2-CZ 3.37Å; E436-R461 IonicContact OE2-NE 2.82Å; E436-R461 IonicContact OE2-NH1 3.3Å; E436-R461 PolarHBondContact OE2-NH1 2.98Å; E436-R461 IonicContact OE2-NH2 3.33Å; E436-R461 PolarHBondContact OE2-NH2 2.99Å
437S91.7Very high89.9Confident84 Ų8466.3 Ų66.359%0.58735%0.345SS*.G310 helixtrans-71.6-15.9176.851.30000114.6T435 Y439 K464T435-S437 PolarHBondContact O-N 3.45Å; T435-S437 VanDerWaalsContact O-N 3.1Å; T435-S437 PolarHBondContact OG1-OG 2.86Å; S437-Y439 VanDerWaalsContact C-N 3.28Å; S437-K464 PolarHBondContact O-NZ 3.39Å
438D92.7Very high90Very high15 Ų1565.9 Ų65.98%0.0835%0.348CS..G310 helixtrans-82.7-8.4179.5-62.7-53.3000113R432 C434 T435 E436 K464 A467R432-D438 IonicContact CZ-OD1 3.58Å; R432-D438 IonicContact CZ-OD2 3.52Å; R432-D438 IonicContact NH1-OD1 3.55Å; R432-D438 IonicContact NH1-OD2 2.71Å; R432-D438 PolarHBondContact NH1-OD2 3.3Å; R432-D438 IonicContact NH2-OD1 2.72Å; R432-D438 PolarHBondContact NH2-OD1 3.1Å; R432-D438 IonicContact NH2-OD2 3.43Å; R432-D438 PolarHBondContact NH2-OD2 2.8Å; C434-D438 HydrophobicContact CB-CB 4.31Å; T435-D438 PolarHBondContact N-OD2 2.91Å; T435-D438 VanDerWaalsContact O-CB 3.31Å; T435-D438 WeakPolarHBondContact O-CB 3.43Å; T435-D438 PolarHBondContact O-N 3.02Å; T435-D438 PolarHBondContact OG1-OD2 3.38Å; E436-D438 PolarHBondContact O-N 2.87Å; D438-K464 WeakPolarHBondContact O-CB 3.23Å; D438-K464 WeakPolarHBondContact O-CG 3.42Å; D438-K464 PolarHBondContact O-N 3.14Å; D438-A467 HydrophobicContact CB-CB 3.8Å
439Y91.2Very high90.2Very high25 Ų2559.2 Ų59.210%0.09833%0.326CS..EExtended strand (participates in β ladder)trans-103.5151179.6-59.5-78000111.9C434 T435 E436 S437 R461 K462 R463 K464 K471 Y475C434-Y439 HydrophobicContact CB-CE2 3.77Å; C434-Y439 WeakPolarHBondContact CB-OH 3.21Å; T435-Y439 WeakPolarHBondContact O-CD2 3.32Å; T435-Y439 WeakPolarHBondContact O-CE2 3.5Å; E436-Y439 PolarHBondContact O-N 2.97Å; S437-Y439 VanDerWaalsContact C-N 3.28Å; Y439-R461 HydrophobicContact CD1-CB 4.11Å; Y439-R461 HydrophobicContact CG-CB 4.35Å; Y439-K462 CarbonylContact C-O 3.51Å; Y439-K462 VanDerWaalsContact CA-O 3.24Å; Y439-K462 WeakPolarHBondContact CA-O 3.15Å; Y439-R463 HydrophobicContact CD1-CB 4.44Å; Y439-R463 HydrophobicContact CE1-CB 4.41Å; Y439-K464 VanDerWaalsContact O-CE 3.25Å; Y439-K464 WeakPolarHBondContact O-CE 3.5Å; Y439-K471 HydrophobicContact CE1-CG 4.32Å; Y439-Y475 HydrophobicContact CD1-CE2 4.21Å; Y439-Y475 AromaticContact CE1-CD2 3.99Å; Y439-Y475 HydrophobicContact CE1-CD2 3.99Å; Y439-Y475 AromaticContact CE1-CE2 3.49Å; Y439-Y475 HydrophobicContact CE1-CE2 3.49Å; Y439-Y475 VanDerWaalsContact CE1-CE2 3.49Å; Y439-Y475 AromaticContact CZ-CD2 3.9Å; Y439-Y475 AromaticContact CZ-CE2 3.88Å; Y439-Y475 WeakPolarHBondContact OH-CD2 3.38Å
440E91.7Very high90.5Very high89 Ų8959.9 Ų59.942%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-117.2154.5165.262.7-179.8-162.600110.1K462 K464E440-K462 HydrophobicContact CG-CB 4.1Å; E440-K462 PolarHBondContact N-O 3.05Å; E440-K462 PolarHBondContact O-N 3.16Å; E440-K464 HydrophobicContact CB-CG 4.15Å; E440-K464 HydrophobicContact CG-CG 4.3Å
441S91.7Very high90.8Very high93 Ų9363.8 Ų63.865%0.6534%0.338SS*.EExtended strand (participates in β ladder)trans-88.1126.1177.9570000110.5
442W92.6Very high91.4Very high36 Ų3659.4 Ų59.414%0.13631%0.31CS..EExtended strand (participates in β ladder)trans-110.7119.7170164.754.2000109.7D334 C335 L444 T459 F460 K462D334-W442 VanDerWaalsContact CA-CZ2 3.49Å; D334-W442 HydrophobicContact CB-CZ2 4.09Å; C335-W442 HydrophobicContact CB-CH2 4.09Å; C335-W442 HydrophobicContact CB-CZ2 4.3Å; W442-L444 HydrophobicContact CH2-CD1 3.83Å; W442-L444 HydrophobicContact CZ2-CD1 3.73Å; W442-T459 WeakPolarHBondContact O-CA 3.38Å; W442-F460 HydrophobicContact CE3-CB 3.72Å; W442-F460 AromaticContact CE3-CD2 3.96Å; W442-F460 HydrophobicContact CE3-CD2 3.96Å; W442-F460 HydrophobicContact CE3-CG 4.15Å; W442-F460 HydrophobicContact CH2-CD2 4.37Å; W442-F460 HydrophobicContact CZ3-CB 4.12Å; W442-F460 AromaticContact CZ3-CD2 3.74Å; W442-F460 HydrophobicContact CZ3-CD2 3.74Å; W442-F460 HydrophobicContact CZ3-CE2 4.44Å; W442-F460 HydrophobicContact CZ3-CG 4.07Å; W442-F460 PolarHBondContact N-O 2.84Å; W442-F460 PolarHBondContact O-N 3.35Å; W442-K462 HydrophobicContact CB-CD 3.4Å; W442-K462 HydrophobicContact CB-CG 3.7Å; W442-K462 HydrophobicContact CD2-CD 3.9Å; W442-K462 HydrophobicContact CE3-CD 3.93Å; W442-K462 HydrophobicContact CE3-CG 4.24Å; W442-K462 HydrophobicContact CG-CD 3.66Å; W442-K462 HydrophobicContact CG-CG 4.37Å
443Q93.4Very high91.4Very high59 Ų5954.8 Ų54.828%0.27629%0.293SS..EExtended strand (participates in β ladder)trans-85.9125.7174.6-172.7165.941.200109.3K451 E457Q443-K451 VanDerWaalsContact OE1-CE 3.27Å; Q443-E457 PolarHBondContact NE2-OE2 2.84Å
444L93.9Very high91.4Very high2 Ų250.9 Ų50.91%0.0128%0.275CS..  trans-69.5134175.8179.469.8000109.6V236 C335 W442 I453 R458 F460V236-L444 HydrophobicContact CG1-CD2 3.72Å; C335-L444 HydrophobicContact CB-CD1 3.91Å; W442-L444 HydrophobicContact CH2-CD1 3.83Å; W442-L444 HydrophobicContact CZ2-CD1 3.73Å; L444-I453 HydrophobicContact CD2-CD1 3.98Å; L444-I453 HydrophobicContact CG-CD1 3.86Å; L444-R458 HydrophobicContact CB-CB 4.42Å; L444-R458 HydrophobicContact CD2-CB 4.44Å; L444-R458 PolarHBondContact N-O 2.82Å; L444-F460 HydrophobicContact CB-CD2 4.33Å; L444-F460 HydrophobicContact CB-CE2 4Å; L444-F460 HydrophobicContact CD2-CE2 4.22Å
445T93.9Very high91.4Very high16 Ų1650 Ų5010%0.09827%0.27CS..  trans-140155.9173.162.30000109.8K337 E450 K451K337-T445 WeakPolarHBondContact CD-OG1 3.18Å; K337-T445 PolarHBondContact NZ-OG1 2.95Å; T445-E450 WeakPolarHBondContact CA-O 3.06Å; T445-E450 WeakPolarHBondContact CB-O 3.37Å; T445-K451 HydrophobicContact CG2-CG 4.07Å
446D90.6Very high91.4Very high26 Ų2650.3 Ų50.314%0.13926%0.263CS..  trans-76-167.2168.869.25.2000112.1F256 Q448 G449 E450 I453F256-D446 HydrophobicContact CB-CB 4.49Å; F256-D446 HydrophobicContact CD2-CB 4.16Å; F256-D446 HydrophobicContact CG-CB 4.23Å; D446-Q448 VanDerWaalsContact C-N 3.34Å; D446-Q448 WeakPolarHBondContact OD1-CA 3.06Å; D446-Q448 PolarHBondContact OD1-N 3.04Å; D446-Q448 PolarHBondContact OD2-OE1 3.03Å; D446-G449 PolarHBondContact O-N 2.96Å; D446-G449 PolarHBondContact OD1-N 3.36Å; D446-E450 PolarHBondContact N-O 2.64Å; D446-E450 VanDerWaalsContact N-O 3.17Å; D446-E450 WeakPolarHBondContact OD1-CB 3.32Å; D446-E450 PolarHBondContact OD1-N 3.35Å; D446-E450 WeakPolarHBondContact OD2-CB 3.45Å; D446-I453 HydrophobicContact CB-CD1 4.28Å
447L90Very high91.7Very high43 Ų4348.2 Ų48.223%0.22525%0.253CS..SBendtrans-70.7-29.2179.4-59.2-175.4000112.5I254 F256 E263 K337I254-L447 HydrophobicContact CG2-CD1 4.16Å; F256-L447 HydrophobicContact CE2-CD1 4.48Å; F256-L447 HydrophobicContact CE2-CD2 4.24Å; F256-L447 HydrophobicContact CE2-CG 3.9Å; F256-L447 HydrophobicContact CZ-CD2 4.38Å; E263-L447 HydrophobicContact CB-CD1 3.8Å; E263-L447 WeakPolarHBondContact OE2-CD1 3.26Å; K337-L447 HydrophobicContact CB-CD2 4.35Å
448Q88.5Confident91.7Very high121 Ų12146.4 Ų46.457%0.56523%0.233SC*.SBendtrans-82.6-15.4178.2-67.770.321.800112.7E263 D446E263-Q448 PolarHBondContact OE1-NE2 2.59Å; E263-Q448 PolarHBondContact OE1-OE1 2.99Å; E263-Q448 PolarHBondContact OE2-NE2 3.37Å; D446-Q448 VanDerWaalsContact C-N 3.34Å; D446-Q448 WeakPolarHBondContact OD1-CA 3.06Å; D446-Q448 PolarHBondContact OD1-N 3.04Å; D446-Q448 PolarHBondContact OD2-OE1 3.03Å
449G90.3Very high91.7Very high33 Ų3347.1 Ų47.134%0.3424%0.238SC..  trans91.111.6-175.300000114.3D446D446-G449 PolarHBondContact O-N 2.96Å; D446-G449 PolarHBondContact OD1-N 3.36Å
450E91Very high91.7Very high86 Ų8646.6 Ų46.640%0.40224%0.237SC..  trans-63.5133.6170.7-164.878.6-17100109.1T445 D446T445-E450 WeakPolarHBondContact CA-O 3.06Å; T445-E450 WeakPolarHBondContact CB-O 3.37Å; D446-E450 PolarHBondContact N-O 2.64Å; D446-E450 VanDerWaalsContact N-O 3.17Å; D446-E450 WeakPolarHBondContact OD1-CB 3.32Å; D446-E450 PolarHBondContact OD1-N 3.35Å; D446-E450 WeakPolarHBondContact OD2-CB 3.45Å
451K92Very high91.6Very high94 Ų9444.5 Ų44.541%0.40923%0.225SC..  trans-94.6-24-178.9-63174.4177.2-153.70112.6Q443 T445 I453 E457Q443-K451 VanDerWaalsContact OE1-CE 3.27Å; T445-K451 HydrophobicContact CG2-CG 4.07Å; K451-I453 PolarHBondContact O-N 3.41Å; K451-E457 HydrophobicContact CB-CG 4.14Å
452C91.9Very high91.5Very high24 Ų2440.9 Ų40.916%0.16220%0.197CC..EExtended strand (participates in β ladder)trans-90.191.7-176.4-167.70000110.6G455 C484C452-G455 VanDerWaalsContact SG-C 3.56Å; C452-G455 VanDerWaalsContact SG-CA 3.58Å; C452-C484 VanDerWaalsContact CA-SG 3.59Å; C452-C484 HydrophobicContact CB-CB 3.9Å; C452-C484 WeakPolarHBondContact CB-SG 3.39Å; C452-C484 WeakPolarHBondContact SG-CB 2.79Å; C452-C484 CovalentContact SG-SG 2.02Å; C452-C484 PolarHBondContact SG-SG 3.24Å
453I91.2Very high91.4Very high11 Ų1140 Ų406%0.05619%0.194CC..EExtended strand (participates in β ladder)trans-106.9124.9-179.6-57-178.7000108.1F256 L444 D446 K451 G455 R456F256-I453 HydrophobicContact CB-CD1 4.46Å; F256-I453 HydrophobicContact CB-CG2 4.15Å; F256-I453 HydrophobicContact CD1-CD1 4.4Å; F256-I453 WeakPolarHBondContact O-CG2 3.2Å; L444-I453 HydrophobicContact CD2-CD1 3.98Å; L444-I453 HydrophobicContact CG-CD1 3.86Å; D446-I453 HydrophobicContact CB-CD1 4.28Å; K451-I453 PolarHBondContact O-N 3.41Å; I453-G455 PolarHBondContact O-N 3.3Å; I453-R456 PolarHBondContact N-O 2.65Å; I453-R456 VanDerWaalsContact N-O 3.12Å; I453-R456 PolarHBondContact O-N 3.11Å; I453-R456 VanDerWaalsContact O-N 3.17Å; I453-R456 VanDerWaalsContact O-O 3.09Å
454M90.8Very high91.3Very high7 Ų740.6 Ų40.63%0.03420%0.196CC..THydrogen-bonded Turntrans54.838.3-175.9-60.2-67.8-69.500112.5N257 K258 R456 V537 N540 S541N257-M454 HydrophobicContact CB-SD 4.41Å; K258-M454 HydrophobicContact CB-CE 4Å; K258-M454 HydrophobicContact CB-SD 4.09Å; K258-M454 HydrophobicContact CD-CE 3.97Å; M454-R456 VanDerWaalsContact C-N 3.3Å; M454-R456 PolarHBondContact O-N 3.48Å; M454-V537 HydrophobicContact CE-CG1 3.65Å; M454-V537 HydrophobicContact SD-CG1 4.08Å; M454-N540 VanDerWaalsContact C-CG 3.47Å; M454-N540 PolarHBondContact O-OD1 2.89Å; M454-S541 PolarHBondContact O-N 2.69Å; M454-S541 VanDerWaalsContact O-N 3.11Å
455G91.3Very high90.9Very high0 Ų044.1 Ų44.10%021%0.214CC..THydrogen-bonded Turntrans72.414.8178.900000115.6C452 I453 P483 C484 N540C452-G455 VanDerWaalsContact SG-C 3.56Å; C452-G455 VanDerWaalsContact SG-CA 3.58Å; I453-G455 PolarHBondContact O-N 3.3Å; G455-P483 WeakPolarHBondContact O-CA 3.09Å; G455-C484 VanDerWaalsContact C-SG 3.52Å; G455-C484 PolarHBondContact O-N 2.87Å; G455-N540 WeakPolarHBondContact CA-OD1 3.44Å; G455-N540 PolarHBondContact N-ND2 2.76Å; G455-N540 PolarHBondContact N-OD1 2.89Å
456R91.8Very high90.4Very high75 Ų7548.1 Ų48.128%0.28324%0.243SC..EExtended strand (participates in β ladder)trans-137.8140178.8-53.6-176.278.4114.50.4112.1I453 M454 R458 A481 T482I453-R456 PolarHBondContact N-O 2.65Å; I453-R456 VanDerWaalsContact N-O 3.12Å; I453-R456 PolarHBondContact O-N 3.11Å; I453-R456 VanDerWaalsContact O-N 3.17Å; I453-R456 VanDerWaalsContact O-O 3.09Å; M454-R456 VanDerWaalsContact C-N 3.3Å; M454-R456 PolarHBondContact O-N 3.48Å; R456-R458 HydrophobicContact CB-CG 4.31Å; R456-A481 PolarHBondContact NH2-O 2.82Å; R456-T482 CarbonylContact C-O 3.55Å; R456-T482 VanDerWaalsContact CA-O 3.27Å; R456-T482 WeakPolarHBondContact CA-O 3.46Å
457E93.3Very high90.4Very high73 Ų7347.1 Ų47.134%0.34124%0.239SC..EExtended strand (participates in β ladder)trans-85.1119.1161.8-59.8-170.7-173.900108.9Q443 K451 A481 T482Q443-E457 PolarHBondContact NE2-OE2 2.84Å; K451-E457 HydrophobicContact CB-CG 4.14Å; E457-A481 WeakPolarHBondContact O-CA 3.41Å; E457-T482 PolarHBondContact N-O 2.78Å; E457-T482 PolarHBondContact O-N 2.77Å
458R92.2Very high90.3Very high46 Ų4650.3 Ų50.317%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-110.8131.6-178.3-61.4178.3-174.4171.8-0.7110.1K237 L444 R456 F460K237-R458 PolarHBondContact O-NH1 3.14Å; K237-R458 VanDerWaalsContact O-NH1 3.07Å; L444-R458 HydrophobicContact CB-CB 4.42Å; L444-R458 HydrophobicContact CD2-CB 4.44Å; L444-R458 PolarHBondContact N-O 2.82Å; R456-R458 HydrophobicContact CB-CG 4.31Å; R458-F460 HydrophobicContact CB-CE2 3.91Å; R458-F460 HydrophobicContact CB-CZ 4.29Å
459T92.6Very high90.4Very high30 Ų3044.6 Ų44.618%0.18422%0.224CC..EExtended strand (participates in β ladder)trans-122.1133.2173.9-56.80000109.7W442 L479 T480W442-T459 WeakPolarHBondContact O-CA 3.38Å; T459-L479 HydrophobicContact CG2-CD1 4.14Å; T459-L479 WeakPolarHBondContact O-CB 3.22Å; T459-L479 PolarHBondContact O-N 2.7Å; T459-T480 PolarHBondContact N-O 2.88Å
460F91.3Very high90.4Very high15 Ų1544.1 Ų44.17%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-115.9157.1-177.9-63.3-86.6000111.4V236 P309 W442 L444 R458 S477 A478V236-F460 HydrophobicContact CG2-CZ 4.38Å; P309-F460 HydrophobicContact CB-CD1 3.87Å; P309-F460 HydrophobicContact CB-CE1 3.88Å; P309-F460 HydrophobicContact CB-CG 4.42Å; P309-F460 HydrophobicContact CB-CZ 4.45Å; P309-F460 HydrophobicContact CG-CD1 3.74Å; P309-F460 HydrophobicContact CG-CE1 4.17Å; P309-F460 HydrophobicContact CG-CG 4.36Å; W442-F460 HydrophobicContact CE3-CB 3.72Å; W442-F460 AromaticContact CE3-CD2 3.96Å; W442-F460 HydrophobicContact CE3-CD2 3.96Å; W442-F460 HydrophobicContact CE3-CG 4.15Å; W442-F460 HydrophobicContact CH2-CD2 4.37Å; W442-F460 HydrophobicContact CZ3-CB 4.12Å; W442-F460 AromaticContact CZ3-CD2 3.74Å; W442-F460 HydrophobicContact CZ3-CD2 3.74Å; W442-F460 HydrophobicContact CZ3-CE2 4.44Å; W442-F460 HydrophobicContact CZ3-CG 4.07Å; W442-F460 PolarHBondContact N-O 2.84Å; W442-F460 PolarHBondContact O-N 3.35Å; L444-F460 HydrophobicContact CB-CD2 4.33Å; L444-F460 HydrophobicContact CB-CE2 4Å; L444-F460 HydrophobicContact CD2-CE2 4.22Å; R458-F460 HydrophobicContact CB-CE2 3.91Å; R458-F460 HydrophobicContact CB-CZ 4.29Å; F460-S477 CarbonylContact C-O 3.47Å; F460-S477 WeakPolarHBondContact CA-O 3.27Å; F460-A478 HydrophobicContact CD1-CB 4.36Å; F460-A478 HydrophobicContact CE1-CB 4.29Å
461R89.6Confident90.3Very high44 Ų4440.6 Ų40.617%0.16620%0.198CC..EExtended strand (participates in β ladder)trans-84.8134.3170.6-60-175.7173.4-177-11.2109.5E436 Y439 Y475 S477 L479E436-R461 IonicContact OE1-CZ 2.75Å; E436-R461 IonicContact OE1-NH1 2.75Å; E436-R461 PolarHBondContact OE1-NH1 3.27Å; E436-R461 IonicContact OE1-NH2 3.99Å; E436-R461 PolarHBondContact OE1-NH2 2.76Å; E436-R461 IonicContact OE2-CZ 3.37Å; E436-R461 IonicContact OE2-NE 2.82Å; E436-R461 IonicContact OE2-NH1 3.3Å; E436-R461 PolarHBondContact OE2-NH1 2.98Å; E436-R461 IonicContact OE2-NH2 3.33Å; E436-R461 PolarHBondContact OE2-NH2 2.99Å; Y439-R461 HydrophobicContact CD1-CB 4.11Å; Y439-R461 HydrophobicContact CG-CB 4.35Å; R461-Y475 HydrophobicContact CB-CE2 4.22Å; R461-Y475 PolarHBondContact O-OH 3.13Å; R461-S477 PolarHBondContact N-O 2.78Å; R461-L479 HydrophobicContact CB-CD1 4.48Å; R461-L479 HydrophobicContact CG-CD1 3.49Å; R461-L479 VanDerWaalsContact CG-CD1 3.49Å; R461-L479 HydrophobicContact CG-CD2 4.09Å; R461-L479 HydrophobicContact CG-CG 3.46Å; R461-L479 VanDerWaalsContact CG-CG 3.46Å
462K89.4Confident89.9Confident18 Ų1836.4 Ų36.48%0.07818%0.182CC..EExtended strand (participates in β ladder)trans-122.6140.5167.1-62.5-169.870.41700109.1S333 E377 Y439 E440 W442S333-K462 PolarHBondContact O-NZ 2.96Å; S333-K462 PolarHBondContact OG-NZ 3.4Å; E377-K462 WeakPolarHBondContact OE1-CE 3.37Å; E377-K462 IonicContact OE1-NZ 3.53Å; E377-K462 WeakPolarHBondContact OE2-CE 3.03Å; E377-K462 IonicContact OE2-NZ 2.67Å; E377-K462 PolarHBondContact OE2-NZ 2.88Å; Y439-K462 CarbonylContact C-O 3.51Å; Y439-K462 VanDerWaalsContact CA-O 3.24Å; Y439-K462 WeakPolarHBondContact CA-O 3.15Å; E440-K462 HydrophobicContact CG-CB 4.1Å; E440-K462 PolarHBondContact N-O 3.05Å; E440-K462 PolarHBondContact O-N 3.16Å; W442-K462 HydrophobicContact CB-CD 3.4Å; W442-K462 HydrophobicContact CB-CG 3.7Å; W442-K462 HydrophobicContact CD2-CD 3.9Å; W442-K462 HydrophobicContact CE3-CD 3.93Å; W442-K462 HydrophobicContact CE3-CG 4.24Å; W442-K462 HydrophobicContact CG-CD 3.66Å; W442-K462 HydrophobicContact CG-CG 4.37Å
463R90.8Very high89.4Confident16 Ų1643.1 Ų43.16%0.0621%0.208CC..EExtended strand (participates in β ladder)trans-73.8132.4177.2-172.5178.570.6-162.2-4.8107.5D353 G356 I375 Y439 A467 C469D353-R463 IonicContact OD2-NH1 3.51Å; G356-R463 PolarHBondContact O-NH2 2.94Å; I375-R463 PolarHBondContact O-NH2 2.86Å; Y439-R463 HydrophobicContact CD1-CB 4.44Å; Y439-R463 HydrophobicContact CE1-CB 4.41Å; R463-A467 WeakPolarHBondContact CD-O 3.37Å; R463-A467 HydrophobicContact CG-CB 4.15Å; R463-A467 PolarHBondContact NE-O 2.84Å; R463-C469 PolarHBondContact NH1-O 3Å
464K90.7Very high88.6Confident73 Ų7347.5 Ų47.532%0.31724%0.24SC..  trans-62.4143.1176.4-69.9172.3178.6165.90110.4S437 D438 Y439 E440 S466 A467S437-K464 PolarHBondContact O-NZ 3.39Å; D438-K464 WeakPolarHBondContact O-CB 3.23Å; D438-K464 WeakPolarHBondContact O-CG 3.42Å; D438-K464 PolarHBondContact O-N 3.14Å; Y439-K464 VanDerWaalsContact O-CE 3.25Å; Y439-K464 WeakPolarHBondContact O-CE 3.5Å; E440-K464 HydrophobicContact CB-CG 4.15Å; E440-K464 HydrophobicContact CG-CG 4.3Å; K464-S466 PolarHBondContact O-N 3.48Å; K464-S466 VanDerWaalsContact O-N 3.13Å; K464-A467 HydrophobicContact CB-CB 4.09Å; K464-A467 WeakPolarHBondContact O-CB 3.35Å; K464-A467 PolarHBondContact O-N 2.87Å
465D85.6Confident88.1Confident75 Ų7548.3 Ų48.340%0.40124%0.242SC..THydrogen-bonded Turntrans-56.5-31176.6-64.2-6000112.7R379 A467R379-D465 IonicContact CZ-OD2 3.95Å; R379-D465 IonicContact NE-OD2 3.59Å; R379-D465 IonicContact NH1-OD1 3.45Å; R379-D465 IonicContact NH1-OD2 2.76Å; R379-D465 PolarHBondContact NH1-OD2 2.92Å; D465-A467 VanDerWaalsContact C-N 3.34Å
466S84.3Confident87.5Confident101 Ų10152.2 Ų52.271%0.70627%0.266SS*.THydrogen-bonded Turntrans-83.3-4.3178.258.40000114.4K464K464-S466 PolarHBondContact O-N 3.48Å; K464-S466 VanDerWaalsContact O-N 3.13Å
467A89.2Confident86.8Confident5 Ų550 Ų504%0.04126%0.262CS..  trans-100.7102-175.400000112D438 R463 K464 D465 C469D438-A467 HydrophobicContact CB-CB 3.8Å; R463-A467 WeakPolarHBondContact CD-O 3.37Å; R463-A467 HydrophobicContact CG-CB 4.15Å; R463-A467 PolarHBondContact NE-O 2.84Å; K464-A467 HydrophobicContact CB-CB 4.09Å; K464-A467 WeakPolarHBondContact O-CB 3.35Å; K464-A467 PolarHBondContact O-N 2.87Å; D465-A467 VanDerWaalsContact C-N 3.34Å; A467-C469 PolarHBondContact O-N 2.9Å
468F88.8Confident86.1Confident110 Ų11049.3 Ų49.348%0.48227%0.27SS..  trans-89.483.1175.7-65.5-100.7000110.4I375I375-F468 HydrophobicContact CD1-CD1 3.75Å; I375-F468 HydrophobicContact CD1-CE1 3.2Å; I375-F468 HydrophobicContact CD1-CZ 4.03Å
469C90.4Very high85.4Confident0 Ų050.6 Ų50.60%028%0.279CS..  trans-148.3158.8-178.6600000112.3R432 C434 R463 A467R432-C469 HydrophobicContact CG-CB 4.09Å; R432-C469 VanDerWaalsContact O-CA 3.26Å; R432-C469 WeakPolarHBondContact O-CA 3.42Å; R432-C469 WeakPolarHBondContact O-CB 3.47Å; C434-C469 WeakPolarHBondContact CA-SG 3.29Å; C434-C469 HydrophobicContact CB-CB 3.92Å; C434-C469 WeakPolarHBondContact CB-SG 3.5Å; C434-C469 WeakPolarHBondContact SG-CB 3.47Å; C434-C469 PolarHBondContact SG-O 2.88Å; C434-C469 CovalentContact SG-SG 2.04Å; C434-C469 PolarHBondContact SG-SG 2.94Å; R463-C469 PolarHBondContact NH1-O 3Å; A467-C469 PolarHBondContact O-N 2.9Å
470V90.7Very high84.7Confident23 Ų2353 Ų5314%0.13929%0.294CS..BIsolated β-bridgetrans-86131176.5-172.10000109.9D353 L405 F430 R432 Q433 C434D353-V470 WeakPolarHBondContact OD1-CG1 3.47Å; D353-V470 WeakPolarHBondContact OD2-CA 3.4Å; L405-V470 HydrophobicContact CD1-CG1 4.19Å; L405-V470 HydrophobicContact CD1-CG2 3.71Å; F430-V470 HydrophobicContact CB-CG2 3.45Å; F430-V470 VanDerWaalsContact CB-CG2 3.45Å; F430-V470 HydrophobicContact CG-CG2 4.23Å; R432-V470 PolarHBondContact O-N 2.73Å; Q433-V470 VanDerWaalsContact CD-O 3.23Å; Q433-V470 PolarHBondContact NE2-O 2.82Å; Q433-V470 VanDerWaalsContact NE2-O 3.16Å; C434-V470 WeakPolarHBondContact CB-O 3.47Å; C434-V470 PolarHBondContact N-O 2.82Å; C434-V470 VanDerWaalsContact SG-C 3.55Å; C434-V470 PolarHBondContact SG-O 2.98Å; C434-V470 VanDerWaalsContact SG-O 3.37Å
471K89.3Confident84.5Confident13 Ų1354.3 Ų54.36%0.05731%0.308CS..  trans-70.2-45.6176-58.6-178.6-172.11740110.8D353 H354 Q433 Y439 Y475D353-K471 WeakPolarHBondContact O-CD 3.41Å; D353-K471 WeakPolarHBondContact OD1-CB 3.37Å; D353-K471 PolarHBondContact OD1-N 3.44Å; D353-K471 VanDerWaalsContact OD1-N 3.09Å; D353-K471 PolarHBondContact OD2-N 2.99Å; H354-K471 HydrophobicContact CB-CD 4.16Å; H354-K471 PolarHBondContact O-NZ 3.37Å; Q433-K471 PolarHBondContact NE2-O 3.49Å; Y439-K471 HydrophobicContact CE1-CG 4.32Å; K471-Y475 HydrophobicContact CB-CD1 4.37Å; K471-Y475 HydrophobicContact CB-CD2 3.95Å; K471-Y475 HydrophobicContact CB-CG 3.83Å; K471-Y475 HydrophobicContact CD-CD1 4.07Å; K471-Y475 HydrophobicContact CD-CD2 4.18Å; K471-Y475 HydrophobicContact CD-CE1 3.92Å; K471-Y475 HydrophobicContact CD-CE2 4.03Å; K471-Y475 HydrophobicContact CD-CG 4.19Å; K471-Y475 HydrophobicContact CG-CD2 4.32Å; K471-Y475 HydrophobicContact CG-CE2 4.47Å; K471-Y475 HydrophobicContact CG-CG 4.49Å
472G82.6Confident84.6Confident6 Ų655.3 Ų55.36%0.06232%0.319CS..  trans61.1-172.9172.900000116D353 S474 Y475D353-G472 PolarHBondContact OD1-N 3.43Å; G472-S474 VanDerWaalsContact C-N 3.33Å; G472-S474 PolarHBondContact O-N 2.91Å; G472-Y475 WeakPolarHBondContact O-CB 3.5Å; G472-Y475 PolarHBondContact O-N 2.7Å
473K81.4Confident84.8Confident164 Ų16457.3 Ų57.371%0.71333%0.334SS*.THydrogen-bonded Turntrans-58.9-34.3-163.1-48.1-151.3161.3-1580116.2E403 Y475E403-K473 HydrophobicContact CB-CG 4.42Å; E403-K473 HydrophobicContact CG-CG 4.41Å; E403-K473 WeakPolarHBondContact OE2-CD 3.42Å; E403-K473 WeakPolarHBondContact OE2-CE 3.48Å; E403-K473 WeakPolarHBondContact OE2-CG 3.37Å; E403-K473 IonicContact OE2-NZ 3.08Å; K473-Y475 PolarHBondContact O-N 2.66Å
474S74.9Confident84.9Confident104 Ų10457.4 Ų57.473%0.72734%0.336SS*.THydrogen-bonded Turntrans-85.38.7-178.360.50000113G472 T476G472-S474 VanDerWaalsContact C-N 3.33Å; G472-S474 PolarHBondContact O-N 2.91Å; S474-T476 PolarHBondContact O-N 2.9Å
475Y79.6Confident85.1Confident23 Ų2359.6 Ų59.69%0.0935%0.348CS..  trans-71.3123.4-177.8177.8-108.6000111.4H354 Y439 R461 K471 G472 K473H354-Y475 HydrophobicContact CB-CD1 3.85Å; H354-Y475 HydrophobicContact CB-CE1 4.08Å; H354-Y475 AromaticContact CG-CD1 3.82Å; Y439-Y475 HydrophobicContact CD1-CE2 4.21Å; Y439-Y475 AromaticContact CE1-CD2 3.99Å; Y439-Y475 HydrophobicContact CE1-CD2 3.99Å; Y439-Y475 AromaticContact CE1-CE2 3.49Å; Y439-Y475 HydrophobicContact CE1-CE2 3.49Å; Y439-Y475 VanDerWaalsContact CE1-CE2 3.49Å; Y439-Y475 AromaticContact CZ-CD2 3.9Å; Y439-Y475 AromaticContact CZ-CE2 3.88Å; Y439-Y475 WeakPolarHBondContact OH-CD2 3.38Å; R461-Y475 HydrophobicContact CB-CE2 4.22Å; R461-Y475 PolarHBondContact O-OH 3.13Å; K471-Y475 HydrophobicContact CB-CD1 4.37Å; K471-Y475 HydrophobicContact CB-CD2 3.95Å; K471-Y475 HydrophobicContact CB-CG 3.83Å; K471-Y475 HydrophobicContact CD-CD1 4.07Å; K471-Y475 HydrophobicContact CD-CD2 4.18Å; K471-Y475 HydrophobicContact CD-CE1 3.92Å; K471-Y475 HydrophobicContact CD-CE2 4.03Å; K471-Y475 HydrophobicContact CD-CG 4.19Å; K471-Y475 HydrophobicContact CG-CD2 4.32Å; K471-Y475 HydrophobicContact CG-CE2 4.47Å; K471-Y475 HydrophobicContact CG-CG 4.49Å; G472-Y475 WeakPolarHBondContact O-CB 3.5Å; G472-Y475 PolarHBondContact O-N 2.7Å; K473-Y475 PolarHBondContact O-N 2.66Å
476T78.6Confident85.5Confident82 Ų8256.7 Ų56.750%0.50333%0.333SS..  trans-114.4122.4169.857.50000109.1S474S474-T476 PolarHBondContact O-N 2.9Å
477S77.3Confident85.8Confident28 Ų2854.2 Ų54.220%0.19631%0.314CS..  trans-76.9-35.1-175.563.80000113.3P309 F460 R461P309-S477 VanDerWaalsContact CG-CB 3.49Å; F460-S477 CarbonylContact C-O 3.47Å; F460-S477 WeakPolarHBondContact CA-O 3.27Å; R461-S477 PolarHBondContact N-O 2.78Å
478A78.8Confident85.7Confident60 Ų6057.9 Ų57.950%0.49633%0.333SS..EExtended strand (participates in β ladder)trans-83.1123.8178.900000111.6F460F460-A478 HydrophobicContact CD1-CB 4.36Å; F460-A478 HydrophobicContact CE1-CB 4.29Å
479L77Confident85.6Confident73 Ų7356.3 Ų56.338%0.38233%0.33SS..EExtended strand (participates in β ladder)trans-86.8-56.9175.4-89.3152.8000111.4T459 R461T459-L479 HydrophobicContact CG2-CD1 4.14Å; T459-L479 WeakPolarHBondContact O-CB 3.22Å; T459-L479 PolarHBondContact O-N 2.7Å; R461-L479 HydrophobicContact CB-CD1 4.48Å; R461-L479 HydrophobicContact CG-CD1 3.49Å; R461-L479 VanDerWaalsContact CG-CD1 3.49Å; R461-L479 HydrophobicContact CG-CD2 4.09Å; R461-L479 HydrophobicContact CG-CG 3.46Å; R461-L479 VanDerWaalsContact CG-CG 3.46Å
480T79.3Confident85.6Confident79 Ų7956.5 Ų56.549%0.48533%0.331SS..EExtended strand (participates in β ladder)trans-147.2138.3-169-43.40000108.9T459 T482T459-T480 PolarHBondContact N-O 2.88Å; T480-T482 HydrophobicContact CG2-CG2 3.91Å
481A86.4Confident85.5Confident44 Ų4455.6 Ų55.636%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-13296.9172.100000108.9R456 E457R456-A481 PolarHBondContact NH2-O 2.82Å; E457-A481 WeakPolarHBondContact O-CA 3.41Å
482T91.2Very high85.6Confident65 Ų6555.4 Ų55.440%0.39932%0.324SS..EExtended strand (participates in β ladder)trans-94.9133.9-179.946.70000110.7R456 E457 T480R456-T482 CarbonylContact C-O 3.55Å; R456-T482 VanDerWaalsContact CA-O 3.27Å; R456-T482 WeakPolarHBondContact CA-O 3.46Å; E457-T482 PolarHBondContact N-O 2.78Å; E457-T482 PolarHBondContact O-N 2.77Å; T480-T482 HydrophobicContact CG2-CG2 3.91Å
483P93.8Very high86Confident60 Ų6055.5 Ų55.539%0.3932%0.324SS..EExtended strand (participates in β ladder)trans-68.3147.3176.129.7-33.9000111G455 E543G455-P483 WeakPolarHBondContact O-CA 3.09Å; P483-E543 HydrophobicContact CB-CG 4.2Å
484C93.6Very high86.5Confident17 Ų1749.4 Ų49.412%0.11530%0.299CS..  trans-104.3170.8172.3-32.60000111.6C452 G455 C542 E543C452-C484 VanDerWaalsContact CA-SG 3.59Å; C452-C484 HydrophobicContact CB-CB 3.9Å; C452-C484 WeakPolarHBondContact CB-SG 3.39Å; C452-C484 WeakPolarHBondContact SG-CB 2.79Å; C452-C484 CovalentContact SG-SG 2.02Å; C452-C484 PolarHBondContact SG-SG 3.24Å; G455-C484 VanDerWaalsContact C-SG 3.52Å; G455-C484 PolarHBondContact O-N 2.87Å; C484-C542 CarbonylContact O-C 3.54Å; C484-C542 VanDerWaalsContact O-CA 3.3Å; C484-C542 WeakPolarHBondContact O-CA 3.46Å; C484-E543 PolarHBondContact O-N 2.61Å
485Q94.9Very high87.3Confident119 Ų11946.2 Ų46.256%0.55627%0.271SS*.  trans-70.2144.2164.5-61.2-61.2-65.700110.9E543 G544Q485-E543 WeakPolarHBondContact CA-O 3.29Å; Q485-E543 PolarHBondContact NE2-O 2.84Å; Q485-E543 PolarHBondContact OE1-O 3.41Å; Q485-G544 VanDerWaalsContact OE1-C 3.31Å
486C92.9Very high87.8Confident14 Ų1445.4 Ų45.410%0.09527%0.271CS..BIsolated β-bridgetrans-70.4139.2177.7-60.90000112F491 C542 G544 L546C486-F491 HydrophobicContact CB-CE2 4.32Å; C486-C542 WeakPolarHBondContact CA-SG 3.48Å; C486-C542 HydrophobicContact CB-CB 3.89Å; C486-C542 WeakPolarHBondContact CB-SG 3.38Å; C486-C542 WeakPolarHBondContact SG-CB 3.43Å; C486-C542 PolarHBondContact SG-O 3.42Å; C486-C542 VanDerWaalsContact SG-O 3.41Å; C486-C542 CovalentContact SG-SG 2.03Å; C486-C542 PolarHBondContact SG-SG 2.89Å; C486-G544 WeakPolarHBondContact CB-O 3.45Å; C486-G544 PolarHBondContact N-O 2.88Å; C486-G544 PolarHBondContact SG-O 2.93Å; C486-G544 VanDerWaalsContact SG-O 3.33Å; C486-L546 VanDerWaalsContact CB-O 3.26Å; C486-L546 WeakPolarHBondContact CB-O 3.4Å; C486-L546 WeakPolarHBondContact O-CB 3.19Å; C486-L546 PolarHBondContact O-N 2.92Å
487T90.8Very high88.4Confident49 Ų4942.3 Ų42.330%0.30125%0.25SC..  trans-125.3175.8-17968.40000111N489 D490 F491T487-N489 PolarHBondContact O-N 2.96Å; T487-N489 PolarHBondContact OG1-N 3.17Å; T487-D490 PolarHBondContact N-OD2 3.26Å; T487-D490 PolarHBondContact O-N 2.98Å; T487-D490 PolarHBondContact OG1-OD2 2.69Å; T487-F491 VanDerWaalsContact O-CD2 3.28Å; T487-F491 WeakPolarHBondContact O-CD2 3.3Å
488D87.6Confident88.9Confident83 Ų8344.9 Ų44.944%0.44426%0.259SS..G310 helixtrans-56.7-28.6172.9-66.7-79000113.5R260 D490 F491 L546 K548R260-D488 PolarHBondContact NH2-O 3.05Å; D488-D490 PolarHBondContact O-N 3.45Å; D488-F491 PolarHBondContact O-N 3Å; D488-L546 WeakPolarHBondContact OD1-CD2 3.17Å; D488-K548 WeakPolarHBondContact OD1-CE 3.42Å; D488-K548 IonicContact OD1-NZ 3.16Å; D488-K548 PolarHBondContact OD1-NZ 3.05Å
489N85.8Confident89.3Confident77 Ų7746 Ų4641%0.41225%0.25SS..G310 helixtrans-74.7-12.4-178.2-73.2-26.1000114.2R260 T487 F491R260-N489 WeakPolarHBondContact CD-O 3.36Å; R260-N489 VanDerWaalsContact CZ-CA 3.43Å; R260-N489 PolarHBondContact NE-O 2.87Å; R260-N489 PolarHBondContact NH1-OD1 2.67Å; T487-N489 PolarHBondContact O-N 2.96Å; T487-N489 PolarHBondContact OG1-N 3.17Å; N489-F491 VanDerWaalsContact C-N 3.34Å
490D90.9Very high89.1Confident4 Ų444 Ų442%0.02124%0.242CC..G310 helixtrans-90.3-0.1-179.9-59.5-59.8000113.1T487 D488 V537 N540T487-D490 PolarHBondContact N-OD2 3.26Å; T487-D490 PolarHBondContact O-N 2.98Å; T487-D490 PolarHBondContact OG1-OD2 2.69Å; D488-D490 PolarHBondContact O-N 3.45Å; D490-V537 WeakPolarHBondContact O-CG2 3.42Å; D490-V537 PolarHBondContact O-N 2.75Å; D490-N540 WeakPolarHBondContact CB-ND2 3.48Å; D490-N540 PolarHBondContact OD1-ND2 2.78Å
491F89.9Confident88.6Confident4 Ų448.4 Ų48.42%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-121.2140.9-179.8-60.9-93.5000112.2R260 C486 T487 D488 N489 Y534 R535 K536 L546 K548 Q549R260-F491 PolarHBondContact NE-O 3.33Å; C486-F491 HydrophobicContact CB-CE2 4.32Å; T487-F491 VanDerWaalsContact O-CD2 3.28Å; T487-F491 WeakPolarHBondContact O-CD2 3.3Å; D488-F491 PolarHBondContact O-N 3Å; N489-F491 VanDerWaalsContact C-N 3.34Å; F491-Y534 HydrophobicContact CB-CD1 4.36Å; F491-R535 CarbonylContact C-O 3.59Å; F491-R535 WeakPolarHBondContact CA-O 3.38Å; F491-K536 HydrophobicContact CD1-CB 4.07Å; F491-K536 HydrophobicContact CE1-CB 3.92Å; F491-K536 HydrophobicContact CE1-CG 4.45Å; F491-L546 WeakPolarHBondContact CE2-O 3.48Å; F491-L546 WeakPolarHBondContact CZ-O 3.33Å; F491-K548 HydrophobicContact CB-CD 4.29Å; F491-K548 HydrophobicContact CD1-CB 4.04Å; F491-K548 HydrophobicContact CD2-CB 4.45Å; F491-K548 HydrophobicContact CD2-CD 4.31Å; F491-K548 HydrophobicContact CD2-CG 4.25Å; F491-K548 HydrophobicContact CE1-CB 4.18Å; F491-K548 HydrophobicContact CE2-CG 4.48Å; F491-K548 HydrophobicContact CG-CB 4.2Å; F491-K548 HydrophobicContact CG-CD 4.27Å; F491-K548 HydrophobicContact CG-CG 4.37Å; F491-K548 HydrophobicContact CZ-CB 4.46Å; F491-Q549 HydrophobicContact CD1-CG 4.46Å; F491-Q549 HydrophobicContact CE1-CG 4.14Å
492I90.2Very high87.4Confident8 Ų852.3 Ų52.34%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-114.5168.5173.252.9166.4000110.5Q201 R260 Y534 R535 V537Q201-I492 VanDerWaalsContact OE1-CD1 3.29Å; R260-I492 HydrophobicContact CB-CG2 3.59Å; R260-I492 HydrophobicContact CG-CG2 3.61Å; I492-Y534 WeakPolarHBondContact O-CA 3.25Å; I492-R535 HydrophobicContact CD1-CG 4.02Å; I492-R535 VanDerWaalsContact CD1-NE 3.3Å; I492-R535 HydrophobicContact CG1-CG 3.6Å; I492-R535 PolarHBondContact N-O 2.61Å; I492-R535 PolarHBondContact O-N 2.98Å; I492-V537 HydrophobicContact CB-CG2 4.4Å; I492-V537 HydrophobicContact CG1-CG2 4.22Å; I492-V537 HydrophobicContact CG2-CG2 3.61Å
493C90.9Very high86Confident9 Ų955.8 Ų55.86%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-69.5140.2172.7-55.30000110.4F497 R499 C507 G533C493-F497 HydrophobicContact CB-CB 4.1Å; C493-F497 WeakPolarHBondContact CB-O 3.19Å; C493-R499 WeakPolarHBondContact SG-CG 3.47Å; C493-C507 WeakPolarHBondContact CA-SG 3.17Å; C493-C507 HydrophobicContact CB-CB 3.78Å; C493-C507 WeakPolarHBondContact CB-SG 3.34Å; C493-C507 WeakPolarHBondContact SG-CB 3.27Å; C493-C507 CovalentContact SG-SG 2.04Å; C493-C507 PolarHBondContact SG-SG 3.46Å; C493-G533 WeakPolarHBondContact CA-O 3.34Å
494D91.6Very high84.5Confident36 Ų3654.9 Ų54.919%0.19330%0.296CS..PPolyproline II helixtrans-82.9172.6177.8-1594.9000111.3G496 F497 S531 G533 R535D494-G496 PolarHBondContact O-N 3.34Å; D494-F497 HydrophobicContact CB-CD2 4.31Å; D494-F497 WeakPolarHBondContact O-CB 3.45Å; D494-F497 PolarHBondContact O-N 2.91Å; D494-S531 WeakPolarHBondContact CB-OG 3.28Å; D494-S531 VanDerWaalsContact OD2-CB 3.31Å; D494-S531 WeakPolarHBondContact OD2-CB 3.41Å; D494-S531 PolarHBondContact OD2-OG 3.08Å; D494-G533 PolarHBondContact N-O 3.35Å; D494-R535 HydrophobicContact CB-CB 4.44Å; D494-R535 HydrophobicContact CB-CG 4.45Å
495Y91.8Very high83.5Confident36 Ų3657.5 Ų57.514%0.14131%0.309CS..THydrogen-bonded Turntrans-55.8129.3178.2171.4-96.8000112.1R164 F165 Y208 Y209 F497 W512 F513R164-Y495 HydrophobicContact CB-CE2 3.98Å; F165-Y495 PolarHBondContact O-OH 3.18Å; Y208-Y495 AromaticContact CD1-CD1 3.84Å; Y208-Y495 HydrophobicContact CD1-CD1 3.84Å; Y208-Y495 HydrophobicContact CD1-CD2 4.26Å; Y208-Y495 HydrophobicContact CD1-CE1 4.27Å; Y208-Y495 AromaticContact CD1-CG 3.83Å; Y208-Y495 HydrophobicContact CD1-CG 3.83Å; Y208-Y495 HydrophobicContact CE1-CD1 4.35Å; Y209-Y495 WeakPolarHBondContact O-CD2 3.2Å; Y495-F497 VanDerWaalsContact C-N 3.33Å; Y495-F497 WeakPolarHBondContact O-CD2 3.33Å; Y495-W512 HydrophobicContact CE1-CH2 4.04Å; Y495-W512 HydrophobicContact CE1-CZ3 4.08Å; Y495-W512 AromaticContact CE2-CH2 3.94Å; Y495-W512 HydrophobicContact CE2-CH2 3.94Å; Y495-W512 AromaticContact CZ-CH2 3.65Å; Y495-W512 AromaticContact CZ-CZ3 3.85Å; Y495-F513 HydrophobicContact CD1-CD2 4.36Å; Y495-F513 AromaticContact CD1-CE2 3.95Å; Y495-F513 HydrophobicContact CD1-CE2 3.95Å; Y495-F513 HydrophobicContact CE1-CD2 4.12Å; Y495-F513 AromaticContact CE1-CE2 3.95Å; Y495-F513 HydrophobicContact CE1-CE2 3.95Å
496G90.9Very high83.1Confident7 Ų759.2 Ų59.27%0.07231%0.31CS..THydrogen-bonded Turntrans82.57.8-176.800000114.6D494 P509 D510D494-G496 PolarHBondContact O-N 3.34Å; G496-P509 WeakPolarHBondContact O-CA 3.39Å; G496-D510 PolarHBondContact O-N 3.43Å
497F90.9Very high82.9Confident16 Ų1659 Ų597%0.0731%0.309CS..EExtended strand (participates in β ladder)trans-122.2141.9174.4-63.4-105000111.4C493 D494 Y495 C507 F508 P509 F513 P515 G533C493-F497 HydrophobicContact CB-CB 4.1Å; C493-F497 WeakPolarHBondContact CB-O 3.19Å; D494-F497 HydrophobicContact CB-CD2 4.31Å; D494-F497 WeakPolarHBondContact O-CB 3.45Å; D494-F497 PolarHBondContact O-N 2.91Å; Y495-F497 VanDerWaalsContact C-N 3.33Å; Y495-F497 WeakPolarHBondContact O-CD2 3.33Å; F497-C507 HydrophobicContact CB-CB 4.21Å; F497-F508 CarbonylContact C-O 3.53Å; F497-F508 WeakPolarHBondContact CA-O 3.28Å; F497-F508 VanDerWaalsContact CD1-C 3.47Å; F497-P509 HydrophobicContact CD1-CB 4.02Å; F497-P509 VanDerWaalsContact CD1-N 3.29Å; F497-P509 HydrophobicContact CE1-CB 3.78Å; F497-P509 HydrophobicContact CE1-CG 4.26Å; F497-P509 HydrophobicContact CZ-CB 4.34Å; F497-F513 HydrophobicContact CD2-CD1 4.33Å; F497-F513 HydrophobicContact CD2-CE1 4.18Å; F497-F513 AromaticContact CE2-CD1 3.9Å; F497-F513 HydrophobicContact CE2-CD1 3.9Å; F497-F513 AromaticContact CE2-CE1 3.45Å; F497-F513 HydrophobicContact CE2-CE1 3.45Å; F497-F513 VanDerWaalsContact CE2-CE1 3.45Å; F497-F513 HydrophobicContact CE2-CZ 4.43Å; F497-F513 HydrophobicContact CZ-CD1 4.39Å; F497-F513 HydrophobicContact CZ-CE1 4.04Å; F497-P515 HydrophobicContact CE1-CG 4.03Å; F497-P515 HydrophobicContact CE2-CG 4.46Å; F497-P515 HydrophobicContact CZ-CB 3.91Å; F497-P515 HydrophobicContact CZ-CG 3.57Å; F497-G533 VanDerWaalsContact CZ-CA 3.45Å
498E88.8Confident82.9Confident83 Ų8359.5 Ų59.539%0.38831%0.307SS..EExtended strand (participates in β ladder)trans-129.6161.8179.3-63.7-168.1169.300111.4C507 F508E498-C507 CarbonylContact O-C 3.22Å; E498-C507 WeakPolarHBondContact O-CA 3.46Å; E498-F508 PolarHBondContact N-O 3.39Å; E498-F508 PolarHBondContact O-N 2.86Å
499R85.8Confident83Confident83 Ų8358.6 Ų58.631%0.31331%0.306SS..EExtended strand (participates in β ladder)trans-83.8141.2175.9-64179.6178-144.9-17.6109.4R260 C493 D505R260-R499 VanDerWaalsContact CG-NH2 3.26Å; R260-R499 VanDerWaalsContact NE-NH2 3.17Å; R260-R499 PolarHBondContact O-NH1 3.21Å; C493-R499 WeakPolarHBondContact SG-CG 3.47Å; R499-D505 IonicContact CZ-OD1 3.63Å; R499-D505 IonicContact NE-OD1 2.65Å; R499-D505 IonicContact NH1-OD1 3.96Å; R499-D505 PolarHBondContact NH1-OD1 2.86Å; R499-D505 IonicContact NH2-OD1 2.64Å; R499-D505 PolarHBondContact NH2-OD1 2.02Å
500S74.2Confident83.2Confident30 Ų3056.6 Ų56.621%0.2130%0.295CS..  trans-88.5128.5171.9178.70000110.6T502 E503S500-T502 PolarHBondContact O-N 3.39Å; S500-T502 PolarHBondContact OG-N 2.89Å; S500-T502 PolarHBondContact OG-OG1 3.25Å; S500-T502 VanDerWaalsContact OG-OG1 3.08Å; S500-E503 PolarHBondContact OG-N 3.45Å
501D67.4Low83.1Confident172 Ų17264.1 Ų64.192%0.9233%0.328SS*.SBendtrans-66.6-22.9171.3-68.9-29.6000112.8
502T62.6Low83.1Confident127 Ų12765.8 Ų65.878%0.77933%0.334SS*.SBendtrans-102.9-30.5-17252.80000114.1S500S500-T502 PolarHBondContact O-N 3.39Å; S500-T502 PolarHBondContact OG-N 2.89Å; S500-T502 PolarHBondContact OG-OG1 3.25Å; S500-T502 VanDerWaalsContact OG-OG1 3.08Å
503E61Low83.1Confident137 Ų13767.6 Ų67.664%0.6434%0.342SS*.SBendtrans-105.714-173.7-62.3-168.6-179.200113.9S500 F508S500-E503 PolarHBondContact OG-N 3.45Å; E503-F508 HydrophobicContact CB-CE2 4.03Å; E503-F508 HydrophobicContact CB-CZ 4Å; E503-F508 WeakPolarHBondContact OE2-CZ 3.43Å
504G61.9Low82.9Confident42 Ų4271.4 Ų71.443%0.43336%0.362SS..  trans86.9-169.7177.300000114R506G504-R506 PolarHBondContact O-N 2.92Å
505D72.7Confident82.6Confident72 Ų7271.4 Ų71.439%0.38536%0.363SS..SBendtrans-73.634.1-173.5-161.831.7000114.2R260 R499R260-D505 IonicContact CZ-OD2 3.35Å; R260-D505 IonicContact NH1-OD2 2.78Å; R260-D505 IonicContact NH2-OD2 2.76Å; R260-D505 PolarHBondContact NH2-OD2 3Å; R499-D505 IonicContact CZ-OD1 3.63Å; R499-D505 IonicContact NE-OD1 2.65Å; R499-D505 IonicContact NH1-OD1 3.96Å; R499-D505 PolarHBondContact NH1-OD1 2.86Å; R499-D505 IonicContact NH2-OD1 2.64Å; R499-D505 PolarHBondContact NH2-OD1 2.02Å
506R85.6Confident82Confident154 Ų15476.7 Ų76.758%0.58139%0.389SS*.  trans-96.3141.1179.6-165.5-178.7177.6162.5-0.7110.5G504 F508 Y534G504-R506 PolarHBondContact O-N 2.92Å; R506-F508 HydrophobicContact CB-CD2 4.49Å; R506-F508 HydrophobicContact CB-CE2 3.75Å; R506-F508 HydrophobicContact CB-CZ 4.06Å; R506-F508 HydrophobicContact CG-CE2 4.15Å; R506-F508 HydrophobicContact CG-CZ 4.12Å; R506-F508 WeakPolarHBondContact O-CD2 3.4Å; R506-Y534 WeakPolarHBondContact CA-OH 3.01Å; R506-Y534 WeakPolarHBondContact CG-OH 3.01Å
507C89.5Confident81.6Confident9 Ų979 Ų796%0.06140%0.404CS..EExtended strand (participates in β ladder)trans-90.5125.6177.3-59.80000109.8C493 F497 E498 G533 Y534C493-C507 WeakPolarHBondContact CA-SG 3.17Å; C493-C507 HydrophobicContact CB-CB 3.78Å; C493-C507 WeakPolarHBondContact CB-SG 3.34Å; C493-C507 WeakPolarHBondContact SG-CB 3.27Å; C493-C507 CovalentContact SG-SG 2.04Å; C493-C507 PolarHBondContact SG-SG 3.46Å; F497-C507 HydrophobicContact CB-CB 4.21Å; E498-C507 CarbonylContact O-C 3.22Å; E498-C507 WeakPolarHBondContact O-CA 3.46Å; C507-G533 WeakPolarHBondContact CB-O 3.2Å; C507-Y534 HydrophobicContact CB-CD1 4.3Å; C507-Y534 HydrophobicContact CB-CE1 3.85Å; C507-Y534 HydrophobicContact CB-CE2 4.26Å; C507-Y534 PolarHBondContact N-OH 2.87Å; C507-Y534 WeakPolarHBondContact SG-CE1 3.45Å
508F90.1Very high81.2Confident61 Ų6180.3 Ų80.327%0.26842%0.415SS..EExtended strand (participates in β ladder)trans-116.6142.5178.6-65.2-87.2000110F497 E498 E503 R506 D510F497-F508 CarbonylContact C-O 3.53Å; F497-F508 WeakPolarHBondContact CA-O 3.28Å; F497-F508 VanDerWaalsContact CD1-C 3.47Å; E498-F508 PolarHBondContact N-O 3.39Å; E498-F508 PolarHBondContact O-N 2.86Å; E503-F508 HydrophobicContact CB-CE2 4.03Å; E503-F508 HydrophobicContact CB-CZ 4Å; E503-F508 WeakPolarHBondContact OE2-CZ 3.43Å; R506-F508 HydrophobicContact CB-CD2 4.49Å; R506-F508 HydrophobicContact CB-CE2 3.75Å; R506-F508 HydrophobicContact CB-CZ 4.06Å; R506-F508 HydrophobicContact CG-CE2 4.15Å; R506-F508 HydrophobicContact CG-CZ 4.12Å; R506-F508 WeakPolarHBondContact O-CD2 3.4Å; F508-D510 PolarHBondContact O-N 2.95Å
509P90.7Very high80.8Confident64 Ų6478.3 Ų78.342%0.41641%0.409SS..EExtended strand (participates in β ladder)trans-63.8130.6174.427.8-32.9000108.9G496 F497 P515G496-P509 WeakPolarHBondContact O-CA 3.39Å; F497-P509 HydrophobicContact CD1-CB 4.02Å; F497-P509 VanDerWaalsContact CD1-N 3.29Å; F497-P509 HydrophobicContact CE1-CB 3.78Å; F497-P509 HydrophobicContact CE1-CG 4.26Å; F497-P509 HydrophobicContact CZ-CB 4.34Å; P509-P515 HydrophobicContact CB-CG 3.67Å; P509-P515 HydrophobicContact CG-CG 4.16Å
510D89.2Confident80.3Confident35 Ų3578.4 Ų78.419%0.18741%0.413CS..  trans-69.7156.5176-163.3-7.5000110G496 F508 W512 F513G496-D510 PolarHBondContact O-N 3.43Å; F508-D510 PolarHBondContact O-N 2.95Å; D510-W512 VanDerWaalsContact CG-CD1 3.49Å; D510-W512 VanDerWaalsContact CG-NE1 3.27Å; D510-W512 PolarHBondContact O-N 3.25Å; D510-W512 VanDerWaalsContact OD2-CD1 3.23Å; D510-W512 PolarHBondContact OD2-NE1 3.46Å; D510-F513 PolarHBondContact O-N 3.35Å
511F89.8Confident80.1Confident162 Ų16280.5 Ų80.571%0.71143%0.427SS*.THydrogen-bonded Turntrans-58.8-20.4-170.377.3-89.1000114.1Y168Y168-F511 HydrophobicContact CD2-CE1 4.34Å; Y168-F511 AromaticContact CD2-CE2 3.93Å; Y168-F511 HydrophobicContact CD2-CE2 3.93Å; Y168-F511 AromaticContact CD2-CZ 3.45Å; Y168-F511 HydrophobicContact CD2-CZ 3.45Å; Y168-F511 VanDerWaalsContact CD2-CZ 3.45Å; Y168-F511 AromaticContact CE2-CE2 3.5Å; Y168-F511 HydrophobicContact CE2-CE2 3.5Å; Y168-F511 AromaticContact CE2-CZ 3.55Å; Y168-F511 HydrophobicContact CE2-CZ 3.55Å
512W89.9Confident80.7Confident39 Ų3972.4 Ų72.415%0.14838%0.384CS..THydrogen-bonded Turntrans-96.8-9.7-177.962.2-97000114.1P166 K167 Y168 Y495 D510P166-W512 HydrophobicContact CB-CH2 4.44Å; P166-W512 HydrophobicContact CB-CZ2 3.69Å; P166-W512 HydrophobicContact CG-CZ2 4.48Å; K167-W512 HydrophobicContact CB-CD2 3.76Å; K167-W512 HydrophobicContact CB-CE3 3.54Å; K167-W512 HydrophobicContact CB-CG 4.18Å; K167-W512 HydrophobicContact CB-CZ3 4.1Å; K167-W512 HydrophobicContact CD-CB 4.47Å; K167-W512 HydrophobicContact CD-CE3 4.41Å; Y168-W512 HydrophobicContact CD2-CB 3.93Å; Y168-W512 HydrophobicContact CD2-CG 4.16Å; Y168-W512 HydrophobicContact CE2-CB 3.49Å; Y168-W512 VanDerWaalsContact CE2-CB 3.49Å; Y168-W512 HydrophobicContact CE2-CG 4.22Å; Y495-W512 HydrophobicContact CE1-CH2 4.04Å; Y495-W512 HydrophobicContact CE1-CZ3 4.08Å; Y495-W512 AromaticContact CE2-CH2 3.94Å; Y495-W512 HydrophobicContact CE2-CH2 3.94Å; Y495-W512 AromaticContact CZ-CH2 3.65Å; Y495-W512 AromaticContact CZ-CZ3 3.85Å; D510-W512 VanDerWaalsContact CG-CD1 3.49Å; D510-W512 VanDerWaalsContact CG-NE1 3.27Å; D510-W512 PolarHBondContact O-N 3.25Å; D510-W512 VanDerWaalsContact OD2-CD1 3.23Å; D510-W512 PolarHBondContact OD2-NE1 3.46Å
513F89Confident81.5Confident46 Ų4670.7 Ų70.720%0.20237%0.367CS..  trans-110.5129.8-175.9-174.5-102.7000110.9Y495 F497 D510 P515Y495-F513 HydrophobicContact CD1-CD2 4.36Å; Y495-F513 AromaticContact CD1-CE2 3.95Å; Y495-F513 HydrophobicContact CD1-CE2 3.95Å; Y495-F513 HydrophobicContact CE1-CD2 4.12Å; Y495-F513 AromaticContact CE1-CE2 3.95Å; Y495-F513 HydrophobicContact CE1-CE2 3.95Å; F497-F513 HydrophobicContact CD2-CD1 4.33Å; F497-F513 HydrophobicContact CD2-CE1 4.18Å; F497-F513 AromaticContact CE2-CD1 3.9Å; F497-F513 HydrophobicContact CE2-CD1 3.9Å; F497-F513 AromaticContact CE2-CE1 3.45Å; F497-F513 HydrophobicContact CE2-CE1 3.45Å; F497-F513 VanDerWaalsContact CE2-CE1 3.45Å; F497-F513 HydrophobicContact CE2-CZ 4.43Å; F497-F513 HydrophobicContact CZ-CD1 4.39Å; F497-F513 HydrophobicContact CZ-CE1 4.04Å; D510-F513 PolarHBondContact O-N 3.35Å; F513-P515 HydrophobicContact CD1-CG 4.17Å; F513-P515 HydrophobicContact CE1-CB 4.28Å; F513-P515 HydrophobicContact CE1-CG 4.13Å
514D87.3Confident82.3Confident89 Ų8969.1 Ų69.148%0.47636%0.363SS..  trans-108.5110.2173.5-178.5-2.8000109.3E516 S517D514-E516 PolarHBondContact O-N 2.94Å; D514-E516 PolarHBondContact OD1-N 3Å; D514-S517 WeakPolarHBondContact O-CB 3.26Å; D514-S517 PolarHBondContact O-N 2.93Å; D514-S517 PolarHBondContact O-OG 3.43Å
515P84.6Confident83.2Confident36 Ų3670.7 Ų70.723%0.23438%0.379CS..THydrogen-bonded Turntrans-60.8-21.7179.3-24.935.6000114.9F497 P509 F513 S517F497-P515 HydrophobicContact CE1-CG 4.03Å; F497-P515 HydrophobicContact CE2-CG 4.46Å; F497-P515 HydrophobicContact CZ-CB 3.91Å; F497-P515 HydrophobicContact CZ-CG 3.57Å; P509-P515 HydrophobicContact CB-CG 3.67Å; P509-P515 HydrophobicContact CG-CG 4.16Å; F513-P515 HydrophobicContact CD1-CG 4.17Å; F513-P515 HydrophobicContact CE1-CB 4.28Å; F513-P515 HydrophobicContact CE1-CG 4.13Å; P515-S517 VanDerWaalsContact C-N 3.35Å
516E80.6Confident83.8Confident147 Ų14772.1 Ų72.169%0.68738%0.383SS*.THydrogen-bonded Turntrans-85.7-13.3178.9-59.7-166.7161.600112.1D514 Y528D514-E516 PolarHBondContact O-N 2.94Å; D514-E516 PolarHBondContact OD1-N 3Å; E516-Y528 PolarHBondContact O-OH 3.33Å
517S82.6Confident83.7Confident54 Ų5469.3 Ų69.338%0.37838%0.379SS..SBendtrans-65135.7179.869.20000111.6D514 P515D514-S517 WeakPolarHBondContact O-CB 3.26Å; D514-S517 PolarHBondContact O-N 2.93Å; D514-S517 PolarHBondContact O-OG 3.43Å; P515-S517 VanDerWaalsContact C-N 3.35Å
518P83.1Confident83.5Confident45 Ų4570.4 Ų70.429%0.29238%0.383SS..PPolyproline II helixtrans-69.8146.1176.928.6-34.6000110.8C522 Y528 P558 L560P518-C522 HydrophobicContact CB-CB 4.41Å; P518-Y528 HydrophobicContact CB-CE1 4.12Å; P518-P558 HydrophobicContact CB-CG 3.96Å; P518-P558 HydrophobicContact CG-CG 3.89Å; P518-L560 HydrophobicContact CB-CD2 3.96Å; P518-L560 HydrophobicContact CG-CD2 3.4Å; P518-L560 VanDerWaalsContact CG-CD2 3.4Å
519P80.1Confident83.2Confident41 Ų4174 Ų7427%0.26640%0.4SS..PPolyproline II helixtrans-62.9152.9175.925.4-32.7000111.4S521 C522 Y528P519-S521 PolarHBondContact O-N 2.87Å; P519-C522 HydrophobicContact CG-CB 3.92Å; P519-C522 WeakPolarHBondContact O-CB 3.29Å; P519-C522 PolarHBondContact O-N 3.35Å; P519-Y528 VanDerWaalsContact CD-CD2 3.48Å; P519-Y528 HydrophobicContact CG-CD2 4.24Å; P519-Y528 HydrophobicContact CG-CG 4.15Å
520E73.6Confident82.8Confident84 Ų8471.8 Ų71.839%0.39339%0.387SS..THydrogen-bonded Turntrans-61.1-28.9-178.4-66-177.4-171.600113.2R164 Q590R164-E520 IonicContact CZ-OE1 2.72Å; R164-E520 IonicContact CZ-OE2 2.91Å; R164-E520 VanDerWaalsContact CZ-OE2 3.23Å; R164-E520 VanDerWaalsContact NH1-CD 3.29Å; R164-E520 IonicContact NH1-OE1 2.64Å; R164-E520 PolarHBondContact NH1-OE1 3.2Å; R164-E520 IonicContact NH1-OE2 3.77Å; R164-E520 PolarHBondContact NH1-OE2 3.26Å; R164-E520 IonicContact NH2-OE1 2.72Å; R164-E520 IonicContact NH2-OE2 3.32Å; R164-E520 PolarHBondContact NH2-OE2 2.67Å; E520-Q590 HydrophobicContact CG-CG 4.36Å; E520-Q590 PolarHBondContact OE1-NE2 2.81Å; E520-Q590 PolarHBondContact OE2-NE2 2.99Å
521S70.1Confident82.6Confident74 Ų7471.8 Ų71.852%0.51739%0.389SS..THydrogen-bonded Turntrans-91.711.3178.154.80000114.1P519 H523P519-S521 PolarHBondContact O-N 2.87Å; S521-H523 PolarHBondContact O-CD2 2.87Å; S521-H523 VanDerWaalsContact O-CD2 3.29Å; S521-H523 PolarHBondContact O-N 2.91Å
522C80.9Confident82.5Confident3 Ų365.9 Ų65.92%0.0237%0.367CS..PPolyproline II helixtrans-69.3116.2176.7-133.30000109.7P518 P519 Y528 C557 L560P518-C522 HydrophobicContact CB-CB 4.41Å; P519-C522 HydrophobicContact CG-CB 3.92Å; P519-C522 WeakPolarHBondContact O-CB 3.29Å; P519-C522 PolarHBondContact O-N 3.35Å; C522-Y528 WeakPolarHBondContact SG-CD1 3.36Å; C522-C557 VanDerWaalsContact CA-SG 3.53Å; C522-C557 HydrophobicContact CB-CB 3.86Å; C522-C557 WeakPolarHBondContact CB-SG 3.37Å; C522-C557 WeakPolarHBondContact SG-CA 3.41Å; C522-C557 WeakPolarHBondContact SG-CB 3.31Å; C522-C557 CovalentContact SG-SG 2.03Å; C522-C557 PolarHBondContact SG-SG 3.34Å; C522-L560 HydrophobicContact CB-CD1 4.07Å; C522-L560 WeakPolarHBondContact O-CD1 3.12Å
523H78.3Confident82.4Confident90 Ų9064 Ų6442%0.41736%0.36SS..PPolyproline II helixtrans-102.3145.8175.3-62.6-59.9000112.1S521 G525 Q526 C557 D592S521-H523 PolarHBondContact O-CD2 2.87Å; S521-H523 VanDerWaalsContact O-CD2 3.29Å; S521-H523 PolarHBondContact O-N 2.91Å; H523-G525 PolarHBondContact O-N 3.23Å; H523-Q526 HydrophobicContact CB-CG 4.35Å; H523-Q526 WeakPolarHBondContact O-CB 3.15Å; H523-Q526 PolarHBondContact O-N 3.33Å; H523-C557 WeakPolarHBondContact O-CB 3.39Å; H523-D592 WeakPolarHBondContact CA-OD1 3.23Å; H523-D592 IonicContact ND1-OD1 3.34Å
524L79.8Confident82.5Confident105 Ų10563.2 Ų63.255%0.5536%0.355SS..THydrogen-bonded Turntrans-53.4128.2178.9-168.272.8000112.3Q526 L559 D592L524-Q526 VanDerWaalsContact C-N 3.35Å; L524-L559 HydrophobicContact CD1-CB 4.12Å; L524-D592 PolarHBondContact N-OD1 2.85Å; L524-D592 VanDerWaalsContact N-OD1 3.15Å
525G79.2Confident82.6Confident74 Ų7459.6 Ų59.676%0.76334%0.335SS*.THydrogen-bonded Turntrans90.9-9.1-178.900000114.6H523H523-G525 PolarHBondContact O-N 3.23Å
526Q84.9Confident82.9Confident102 Ų10260.6 Ų60.648%0.47734%0.335SS..  trans-84.1165.1165.5-60.9-178.4-13.800110.6H523 L524 C557H523-Q526 HydrophobicContact CB-CG 4.35Å; H523-Q526 WeakPolarHBondContact O-CB 3.15Å; H523-Q526 PolarHBondContact O-N 3.33Å; L524-Q526 VanDerWaalsContact C-N 3.35Å; Q526-C557 VanDerWaalsContact O-CB 3.27Å; Q526-C557 WeakPolarHBondContact O-CB 3.43Å; Q526-C557 PolarHBondContact O-N 3.08Å; Q526-C557 PolarHBondContact O-SG 3.07Å
527N85Confident83.4Confident95 Ų9553.7 Ų53.751%0.50830%0.304SS..EExtended strand (participates in β ladder)trans-118.1141.9171.4-65.9-22.9000108.6Q554 H555 S556N527-Q554 HydrophobicContact CB-CG 3.94Å; N527-H555 CarbonylContact C-O 3.53Å; N527-H555 WeakPolarHBondContact CA-O 3.4Å; N527-H555 WeakPolarHBondContact CB-O 3.46Å; N527-S556 WeakPolarHBondContact OD1-CA 3.26Å
528Y84.6Confident83.7Confident32 Ų3253.1 Ų53.113%0.12530%0.296CS..EExtended strand (participates in β ladder)trans-115.5158.3171.573.8-78.3000110.3E516 P518 P519 C522 H555E516-Y528 PolarHBondContact O-OH 3.33Å; P518-Y528 HydrophobicContact CB-CE1 4.12Å; P519-Y528 VanDerWaalsContact CD-CD2 3.48Å; P519-Y528 HydrophobicContact CG-CD2 4.24Å; P519-Y528 HydrophobicContact CG-CG 4.15Å; C522-Y528 WeakPolarHBondContact SG-CD1 3.36Å; Y528-H555 HydrophobicContact CD1-CB 3.88Å; Y528-H555 HydrophobicContact CE1-CB 3.39Å; Y528-H555 HydrophobicContact CE2-CB 4.18Å; Y528-H555 HydrophobicContact CG-CB 4.46Å; Y528-H555 PolarHBondContact N-O 3.42Å; Y528-H555 PolarHBondContact O-N 2.85Å
529Q83.3Confident83.9Confident136 Ų13653.2 Ų53.264%0.63630%0.297SS*.EExtended strand (participates in β ladder)trans-105.5127.9172.7-72.8-179.7-26.500108.5K553 Q554Q529-K553 WeakPolarHBondContact CA-O 3.5Å; Q529-Q554 HydrophobicContact CG-CG 4.47Å
530S82.6Confident84.4Confident19 Ų1952 Ų5213%0.13329%0.288CS..  trans-71.3140.5171.947.30000109.7A552 K553 H555S530-A552 WeakPolarHBondContact O-CB 3.34Å; S530-K553 PolarHBondContact N-O 2.9Å; S530-K553 PolarHBondContact OG-O 2.91Å; S530-H555 PolarHBondContact OG-CD2 3.21Å; S530-H555 PolarHBondContact OG-NE2 2.93Å
531S84.9Confident85.2Confident34 Ų3450 Ų5024%0.23828%0.284CS..  trans-67.9137.8175.6-176.50000109.9D494 G533D494-S531 WeakPolarHBondContact CB-OG 3.28Å; D494-S531 VanDerWaalsContact OD2-CB 3.31Å; D494-S531 WeakPolarHBondContact OD2-CB 3.41Å; D494-S531 PolarHBondContact OD2-OG 3.08Å; S531-G533 PolarHBondContact O-N 3.34Å; S531-G533 PolarHBondContact OG-N 3.48Å; S531-G533 VanDerWaalsContact OG-N 3.1Å
532T87.2Confident86.3Confident39 Ų3946.7 Ų46.724%0.23926%0.261CS..  trans-77.4-0.3170.261.20000112.1Y534 K548 S551 A552T532-Y534 VanDerWaalsContact C-N 3.3Å; T532-K548 WeakPolarHBondContact CB-O 3.28Å; T532-K548 PolarHBondContact OG1-O 3.11Å; T532-S551 VanDerWaalsContact CG2-OG 3.31Å; T532-S551 WeakPolarHBondContact CG2-OG 3.42Å; T532-A552 HydrophobicContact CG2-CB 3.96Å; T532-A552 VanDerWaalsContact CG2-N 3.3Å
533G89.1Confident86.8Confident0 Ų052.6 Ų52.60%029%0.288CS..SBendtrans87.6-3.2-169.900000114C493 D494 F497 C507 S531C493-G533 WeakPolarHBondContact CA-O 3.34Å; D494-G533 PolarHBondContact N-O 3.35Å; F497-G533 VanDerWaalsContact CZ-CA 3.45Å; C507-G533 WeakPolarHBondContact CB-O 3.2Å; S531-G533 PolarHBondContact O-N 3.34Å; S531-G533 PolarHBondContact OG-N 3.48Å; S531-G533 VanDerWaalsContact OG-N 3.1Å
534Y90.1Very high87.3Confident29 Ų2950.9 Ų50.911%0.11430%0.295CS..EExtended strand (participates in β ladder)trans-124.8141.2-178.1-64.1-87.1000111.3F491 I492 R506 C507 T532 K548F491-Y534 HydrophobicContact CB-CD1 4.36Å; I492-Y534 WeakPolarHBondContact O-CA 3.25Å; R506-Y534 WeakPolarHBondContact CA-OH 3.01Å; R506-Y534 WeakPolarHBondContact CG-OH 3.01Å; C507-Y534 HydrophobicContact CB-CD1 4.3Å; C507-Y534 HydrophobicContact CB-CE1 3.85Å; C507-Y534 HydrophobicContact CB-CE2 4.26Å; C507-Y534 PolarHBondContact N-OH 2.87Å; C507-Y534 WeakPolarHBondContact SG-CE1 3.45Å; T532-Y534 VanDerWaalsContact C-N 3.3Å; Y534-K548 HydrophobicContact CD1-CD 3.73Å; Y534-K548 HydrophobicContact CD2-CB 4.41Å; Y534-K548 HydrophobicContact CD2-CD 4.2Å; Y534-K548 HydrophobicContact CE1-CD 3.95Å; Y534-K548 HydrophobicContact CE2-CD 4.41Å; Y534-K548 HydrophobicContact CG-CB 4.15Å; Y534-K548 HydrophobicContact CG-CD 3.84Å
535R90.1Very high87.7Confident13 Ų1348.5 Ų48.55%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-128.8143.1166.766.3-178.1-179.4170.27.7110.5Q201 D203 Y208 S210 F491 I492 D494Q201-R535 PolarHBondContact O-NH2 3.17Å; D203-R535 VanDerWaalsContact N-NH1 3.14Å; Y208-R535 PolarHBondContact O-NH1 2.8Å; S210-R535 PolarHBondContact OG-NH2 3.14Å; F491-R535 CarbonylContact C-O 3.59Å; F491-R535 WeakPolarHBondContact CA-O 3.38Å; I492-R535 HydrophobicContact CD1-CG 4.02Å; I492-R535 VanDerWaalsContact CD1-NE 3.3Å; I492-R535 HydrophobicContact CG1-CG 3.6Å; I492-R535 PolarHBondContact N-O 2.61Å; I492-R535 PolarHBondContact O-N 2.98Å; D494-R535 HydrophobicContact CB-CB 4.44Å; D494-R535 HydrophobicContact CB-CG 4.45Å
536K90.6Very high88.1Confident56 Ų5648.2 Ų48.224%0.24328%0.276CS..EExtended strand (participates in β ladder)trans-62.7137.2172.2-173.1172.7177.6173.10108.8F491 I538 N540 C542F491-K536 HydrophobicContact CD1-CB 4.07Å; F491-K536 HydrophobicContact CE1-CB 3.92Å; F491-K536 HydrophobicContact CE1-CG 4.45Å; K536-I538 PolarHBondContact O-N 3.2Å; K536-N540 WeakPolarHBondContact CE-O 3.46Å; K536-N540 HydrophobicContact CG-CB 4.38Å; K536-C542 WeakPolarHBondContact CE-SG 3.27Å; K536-C542 PolarHBondContact NZ-O 2.65Å; K536-C542 PolarHBondContact NZ-SG 2.96Å
537V90.4Very high88.1Confident3 Ų347 Ų472%0.01827%0.273CS..PPolyproline II helixtrans-58.4127.6176.3179.30000108.6K258 M454 D490 I492 N540K258-V537 HydrophobicContact CB-CG1 4.42Å; M454-V537 HydrophobicContact CE-CG1 3.65Å; M454-V537 HydrophobicContact SD-CG1 4.08Å; D490-V537 WeakPolarHBondContact O-CG2 3.42Å; D490-V537 PolarHBondContact O-N 2.75Å; I492-V537 HydrophobicContact CB-CG2 4.4Å; I492-V537 HydrophobicContact CG1-CG2 4.22Å; I492-V537 HydrophobicContact CG2-CG2 3.61Å; V537-N540 HydrophobicContact CB-CB 4.13Å; V537-N540 WeakPolarHBondContact O-CB 3.5Å; V537-N540 PolarHBondContact O-N 3.17Å; V537-N540 VanDerWaalsContact O-N 3.08Å
538I89.9Confident88Confident42 Ų4244.2 Ų44.222%0.21526%0.256CS..THydrogen-bonded Turntrans-62.4143.2-179.8-54.1-61000108.9Q183 K536 N540Q183-I538 HydrophobicContact CB-CB 4.38Å; Q183-I538 HydrophobicContact CB-CG2 4.15Å; Q183-I538 HydrophobicContact CG-CG2 4.48Å; K536-I538 PolarHBondContact O-N 3.2Å; I538-N540 PolarHBondContact O-N 3.1Å
539S87.5Confident87.8Confident46 Ų4646.5 Ų46.532%0.32227%0.268SS..THydrogen-bonded Turntrans68.7-3-169.684.60000116.8E181 K258 S541E181-S539 VanDerWaalsContact OE2-CB 3.3Å; E181-S539 WeakPolarHBondContact OE2-CB 3.48Å; E181-S539 PolarHBondContact OE2-OG 2.95Å; K258-S539 PolarHBondContact NZ-OG 3.35Å; S539-S541 PolarHBondContact O-N 3.5Å; S539-S541 PolarHBondContact O-OG 3.06Å
540N89.9Confident87.5Confident15 Ų1547.5 Ų47.58%0.0827%0.273CS..  trans-67.5125.2172.6-169.9-51.7000111.4M454 G455 D490 K536 V537 I538 C542M454-N540 VanDerWaalsContact C-CG 3.47Å; M454-N540 PolarHBondContact O-OD1 2.89Å; G455-N540 WeakPolarHBondContact CA-OD1 3.44Å; G455-N540 PolarHBondContact N-ND2 2.76Å; G455-N540 PolarHBondContact N-OD1 2.89Å; D490-N540 WeakPolarHBondContact CB-ND2 3.48Å; D490-N540 PolarHBondContact OD1-ND2 2.78Å; K536-N540 WeakPolarHBondContact CE-O 3.46Å; K536-N540 HydrophobicContact CG-CB 4.38Å; V537-N540 HydrophobicContact CB-CB 4.13Å; V537-N540 WeakPolarHBondContact O-CB 3.5Å; V537-N540 PolarHBondContact O-N 3.17Å; V537-N540 VanDerWaalsContact O-N 3.08Å; I538-N540 PolarHBondContact O-N 3.1Å; N540-C542 WeakPolarHBondContact OD1-CB 3.33Å; N540-C542 PolarHBondContact OD1-N 3.44Å; N540-C542 PolarHBondContact OD1-SG 2.85Å; N540-C542 VanDerWaalsContact OD1-SG 3.33Å
541S91.5Very high87.1Confident44 Ų4450.6 Ų50.631%0.30830%0.295SS..  trans-104.623-173.9-51.90000114.3M454 S539M454-S541 PolarHBondContact O-N 2.69Å; M454-S541 VanDerWaalsContact O-N 3.11Å; S539-S541 PolarHBondContact O-N 3.5Å; S539-S541 PolarHBondContact O-OG 3.06Å
542C92.4Very high86.8Confident4 Ų450.4 Ų50.43%0.02730%0.295CS..  trans-64.7146175.3690000111C484 C486 K536 N540C484-C542 CarbonylContact O-C 3.54Å; C484-C542 VanDerWaalsContact O-CA 3.3Å; C484-C542 WeakPolarHBondContact O-CA 3.46Å; C486-C542 WeakPolarHBondContact CA-SG 3.48Å; C486-C542 HydrophobicContact CB-CB 3.89Å; C486-C542 WeakPolarHBondContact CB-SG 3.38Å; C486-C542 WeakPolarHBondContact SG-CB 3.43Å; C486-C542 PolarHBondContact SG-O 3.42Å; C486-C542 VanDerWaalsContact SG-O 3.41Å; C486-C542 CovalentContact SG-SG 2.03Å; C486-C542 PolarHBondContact SG-SG 2.89Å; K536-C542 WeakPolarHBondContact CE-SG 3.27Å; K536-C542 PolarHBondContact NZ-O 2.65Å; K536-C542 PolarHBondContact NZ-SG 2.96Å; N540-C542 WeakPolarHBondContact OD1-CB 3.33Å; N540-C542 PolarHBondContact OD1-N 3.44Å; N540-C542 PolarHBondContact OD1-SG 2.85Å; N540-C542 VanDerWaalsContact OD1-SG 3.33Å
543E91.5Very high86.5Confident126 Ų12655.4 Ų55.459%0.58931%0.313SS*.  trans-128.1130.7-177.6-67.8-178.8-178.400110.8P483 C484 Q485P483-E543 HydrophobicContact CB-CG 4.2Å; C484-E543 PolarHBondContact O-N 2.61Å; Q485-E543 WeakPolarHBondContact CA-O 3.29Å; Q485-E543 PolarHBondContact NE2-O 2.84Å; Q485-E543 PolarHBondContact OE1-O 3.41Å
544G87.8Confident86.3Confident54 Ų5461.5 Ų61.556%0.55734%0.342SS*.SBendtrans68.3-164.7-176.400000113Q485 C486Q485-G544 VanDerWaalsContact OE1-C 3.31Å; C486-G544 WeakPolarHBondContact CB-O 3.45Å; C486-G544 PolarHBondContact N-O 2.88Å; C486-G544 PolarHBondContact SG-O 2.93Å; C486-G544 VanDerWaalsContact SG-O 3.33Å
545G88.7Confident86Confident55 Ų5563 Ų6357%0.56735%0.349SS*.BIsolated β-bridgetrans78.9-139179.900000113.5
546L88.3Confident85.8Confident69 Ų6966.5 Ų66.536%0.36138%0.376SS..  trans-77.5127.2-179.4-177.968.2000110.8C486 D488 F491 K548C486-L546 VanDerWaalsContact CB-O 3.26Å; C486-L546 WeakPolarHBondContact CB-O 3.4Å; C486-L546 WeakPolarHBondContact O-CB 3.19Å; C486-L546 PolarHBondContact O-N 2.92Å; D488-L546 WeakPolarHBondContact OD1-CD2 3.17Å; F491-L546 WeakPolarHBondContact CE2-O 3.48Å; F491-L546 WeakPolarHBondContact CZ-O 3.33Å; L546-K548 HydrophobicContact CD2-CD 4.49Å; L546-K548 HydrophobicContact CD2-CG 4.04Å; L546-K548 HydrophobicContact CG-CG 4.16Å
547D85.6Confident85.7Confident75 Ų7564.2 Ų64.240%0.40137%0.367SS..  trans-118.9100.3170.3-176.2-4.2000110Q549 Q550D547-Q549 PolarHBondContact O-N 3.04Å; D547-Q549 WeakPolarHBondContact OD1-CA 3.31Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.47Å; D547-Q549 PolarHBondContact OD1-N 3Å; D547-Q550 HydrophobicContact CB-CB 4.03Å; D547-Q550 PolarHBondContact O-N 3.24Å; D547-Q550 PolarHBondContact OD1-N 2.93Å
548K82.4Confident85.5Confident37 Ų3766.7 Ų66.716%0.16138%0.384CS..THydrogen-bonded Turntrans-73.9-8.5177.3-70.5-167.9175.1179.20113.6D488 F491 T532 Y534 L546D488-K548 WeakPolarHBondContact OD1-CE 3.42Å; D488-K548 IonicContact OD1-NZ 3.16Å; D488-K548 PolarHBondContact OD1-NZ 3.05Å; F491-K548 HydrophobicContact CB-CD 4.29Å; F491-K548 HydrophobicContact CD1-CB 4.04Å; F491-K548 HydrophobicContact CD2-CB 4.45Å; F491-K548 HydrophobicContact CD2-CD 4.31Å; F491-K548 HydrophobicContact CD2-CG 4.25Å; F491-K548 HydrophobicContact CE1-CB 4.18Å; F491-K548 HydrophobicContact CE2-CG 4.48Å; F491-K548 HydrophobicContact CG-CB 4.2Å; F491-K548 HydrophobicContact CG-CD 4.27Å; F491-K548 HydrophobicContact CG-CG 4.37Å; F491-K548 HydrophobicContact CZ-CB 4.46Å; T532-K548 WeakPolarHBondContact CB-O 3.28Å; T532-K548 PolarHBondContact OG1-O 3.11Å; Y534-K548 HydrophobicContact CD1-CD 3.73Å; Y534-K548 HydrophobicContact CD2-CB 4.41Å; Y534-K548 HydrophobicContact CD2-CD 4.2Å; Y534-K548 HydrophobicContact CE1-CD 3.95Å; Y534-K548 HydrophobicContact CE2-CD 4.41Å; Y534-K548 HydrophobicContact CG-CB 4.15Å; Y534-K548 HydrophobicContact CG-CD 3.84Å; L546-K548 HydrophobicContact CD2-CD 4.49Å; L546-K548 HydrophobicContact CD2-CG 4.04Å; L546-K548 HydrophobicContact CG-CG 4.16Å
549Q80.2Confident85.4Confident81 Ų8166.4 Ų66.438%0.37938%0.382SS..THydrogen-bonded Turntrans-95.2-15.9178.1-58.1-175.6-75.800111.8F491 D547 S551 A552F491-Q549 HydrophobicContact CD1-CG 4.46Å; F491-Q549 HydrophobicContact CE1-CG 4.14Å; D547-Q549 PolarHBondContact O-N 3.04Å; D547-Q549 WeakPolarHBondContact OD1-CA 3.31Å; D547-Q549 WeakPolarHBondContact OD1-CB 3.47Å; D547-Q549 PolarHBondContact OD1-N 3Å; Q549-S551 PolarHBondContact O-N 2.85Å; Q549-S551 VanDerWaalsContact O-N 3.11Å; Q549-A552 WeakPolarHBondContact O-CB 3.37Å; Q549-A552 PolarHBondContact O-N 2.81Å
550Q76.3Confident85.4Confident157 Ų15765.1 Ų65.173%0.73437%0.372SS*.THydrogen-bonded Turntrans-60.5-24.9-177.1-161.9173.73100114.2D547 A552D547-Q550 HydrophobicContact CB-CB 4.03Å; D547-Q550 PolarHBondContact O-N 3.24Å; D547-Q550 PolarHBondContact OD1-N 2.93Å; Q550-A552 VanDerWaalsContact C-N 3.27Å; Q550-A552 PolarHBondContact O-N 2.83Å
551S74.6Confident85.4Confident84 Ų8466.3 Ų66.359%0.58738%0.38SS*.THydrogen-bonded Turntrans-843.3176.960.30000114T532 Q549 K553T532-S551 VanDerWaalsContact CG2-OG 3.31Å; T532-S551 WeakPolarHBondContact CG2-OG 3.42Å; Q549-S551 PolarHBondContact O-N 2.85Å; Q549-S551 VanDerWaalsContact O-N 3.11Å; S551-K553 PolarHBondContact O-N 2.88Å
552A79.8Confident85.4Confident29 Ų2964.3 Ų64.324%0.2437%0.366CS..PPolyproline II helixtrans-57.8125.3175.600000110S530 T532 Q549 Q550S530-A552 WeakPolarHBondContact O-CB 3.34Å; T532-A552 HydrophobicContact CG2-CB 3.96Å; T532-A552 VanDerWaalsContact CG2-N 3.3Å; Q549-A552 WeakPolarHBondContact O-CB 3.37Å; Q549-A552 PolarHBondContact O-N 2.81Å; Q550-A552 VanDerWaalsContact C-N 3.27Å; Q550-A552 PolarHBondContact O-N 2.83Å
553K80.3Confident85.2Confident145 Ų14569.7 Ų69.763%0.6339%0.389SS*.PPolyproline II helixtrans-86.8133.5179.1-68.1175.9-175.8170.50108.6Q529 S530 S551 H555Q529-K553 WeakPolarHBondContact CA-O 3.5Å; S530-K553 PolarHBondContact N-O 2.9Å; S530-K553 PolarHBondContact OG-O 2.91Å; S551-K553 PolarHBondContact O-N 2.88Å; K553-H555 WeakPolarHBondContact CB-NE2 3.49Å; K553-H555 PolarHBondContact O-CD2 3.49Å
554Q84.4Confident85Confident127 Ų12764.9 Ų64.959%0.59337%0.373SS*.EExtended strand (participates in β ladder)trans-85.1125.7172-165.717117.600109.2N527 Q529N527-Q554 HydrophobicContact CB-CG 3.94Å; Q529-Q554 HydrophobicContact CG-CG 4.47Å
555H83.8Confident85Confident60 Ų6063 Ų6328%0.27835%0.35SS..EExtended strand (participates in β ladder)trans-115.8142.9178.3-62.2-92000108.8N527 Y528 S530 K553N527-H555 CarbonylContact C-O 3.53Å; N527-H555 WeakPolarHBondContact CA-O 3.4Å; N527-H555 WeakPolarHBondContact CB-O 3.46Å; Y528-H555 HydrophobicContact CD1-CB 3.88Å; Y528-H555 HydrophobicContact CE1-CB 3.39Å; Y528-H555 HydrophobicContact CE2-CB 4.18Å; Y528-H555 HydrophobicContact CG-CB 4.46Å; Y528-H555 PolarHBondContact N-O 3.42Å; Y528-H555 PolarHBondContact O-N 2.85Å; S530-H555 PolarHBondContact OG-CD2 3.21Å; S530-H555 PolarHBondContact OG-NE2 2.93Å; K553-H555 WeakPolarHBondContact CB-NE2 3.49Å; K553-H555 PolarHBondContact O-CD2 3.49Å
556S86.9Confident84.9Confident88 Ų8865.6 Ų65.662%0.61535%0.346SS*.EExtended strand (participates in β ladder)trans-73.2133.8166.653.90000109.1N527 P558N527-S556 WeakPolarHBondContact OD1-CA 3.26Å; S556-P558 VanDerWaalsContact O-CD 3.32Å; S556-P558 WeakPolarHBondContact O-CD 3.41Å; S556-P558 VanDerWaalsContact O-N 3.12Å
557C86.6Confident84.8Confident8 Ų863.5 Ų63.55%0.05434%0.336CS..PPolyproline II helixtrans-56.8118.3174.3-74.40000109.4C522 H523 Q526C522-C557 VanDerWaalsContact CA-SG 3.53Å; C522-C557 HydrophobicContact CB-CB 3.86Å; C522-C557 WeakPolarHBondContact CB-SG 3.37Å; C522-C557 WeakPolarHBondContact SG-CA 3.41Å; C522-C557 WeakPolarHBondContact SG-CB 3.31Å; C522-C557 CovalentContact SG-SG 2.03Å; C522-C557 PolarHBondContact SG-SG 3.34Å; H523-C557 WeakPolarHBondContact O-CB 3.39Å; Q526-C557 VanDerWaalsContact O-CB 3.27Å; Q526-C557 WeakPolarHBondContact O-CB 3.43Å; Q526-C557 PolarHBondContact O-N 3.08Å; Q526-C557 PolarHBondContact O-SG 3.07Å
558P87.8Confident84.6Confident55 Ų5561.2 Ų61.236%0.35733%0.33SS..PPolyproline II helixtrans-69.8160.517231.6-34.1000109.4P518 S556 L560P518-P558 HydrophobicContact CB-CG 3.96Å; P518-P558 HydrophobicContact CG-CG 3.89Å; S556-P558 VanDerWaalsContact O-CD 3.32Å; S556-P558 WeakPolarHBondContact O-CD 3.41Å; S556-P558 VanDerWaalsContact O-N 3.12Å; P558-L560 HydrophobicContact CG-CD2 4.12Å; P558-L560 PolarHBondContact O-N 2.87Å
559L86.9Confident84.5Confident35 Ų3560.5 Ų60.518%0.18333%0.328CS..PPolyproline II helixtrans-63.3120.4166.1-179.970.3000108.7L524 D592 S595 M639 A640L524-L559 HydrophobicContact CD1-CB 4.12Å; L559-D592 HydrophobicContact CD1-CB 3.95Å; L559-S595 VanDerWaalsContact CD1-OG 3.23Å; L559-S595 WeakPolarHBondContact CD1-OG 3.38Å; L559-M639 HydrophobicContact CD2-CB 3.66Å; L559-M639 HydrophobicContact CD2-CE 4.11Å; L559-A640 HydrophobicContact CB-CB 4.24Å; L559-A640 HydrophobicContact CD2-CB 3.9Å; L559-A640 HydrophobicContact CG-CB 3.81Å; L559-A640 WeakPolarHBondContact O-CB 3.4Å
560L88.1Confident84Confident20 Ų2063.9 Ų63.911%0.10534%0.341CS..PPolyproline II helixtrans-90133.9-179.2-63.4-177.4000111P518 C522 P558 D592 N638P518-L560 HydrophobicContact CB-CD2 3.96Å; P518-L560 HydrophobicContact CG-CD2 3.4Å; P518-L560 VanDerWaalsContact CG-CD2 3.4Å; C522-L560 HydrophobicContact CB-CD1 4.07Å; C522-L560 WeakPolarHBondContact O-CD1 3.12Å; P558-L560 HydrophobicContact CG-CD2 4.12Å; P558-L560 PolarHBondContact O-N 2.87Å; L560-D592 PolarHBondContact N-OD2 2.81Å; L560-D592 PolarHBondContact O-N 3.01Å; L560-N638 PolarHBondContact O-ND2 3.14Å
561P90Very high83.4Confident40 Ų4059.6 Ų59.626%0.2634%0.34SS..PPolyproline II helixtrans-67.2145.7175.529.3-34.4000110.5K563 G591 A640P561-K563 PolarHBondContact O-N 2.9Å; P561-G591 WeakPolarHBondContact O-CA 3.49Å; P561-A640 HydrophobicContact CB-CB 4.15Å
562P90.8Very high82.7Confident2 Ų264.1 Ų64.11%0.01335%0.352CS..PPolyproline II helixtrans-60.8137172.528.4-34.9000109.4Q588 Q590 T596 A636 N638 D643P562-Q588 HydrophobicContact CB-CG 4.43Å; P562-Q590 WeakPolarHBondContact CA-O 3.4Å; P562-T596 HydrophobicContact CB-CG2 4.29Å; P562-T596 HydrophobicContact CG-CG2 4.44Å; P562-A636 HydrophobicContact CB-CB 3.82Å; P562-A636 HydrophobicContact CG-CB 4.01Å; P562-A636 WeakPolarHBondContact CG-O 3.41Å; P562-N638 WeakPolarHBondContact CD-OD1 3.36Å; P562-D643 HydrophobicContact CB-CB 4.43Å; P562-D643 HydrophobicContact CG-CB 4.44Å; P562-D643 WeakPolarHBondContact O-CB 3.28Å
563K88.8Confident82Confident116 Ų11667.9 Ų67.950%0.50437%0.366SS..EExtended strand (participates in β ladder)trans-145.5151.9175.5-72-176.2-179.21760111.5P561 E589 Q590 D643P561-K563 PolarHBondContact O-N 2.9Å; K563-E589 PolarHBondContact O-N 3.49Å; K563-Q590 HydrophobicContact CB-CB 4.12Å; K563-Q590 PolarHBondContact N-O 2.97Å; K563-Q590 PolarHBondContact O-N 2.96Å; K563-D643 VanDerWaalsContact C-OD2 3.31Å; K563-D643 WeakPolarHBondContact CA-OD2 3.47Å
564G86.3Confident81.6Confident25 Ų2566 Ų6626%0.25836%0.362SS..EExtended strand (participates in β ladder)trans71.734177.500000112.1K566 E589 D643G564-K566 PolarHBondContact O-N 2.87Å; G564-E589 PolarHBondContact O-N 2.88Å; G564-D643 PolarHBondContact N-OD2 3.37Å
565L89.3Confident81.4Confident14 Ų1460.5 Ų60.57%0.07334%0.338CS..EExtended strand (participates in β ladder)trans-64.9132.1178.2-168.268.8000110.5V586 H587 Q588 Y598 V634 A636 D643 A645L565-V586 HydrophobicContact CD1-CG1 3.73Å; L565-H587 CarbonylContact C-O 3.47Å; L565-H587 WeakPolarHBondContact CA-O 3.28Å; L565-Q588 HydrophobicContact CD1-CB 4.24Å; L565-Y598 HydrophobicContact CD1-CD1 4.34Å; L565-Y598 HydrophobicContact CD1-CE1 3.94Å; L565-V634 HydrophobicContact CD2-CB 4.39Å; L565-V634 HydrophobicContact CD2-CG1 4.15Å; L565-V634 VanDerWaalsContact CD2-O 3.23Å; L565-V634 WeakPolarHBondContact CD2-O 3.33Å; L565-A636 HydrophobicContact CD1-CB 3.92Å; L565-A636 HydrophobicContact CD2-CB 3.67Å; L565-A636 HydrophobicContact CG-CB 4.38Å; L565-D643 HydrophobicContact CB-CB 4.08Å; L565-D643 WeakPolarHBondContact CB-OD2 3.49Å; L565-D643 PolarHBondContact N-OD2 2.62Å; L565-A645 HydrophobicContact CB-CB 4.19Å; L565-A645 HydrophobicContact CD2-CB 4.02Å; L565-A645 HydrophobicContact CG-CB 3.86Å; L565-A645 WeakPolarHBondContact O-CB 3.26Å
566K86.4Confident81.5Confident110 Ų11058.2 Ų58.248%0.47833%0.328SS..EExtended strand (participates in β ladder)trans-133.5146.2176.8-63.6179.1-168.7167.70109.8G564 V586 H587 E589G564-K566 PolarHBondContact O-N 2.87Å; K566-V586 CarbonylContact O-C 3.56Å; K566-V586 WeakPolarHBondContact O-CA 3.24Å; K566-H587 PolarHBondContact N-O 2.79Å; K566-H587 PolarHBondContact O-N 2.84Å; K566-E589 VanDerWaalsContact CE-OE1 3.3Å; K566-E589 WeakPolarHBondContact CE-OE1 3.27Å; K566-E589 IonicContact NZ-OE1 2.71Å; K566-E589 PolarHBondContact NZ-OE1 2.91Å
567V86.7Confident81.3Confident25 Ų2554.6 Ų54.615%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-127.8137.617360.70000108.8F584 I585 V586 V632 V634 A645 M647V567-F584 HydrophobicContact CG2-CD1 4.42Å; V567-I585 WeakPolarHBondContact CA-O 3.35Å; V567-V586 HydrophobicContact CG2-CG2 4.28Å; V567-V632 HydrophobicContact CG2-CG1 4.43Å; V567-V634 HydrophobicContact CB-CG2 3.96Å; V567-V634 HydrophobicContact CG1-CG2 4.45Å; V567-V634 HydrophobicContact CG2-CG2 3.8Å; V567-A645 HydrophobicContact CG1-CB 4.08Å; V567-M647 HydrophobicContact CB-SD 4.47Å; V567-M647 HydrophobicContact CG1-CB 3.96Å; V567-M647 HydrophobicContact CG1-CG 3.76Å; V567-M647 HydrophobicContact CG1-SD 4.08Å; V567-M647 HydrophobicContact CG2-CG 4.39Å; V567-M647 HydrophobicContact CG2-SD 3.87Å
568G81.7Confident81.4Confident27 Ų2756 Ų5628%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-151.8176.4178.900000112.5F584 I585G568-F584 WeakPolarHBondContact O-CA 3.48Å; G568-I585 PolarHBondContact N-O 2.86Å; G568-I585 PolarHBondContact O-N 2.94Å
569I79.7Confident81.3Confident23 Ų2354.7 Ų54.712%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-112.3136177.7-59.3160.5000109.1G571 Q572 M573 L574 I582 T583 F584 M647 I649I569-G571 PolarHBondContact O-N 2.77Å; I569-G571 VanDerWaalsContact O-N 3.16Å; I569-Q572 PolarHBondContact O-N 2.79Å; I569-Q572 VanDerWaalsContact O-N 3.14Å; I569-M573 WeakPolarHBondContact CD1-O 3.42Å; I569-L574 HydrophobicContact CD1-CD2 4.4Å; I569-I582 HydrophobicContact CD1-CG2 4.35Å; I569-I582 HydrophobicContact CG1-CG2 4.14Å; I569-I582 HydrophobicContact CG2-CG2 3.9Å; I569-T583 WeakPolarHBondContact CA-O 3.49Å; I569-F584 HydrophobicContact CG1-CD1 4.29Å; I569-F584 HydrophobicContact CG1-CE1 4.34Å; I569-M647 HydrophobicContact CD1-CE 3.66Å; I569-M647 HydrophobicContact CG1-CE 3.79Å; I569-M647 HydrophobicContact CG1-SD 4.38Å; I569-I649 HydrophobicContact CD1-CD1 3.61Å; I569-I649 HydrophobicContact CD1-CG1 3.92Å; I569-I649 HydrophobicContact CG1-CD1 4.23Å
570K69.3Low81.1Confident151 Ų15155.8 Ų55.866%0.65732%0.315SS*.THydrogen-bonded Turntrans-60.2116172.8-166.6173.6-178.2173.30109.9T583 I585K570-T583 HydrophobicContact CB-CG2 4.05Å; K570-T583 HydrophobicContact CD-CG2 4.2Å; K570-T583 PolarHBondContact N-O 2.88Å; K570-I585 HydrophobicContact CB-CD1 3.89Å; K570-I585 HydrophobicContact CG-CD1 4.2Å
571G63.4Low81Confident68 Ų6859.7 Ų59.770%0.70134%0.336SS*.THydrogen-bonded Turntrans97.14.1-178.100000116.2I569 M573I569-G571 PolarHBondContact O-N 2.77Å; I569-G571 VanDerWaalsContact O-N 3.16Å; G571-M573 VanDerWaalsContact C-N 3.28Å; G571-M573 PolarHBondContact O-N 3.31Å; G571-M573 VanDerWaalsContact O-N 3.08Å
572Q60.3Low80.8Confident179 Ų17958.1 Ų58.184%0.83633%0.325SS*.  trans60.411.4167.4-61.4-173.3-9.200118.4I569I569-Q572 PolarHBondContact O-N 2.79Å; I569-Q572 VanDerWaalsContact O-N 3.14Å
573M64.2Low80.4Confident108 Ų10859.1 Ų59.153%0.53233%0.331SS..  trans-86116.6172.3-65-173.990.200111.2I569 G571I569-M573 WeakPolarHBondContact CD1-O 3.42Å; G571-M573 VanDerWaalsContact C-N 3.28Å; G571-M573 PolarHBondContact O-N 3.31Å; G571-M573 VanDerWaalsContact O-N 3.08Å
574L72.6Confident80.2Confident105 Ų10553.7 Ų53.755%0.5531%0.308SS..  trans-86.1-10.4178-65.7172.1000113.7I569 M647 Q650I569-L574 HydrophobicContact CD1-CD2 4.4Å; L574-M647 HydrophobicContact CD2-CE 3.51Å; L574-Q650 PolarHBondContact O-N 2.83Å
575A80.8Confident80.1Confident11 Ų1156 Ų569%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-113.6122.7176.100000110.3Q650 R726A575-Q650 CarbonylContact C-O 3.59Å; A575-Q650 VanDerWaalsContact CA-O 3.29Å; A575-Q650 WeakPolarHBondContact CA-O 3.46Å; A575-R726 HydrophobicContact CB-CB 4.28Å; A575-R726 WeakPolarHBondContact O-CD 3.45Å
576V84.4Confident79.9Confident12 Ų1255.7 Ų55.77%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-132.6153.7-170.9-62.90000110.4I582 I649 Q650 V651 T652V576-I582 HydrophobicContact CB-CD1 4.15Å; V576-I582 HydrophobicContact CB-CG1 4.47Å; V576-I582 HydrophobicContact CG1-CD1 4.15Å; V576-I582 HydrophobicContact CG1-CG1 4.19Å; V576-I582 HydrophobicContact CG2-CD1 3.63Å; V576-I582 HydrophobicContact CG2-CG1 4.46Å; V576-I649 HydrophobicContact CG2-CG2 3.73Å; V576-Q650 PolarHBondContact N-O 2.9Å; V576-V651 HydrophobicContact CG2-CB 4.35Å; V576-V651 HydrophobicContact CG2-CG2 3.77Å; V576-V651 CarbonylContact O-C 3.47Å; V576-V651 VanDerWaalsContact O-CA 3.29Å; V576-V651 WeakPolarHBondContact O-CA 3.38Å; V576-T652 PolarHBondContact O-N 2.86Å
577A84.1Confident79.7Confident13 Ų1355.5 Ų55.511%0.10731%0.313CS..  trans-85.9153.3175.300000111.1G579 D580A577-G579 PolarHBondContact O-N 3.4Å; A577-D580 WeakPolarHBondContact CB-OD2 3.43Å; A577-D580 PolarHBondContact N-OD2 2.82Å; A577-D580 WeakPolarHBondContact O-CB 3.34Å; A577-D580 PolarHBondContact O-N 2.84Å
578P87.6Confident79.6Confident38 Ų3855 Ų5525%0.24731%0.309CS..THydrogen-bonded Turntrans-54.7131.4169.3-22.431.6000111.3Y624 P627 V651 E653P578-Y624 CarbonylContact C-O 3.6Å; P578-Y624 VanDerWaalsContact CA-O 3.26Å; P578-Y624 WeakPolarHBondContact CA-O 3.3Å; P578-P627 HydrophobicContact CG-CG 3.96Å; P578-V651 HydrophobicContact CB-CG1 4.35Å; P578-V651 HydrophobicContact CG-CG1 3.95Å; P578-E653 HydrophobicContact CG-CG 3.91Å
579G85.4Confident79.4Confident26 Ų2657.8 Ų57.827%0.26832%0.315SS..THydrogen-bonded Turntrans85.4-4-178.900000116.1A577 Y624A577-G579 PolarHBondContact O-N 3.4Å; G579-Y624 PolarHBondContact N-O 3.28Å
580D84.4Confident79.4Confident58 Ų5859.7 Ų59.731%0.3132%0.323SS..  trans-64.3143.4174.2-78.7-13.2000111.4A577 I582A577-D580 WeakPolarHBondContact CB-OD2 3.43Å; A577-D580 PolarHBondContact N-OD2 2.82Å; A577-D580 WeakPolarHBondContact O-CB 3.34Å; A577-D580 PolarHBondContact O-N 2.84Å; D580-I582 PolarHBondContact O-N 3.21Å
581D84.6Confident80Confident103 Ų10353.1 Ų53.155%0.55130%0.298SS*.  trans-76.8107.8172.2-78.5-48.7000110.7R623D581-R623 IonicContact OD1-CZ 3.74Å; D581-R623 IonicContact OD1-NE 2.63Å; D581-R623 PolarHBondContact OD1-NE 3.38Å; D581-R623 IonicContact OD1-NH2 3.57Å; D581-R623 PolarHBondContact OD1-NH2 3.41Å; D581-R623 IonicContact OD2-CZ 3.23Å; D581-R623 IonicContact OD2-NE 3.94Å; D581-R623 IonicContact OD2-NH2 3.89Å; D581-R623 PolarHBondContact OD2-NH2 3Å
582I85.1Confident80.9Confident7 Ų749.9 Ų49.94%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-103132.6179.7-54.3168.7000108.9I569 V576 D580 F584 Q621 H622 Y624I569-I582 HydrophobicContact CD1-CG2 4.35Å; I569-I582 HydrophobicContact CG1-CG2 4.14Å; I569-I582 HydrophobicContact CG2-CG2 3.9Å; V576-I582 HydrophobicContact CB-CD1 4.15Å; V576-I582 HydrophobicContact CB-CG1 4.47Å; V576-I582 HydrophobicContact CG1-CD1 4.15Å; V576-I582 HydrophobicContact CG1-CG1 4.19Å; V576-I582 HydrophobicContact CG2-CD1 3.63Å; V576-I582 HydrophobicContact CG2-CG1 4.46Å; D580-I582 PolarHBondContact O-N 3.21Å; I582-F584 HydrophobicContact CB-CE2 4.38Å; I582-F584 HydrophobicContact CG2-CD2 4.2Å; I582-F584 HydrophobicContact CG2-CE2 3.81Å; I582-F584 HydrophobicContact CG2-CZ 4Å; I582-Q621 CarbonylContact O-C 3.56Å; I582-Q621 VanDerWaalsContact O-CA 3.28Å; I582-Q621 WeakPolarHBondContact O-CA 3.26Å; I582-H622 PolarHBondContact N-O 3.08Å; I582-H622 PolarHBondContact O-N 3.43Å; I582-Y624 HydrophobicContact CD1-CD2 3.43Å; I582-Y624 VanDerWaalsContact CD1-CD2 3.43Å; I582-Y624 HydrophobicContact CD1-CE2 3.72Å
583T83.7Confident81.9Confident23 Ų2343.1 Ų43.114%0.14124%0.236CC..EExtended strand (participates in β ladder)trans-113.7112.4174.5-64.80000110.3I569 K570 P619 I620I569-T583 WeakPolarHBondContact CA-O 3.49Å; K570-T583 HydrophobicContact CB-CG2 4.05Å; K570-T583 HydrophobicContact CD-CG2 4.2Å; K570-T583 PolarHBondContact N-O 2.88Å; T583-P619 HydrophobicContact CG2-CB 3.23Å; T583-P619 HydrophobicContact CG2-CG 4.48Å; T583-I620 CarbonylContact C-O 3.41Å; T583-I620 WeakPolarHBondContact CA-O 3.25Å
584F84.9Confident82.6Confident2 Ų242 Ų421%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-86.7141173.6-61.6-91.7000111.4V567 G568 I569 I582 L602 I620 H622 Y624 V632 M647 I649V567-F584 HydrophobicContact CG2-CD1 4.42Å; G568-F584 WeakPolarHBondContact O-CA 3.48Å; I569-F584 HydrophobicContact CG1-CD1 4.29Å; I569-F584 HydrophobicContact CG1-CE1 4.34Å; I582-F584 HydrophobicContact CB-CE2 4.38Å; I582-F584 HydrophobicContact CG2-CD2 4.2Å; I582-F584 HydrophobicContact CG2-CE2 3.81Å; I582-F584 HydrophobicContact CG2-CZ 4Å; F584-L602 HydrophobicContact CD2-CD2 4.12Å; F584-L602 HydrophobicContact CE1-CD2 4.46Å; F584-L602 HydrophobicContact CE2-CD2 3.8Å; F584-L602 HydrophobicContact CZ-CD2 3.98Å; F584-I620 HydrophobicContact CB-CB 4.17Å; F584-I620 PolarHBondContact N-O 2.83Å; F584-I620 PolarHBondContact O-N 2.63Å; F584-I620 VanDerWaalsContact O-N 3.14Å; F584-H622 HydrophobicContact CD2-CB 4.46Å; F584-H622 HydrophobicContact CE2-CB 3.95Å; F584-Y624 HydrophobicContact CZ-CE2 4.23Å; F584-V632 HydrophobicContact CD1-CG1 4.32Å; F584-V632 HydrophobicContact CE1-CB 4.28Å; F584-V632 HydrophobicContact CE1-CG1 3.97Å; F584-V632 HydrophobicContact CE1-CG2 3.75Å; F584-V632 HydrophobicContact CZ-CG2 3.94Å; F584-M647 HydrophobicContact CD1-SD 4.2Å; F584-M647 HydrophobicContact CE1-SD 4.17Å; F584-I649 HydrophobicContact CD1-CD1 4.44Å; F584-I649 HydrophobicContact CE1-CD1 3.23Å; F584-I649 HydrophobicContact CE1-CG1 4.5Å; F584-I649 HydrophobicContact CZ-CD1 3.32Å
585I82.5Confident83.1Confident72 Ų7239.6 Ų39.637%0.36923%0.23SC..EExtended strand (participates in β ladder)trans-123.1132.6175.3-56.8171.8000107.3V567 G568 K570V567-I585 WeakPolarHBondContact CA-O 3.35Å; G568-I585 PolarHBondContact N-O 2.86Å; G568-I585 PolarHBondContact O-N 2.94Å; K570-I585 HydrophobicContact CB-CD1 3.89Å; K570-I585 HydrophobicContact CG-CD1 4.2Å
586V85.9Confident83.5Confident8 Ų839.2 Ų39.25%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-117134.4176.6178.20000107.9L565 K566 V567 Y598 L613 V634L565-V586 HydrophobicContact CD1-CG1 3.73Å; K566-V586 CarbonylContact O-C 3.56Å; K566-V586 WeakPolarHBondContact O-CA 3.24Å; V567-V586 HydrophobicContact CG2-CG2 4.28Å; V586-Y598 HydrophobicContact CG1-CD1 4.42Å; V586-L613 HydrophobicContact CB-CD2 3.47Å; V586-L613 VanDerWaalsContact CB-CD2 3.47Å; V586-L613 HydrophobicContact CG1-CD2 4.07Å; V586-L613 HydrophobicContact CG2-CD2 3.55Å; V586-V634 HydrophobicContact CG1-CG1 3.9Å; V586-V634 HydrophobicContact CG2-CG1 4.14Å; V586-V634 HydrophobicContact CG2-CG2 4Å
587H82.4Confident83.8Confident107 Ų10744.2 Ų44.250%0.49525%0.245SC..EExtended strand (participates in β ladder)trans-128.2138.5179.2-171.371.1000109.9L565 K566L565-H587 CarbonylContact C-O 3.47Å; L565-H587 WeakPolarHBondContact CA-O 3.28Å; K566-H587 PolarHBondContact N-O 2.79Å; K566-H587 PolarHBondContact O-N 2.84Å
588Q84.5Confident84.2Confident14 Ų1443.6 Ų43.67%0.06524%0.24CC..EExtended strand (participates in β ladder)trans-120.4121.8173.9176.5178-50.400107.5P562 L565 Q590 G591 Y598 T614P562-Q588 HydrophobicContact CB-CG 4.43Å; L565-Q588 HydrophobicContact CD1-CB 4.24Å; Q588-Q590 WeakPolarHBondContact CG-O 3.46Å; Q588-Q590 PolarHBondContact NE2-O 2.96Å; Q588-G591 PolarHBondContact NE2-O 3.03Å; Q588-G591 VanDerWaalsContact NE2-O 3.12Å; Q588-Y598 PolarHBondContact OE1-OH 3.36Å; Q588-T614 HydrophobicContact CB-CG2 4.08Å
589E76.8Confident84.5Confident86 Ų8644.8 Ų44.840%0.40224%0.242SC..EExtended strand (participates in β ladder)trans-75.8-37.5-177.7-69.4-175.7162.500112.5K563 G564 K566K563-E589 PolarHBondContact O-N 3.49Å; G564-E589 PolarHBondContact O-N 2.88Å; K566-E589 VanDerWaalsContact CE-OE1 3.3Å; K566-E589 WeakPolarHBondContact CE-OE1 3.27Å; K566-E589 IonicContact NZ-OE1 2.71Å; K566-E589 PolarHBondContact NZ-OE1 2.91Å
590Q79.9Confident84.9Confident62 Ų6243.8 Ų43.829%0.2923%0.23SC..EExtended strand (participates in β ladder)trans-140.7155.8-174.9-64177.55.500112.4E520 P562 K563 Q588E520-Q590 HydrophobicContact CG-CG 4.36Å; E520-Q590 PolarHBondContact OE1-NE2 2.81Å; E520-Q590 PolarHBondContact OE2-NE2 2.99Å; P562-Q590 WeakPolarHBondContact CA-O 3.4Å; K563-Q590 HydrophobicContact CB-CB 4.12Å; K563-Q590 PolarHBondContact N-O 2.97Å; K563-Q590 PolarHBondContact O-N 2.96Å; Q588-Q590 WeakPolarHBondContact CG-O 3.46Å; Q588-Q590 PolarHBondContact NE2-O 2.96Å
591G82.4Confident85.5Confident14 Ų1442.7 Ų42.714%0.14422%0.224CC..SBendtrans101165.1176.200000114.2P561 Q588 T593P561-G591 WeakPolarHBondContact O-CA 3.49Å; Q588-G591 PolarHBondContact NE2-O 3.03Å; Q588-G591 VanDerWaalsContact NE2-O 3.12Å; G591-T593 PolarHBondContact O-N 2.88Å
592D81.9Confident85.9Confident0 Ų037.9 Ų37.90%020%0.199CC..  trans-73107.1-175.1-73.2-71.9000112.4H523 L524 L559 L560 T596H523-D592 WeakPolarHBondContact CA-OD1 3.23Å; H523-D592 IonicContact ND1-OD1 3.34Å; L524-D592 PolarHBondContact N-OD1 2.85Å; L524-D592 VanDerWaalsContact N-OD1 3.15Å; L559-D592 HydrophobicContact CD1-CB 3.95Å; L560-D592 PolarHBondContact N-OD2 2.81Å; L560-D592 PolarHBondContact O-N 3.01Å; D592-T596 WeakPolarHBondContact O-CB 3.37Å; D592-T596 PolarHBondContact O-OG1 2.88Å
593T80.6Confident86.2Confident37 Ų3739.3 Ų39.323%0.22722%0.215CC..G310 helixtrans-73-32.5-177.953.30000113.6G591 S595 T596 T614 V615G591-T593 PolarHBondContact O-N 2.88Å; T593-S595 VanDerWaalsContact C-N 3.29Å; T593-S595 PolarHBondContact O-N 2.85Å; T593-T596 PolarHBondContact O-N 3.33Å; T593-T614 WeakPolarHBondContact CB-OG1 3.41Å; T593-T614 VanDerWaalsContact CG2-OG1 3.26Å; T593-T614 WeakPolarHBondContact CG2-OG1 3.43Å; T593-V615 VanDerWaalsContact OG1-CG2 3.24Å; T593-V615 WeakPolarHBondContact OG1-CG2 3.42Å
594S80.1Confident86.5Confident85 Ų8541.1 Ų41.159%0.59422%0.224SC*.G310 helixtrans-67-25.2-176.560.70000114.7N612S594-N612 WeakPolarHBondContact CA-OD1 3.33Å; S594-N612 PolarHBondContact O-OD1 3.23Å
595S82.9Confident86.6Confident53 Ų5344 Ų4437%0.37125%0.254SS..G310 helixtrans-107.53.917964.20000112.7L559 T593L559-S595 VanDerWaalsContact CD1-OG 3.23Å; L559-S595 WeakPolarHBondContact CD1-OG 3.38Å; T593-S595 VanDerWaalsContact C-N 3.29Å; T593-S595 PolarHBondContact O-N 2.85Å
596T88.9Confident87Confident3 Ų343.3 Ų43.32%0.01825%0.254CS..  trans-93.4129.1-176.7-67.40000111P562 D592 T593 Y598 A636P562-T596 HydrophobicContact CB-CG2 4.29Å; P562-T596 HydrophobicContact CG-CG2 4.44Å; D592-T596 WeakPolarHBondContact O-CB 3.37Å; D592-T596 PolarHBondContact O-OG1 2.88Å; T593-T596 PolarHBondContact O-N 3.33Å; T596-Y598 HydrophobicContact CG2-CD1 4.42Å; T596-Y598 HydrophobicContact CG2-CD2 4.43Å; T596-Y598 HydrophobicContact CG2-CE1 3.89Å; T596-Y598 HydrophobicContact CG2-CE2 3.93Å; T596-A636 HydrophobicContact CG2-CB 3.75Å
597R91.6Very high87.3Confident118 Ų11852 Ų5245%0.44529%0.285SS..EExtended strand (participates in β ladder)trans-94126.1174.3-177.8-173.7-174.4-179.19.4109I609 A636 E637R597-I609 HydrophobicContact CG-CG2 3.6Å; R597-A636 WeakPolarHBondContact O-CA 3.37Å; R597-E637 PolarHBondContact N-O 2.81Å; R597-E637 PolarHBondContact O-N 2.84Å
598Y92.8Very high87.7Confident0 Ų049.2 Ų49.20%028%0.276CS..EExtended strand (participates in β ladder)trans-103.1114.3176.6-60.7-85.2000109.7L565 V586 Q588 T596 I609 Y610 L613 T614 V634 K635 A636L565-Y598 HydrophobicContact CD1-CD1 4.34Å; L565-Y598 HydrophobicContact CD1-CE1 3.94Å; V586-Y598 HydrophobicContact CG1-CD1 4.42Å; Q588-Y598 PolarHBondContact OE1-OH 3.36Å; T596-Y598 HydrophobicContact CG2-CD1 4.42Å; T596-Y598 HydrophobicContact CG2-CD2 4.43Å; T596-Y598 HydrophobicContact CG2-CE1 3.89Å; T596-Y598 HydrophobicContact CG2-CE2 3.93Å; Y598-I609 CarbonylContact O-C 3.6Å; Y598-I609 WeakPolarHBondContact O-CA 3.12Å; Y598-Y610 PolarHBondContact N-O 2.83Å; Y598-Y610 PolarHBondContact O-N 3.37Å; Y598-L613 HydrophobicContact CD2-CB 3.77Å; Y598-L613 HydrophobicContact CE2-CB 4.22Å; Y598-L613 HydrophobicContact CG-CB 4.21Å; Y598-T614 HydrophobicContact CE1-CG2 4.2Å; Y598-T614 HydrophobicContact CE2-CG2 4.47Å; Y598-T614 PolarHBondContact OH-OG1 3.32Å; Y598-V634 HydrophobicContact CD1-CG1 4.45Å; Y598-K635 CarbonylContact C-O 3.57Å; Y598-K635 WeakPolarHBondContact CA-O 3.49Å; Y598-A636 HydrophobicContact CD1-CB 3.73Å; Y598-A636 HydrophobicContact CE1-CB 3.58Å
599Q93.9Very high87.9Confident63 Ų6352.7 Ų52.729%0.29429%0.294SS..EExtended strand (participates in β ladder)trans-95.8115.7171.6-57.3179.130.800108.1I609 V634 K635 E637Q599-I609 HydrophobicContact CG-CD1 4.32Å; Q599-I609 HydrophobicContact CG-CG1 4.28Å; Q599-V634 CarbonylContact O-C 3.56Å; Q599-V634 WeakPolarHBondContact O-CA 3.47Å; Q599-K635 HydrophobicContact CB-CB 4.35Å; Q599-K635 PolarHBondContact N-O 2.83Å; Q599-K635 PolarHBondContact O-N 2.68Å; Q599-E637 PolarHBondContact NE2-OE2 2.94Å
600V94Very high88.4Confident4 Ų451.7 Ų51.72%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-110.7118.1-179.1-178.70000108.3L602 R607 T608 Y610 I620 T633 V634V600-L602 HydrophobicContact CG1-CD2 3.71Å; V600-L602 HydrophobicContact CG1-CG 4.25Å; V600-R607 WeakPolarHBondContact O-CA 3.43Å; V600-T608 PolarHBondContact N-O 3.16Å; V600-T608 PolarHBondContact O-N 3.14Å; V600-Y610 HydrophobicContact CB-CD2 4.35Å; V600-Y610 HydrophobicContact CB-CE2 4.1Å; V600-Y610 HydrophobicContact CG2-CD2 3.8Å; V600-Y610 HydrophobicContact CG2-CE2 3.95Å; V600-I620 HydrophobicContact CG1-CD1 4.25Å; V600-I620 HydrophobicContact CG2-CD1 3.91Å; V600-T633 WeakPolarHBondContact CA-O 3.5Å; V600-V634 HydrophobicContact CG1-CG2 4.33Å; V600-V634 HydrophobicContact CG2-CG1 4.1Å; V600-V634 HydrophobicContact CG2-CG2 4.21Å
601D95.3Very high88.5Confident35 Ų3556.3 Ų56.319%0.18731%0.309CS..EExtended strand (participates in β ladder)trans-109.8115.1170.7-171.5-18.7000108.1G603 R607 V632 T633D601-G603 VanDerWaalsContact C-N 3.27Å; D601-G603 PolarHBondContact O-N 3.25Å; D601-G603 PolarHBondContact OD1-N 3.19Å; D601-R607 HydrophobicContact CB-CG 4.14Å; D601-R607 IonicContact OD1-NE 3.76Å; D601-R607 IonicContact OD2-CZ 3.85Å; D601-R607 IonicContact OD2-NE 3.8Å; D601-R607 PolarHBondContact OD2-NE 2.9Å; D601-R607 IonicContact OD2-NH2 3.03Å; D601-R607 PolarHBondContact OD2-NH2 3.34Å; D601-V632 CarbonylContact O-C 3.58Å; D601-V632 VanDerWaalsContact O-CA 3.32Å; D601-V632 WeakPolarHBondContact O-CA 3.43Å; D601-T633 PolarHBondContact N-O 3.34Å; D601-T633 PolarHBondContact O-N 2.65Å
602L93.1Very high88.3Confident3 Ų358.5 Ų58.52%0.01632%0.317CS..  trans-84.60.2-178.4-61.5-179.6000113F584 V600 D604 V606 H622 Y624 V632F584-L602 HydrophobicContact CD2-CD2 4.12Å; F584-L602 HydrophobicContact CE1-CD2 4.46Å; F584-L602 HydrophobicContact CE2-CD2 3.8Å; F584-L602 HydrophobicContact CZ-CD2 3.98Å; V600-L602 HydrophobicContact CG1-CD2 3.71Å; V600-L602 HydrophobicContact CG1-CG 4.25Å; L602-D604 VanDerWaalsContact C-N 3.28Å; L602-D604 PolarHBondContact O-N 3.09Å; L602-V606 HydrophobicContact CB-CB 4.45Å; L602-V606 HydrophobicContact CD1-CB 4.34Å; L602-V606 HydrophobicContact CD1-CG1 4.14Å; L602-V606 PolarHBondContact N-O 3.08Å; L602-V606 VanDerWaalsContact N-O 3.07Å; L602-H622 HydrophobicContact CD1-CB 3.83Å; L602-H622 VanDerWaalsContact CD1-CG 3.43Å; L602-Y624 PolarHBondContact O-OH 2.85Å; L602-V632 HydrophobicContact CD2-CG1 3.93Å; L602-V632 HydrophobicContact CD2-CG2 4.45Å
603G91.4Very high88.1Confident37 Ų3759 Ų5938%0.38132%0.32SS..SBendtrans82.8-5.2173.300000115.3D601 K631D601-G603 VanDerWaalsContact C-N 3.27Å; D601-G603 PolarHBondContact O-N 3.25Å; D601-G603 PolarHBondContact OD1-N 3.19Å; G603-K631 WeakPolarHBondContact CA-O 3.4Å
604D90.8Very high87.8Confident60 Ų6058.7 Ų58.732%0.32132%0.318SS..SBendtrans-105.510.2176.965-11000113.1L602 V606 H622 Y624 Y630L602-D604 VanDerWaalsContact C-N 3.28Å; L602-D604 PolarHBondContact O-N 3.09Å; D604-V606 WeakPolarHBondContact OD1-CB 3.48Å; D604-V606 WeakPolarHBondContact OD1-CG2 3.35Å; D604-V606 PolarHBondContact OD1-N 3.48Å; D604-H622 IonicContact OD2-CD2 3.57Å; D604-H622 IonicContact OD2-CE1 3.56Å; D604-H622 PolarHBondContact OD2-CE1 3.05Å; D604-H622 VanDerWaalsContact OD2-CE1 3.23Å; D604-H622 IonicContact OD2-NE2 3.48Å; D604-H622 PolarHBondContact OD2-NE2 3Å; D604-Y624 HydrophobicContact CB-CD1 4.14Å; D604-Y624 HydrophobicContact CB-CE1 3.99Å; D604-Y630 HydrophobicContact CB-CD1 3.86Å; D604-Y630 HydrophobicContact CB-CE1 3.63Å
605G87.8Confident87.3Confident63 Ų6358.9 Ų58.965%0.64932%0.315SS*.SBendtrans96.7-9.1-17600000113.9R607G605-R607 PolarHBondContact O-N 3.3Å
606V90.1Very high86.3Confident58 Ų5859.7 Ų59.735%0.35232%0.318SS..  trans-75.6114.9171.3-179.50000109.6L602 D604L602-V606 HydrophobicContact CB-CB 4.45Å; L602-V606 HydrophobicContact CD1-CB 4.34Å; L602-V606 HydrophobicContact CD1-CG1 4.14Å; L602-V606 PolarHBondContact N-O 3.08Å; L602-V606 VanDerWaalsContact N-O 3.07Å; D604-V606 WeakPolarHBondContact OD1-CB 3.48Å; D604-V606 WeakPolarHBondContact OD1-CG2 3.35Å; D604-V606 PolarHBondContact OD1-N 3.48Å
607R91.6Very high85.1Confident189 Ų18965.3 Ų65.371%0.71335%0.348SS*.EExtended strand (participates in β ladder)trans-124.2117.6175.5-69179.5174.7177.8-3.6109.3V600 D601 G605V600-R607 WeakPolarHBondContact O-CA 3.43Å; D601-R607 HydrophobicContact CB-CG 4.14Å; D601-R607 IonicContact OD1-NE 3.76Å; D601-R607 IonicContact OD2-CZ 3.85Å; D601-R607 IonicContact OD2-NE 3.8Å; D601-R607 PolarHBondContact OD2-NE 2.9Å; D601-R607 IonicContact OD2-NH2 3.03Å; D601-R607 PolarHBondContact OD2-NH2 3.34Å; G605-R607 PolarHBondContact O-N 3.3Å
608T90.8Very high84Confident50 Ų5065.7 Ų65.731%0.30736%0.355SS..EExtended strand (participates in β ladder)trans-128.5149.1-17823.30000110.3V600 Y610V600-T608 PolarHBondContact N-O 3.16Å; V600-T608 PolarHBondContact O-N 3.14Å; T608-Y610 WeakPolarHBondContact OG1-CE2 3.35Å; T608-Y610 PolarHBondContact OG1-OH 2.91Å
609I90.1Very high83.1Confident86 Ų8669.1 Ų69.144%0.44138%0.377SS..EExtended strand (participates in β ladder)trans-122.8119.9-176.1-60.1-173.5000106.8R597 Y598 Q599R597-I609 HydrophobicContact CG-CG2 3.6Å; Y598-I609 CarbonylContact O-C 3.6Å; Y598-I609 WeakPolarHBondContact O-CA 3.12Å; Q599-I609 HydrophobicContact CG-CD1 4.32Å; Q599-I609 HydrophobicContact CG-CG1 4.28Å
610Y86.9Confident82.7Confident66 Ų6666.6 Ų66.626%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-110.6152.1-179.4-58.6-91.5000110Y598 V600 T608 L613 I620Y598-Y610 PolarHBondContact N-O 2.83Å; Y598-Y610 PolarHBondContact O-N 3.37Å; V600-Y610 HydrophobicContact CB-CD2 4.35Å; V600-Y610 HydrophobicContact CB-CE2 4.1Å; V600-Y610 HydrophobicContact CG2-CD2 3.8Å; V600-Y610 HydrophobicContact CG2-CE2 3.95Å; T608-Y610 WeakPolarHBondContact OG1-CE2 3.35Å; T608-Y610 PolarHBondContact OG1-OH 2.91Å; Y610-L613 HydrophobicContact CD1-CD1 3.61Å; Y610-L613 HydrophobicContact CD2-CD1 3.85Å; Y610-L613 HydrophobicContact CE1-CD1 4.26Å; Y610-L613 HydrophobicContact CE2-CD1 4.46Å; Y610-L613 HydrophobicContact CG-CD1 3.37Å; Y610-I620 HydrophobicContact CD2-CD1 4.27Å; Y610-I620 HydrophobicContact CE2-CD1 3.82Å; Y610-I620 HydrophobicContact CE2-CG1 4.28Å
611Q81.7Confident82.4Confident159 Ų15973 Ų7374%0.74340%0.396SS*.EExtended strand (participates in β ladder)trans-118140.8167.8-68.4-178-16.500107.2L613Q611-L613 PolarHBondContact O-N 2.91Å
612N77.7Confident82.2Confident60 Ų6072.9 Ų72.932%0.32139%0.394SS..SBendtrans60.324.5177-54.9-20.3000115.5S594 T614 V615 T616S594-N612 WeakPolarHBondContact CA-OD1 3.33Å; S594-N612 PolarHBondContact O-OD1 3.23Å; N612-T614 PolarHBondContact O-N 2.59Å; N612-V615 HydrophobicContact CB-CB 4.2Å; N612-V615 HydrophobicContact CB-CG2 4.42Å; N612-V615 PolarHBondContact O-N 2.7Å; N612-T616 PolarHBondContact O-N 3.19Å; N612-T616 VanDerWaalsContact O-N 3.08Å; N612-T616 PolarHBondContact O-OG1 3.46Å
613L79.2Confident82.1Confident10 Ų1078.8 Ų78.85%0.05242%0.416CS..Hα-helixtrans-55.8-37.6-175.8-168.599.8000113.1V586 Y598 Y610 Q611 D617 I620V586-L613 HydrophobicContact CB-CD2 3.47Å; V586-L613 VanDerWaalsContact CB-CD2 3.47Å; V586-L613 HydrophobicContact CG1-CD2 4.07Å; V586-L613 HydrophobicContact CG2-CD2 3.55Å; Y598-L613 HydrophobicContact CD2-CB 3.77Å; Y598-L613 HydrophobicContact CE2-CB 4.22Å; Y598-L613 HydrophobicContact CG-CB 4.21Å; Y610-L613 HydrophobicContact CD1-CD1 3.61Å; Y610-L613 HydrophobicContact CD2-CD1 3.85Å; Y610-L613 HydrophobicContact CE1-CD1 4.26Å; Y610-L613 HydrophobicContact CE2-CD1 4.46Å; Y610-L613 HydrophobicContact CG-CD1 3.37Å; Q611-L613 PolarHBondContact O-N 2.91Å; L613-D617 PolarHBondContact O-N 3.02Å; L613-I620 HydrophobicContact CD1-CD1 3.8Å; L613-I620 HydrophobicContact CD1-CG1 3.88Å; L613-I620 HydrophobicContact CD2-CD1 4.09Å
614T73.6Confident82.1Confident30 Ų3077.1 Ų77.118%0.18440%0.398CS..Hα-helixtrans-80-14.6178.148.10000113.8Q588 T593 Y598 N612Q588-T614 HydrophobicContact CB-CG2 4.08Å; T593-T614 WeakPolarHBondContact CB-OG1 3.41Å; T593-T614 VanDerWaalsContact CG2-OG1 3.26Å; T593-T614 WeakPolarHBondContact CG2-OG1 3.43Å; Y598-T614 HydrophobicContact CE1-CG2 4.2Å; Y598-T614 HydrophobicContact CE2-CG2 4.47Å; Y598-T614 PolarHBondContact OH-OG1 3.32Å; N612-T614 PolarHBondContact O-N 2.59Å
615V70.2Confident81.9Confident89 Ų8981.1 Ų81.154%0.53942%0.415SS..Hα-helixtrans-93.1-35.3-178.9-178.20000111T593 N612 D617T593-V615 VanDerWaalsContact OG1-CG2 3.24Å; T593-V615 WeakPolarHBondContact OG1-CG2 3.42Å; N612-V615 HydrophobicContact CB-CB 4.2Å; N612-V615 HydrophobicContact CB-CG2 4.42Å; N612-V615 PolarHBondContact O-N 2.7Å; V615-D617 VanDerWaalsContact C-N 3.33Å
616T61.3Low81.9Confident71 Ų7185 Ų8544%0.43642%0.416SS..Hα-helixtrans-85.2-10.7178.655.80000113N612 E618N612-T616 PolarHBondContact O-N 3.19Å; N612-T616 VanDerWaalsContact O-N 3.08Å; N612-T616 PolarHBondContact O-OG1 3.46Å; T616-E618 PolarHBondContact O-N 3.24Å
617D63.9Low81.7Confident121 Ų12185.9 Ų85.965%0.64742%0.423SS*.THydrogen-bonded Turntrans49.330.1-173.7-135.115.2000112L613 V615 P619L613-D617 PolarHBondContact O-N 3.02Å; V615-D617 VanDerWaalsContact C-N 3.33Å; D617-P619 WeakPolarHBondContact O-CD 3.35Å
618E67.8Low81.4Confident125 Ų12578.2 Ų78.258%0.58440%0.402SS*.  trans-75.2119.1-174-87.7-177.1-179.600110.2T616 I620T616-E618 PolarHBondContact O-N 3.24Å; E618-I620 PolarHBondContact O-N 3.48Å
619P73.9Confident81.3Confident73 Ų7379.8 Ų79.847%0.47441%0.412SS..  trans-69.3132179.124.1-29.9000111.2T583 D617 Q621T583-P619 HydrophobicContact CG2-CB 3.23Å; T583-P619 HydrophobicContact CG2-CG 4.48Å; D617-P619 WeakPolarHBondContact O-CD 3.35Å; P619-Q621 PolarHBondContact O-N 2.79Å
620I86.2Confident81.4Confident9 Ų977 Ų775%0.04640%0.396CS..EExtended strand (participates in β ladder)trans-84.9110171.5-54.7169.8000107.9T583 F584 V600 Y610 L613 E618T583-I620 CarbonylContact C-O 3.41Å; T583-I620 WeakPolarHBondContact CA-O 3.25Å; F584-I620 HydrophobicContact CB-CB 4.17Å; F584-I620 PolarHBondContact N-O 2.83Å; F584-I620 PolarHBondContact O-N 2.63Å; F584-I620 VanDerWaalsContact O-N 3.14Å; V600-I620 HydrophobicContact CG1-CD1 4.25Å; V600-I620 HydrophobicContact CG2-CD1 3.91Å; Y610-I620 HydrophobicContact CD2-CD1 4.27Å; Y610-I620 HydrophobicContact CE2-CD1 3.82Å; Y610-I620 HydrophobicContact CE2-CG1 4.28Å; L613-I620 HydrophobicContact CD1-CD1 3.8Å; L613-I620 HydrophobicContact CD1-CG1 3.88Å; L613-I620 HydrophobicContact CD2-CD1 4.09Å; E618-I620 PolarHBondContact O-N 3.48Å
621Q88.2Confident81.7Confident140 Ų14078.1 Ų78.165%0.65440%0.402SS*.EExtended strand (participates in β ladder)trans-91136.1176.6-67.2-174.9-18.400111.5I582 P619I582-Q621 CarbonylContact O-C 3.56Å; I582-Q621 VanDerWaalsContact O-CA 3.28Å; I582-Q621 WeakPolarHBondContact O-CA 3.26Å; P619-Q621 PolarHBondContact O-N 2.79Å
622H90.6Very high82.2Confident32 Ų3270.6 Ų70.615%0.14837%0.367CS..EExtended strand (participates in β ladder)trans-149.6156.7178.6-168.356.7000112.3I582 F584 L602 D604 Y624I582-H622 PolarHBondContact N-O 3.08Å; I582-H622 PolarHBondContact O-N 3.43Å; F584-H622 HydrophobicContact CD2-CB 4.46Å; F584-H622 HydrophobicContact CE2-CB 3.95Å; L602-H622 HydrophobicContact CD1-CB 3.83Å; L602-H622 VanDerWaalsContact CD1-CG 3.43Å; D604-H622 IonicContact OD2-CD2 3.57Å; D604-H622 IonicContact OD2-CE1 3.56Å; D604-H622 PolarHBondContact OD2-CE1 3.05Å; D604-H622 VanDerWaalsContact OD2-CE1 3.23Å; D604-H622 IonicContact OD2-NE2 3.48Å; D604-H622 PolarHBondContact OD2-NE2 3Å; H622-Y624 AromaticContact CD2-CE1 3.82Å; H622-Y624 AromaticContact CD2-CE2 3.85Å; H622-Y624 AromaticContact CD2-CZ 3.74Å; H622-Y624 AromaticContact NE2-CD1 3.83Å; H622-Y624 AromaticContact NE2-CE1 3.77Å
623R91.2Very high83Confident127 Ų12768.9 Ų68.948%0.47936%0.359SS..  trans-131.4124.5173.9-62.8-175-178.7-152.3-5.8109.9D581D581-R623 IonicContact OD1-CZ 3.74Å; D581-R623 IonicContact OD1-NE 2.63Å; D581-R623 PolarHBondContact OD1-NE 3.38Å; D581-R623 IonicContact OD1-NH2 3.57Å; D581-R623 PolarHBondContact OD1-NH2 3.41Å; D581-R623 IonicContact OD2-CZ 3.23Å; D581-R623 IonicContact OD2-NE 3.94Å; D581-R623 IonicContact OD2-NH2 3.89Å; D581-R623 PolarHBondContact OD2-NH2 3Å
624Y90.6Very high83.7Confident2 Ų268.4 Ų68.41%0.00836%0.357CS..  trans-89.7126.6172.3-68-77.6000110.3P578 G579 I582 F584 L602 D604 H622 Y630 V632 I649 V651P578-Y624 CarbonylContact C-O 3.6Å; P578-Y624 VanDerWaalsContact CA-O 3.26Å; P578-Y624 WeakPolarHBondContact CA-O 3.3Å; G579-Y624 PolarHBondContact N-O 3.28Å; I582-Y624 HydrophobicContact CD1-CD2 3.43Å; I582-Y624 VanDerWaalsContact CD1-CD2 3.43Å; I582-Y624 HydrophobicContact CD1-CE2 3.72Å; F584-Y624 HydrophobicContact CZ-CE2 4.23Å; L602-Y624 PolarHBondContact O-OH 2.85Å; D604-Y624 HydrophobicContact CB-CD1 4.14Å; D604-Y624 HydrophobicContact CB-CE1 3.99Å; H622-Y624 AromaticContact CD2-CE1 3.82Å; H622-Y624 AromaticContact CD2-CE2 3.85Å; H622-Y624 AromaticContact CD2-CZ 3.74Å; H622-Y624 AromaticContact NE2-CD1 3.83Å; H622-Y624 AromaticContact NE2-CE1 3.77Å; Y624-Y630 AromaticContact CD1-CD1 3.92Å; Y624-Y630 HydrophobicContact CD1-CD1 3.92Å; Y624-Y630 AromaticContact CD1-CD2 3.8Å; Y624-Y630 HydrophobicContact CD1-CD2 3.8Å; Y624-Y630 AromaticContact CD1-CE1 3.92Å; Y624-Y630 HydrophobicContact CD1-CE1 3.92Å; Y624-Y630 AromaticContact CD1-CE2 3.8Å; Y624-Y630 HydrophobicContact CD1-CE2 3.8Å; Y624-Y630 AromaticContact CD1-CG 3.85Å; Y624-Y630 HydrophobicContact CD1-CG 3.85Å; Y624-Y630 AromaticContact CD1-CZ 3.84Å; Y624-Y630 AromaticContact CE1-CD1 3.65Å; Y624-Y630 HydrophobicContact CE1-CD1 3.65Å; Y624-Y630 AromaticContact CE1-CD2 3.91Å; Y624-Y630 HydrophobicContact CE1-CD2 3.91Å; Y624-Y630 HydrophobicContact CE1-CE1 4.11Å; Y624-Y630 HydrophobicContact CE1-CE2 4.34Å; Y624-Y630 AromaticContact CE1-CG 3.52Å; Y624-Y630 HydrophobicContact CE1-CG 3.52Å; Y624-Y630 HydrophobicContact CG-CD2 4.22Å; Y624-Y630 HydrophobicContact CG-CE2 4.16Å; Y624-V632 WeakPolarHBondContact OH-CG2 3.46Å; Y624-I649 HydrophobicContact CE2-CD1 4.2Å; Y624-I649 HydrophobicContact CE2-CG2 4.29Å; Y624-V651 HydrophobicContact CD1-CG2 4.43Å; Y624-V651 HydrophobicContact CD2-CG2 3.6Å; Y624-V651 HydrophobicContact CE2-CG2 4.38Å; Y624-V651 HydrophobicContact CG-CG2 3.64Å
625E87.4Confident84.7Confident144 Ų14469.4 Ų69.467%0.67336%0.358SS*.  trans-90-32.5-179.6-65.7-65.8161.500112.8
626Q86.3Confident85.8Confident143 Ų14365.2 Ų65.267%0.66833%0.333SS*.SBendtrans-102.6135-175.5-65.4-175.69.500111.1Y630Q626-Y630 WeakPolarHBondContact CB-OH 3.41Å; Q626-Y630 WeakPolarHBondContact O-CE2 3.44Å; Q626-Y630 PolarHBondContact O-OH 3.33Å
627P85.9Confident87.4Confident77 Ų7765.1 Ų65.150%0.533%0.328SS..  trans-61138.7170.6-21.632.1000111.6P578 V651 E653P578-P627 HydrophobicContact CG-CG 3.96Å; P627-V651 CarbonylContact C-O 3.51Å; P627-V651 VanDerWaalsContact CA-O 3.26Å; P627-V651 WeakPolarHBondContact CA-O 3.37Å; P627-E653 HydrophobicContact CG-CG 4.35Å
628G86.6Confident88.7Confident28 Ų2860.2 Ų60.229%0.28930%0.301SS..EExtended strand (participates in β ladder)trans165.1175.4-177.600000113.6V651G628-V651 PolarHBondContact N-O 2.93Å; G628-V651 PolarHBondContact O-N 3.08Å
629V89Confident89.8Confident84 Ų8463 Ų6351%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-102.2119.7171-178.80000108.2Y648 I649 L685V629-Y648 HydrophobicContact CG1-CD1 4.21Å; V629-I649 CarbonylContact C-O 3.57Å; V629-I649 WeakPolarHBondContact CA-O 3.29Å; V629-L685 HydrophobicContact CG2-CD1 3.75Å
630Y91.2Very high90.5Very high28 Ų2861.7 Ų61.711%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-108.2132.6-177.7-63-88.1000110.1D604 Y624 Q626 Y648 I649 V651D604-Y630 HydrophobicContact CB-CD1 3.86Å; D604-Y630 HydrophobicContact CB-CE1 3.63Å; Y624-Y630 AromaticContact CD1-CD1 3.92Å; Y624-Y630 HydrophobicContact CD1-CD1 3.92Å; Y624-Y630 AromaticContact CD1-CD2 3.8Å; Y624-Y630 HydrophobicContact CD1-CD2 3.8Å; Y624-Y630 AromaticContact CD1-CE1 3.92Å; Y624-Y630 HydrophobicContact CD1-CE1 3.92Å; Y624-Y630 AromaticContact CD1-CE2 3.8Å; Y624-Y630 HydrophobicContact CD1-CE2 3.8Å; Y624-Y630 AromaticContact CD1-CG 3.85Å; Y624-Y630 HydrophobicContact CD1-CG 3.85Å; Y624-Y630 AromaticContact CD1-CZ 3.84Å; Y624-Y630 AromaticContact CE1-CD1 3.65Å; Y624-Y630 HydrophobicContact CE1-CD1 3.65Å; Y624-Y630 AromaticContact CE1-CD2 3.91Å; Y624-Y630 HydrophobicContact CE1-CD2 3.91Å; Y624-Y630 HydrophobicContact CE1-CE1 4.11Å; Y624-Y630 HydrophobicContact CE1-CE2 4.34Å; Y624-Y630 AromaticContact CE1-CG 3.52Å; Y624-Y630 HydrophobicContact CE1-CG 3.52Å; Y624-Y630 HydrophobicContact CG-CD2 4.22Å; Y624-Y630 HydrophobicContact CG-CE2 4.16Å; Q626-Y630 WeakPolarHBondContact CB-OH 3.41Å; Q626-Y630 WeakPolarHBondContact O-CE2 3.44Å; Q626-Y630 PolarHBondContact O-OH 3.33Å; Y630-Y648 WeakPolarHBondContact O-CA 3.29Å; Y630-I649 PolarHBondContact N-O 2.92Å; Y630-I649 PolarHBondContact O-N 2.75Å; Y630-V651 HydrophobicContact CD2-CB 4.19Å; Y630-V651 HydrophobicContact CD2-CG2 3.49Å; Y630-V651 VanDerWaalsContact CD2-CG2 3.49Å; Y630-V651 HydrophobicContact CE2-CB 3.85Å; Y630-V651 HydrophobicContact CE2-CG2 3.52Å
631K93.7Very high90.7Very high89 Ų8962.3 Ų62.339%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-94.3108.2173.1-177.8-174.8172.3-173.30108.7G603 Y648G603-K631 WeakPolarHBondContact CA-O 3.4Å; K631-Y648 HydrophobicContact CB-CD1 4.1Å; K631-Y648 HydrophobicContact CB-CE1 3.8Å; K631-Y648 HydrophobicContact CD-CE1 4.2Å; K631-Y648 HydrophobicContact CG-CD1 4.37Å; K631-Y648 HydrophobicContact CG-CE1 3.84Å
632V92.5Very high91Very high0 Ų061.1 Ų61.10%032%0.315CS..EExtended strand (participates in β ladder)trans-88.1124.9173.91800000108.8V567 F584 D601 L602 Y624 T646 M647 I649V567-V632 HydrophobicContact CG2-CG1 4.43Å; F584-V632 HydrophobicContact CD1-CG1 4.32Å; F584-V632 HydrophobicContact CE1-CB 4.28Å; F584-V632 HydrophobicContact CE1-CG1 3.97Å; F584-V632 HydrophobicContact CE1-CG2 3.75Å; F584-V632 HydrophobicContact CZ-CG2 3.94Å; D601-V632 CarbonylContact O-C 3.58Å; D601-V632 VanDerWaalsContact O-CA 3.32Å; D601-V632 WeakPolarHBondContact O-CA 3.43Å; L602-V632 HydrophobicContact CD2-CG1 3.93Å; L602-V632 HydrophobicContact CD2-CG2 4.45Å; Y624-V632 WeakPolarHBondContact OH-CG2 3.46Å; V632-T646 CarbonylContact O-C 3.51Å; V632-T646 VanDerWaalsContact O-CA 3.28Å; V632-T646 WeakPolarHBondContact O-CA 3.15Å; V632-M647 HydrophobicContact CB-CG 3.77Å; V632-M647 HydrophobicContact CG1-CG 4.31Å; V632-M647 HydrophobicContact CG2-CG 4.48Å; V632-M647 PolarHBondContact N-O 3.36Å; V632-M647 PolarHBondContact O-N 3.06Å; V632-I649 HydrophobicContact CG2-CD1 4.06Å; V632-I649 HydrophobicContact CG2-CG1 4.45Å
633T94.7Very high91.3Very high25 Ų2561.7 Ų61.715%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-123128.1-178.8-51.50000109.3V600 D601 E644 T646V600-T633 WeakPolarHBondContact CA-O 3.5Å; D601-T633 PolarHBondContact N-O 3.34Å; D601-T633 PolarHBondContact O-N 2.65Å; T633-E644 HydrophobicContact CG2-CG 3.85Å; T633-E644 WeakPolarHBondContact CG2-OE1 3.41Å; T633-T646 HydrophobicContact CG2-CG2 3.9Å
634V93.9Very high91.5Very high0 Ų060.6 Ų60.60%032%0.319CS..EExtended strand (participates in β ladder)trans-118.7119.9172.6-173.80000108.1L565 V567 V586 Y598 Q599 V600 E644 A645L565-V634 HydrophobicContact CD2-CB 4.39Å; L565-V634 HydrophobicContact CD2-CG1 4.15Å; L565-V634 VanDerWaalsContact CD2-O 3.23Å; L565-V634 WeakPolarHBondContact CD2-O 3.33Å; V567-V634 HydrophobicContact CB-CG2 3.96Å; V567-V634 HydrophobicContact CG1-CG2 4.45Å; V567-V634 HydrophobicContact CG2-CG2 3.8Å; V586-V634 HydrophobicContact CG1-CG1 3.9Å; V586-V634 HydrophobicContact CG2-CG1 4.14Å; V586-V634 HydrophobicContact CG2-CG2 4Å; Y598-V634 HydrophobicContact CD1-CG1 4.45Å; Q599-V634 CarbonylContact O-C 3.56Å; Q599-V634 WeakPolarHBondContact O-CA 3.47Å; V600-V634 HydrophobicContact CG1-CG2 4.33Å; V600-V634 HydrophobicContact CG2-CG1 4.1Å; V600-V634 HydrophobicContact CG2-CG2 4.21Å; V634-E644 WeakPolarHBondContact O-CA 3.37Å; V634-A645 PolarHBondContact N-O 3.07Å; V634-A645 PolarHBondContact O-N 3.49Å
635K94.3Very high91.6Very high51 Ų5160.9 Ų60.922%0.22232%0.322CS..EExtended strand (participates in β ladder)trans-110.1116.8174.1-171.8-171-178.8-151.90109.4Y598 Q599 E637 D643Y598-K635 CarbonylContact C-O 3.57Å; Y598-K635 WeakPolarHBondContact CA-O 3.49Å; Q599-K635 HydrophobicContact CB-CB 4.35Å; Q599-K635 PolarHBondContact N-O 2.83Å; Q599-K635 PolarHBondContact O-N 2.68Å; K635-E637 VanDerWaalsContact NZ-CD 3.28Å; K635-E637 IonicContact NZ-OE1 2.75Å; K635-E637 PolarHBondContact NZ-OE1 2.93Å; K635-E637 IonicContact NZ-OE2 3.22Å; K635-E637 PolarHBondContact NZ-OE2 3.21Å; K635-D643 CarbonylContact C-O 3.51Å; K635-D643 WeakPolarHBondContact CA-O 3.26Å
636A93.6Very high91.8Very high0 Ų057.3 Ų57.30%031%0.31CS..EExtended strand (participates in β ladder)trans-92.5127.1170.700000108.7P562 L565 T596 R597 Y598 H642 D643P562-A636 HydrophobicContact CB-CB 3.82Å; P562-A636 HydrophobicContact CG-CB 4.01Å; P562-A636 WeakPolarHBondContact CG-O 3.41Å; L565-A636 HydrophobicContact CD1-CB 3.92Å; L565-A636 HydrophobicContact CD2-CB 3.67Å; L565-A636 HydrophobicContact CG-CB 4.38Å; T596-A636 HydrophobicContact CG2-CB 3.75Å; R597-A636 WeakPolarHBondContact O-CA 3.37Å; Y598-A636 HydrophobicContact CD1-CB 3.73Å; Y598-A636 HydrophobicContact CE1-CB 3.58Å; A636-H642 CarbonylContact O-C 3.57Å; A636-H642 WeakPolarHBondContact O-CA 3.44Å; A636-H642 WeakPolarHBondContact O-CB 3.44Å; A636-D643 PolarHBondContact N-O 2.85Å; A636-D643 PolarHBondContact O-N 2.86Å
637E93.9Very high92Very high70 Ų7051.3 Ų51.333%0.32728%0.282SS..EExtended strand (participates in β ladder)trans-141.4131.3-175.9-177167.6-157.700111.4R597 Q599 K635 H642R597-E637 PolarHBondContact N-O 2.81Å; R597-E637 PolarHBondContact O-N 2.84Å; Q599-E637 PolarHBondContact NE2-OE2 2.94Å; K635-E637 VanDerWaalsContact NZ-CD 3.28Å; K635-E637 IonicContact NZ-OE1 2.75Å; K635-E637 PolarHBondContact NZ-OE1 2.93Å; K635-E637 IonicContact NZ-OE2 3.22Å; K635-E637 PolarHBondContact NZ-OE2 3.21Å; E637-H642 HydrophobicContact CB-CB 4.13Å; E637-H642 HydrophobicContact CG-CB 4.17Å
638N91Very high92.1Very high17 Ų1754.3 Ų54.39%0.09129%0.285CS..  trans-135.3-176.9169.372.711.7000110L560 P562 A640 G641L560-N638 PolarHBondContact O-ND2 3.14Å; P562-N638 WeakPolarHBondContact CD-OD1 3.36Å; N638-A640 PolarHBondContact O-N 2.75Å; N638-A640 WeakPolarHBondContact OD1-CA 3.32Å; N638-A640 WeakPolarHBondContact OD1-CB 3.42Å; N638-A640 PolarHBondContact OD1-N 2.87Å; N638-G641 PolarHBondContact N-O 3.18Å; N638-G641 PolarHBondContact O-N 3.49Å; N638-G641 VanDerWaalsContact O-O 3.04Å; N638-G641 PolarHBondContact OD1-N 2.84Å; N638-G641 PolarHBondContact OD1-O 3.34Å
639M90.4Very high92.2Very high184 Ų18453 Ų5391%0.90627%0.271SS*.SBendtrans-69.2-16.7-178-59-173.6-64.100113.8L559L559-M639 HydrophobicContact CD2-CB 3.66Å; L559-M639 HydrophobicContact CD2-CE 4.11Å
640A88.6Confident92.1Very high46 Ų4651.3 Ų51.338%0.3826%0.257SS..SBendtrans-89.6-25.8179.600000112.7L559 P561 N638L559-A640 HydrophobicContact CB-CB 4.24Å; L559-A640 HydrophobicContact CD2-CB 3.9Å; L559-A640 HydrophobicContact CG-CB 3.81Å; L559-A640 WeakPolarHBondContact O-CB 3.4Å; P561-A640 HydrophobicContact CB-CB 4.15Å; N638-A640 PolarHBondContact O-N 2.75Å; N638-A640 WeakPolarHBondContact OD1-CA 3.32Å; N638-A640 WeakPolarHBondContact OD1-CB 3.42Å; N638-A640 PolarHBondContact OD1-N 2.87Å
641G92.1Very high91.9Very high22 Ų2250 Ų5023%0.22725%0.252CS..  trans173.1-167.2178.100000113.8N638N638-G641 PolarHBondContact N-O 3.18Å; N638-G641 PolarHBondContact O-N 3.49Å; N638-G641 VanDerWaalsContact O-O 3.04Å; N638-G641 PolarHBondContact OD1-N 2.84Å; N638-G641 PolarHBondContact OD1-O 3.34Å
642H94.4Very high91.6Very high115 Ų11546.4 Ų46.453%0.53224%0.238SC..EExtended strand (participates in β ladder)trans-143155.8175.868.6-77.3000111A636 E637A636-H642 CarbonylContact O-C 3.57Å; A636-H642 WeakPolarHBondContact O-CA 3.44Å; A636-H642 WeakPolarHBondContact O-CB 3.44Å; E637-H642 HydrophobicContact CB-CB 4.13Å; E637-H642 HydrophobicContact CG-CB 4.17Å
643D95.3Very high91.2Very high43 Ų4350.6 Ų50.623%0.2326%0.258CS..EExtended strand (participates in β ladder)trans-135.4152170.6-161.58.7000109.2P562 K563 G564 L565 K635 A636P562-D643 HydrophobicContact CB-CB 4.43Å; P562-D643 HydrophobicContact CG-CB 4.44Å; P562-D643 WeakPolarHBondContact O-CB 3.28Å; K563-D643 VanDerWaalsContact C-OD2 3.31Å; K563-D643 WeakPolarHBondContact CA-OD2 3.47Å; G564-D643 PolarHBondContact N-OD2 3.37Å; L565-D643 HydrophobicContact CB-CB 4.08Å; L565-D643 WeakPolarHBondContact CB-OD2 3.49Å; L565-D643 PolarHBondContact N-OD2 2.62Å; K635-D643 CarbonylContact C-O 3.51Å; K635-D643 WeakPolarHBondContact CA-O 3.26Å; A636-D643 PolarHBondContact N-O 2.85Å; A636-D643 PolarHBondContact O-N 2.86Å
644E95.6Very high90.8Very high104 Ų10452.3 Ų52.349%0.48627%0.269SS..EExtended strand (participates in β ladder)trans-135.2127.3-175.7-171.5-179.6162.900110.7T633 V634 T646T633-E644 HydrophobicContact CG2-CG 3.85Å; T633-E644 WeakPolarHBondContact CG2-OE1 3.41Å; V634-E644 WeakPolarHBondContact O-CA 3.37Å; E644-T646 HydrophobicContact CG-CG2 4.5Å
645A93Very high90.6Very high9 Ų952.7 Ų52.77%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-117.1137.9175.400000109.6L565 V567 V634L565-A645 HydrophobicContact CB-CB 4.19Å; L565-A645 HydrophobicContact CD2-CB 4.02Å; L565-A645 HydrophobicContact CG-CB 3.86Å; L565-A645 WeakPolarHBondContact O-CB 3.26Å; V567-A645 HydrophobicContact CG1-CB 4.08Å; V634-A645 PolarHBondContact N-O 3.07Å; V634-A645 PolarHBondContact O-N 3.49Å
646T92.9Very high90.3Very high68 Ų6857.6 Ų57.642%0.41730%0.295SS..EExtended strand (participates in β ladder)trans-129.6143.4177.759.30000111.2V632 T633 E644V632-T646 CarbonylContact O-C 3.51Å; V632-T646 VanDerWaalsContact O-CA 3.28Å; V632-T646 WeakPolarHBondContact O-CA 3.15Å; T633-T646 HydrophobicContact CG2-CG2 3.9Å; E644-T646 HydrophobicContact CG-CG2 4.5Å
647M88.4Confident90Very high18 Ų1863 Ų639%0.08932%0.32CS..EExtended strand (participates in β ladder)trans-139.1156.6169.970173.9-62.700110.8V567 I569 L574 F584 V632 I649V567-M647 HydrophobicContact CB-SD 4.47Å; V567-M647 HydrophobicContact CG1-CB 3.96Å; V567-M647 HydrophobicContact CG1-CG 3.76Å; V567-M647 HydrophobicContact CG1-SD 4.08Å; V567-M647 HydrophobicContact CG2-CG 4.39Å; V567-M647 HydrophobicContact CG2-SD 3.87Å; I569-M647 HydrophobicContact CD1-CE 3.66Å; I569-M647 HydrophobicContact CG1-CE 3.79Å; I569-M647 HydrophobicContact CG1-SD 4.38Å; L574-M647 HydrophobicContact CD2-CE 3.51Å; F584-M647 HydrophobicContact CD1-SD 4.2Å; F584-M647 HydrophobicContact CE1-SD 4.17Å; V632-M647 HydrophobicContact CB-CG 3.77Å; V632-M647 HydrophobicContact CG1-CG 4.31Å; V632-M647 HydrophobicContact CG2-CG 4.48Å; V632-M647 PolarHBondContact N-O 3.36Å; V632-M647 PolarHBondContact O-N 3.06Å; M647-I649 HydrophobicContact CE-CD1 4.24Å; M647-I649 HydrophobicContact CE-CG1 3.89Å
648Y89.4Confident89.9Confident139 Ų13959.9 Ų59.955%0.54531%0.306SS..EExtended strand (participates in β ladder)trans-110.7133.5176.1-66.5-88000109.8V629 Y630 K631V629-Y648 HydrophobicContact CG1-CD1 4.21Å; Y630-Y648 WeakPolarHBondContact O-CA 3.29Å; K631-Y648 HydrophobicContact CB-CD1 4.1Å; K631-Y648 HydrophobicContact CB-CE1 3.8Å; K631-Y648 HydrophobicContact CD-CE1 4.2Å; K631-Y648 HydrophobicContact CG-CD1 4.37Å; K631-Y648 HydrophobicContact CG-CE1 3.84Å
649I87.8Confident89.8Confident1 Ų161.2 Ų61.21%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-115133.9173.8-66.3-178.8000108.7I569 V576 F584 Y624 V629 Y630 V632 M647 V651I569-I649 HydrophobicContact CD1-CD1 3.61Å; I569-I649 HydrophobicContact CD1-CG1 3.92Å; I569-I649 HydrophobicContact CG1-CD1 4.23Å; V576-I649 HydrophobicContact CG2-CG2 3.73Å; F584-I649 HydrophobicContact CD1-CD1 4.44Å; F584-I649 HydrophobicContact CE1-CD1 3.23Å; F584-I649 HydrophobicContact CE1-CG1 4.5Å; F584-I649 HydrophobicContact CZ-CD1 3.32Å; Y624-I649 HydrophobicContact CE2-CD1 4.2Å; Y624-I649 HydrophobicContact CE2-CG2 4.29Å; V629-I649 CarbonylContact C-O 3.57Å; V629-I649 WeakPolarHBondContact CA-O 3.29Å; Y630-I649 PolarHBondContact N-O 2.92Å; Y630-I649 PolarHBondContact O-N 2.75Å; V632-I649 HydrophobicContact CG2-CD1 4.06Å; V632-I649 HydrophobicContact CG2-CG1 4.45Å; M647-I649 HydrophobicContact CE-CD1 4.24Å; M647-I649 HydrophobicContact CE-CG1 3.89Å; I649-V651 HydrophobicContact CG2-CG2 4.01Å
650Q87.1Confident89.8Confident48 Ų4852.5 Ų52.522%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-101.2111.9172.9-177.7171.51.500109.1L574 A575 V576 T652L574-Q650 PolarHBondContact O-N 2.83Å; A575-Q650 CarbonylContact C-O 3.59Å; A575-Q650 VanDerWaalsContact CA-O 3.29Å; A575-Q650 WeakPolarHBondContact CA-O 3.46Å; V576-Q650 PolarHBondContact N-O 2.9Å; Q650-T652 HydrophobicContact CG-CG2 3.67Å
651V88.3Confident89.7Confident0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-96.9104174.3-175.30000107.4V576 P578 Y624 P627 G628 Y630 I649V576-V651 HydrophobicContact CG2-CB 4.35Å; V576-V651 HydrophobicContact CG2-CG2 3.77Å; V576-V651 CarbonylContact O-C 3.47Å; V576-V651 VanDerWaalsContact O-CA 3.29Å; V576-V651 WeakPolarHBondContact O-CA 3.38Å; P578-V651 HydrophobicContact CB-CG1 4.35Å; P578-V651 HydrophobicContact CG-CG1 3.95Å; Y624-V651 HydrophobicContact CD1-CG2 4.43Å; Y624-V651 HydrophobicContact CD2-CG2 3.6Å; Y624-V651 HydrophobicContact CE2-CG2 4.38Å; Y624-V651 HydrophobicContact CG-CG2 3.64Å; P627-V651 CarbonylContact C-O 3.51Å; P627-V651 VanDerWaalsContact CA-O 3.26Å; P627-V651 WeakPolarHBondContact CA-O 3.37Å; G628-V651 PolarHBondContact N-O 2.93Å; G628-V651 PolarHBondContact O-N 3.08Å; Y630-V651 HydrophobicContact CD2-CB 4.19Å; Y630-V651 HydrophobicContact CD2-CG2 3.49Å; Y630-V651 VanDerWaalsContact CD2-CG2 3.49Å; Y630-V651 HydrophobicContact CE2-CB 3.85Å; Y630-V651 HydrophobicContact CE2-CG2 3.52Å; I649-V651 HydrophobicContact CG2-CG2 4.01Å
652T86.7Confident89.3Confident15 Ų1554.1 Ų54.19%0.09227%0.266CS..  trans-132.7136.4-177.543.20000110.8V576 Q650 N724V576-T652 PolarHBondContact O-N 2.86Å; Q650-T652 HydrophobicContact CG-CG2 3.67Å; T652-N724 PolarHBondContact OG1-O 3.25Å
653E84.8Confident88.8Confident87 Ų8751.6 Ų51.641%0.40726%0.259SS..PPolyproline II helixtrans-62.4142.2171.4-67.2-179.7-178.900110.1P578 P627 L655 N724P578-E653 HydrophobicContact CG-CG 3.91Å; P627-E653 HydrophobicContact CG-CG 4.35Å; E653-L655 PolarHBondContact O-N 3.24Å; E653-N724 PolarHBondContact O-ND2 2.86Å
654P86.3Confident88.1Confident61 Ų6151.6 Ų51.640%0.39626%0.261SS..PPolyproline II helixtrans-64.1136.1176.827.2-33.5000110.7Q656 S727P654-Q656 PolarHBondContact O-N 2.91Å; P654-S727 WeakPolarHBondContact CA-OG 3.41Å
655L89.1Confident87.6Confident9 Ų946.9 Ų46.95%0.04724%0.239CC..PPolyproline II helixtrans-63.5129.1168.9-60.9177.5000108.7E653 V678 A683 T686 A722 N724 S727 V729E653-L655 PolarHBondContact O-N 3.24Å; L655-V678 HydrophobicContact CD2-CB 4.4Å; L655-A683 HydrophobicContact CD2-CB 3.73Å; L655-T686 HydrophobicContact CD1-CG2 4.1Å; L655-A722 HydrophobicContact CD1-CB 4.07Å; L655-A722 WeakPolarHBondContact CD1-O 3.36Å; L655-N724 HydrophobicContact CD1-CB 4.14Å; L655-N724 HydrophobicContact CD2-CB 4.5Å; L655-N724 HydrophobicContact CG-CB 4.18Å; L655-S727 PolarHBondContact N-OG 3.19Å; L655-V729 HydrophobicContact CB-CG1 4.08Å; L655-V729 HydrophobicContact CB-CG2 3.81Å; L655-V729 HydrophobicContact CD1-CG2 4.03Å
656Q88Confident87.3Confident154 Ų15446.6 Ų46.672%0.7224%0.237SC*.  trans-90.2-43.8179-62.3178.920.100110.8P654 L679P654-Q656 PolarHBondContact O-N 2.91Å; Q656-L679 HydrophobicContact CB-CB 4.46Å; Q656-L679 PolarHBondContact N-O 2.89Å
657E88Confident86.9Confident114 Ų11449.5 Ų49.553%0.53324%0.24SC..EExtended strand (participates in β ladder)trans-157.4156.6-175.4-168173-168.500110.7L679E657-L679 HydrophobicContact CB-CD1 4.39Å; E657-L679 PolarHBondContact O-N 3.13Å
658V90.6Very high86.8Confident3 Ų354.2 Ų54.22%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-126.1135.3165.361.20000108.2A676 V677 V678 V720 A722 V729 D731V658-A676 HydrophobicContact CG2-CB 3.95Å; V658-V677 CarbonylContact C-O 3.48Å; V658-V677 WeakPolarHBondContact CA-O 3.46Å; V658-V678 HydrophobicContact CB-CG1 4.09Å; V658-V678 HydrophobicContact CG2-CG1 3.81Å; V658-V720 HydrophobicContact CG2-CG1 3.98Å; V658-A722 HydrophobicContact CB-CB 4.19Å; V658-A722 HydrophobicContact CG2-CB 4.15Å; V658-V729 HydrophobicContact CB-CG2 3.8Å; V658-V729 HydrophobicContact CG1-CB 4.17Å; V658-V729 HydrophobicContact CG1-CG2 3.79Å; V658-D731 HydrophobicContact CG1-CB 4.12Å; V658-D731 WeakPolarHBondContact O-CB 3.4Å
659H88.7Confident86.6Confident46 Ų4651.6 Ų51.621%0.21325%0.252CS..EExtended strand (participates in β ladder)trans-113.3124.3174.2-170.373.6000110E661 V677 D731 K733 P760H659-E661 PolarHBondContact O-N 2.95Å; H659-V677 HydrophobicContact CB-CB 4.49Å; H659-V677 PolarHBondContact N-O 2.78Å; H659-V677 PolarHBondContact O-N 3.46Å; H659-D731 IonicContact ND1-OD2 2.72Å; H659-K733 PolarHBondContact CE1-NZ 3.02Å; H659-K733 PolarHBondContact NE2-NZ 3.48Å; H659-P760 WeakPolarHBondContact NE2-CG 3.4Å
660L90.3Very high86.5Confident0 Ų052.6 Ų52.60%026%0.264CS..EExtended strand (participates in β ladder)trans-85109.7176.5177.755.7000110.4A662 L674 W690 V718 V720 D731 K733L660-A662 HydrophobicContact CG-CB 4.42Å; L660-L674 HydrophobicContact CD1-CB 4.44Å; L660-W690 HydrophobicContact CD1-CH2 4.32Å; L660-W690 HydrophobicContact CD1-CZ3 3.59Å; L660-V718 HydrophobicContact CD2-CB 4.07Å; L660-V718 HydrophobicContact CD2-CG1 3.74Å; L660-V718 WeakPolarHBondContact CD2-O 3.4Å; L660-V720 HydrophobicContact CB-CG1 3.89Å; L660-V720 HydrophobicContact CD1-CB 4.4Å; L660-V720 HydrophobicContact CD1-CG1 4.05Å; L660-V720 HydrophobicContact CD2-CG1 4.5Å; L660-V720 HydrophobicContact CG-CG1 4.36Å; L660-D731 HydrophobicContact CB-CB 4.38Å; L660-D731 WeakPolarHBondContact CB-OD2 3.5Å; L660-D731 PolarHBondContact N-OD2 3.24Å; L660-K733 HydrophobicContact CB-CG 4.4Å; L660-K733 HydrophobicContact CD2-CB 3.97Å; L660-K733 HydrophobicContact CD2-CG 4.33Å; L660-K733 HydrophobicContact CG-CB 4.47Å; L660-K733 HydrophobicContact CG-CG 4.46Å; L660-K733 WeakPolarHBondContact O-CD 3.16Å; L660-K733 WeakPolarHBondContact O-CE 3.49Å; L660-K733 PolarHBondContact O-NZ 3.41Å
661E86.3Confident86.5Confident79 Ų7956 Ų5637%0.36928%0.279SS..EExtended strand (participates in β ladder)trans-88.8112.5167.4-64.6-168.4158.700110H659 T675 V677H659-E661 PolarHBondContact O-N 2.95Å; E661-T675 PolarHBondContact N-O 2.61Å; E661-T675 PolarHBondContact O-N 2.82Å; E661-V677 HydrophobicContact CG-CG2 4.23Å
662A85.5Confident86.5Confident24 Ų2456.1 Ų56.120%0.19828%0.28CS..  trans-139.7147.1177.200000109.6L660 L674 V735L660-A662 HydrophobicContact CG-CB 4.42Å; A662-L674 HydrophobicContact CB-CD2 3.52Å; A662-V735 HydrophobicContact CB-CG2 4.18Å
663V82.6Confident86.7Confident61 Ų6159.6 Ų59.637%0.3730%0.298SS..  trans-65.9131.8169.9-71.40000109.3I665 V672V663-I665 PolarHBondContact O-N 3.05Å; V663-V672 HydrophobicContact CG2-CG1 3.84Å; V663-V672 HydrophobicContact CG2-CG2 4.38Å
664P81.6Confident87.1Confident43 Ų4355.4 Ų55.428%0.27928%0.279SS..SBendtrans-70.9-20.7-176.627.1-34.2000112.7R736 V788P664-R736 PolarHBondContact O-N 3.03Å; P664-V788 HydrophobicContact CG-CB 4.48Å; P664-V788 HydrophobicContact CG-CG1 4.17Å; P664-V788 HydrophobicContact CG-CG2 3.45Å; P664-V788 VanDerWaalsContact CG-CG2 3.45Å
665I84.5Confident87.3Confident5 Ų553.9 Ų53.93%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-128.4128.9179.2-64.6164.4000109.7V663 R736 Y738 F741 V786 Y800 L802V663-I665 PolarHBondContact O-N 3.05Å; I665-R736 CarbonylContact C-O 3.6Å; I665-R736 WeakPolarHBondContact CA-O 3.26Å; I665-Y738 HydrophobicContact CG2-CD2 3.98Å; I665-Y738 HydrophobicContact CG2-CE2 4.47Å; I665-F741 HydrophobicContact CG2-CD1 4.26Å; I665-F741 HydrophobicContact CG2-CE1 3.97Å; I665-F741 HydrophobicContact CG2-CE2 4.49Å; I665-F741 HydrophobicContact CG2-CZ 4.1Å; I665-V786 HydrophobicContact CD1-CB 3.54Å; I665-V786 HydrophobicContact CD1-CG1 3.62Å; I665-V786 HydrophobicContact CD1-CG2 3.87Å; I665-Y800 HydrophobicContact CB-CD1 3.99Å; I665-Y800 HydrophobicContact CB-CE1 4.1Å; I665-Y800 HydrophobicContact CB-CG 4.5Å; I665-Y800 HydrophobicContact CD1-CD1 4.06Å; I665-Y800 HydrophobicContact CD1-CD2 4.25Å; I665-Y800 HydrophobicContact CD1-CG 3.75Å; I665-Y800 HydrophobicContact CG2-CD1 3.81Å; I665-Y800 HydrophobicContact CG2-CE1 4.14Å; I665-L802 HydrophobicContact CD1-CD1 4.48Å; I665-L802 HydrophobicContact CD1-CD2 4.22Å
666A85.6Confident87.4Confident4 Ų453.5 Ų53.53%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-123.2150.4176.800000111.4V672 F710 V735 R736 V737 Y738A666-V672 HydrophobicContact CB-CG2 3.53Å; A666-F710 HydrophobicContact CB-CD2 4.23Å; A666-V735 HydrophobicContact CB-CG1 3.8Å; A666-R736 PolarHBondContact N-O 3.33Å; A666-V737 HydrophobicContact CB-CG2 4.42Å; A666-V737 WeakPolarHBondContact O-CA 3.49Å; A666-Y738 PolarHBondContact O-N 2.87Å
667R84.9Confident87.5Confident128 Ų12848.6 Ų48.648%0.48325%0.247SC..EExtended strand (participates in β ladder)trans-84.6140.1169.5-174178.7-70.9-176.6-3.8109.1N669 G670 Y738 F741R667-N669 PolarHBondContact O-N 2.9Å; R667-G670 WeakPolarHBondContact O-CA 3.18Å; R667-G670 PolarHBondContact O-N 3.45Å; R667-Y738 WeakPolarHBondContact CA-O 3.48Å; R667-F741 HydrophobicContact CB-CE1 3.76Å; R667-F741 HydrophobicContact CB-CZ 4.11Å; R667-F741 HydrophobicContact CG-CE1 4.43Å
668R86.3Confident87.5Confident118 Ų11843.8 Ų43.845%0.44523%0.225SC..THydrogen-bonded Turntrans-51.4129.7171.9-165.6-179.379-165.6-2110.5G670 P711 V737 Y738 D739R668-G670 PolarHBondContact O-N 3.45Å; R668-G670 VanDerWaalsContact O-N 3.09Å; R668-P711 VanDerWaalsContact CD-O 3.24Å; R668-P711 WeakPolarHBondContact CD-O 3.27Å; R668-P711 VanDerWaalsContact CG-O 3.25Å; R668-P711 WeakPolarHBondContact CG-O 3.31Å; R668-V737 HydrophobicContact CB-CG1 4.24Å; R668-Y738 PolarHBondContact N-O 3.48Å; R668-D739 WeakPolarHBondContact CD-OD1 3.32Å; R668-D739 IonicContact CZ-OD1 3.11Å; R668-D739 IonicContact NE-OD1 3.4Å; R668-D739 PolarHBondContact NE-OD1 3.47Å; R668-D739 IonicContact NH1-OD1 2.7Å; R668-D739 PolarHBondContact NH1-OD1 2.87Å; R668-D739 IonicContact NH2-OD1 3.92Å
669N84.8Confident87.3Confident83 Ų8347.2 Ų47.244%0.44424%0.243SC..THydrogen-bonded Turntrans59.57.7-174.4-61.7-36.5000116.4R667 R709 F710 P711R667-N669 PolarHBondContact O-N 2.9Å; N669-R709 PolarHBondContact O-NH1 2.78Å; N669-F710 PolarHBondContact N-O 2.89Å; N669-P711 WeakPolarHBondContact OD1-CA 3.41Å
670G86.2Confident87Confident23 Ų2346.2 Ų46.224%0.23724%0.241CC..  trans-73.2150.3170.600000111.4R667 R668R667-G670 WeakPolarHBondContact O-CA 3.18Å; R667-G670 PolarHBondContact O-N 3.45Å; R668-G670 PolarHBondContact O-N 3.45Å; R668-G670 VanDerWaalsContact O-N 3.09Å
671E87.8Confident86.5Confident118 Ų11851.5 Ų51.555%0.55127%0.273SS*.EExtended strand (participates in β ladder)trans-75.1126.9174.6-68.8-175.1156.100110.3L707 R709E671-L707 HydrophobicContact CB-CD2 4.46Å; E671-L707 HydrophobicContact CB-CG 4.48Å; E671-L707 HydrophobicContact CG-CD2 4.25Å; E671-R709 VanDerWaalsContact CD-NH2 3.35Å; E671-R709 HydrophobicContact CG-CG 4.31Å; E671-R709 IonicContact OE1-CZ 3.51Å; E671-R709 IonicContact OE1-NE 3.25Å; E671-R709 IonicContact OE1-NH2 2.67Å; E671-R709 PolarHBondContact OE1-NH2 3.25Å
672V88.8Confident85.8Confident4 Ų452.5 Ų52.52%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-117.7122.4176.3177.10000107.8V663 A666 L674 L707 T708 F710V663-V672 HydrophobicContact CG2-CG1 3.84Å; V663-V672 HydrophobicContact CG2-CG2 4.38Å; A666-V672 HydrophobicContact CB-CG2 3.53Å; V672-L674 HydrophobicContact CG1-CD2 3.74Å; V672-L674 HydrophobicContact CG1-CG 4.22Å; V672-L707 WeakPolarHBondContact O-CA 3.39Å; V672-T708 HydrophobicContact CB-CG2 4.44Å; V672-T708 PolarHBondContact N-O 2.88Å; V672-T708 PolarHBondContact O-N 2.8Å; V672-F710 HydrophobicContact CB-CE2 4.1Å; V672-F710 HydrophobicContact CG1-CE2 4.21Å; V672-F710 HydrophobicContact CG2-CD2 4.06Å; V672-F710 HydrophobicContact CG2-CE2 3.92Å
673N90.6Very high85.3Confident87 Ų8752.6 Ų52.647%0.46529%0.286SS..EExtended strand (participates in β ladder)trans-92.7111.8172.5-169.722.9000109.2L707N673-L707 HydrophobicContact CB-CD1 4.12Å
674L91.9Very high84.7Confident0 Ų055.8 Ų55.80%030%0.301CS..EExtended strand (participates in β ladder)trans-94.6131.7175-56.5172.6000108.1L660 A662 V672 W690 L692 S705 L706 T708 V718L660-L674 HydrophobicContact CD1-CB 4.44Å; A662-L674 HydrophobicContact CB-CD2 3.52Å; V672-L674 HydrophobicContact CG1-CD2 3.74Å; V672-L674 HydrophobicContact CG1-CG 4.22Å; L674-W690 HydrophobicContact CB-CE3 4.21Å; L674-W690 HydrophobicContact CB-CH2 4.07Å; L674-W690 HydrophobicContact CB-CZ3 3.57Å; L674-W690 HydrophobicContact CD1-CE3 4.23Å; L674-W690 HydrophobicContact CD1-CZ3 4.37Å; L674-L692 HydrophobicContact CD1-CD2 3.6Å; L674-S705 CarbonylContact O-C 3.58Å; L674-S705 WeakPolarHBondContact O-CA 3.46Å; L674-L706 HydrophobicContact CB-CB 4.5Å; L674-L706 HydrophobicContact CD1-CD2 4.48Å; L674-L706 PolarHBondContact N-O 2.72Å; L674-L706 PolarHBondContact O-N 2.93Å; L674-T708 HydrophobicContact CD1-CG2 3.71Å; L674-T708 HydrophobicContact CG-CG2 4.2Å; L674-V718 HydrophobicContact CD1-CG1 3.68Å; L674-V718 HydrophobicContact CD2-CG1 4.21Å
675T91.4Very high84.5Confident29 Ų2959.1 Ų59.118%0.17832%0.315CS..EExtended strand (participates in β ladder)trans-126.6134.1179.5-52.70000110.2E661 N704E661-T675 PolarHBondContact N-O 2.61Å; E661-T675 PolarHBondContact O-N 2.82Å; T675-N704 CarbonylContact C-O 3.58Å; T675-N704 WeakPolarHBondContact CA-O 3.39Å
676A91.6Very high84.6Confident1 Ų159.2 Ų59.21%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-108.2114.517800000109.3V658 F688 W690 N704 V720V658-A676 HydrophobicContact CG2-CB 3.95Å; A676-F688 HydrophobicContact CB-CD1 3.67Å; A676-F688 HydrophobicContact CB-CE1 3.58Å; A676-W690 HydrophobicContact CB-CH2 3.66Å; A676-W690 HydrophobicContact CB-CZ2 3.95Å; A676-N704 PolarHBondContact N-O 3.47Å; A676-N704 WeakPolarHBondContact O-CB 3.48Å; A676-V720 HydrophobicContact CB-CG1 4.1Å; A676-V720 HydrophobicContact CB-CG2 3.84Å
677V89.1Confident84.8Confident51 Ų5161.1 Ų61.131%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-98.2114.9177.9-176.50000108.1V658 H659 E661V658-V677 CarbonylContact C-O 3.48Å; V658-V677 WeakPolarHBondContact CA-O 3.46Å; H659-V677 HydrophobicContact CB-CB 4.49Å; H659-V677 PolarHBondContact N-O 2.78Å; H659-V677 PolarHBondContact O-N 3.46Å; E661-V677 HydrophobicContact CG-CG2 4.23Å
678V89.1Confident85.2Confident13 Ų1355.4 Ų55.48%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-99.7147.9-179.1-67.80000111.8L655 V658 P680 T681 A683 F688 A722L655-V678 HydrophobicContact CD2-CB 4.4Å; V658-V678 HydrophobicContact CB-CG1 4.09Å; V658-V678 HydrophobicContact CG2-CG1 3.81Å; V678-P680 CarbonylContact O-C 3.45Å; V678-T681 WeakPolarHBondContact O-CA 3.2Å; V678-T681 PolarHBondContact O-N 3.17Å; V678-A683 HydrophobicContact CG2-CB 4.21Å; V678-F688 HydrophobicContact CG1-CE1 3.63Å; V678-F688 HydrophobicContact CG1-CZ 4.02Å; V678-A722 HydrophobicContact CG1-CB 3.71Å
679L86Confident85.6Confident74 Ų7452.9 Ų52.939%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-112.6125.9172.3-69.5174.8000110.4Q656 E657 T681Q656-L679 HydrophobicContact CB-CB 4.46Å; Q656-L679 PolarHBondContact N-O 2.89Å; E657-L679 HydrophobicContact CB-CD1 4.39Å; E657-L679 PolarHBondContact O-N 3.13Å; L679-T681 HydrophobicContact CD2-CG2 4.34Å
680P82.9Confident86Confident26 Ų2649 Ų4917%0.16928%0.276CS..SBendcis-72.6149.7-0.731.3-35.4000112.7V678 T682 A683V678-P680 CarbonylContact O-C 3.45Å; P680-T682 PolarHBondContact O-N 3.33Å; P680-T682 VanDerWaalsContact O-N 3.12Å; P680-A683 WeakPolarHBondContact O-CB 3.5Å; P680-A683 PolarHBondContact O-N 3.39Å
681T78.4Confident86.3Confident110 Ų11051.5 Ų51.568%0.67528%0.279SS*.THydrogen-bonded Turntrans-67-13.3-179.752.40000113.6V678 L679 A683V678-T681 WeakPolarHBondContact O-CA 3.2Å; V678-T681 PolarHBondContact O-N 3.17Å; L679-T681 HydrophobicContact CD2-CG2 4.34Å; T681-A683 VanDerWaalsContact C-N 3.27Å
682T72Confident86.5Confident101 Ų10148 Ų4862%0.6226%0.263SS*.THydrogen-bonded Turntrans-83.41.7173.952.40000113.3P680 N684P680-T682 PolarHBondContact O-N 3.33Å; P680-T682 VanDerWaalsContact O-N 3.12Å; T682-N684 PolarHBondContact O-N 3.39Å
683A74.3Confident86.2Confident26 Ų2648.7 Ų48.722%0.21527%0.271CS..  trans-66.1102.4178.500000111.5L655 V678 P680 T681 T686L655-A683 HydrophobicContact CD2-CB 3.73Å; V678-A683 HydrophobicContact CG2-CB 4.21Å; P680-A683 WeakPolarHBondContact O-CB 3.5Å; P680-A683 PolarHBondContact O-N 3.39Å; T681-A683 VanDerWaalsContact C-N 3.27Å; A683-T686 PolarHBondContact O-OG1 2.92Å
684N71.4Confident85.6Confident128 Ų12852.4 Ų52.468%0.68429%0.291SS*.  trans-87.9159.3172.8-64.5-29.4000110.6T682 T686T682-N684 PolarHBondContact O-N 3.39Å; N684-T686 PolarHBondContact O-N 3.42Å
685L76.4Confident84.8Confident112 Ų11254.2 Ų54.259%0.58631%0.309SS*.SBendtrans62.236.3177.7-54.9167000114.2V629V629-L685 HydrophobicContact CG2-CD1 3.75Å
686T86.8Confident84.1Confident7 Ų758.4 Ų58.44%0.04334%0.337CS..  trans-89.4131.3175.2-53.30000110.3L655 A683 N684 F688 A722 S723L655-T686 HydrophobicContact CD1-CG2 4.1Å; A683-T686 PolarHBondContact O-OG1 2.92Å; N684-T686 PolarHBondContact O-N 3.42Å; T686-F688 HydrophobicContact CG2-CE1 4.11Å; T686-F688 HydrophobicContact CG2-CE2 4.14Å; T686-F688 HydrophobicContact CG2-CZ 3.86Å; T686-A722 HydrophobicContact CG2-CB 3.82Å; T686-S723 WeakPolarHBondContact CA-O 3.33Å
687V90.9Very high83.8Confident45 Ų4563.9 Ų63.927%0.27337%0.37SS..EExtended strand (participates in β ladder)trans-97.4129.9172.8-177.10000108.7Y689 L700 L702 A722 S723V687-Y689 HydrophobicContact CB-CE2 4.06Å; V687-Y689 HydrophobicContact CG1-CD2 4.35Å; V687-Y689 HydrophobicContact CG1-CE2 3.74Å; V687-L700 HydrophobicContact CG1-CD2 4.04Å; V687-L702 HydrophobicContact CG2-CD2 4.16Å; V687-A722 WeakPolarHBondContact O-CA 3.34Å; V687-S723 PolarHBondContact N-O 2.81Å; V687-S723 PolarHBondContact O-N 2.71Å
688F93.5Very high83.9Confident8 Ų863.4 Ų63.44%0.03537%0.368CS..EExtended strand (participates in β ladder)trans-106.4129.1178.5-60.7-85.7000110.9A676 V678 T686 W690 L700 T701 Q703 N704 V720 Q721 A722A676-F688 HydrophobicContact CB-CD1 3.67Å; A676-F688 HydrophobicContact CB-CE1 3.58Å; V678-F688 HydrophobicContact CG1-CE1 3.63Å; V678-F688 HydrophobicContact CG1-CZ 4.02Å; T686-F688 HydrophobicContact CG2-CE1 4.11Å; T686-F688 HydrophobicContact CG2-CE2 4.14Å; T686-F688 HydrophobicContact CG2-CZ 3.86Å; F688-W690 HydrophobicContact CB-CZ2 4.34Å; F688-L700 WeakPolarHBondContact O-CA 3.29Å; F688-T701 PolarHBondContact N-O 3.03Å; F688-T701 PolarHBondContact O-N 2.83Å; F688-Q703 WeakPolarHBondContact CD2-O 3.38Å; F688-N704 HydrophobicContact CE2-CB 4Å; F688-N704 HydrophobicContact CZ-CB 3.91Å; F688-V720 HydrophobicContact CB-CG2 4.37Å; F688-V720 HydrophobicContact CD1-CG2 4.11Å; F688-Q721 CarbonylContact C-O 3.58Å; F688-Q721 WeakPolarHBondContact CA-O 3.17Å; F688-A722 HydrophobicContact CD1-CB 3.85Å; F688-A722 HydrophobicContact CE1-CB 3.8Å
689Y94.1Very high84Confident65 Ų6568.1 Ų68.126%0.25539%0.388SS..EExtended strand (participates in β ladder)trans-109.3114.2177.7-56.6-108000107.7V687 P698 L700 V720 Q721V687-Y689 HydrophobicContact CB-CE2 4.06Å; V687-Y689 HydrophobicContact CG1-CD2 4.35Å; V687-Y689 HydrophobicContact CG1-CE2 3.74Å; Y689-P698 HydrophobicContact CD1-CG 4.19Å; Y689-L700 HydrophobicContact CD1-CD2 3.26Å; Y689-L700 HydrophobicContact CD2-CD2 4.46Å; Y689-L700 HydrophobicContact CE1-CD2 3.34Å; Y689-L700 HydrophobicContact CG-CD2 3.86Å; Y689-V720 WeakPolarHBondContact O-CA 3.44Å; Y689-Q721 WeakPolarHBondContact CD2-O 3.28Å; Y689-Q721 PolarHBondContact N-O 3.37Å; Y689-Q721 PolarHBondContact O-N 3.03Å
690W93.9Very high84.3Confident1 Ų170.1 Ų70.10%0.00440%0.398CS..EExtended strand (participates in β ladder)trans-108.2115.5-175.1-58.989.4000111.1L660 L674 A676 F688 P698 K699 T701 L706 V720L660-W690 HydrophobicContact CD1-CH2 4.32Å; L660-W690 HydrophobicContact CD1-CZ3 3.59Å; L674-W690 HydrophobicContact CB-CE3 4.21Å; L674-W690 HydrophobicContact CB-CH2 4.07Å; L674-W690 HydrophobicContact CB-CZ3 3.57Å; L674-W690 HydrophobicContact CD1-CE3 4.23Å; L674-W690 HydrophobicContact CD1-CZ3 4.37Å; A676-W690 HydrophobicContact CB-CH2 3.66Å; A676-W690 HydrophobicContact CB-CZ2 3.95Å; F688-W690 HydrophobicContact CB-CZ2 4.34Å; W690-P698 CarbonylContact O-C 3.57Å; W690-P698 VanDerWaalsContact O-CA 3.31Å; W690-P698 WeakPolarHBondContact O-CA 3.38Å; W690-K699 HydrophobicContact CB-CB 4.35Å; W690-K699 PolarHBondContact N-O 2.95Å; W690-K699 PolarHBondContact O-N 3.12Å; W690-T701 PolarHBondContact NE1-OG1 3.01Å; W690-L706 HydrophobicContact CB-CD2 3.59Å; W690-L706 HydrophobicContact CD2-CB 4Å; W690-L706 HydrophobicContact CD2-CD2 3.86Å; W690-L706 HydrophobicContact CE3-CB 4.42Å; W690-L706 HydrophobicContact CE3-CD2 4.34Å; W690-L706 HydrophobicContact CG-CB 4.35Å; W690-L706 HydrophobicContact CG-CD2 3.52Å; W690-L706 HydrophobicContact CZ2-CB 4.13Å; W690-V720 HydrophobicContact CD2-CB 4.31Å; W690-V720 HydrophobicContact CD2-CG2 3.78Å; W690-V720 HydrophobicContact CE3-CB 3.76Å; W690-V720 HydrophobicContact CE3-CG2 3.7Å; W690-V720 HydrophobicContact CH2-CB 4.34Å; W690-V720 HydrophobicContact CH2-CG2 3.88Å; W690-V720 HydrophobicContact CZ2-CG2 3.93Å; W690-V720 HydrophobicContact CZ3-CB 3.78Å; W690-V720 HydrophobicContact CZ3-CG1 4.49Å; W690-V720 HydrophobicContact CZ3-CG2 3.75Å
691W92.6Very high84.7Confident76 Ų7670.1 Ų70.129%0.28840%0.398SS..EExtended strand (participates in β ladder)trans-99.2116.2173.5-56.286.8000108.9G695 P696 P698 V718 T719W691-G695 WeakPolarHBondContact CZ3-O 3.39Å; W691-P696 VanDerWaalsContact CZ3-C 3.49Å; W691-P696 WeakPolarHBondContact CZ3-O 3.39Å; W691-P698 HydrophobicContact CD2-CB 3.85Å; W691-P698 HydrophobicContact CE3-CB 4.31Å; W691-P698 HydrophobicContact CG-CB 4.29Å; W691-P698 HydrophobicContact CH2-CB 4.37Å; W691-P698 HydrophobicContact CH2-CG 4Å; W691-P698 HydrophobicContact CZ2-CB 3.89Å; W691-P698 HydrophobicContact CZ2-CG 3.64Å; W691-V718 WeakPolarHBondContact O-CA 3.01Å; W691-T719 PolarHBondContact N-O 3.31Å; W691-T719 PolarHBondContact O-N 2.92Å
692L90.5Very high85.2Confident45 Ų4571.8 Ų71.824%0.23640%0.402CS..EExtended strand (participates in β ladder)trans-108.580.2-177.4-57.2176000108.7L674 K699 L706 T708 V718L674-L692 HydrophobicContact CD1-CD2 3.6Å; L692-K699 HydrophobicContact CD1-CD 3.99Å; L692-L706 HydrophobicContact CD1-CD2 4.32Å; L692-L706 HydrophobicContact CD2-CD2 4.4Å; L692-T708 HydrophobicContact CD1-CG2 4.34Å; L692-T708 VanDerWaalsContact CD1-OG1 3.29Å; L692-T708 WeakPolarHBondContact CD1-OG1 3.39Å; L692-T708 HydrophobicContact CD2-CG2 4.17Å; L692-V718 HydrophobicContact CD2-CG1 4.12Å
693G83.9Confident86Confident18 Ų1873.5 Ų73.519%0.18640%0.403CS..SBendtrans87.2-159.5-171.100000113.3G695 S717G693-G695 PolarHBondContact O-N 3.32Å; G693-S717 WeakPolarHBondContact CA-O 3.49Å; G693-S717 PolarHBondContact N-O 2.83Å
694D76.4Confident86.7Confident165 Ų16576.2 Ų76.288%0.88241%0.414SS*.SBendtrans-85.917.5-172.5-56.4-35.6000114.1
695G75.3Confident87.6Confident37 Ų3771.9 Ų71.938%0.38139%0.393SS..  trans-66.3145.817900000112.1W691 G693 T697W691-G695 WeakPolarHBondContact CZ3-O 3.39Å; G693-G695 PolarHBondContact O-N 3.32Å; G695-T697 VanDerWaalsContact C-N 3.26Å; G695-T697 PolarHBondContact O-N 3.02Å
696P76.3Confident88.4Confident118 Ų11867.6 Ų67.677%0.76637%0.371SS*.SBendtrans-76-8.5-174.730.7-36.2000114.2W691W691-P696 VanDerWaalsContact CZ3-C 3.49Å; W691-P696 WeakPolarHBondContact CZ3-O 3.39Å
697T85.7Confident88.6Confident115 Ų11572.1 Ų72.171%0.70639%0.394SS*.SBendtrans-125.5128.1-175.3520000112.5G695G695-T697 VanDerWaalsContact C-N 3.26Å; G695-T697 PolarHBondContact O-N 3.02Å
698P92.4Very high88.6Confident41 Ų4170.5 Ų70.527%0.26639%0.385SS..PPolyproline II helixtrans-80152.6174.830.9-29.2000110.9Y689 W690 W691Y689-P698 HydrophobicContact CD1-CG 4.19Å; W690-P698 CarbonylContact O-C 3.57Å; W690-P698 VanDerWaalsContact O-CA 3.31Å; W690-P698 WeakPolarHBondContact O-CA 3.38Å; W691-P698 HydrophobicContact CD2-CB 3.85Å; W691-P698 HydrophobicContact CE3-CB 4.31Å; W691-P698 HydrophobicContact CG-CB 4.29Å; W691-P698 HydrophobicContact CH2-CB 4.37Å; W691-P698 HydrophobicContact CH2-CG 4Å; W691-P698 HydrophobicContact CZ2-CB 3.89Å; W691-P698 HydrophobicContact CZ2-CG 3.64Å
699K90.9Very high88.5Confident113 Ų11376.7 Ų76.749%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-84.5134.9164.5-63.9-172.9-179.4178.70109.5W690 L692W690-K699 HydrophobicContact CB-CB 4.35Å; W690-K699 PolarHBondContact N-O 2.95Å; W690-K699 PolarHBondContact O-N 3.12Å; L692-K699 HydrophobicContact CD1-CD 3.99Å
700L92.4Very high88.3Confident115 Ų11574.1 Ų74.160%0.60240%0.398SS*.EExtended strand (participates in β ladder)trans-99.9130.6-178.8-68165.4000110.8V687 F688 Y689V687-L700 HydrophobicContact CG1-CD2 4.04Å; F688-L700 WeakPolarHBondContact O-CA 3.29Å; Y689-L700 HydrophobicContact CD1-CD2 3.26Å; Y689-L700 HydrophobicContact CD2-CD2 4.46Å; Y689-L700 HydrophobicContact CE1-CD2 3.34Å; Y689-L700 HydrophobicContact CG-CD2 3.86Å
701T91.8Very high87.9Confident27 Ų2778.4 Ų78.417%0.16643%0.426CS..EExtended strand (participates in β ladder)trans-134.4149.3171.169.60000111.6F688 W690 Q703 L706F688-T701 PolarHBondContact N-O 3.03Å; F688-T701 PolarHBondContact O-N 2.83Å; W690-T701 PolarHBondContact NE1-OG1 3.01Å; T701-Q703 PolarHBondContact OG1-O 3.48Å; T701-L706 HydrophobicContact CG2-CD1 4.05Å
702L88.8Confident87.5Confident144 Ų14482.2 Ų82.275%0.75445%0.447SS*.SBendtrans-92-22.3167.6-63.3175.7000111.9V687V687-L702 HydrophobicContact CG2-CD2 4.16Å
703Q88.4Confident87.2Confident138 Ų13883.1 Ų83.165%0.64546%0.457SS*.SBendtrans-81147.4172.6-67.2178.9-1100109.6F688 T701 S705F688-Q703 WeakPolarHBondContact CD2-O 3.38Å; T701-Q703 PolarHBondContact OG1-O 3.48Å; Q703-S705 PolarHBondContact O-N 2.83Å
704N88.1Confident87.3Confident83 Ų8384.1 Ų84.144%0.44447%0.468SS..SBendtrans-74.2-1177.668.9-21.7000113.4T675 A676 F688T675-N704 CarbonylContact C-O 3.58Å; T675-N704 WeakPolarHBondContact CA-O 3.39Å; A676-N704 PolarHBondContact N-O 3.47Å; A676-N704 WeakPolarHBondContact O-CB 3.48Å; F688-N704 HydrophobicContact CE2-CB 4Å; F688-N704 HydrophobicContact CZ-CB 3.91Å
705S90.5Very high87.9Confident36 Ų3682.2 Ų82.225%0.25245%0.454SS..EExtended strand (participates in β ladder)trans-124.1143.3178620000112.5L674 Q703L674-S705 CarbonylContact O-C 3.58Å; L674-S705 WeakPolarHBondContact O-CA 3.46Å; Q703-S705 PolarHBondContact O-N 2.83Å
706L92.7Very high88.5Confident22 Ų2281.8 Ų81.812%0.11544%0.443CS..EExtended strand (participates in β ladder)trans-128.9121174.6175.665.5000110.2L674 W690 L692 T701L674-L706 HydrophobicContact CB-CB 4.5Å; L674-L706 HydrophobicContact CD1-CD2 4.48Å; L674-L706 PolarHBondContact N-O 2.72Å; L674-L706 PolarHBondContact O-N 2.93Å; W690-L706 HydrophobicContact CB-CD2 3.59Å; W690-L706 HydrophobicContact CD2-CB 4Å; W690-L706 HydrophobicContact CD2-CD2 3.86Å; W690-L706 HydrophobicContact CE3-CB 4.42Å; W690-L706 HydrophobicContact CE3-CD2 4.34Å; W690-L706 HydrophobicContact CG-CB 4.35Å; W690-L706 HydrophobicContact CG-CD2 3.52Å; W690-L706 HydrophobicContact CZ2-CB 4.13Å; L692-L706 HydrophobicContact CD1-CD2 4.32Å; L692-L706 HydrophobicContact CD2-CD2 4.4Å; T701-L706 HydrophobicContact CG2-CD1 4.05Å
707L92.1Very high89.3Confident102 Ų10278 Ų7853%0.53442%0.419SS..EExtended strand (participates in β ladder)trans-85.6122.6169.7-155.989.4000109.6E671 V672 N673E671-L707 HydrophobicContact CB-CD2 4.46Å; E671-L707 HydrophobicContact CB-CG 4.48Å; E671-L707 HydrophobicContact CG-CD2 4.25Å; V672-L707 WeakPolarHBondContact O-CA 3.39Å; N673-L707 HydrophobicContact CB-CD1 4.12Å
708T91.3Very high89.6Confident12 Ų1272.5 Ų72.57%0.07439%0.386CS..EExtended strand (participates in β ladder)trans-140.2170.4-178.9-164.30000112.7V672 L674 L692 F710V672-T708 HydrophobicContact CB-CG2 4.44Å; V672-T708 PolarHBondContact N-O 2.88Å; V672-T708 PolarHBondContact O-N 2.8Å; L674-T708 HydrophobicContact CD1-CG2 3.71Å; L674-T708 HydrophobicContact CG-CG2 4.2Å; L692-T708 HydrophobicContact CD1-CG2 4.34Å; L692-T708 VanDerWaalsContact CD1-OG1 3.29Å; L692-T708 WeakPolarHBondContact CD1-OG1 3.39Å; L692-T708 HydrophobicContact CD2-CG2 4.17Å; T708-F710 HydrophobicContact CG2-CE1 4.49Å; T708-F710 HydrophobicContact CG2-CE2 4.26Å; T708-F710 HydrophobicContact CG2-CZ 3.98Å
709R90.8Very high89.7Confident138 Ų13871.6 Ų71.652%0.52138%0.379SS..EExtended strand (participates in β ladder)trans-135.7140.8178-60.6177.4-178.3-123.78.2109.5N669 E671N669-R709 PolarHBondContact O-NH1 2.78Å; E671-R709 VanDerWaalsContact CD-NH2 3.35Å; E671-R709 HydrophobicContact CG-CG 4.31Å; E671-R709 IonicContact OE1-CZ 3.51Å; E671-R709 IonicContact OE1-NE 3.25Å; E671-R709 IonicContact OE1-NH2 2.67Å; E671-R709 PolarHBondContact OE1-NH2 3.25Å
710F89.6Confident89.8Confident10 Ų1066.2 Ų66.24%0.04436%0.356CS..  trans-104.3117.2177.6-60.1-70.9000110.5A666 N669 V672 T708 V716 V718 V735 V737A666-F710 HydrophobicContact CB-CD2 4.23Å; N669-F710 PolarHBondContact N-O 2.89Å; V672-F710 HydrophobicContact CB-CE2 4.1Å; V672-F710 HydrophobicContact CG1-CE2 4.21Å; V672-F710 HydrophobicContact CG2-CD2 4.06Å; V672-F710 HydrophobicContact CG2-CE2 3.92Å; T708-F710 HydrophobicContact CG2-CE1 4.49Å; T708-F710 HydrophobicContact CG2-CE2 4.26Å; T708-F710 HydrophobicContact CG2-CZ 3.98Å; F710-V716 HydrophobicContact CD1-CB 4.26Å; F710-V716 HydrophobicContact CD1-CG1 3.9Å; F710-V716 HydrophobicContact CD1-CG2 4.11Å; F710-V716 HydrophobicContact CE1-CB 4.24Å; F710-V716 HydrophobicContact CE1-CG1 3.65Å; F710-V718 HydrophobicContact CE1-CG2 4.23Å; F710-V718 HydrophobicContact CZ-CG2 3.83Å; F710-V735 HydrophobicContact CD2-CG1 4.48Å; F710-V735 HydrophobicContact CE2-CB 4.48Å; F710-V735 HydrophobicContact CE2-CG1 4.03Å; F710-V737 HydrophobicContact CB-CB 4.49Å; F710-V737 HydrophobicContact CB-CG1 4.05Å; F710-V737 HydrophobicContact CB-CG2 3.67Å; F710-V737 HydrophobicContact CD2-CG2 3.98Å; F710-V737 HydrophobicContact CG-CG2 3.88Å
711P84.9Confident89.9Confident92 Ų9262.4 Ų62.460%0.59734%0.335SS*.  trans-79-26.1-174.529.9-33.8000113.7R668 N669R668-P711 VanDerWaalsContact CD-O 3.24Å; R668-P711 WeakPolarHBondContact CD-O 3.27Å; R668-P711 VanDerWaalsContact CG-O 3.25Å; R668-P711 WeakPolarHBondContact CG-O 3.31Å; N669-P711 WeakPolarHBondContact OD1-CA 3.41Å
712E84.7Confident90Very high156 Ų15661.1 Ų61.173%0.72933%0.327SS*.SBendtrans-109.6147.7-177.3-62.9-172.7173.400111.2V737E712-V737 WeakPolarHBondContact O-CB 3.46Å; E712-V737 VanDerWaalsContact O-CG1 3.29Å; E712-V737 WeakPolarHBondContact O-CG1 3.37Å
713S85.1Confident90.1Very high63 Ų6355.1 Ų55.144%0.44130%0.297SS..  trans-85144.3171.846.30000110.4V737S713-V737 CarbonylContact C-O 3.54Å; S713-V737 VanDerWaalsContact CA-O 3.28Å; S713-V737 WeakPolarHBondContact CA-O 3.43Å; S713-V737 WeakPolarHBondContact CB-O 3.31Å
714G85.8Confident90Very high40 Ų4048.8 Ų48.841%0.41227%0.268SS..EExtended strand (participates in β ladder)trans140.2-171.5-172.900000112.8V737G714-V737 PolarHBondContact N-O 3.28Å; G714-V737 PolarHBondContact O-N 2.79Å
715E87.8Confident89.6Confident125 Ų12547.2 Ų47.258%0.58427%0.272SS*.EExtended strand (participates in β ladder)trans-90.8123.2174.2-60-161143.800109.5I734 R736E715-I734 HydrophobicContact CB-CG2 3.83Å; E715-I734 HydrophobicContact CG-CG2 4.35Å; E715-R736 HydrophobicContact CG-CG 4.21Å; E715-R736 IonicContact OE1-CZ 3.55Å; E715-R736 IonicContact OE1-NE 2.78Å; E715-R736 PolarHBondContact OE1-NE 3.32Å; E715-R736 IonicContact OE1-NH2 3.17Å
716V89.6Confident89.1Confident27 Ų2750 Ų5016%0.16428%0.277CS..EExtended strand (participates in β ladder)trans-113.3120.7178.5-176.50000109.1F710 V718 I734 V735 V737F710-V716 HydrophobicContact CD1-CB 4.26Å; F710-V716 HydrophobicContact CD1-CG1 3.9Å; F710-V716 HydrophobicContact CD1-CG2 4.11Å; F710-V716 HydrophobicContact CE1-CB 4.24Å; F710-V716 HydrophobicContact CE1-CG1 3.65Å; V716-V718 HydrophobicContact CG1-CG2 4.47Å; V716-I734 WeakPolarHBondContact O-CA 3.29Å; V716-V735 PolarHBondContact N-O 2.97Å; V716-V735 PolarHBondContact O-N 2.95Å; V716-V737 HydrophobicContact CG2-CG2 3.93Å
717S91.3Very high88.7Confident38 Ų3850.1 Ų50.127%0.26628%0.279SS..EExtended strand (participates in β ladder)trans-71.7122.4169.1170.10000109.8G693G693-S717 WeakPolarHBondContact CA-O 3.49Å; G693-S717 PolarHBondContact N-O 2.83Å
718V93.2Very high88.6Confident0 Ų050 Ų500%028%0.278CS..EExtended strand (participates in β ladder)trans-113.5116.7173.3-179.30000107.6L660 L674 W691 L692 F710 V716 T732 K733 V735L660-V718 HydrophobicContact CD2-CB 4.07Å; L660-V718 HydrophobicContact CD2-CG1 3.74Å; L660-V718 WeakPolarHBondContact CD2-O 3.4Å; L674-V718 HydrophobicContact CD1-CG1 3.68Å; L674-V718 HydrophobicContact CD2-CG1 4.21Å; W691-V718 WeakPolarHBondContact O-CA 3.01Å; L692-V718 HydrophobicContact CD2-CG1 4.12Å; F710-V718 HydrophobicContact CE1-CG2 4.23Å; F710-V718 HydrophobicContact CZ-CG2 3.83Å; V716-V718 HydrophobicContact CG1-CG2 4.47Å; V718-T732 CarbonylContact O-C 3.45Å; V718-T732 WeakPolarHBondContact O-CA 3.49Å; V718-K733 PolarHBondContact N-O 3.43Å; V718-K733 PolarHBondContact O-N 2.95Å; V718-V735 HydrophobicContact CG2-CB 4.48Å; V718-V735 HydrophobicContact CG2-CG2 3.85Å
719T93.1Very high88.7Confident22 Ų2250.5 Ų50.514%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-113.2132175.5-56.30000109.6W691 D731 T732W691-T719 PolarHBondContact N-O 3.31Å; W691-T719 PolarHBondContact O-N 2.92Å; T719-D731 CarbonylContact C-O 3.56Å; T719-D731 WeakPolarHBondContact CA-O 3.38Å; T719-T732 VanDerWaalsContact CG2-OG1 3.29Å; T719-T732 WeakPolarHBondContact CG2-OG1 3.41Å; T719-T732 VanDerWaalsContact OG1-CG2 3.28Å; T719-T732 WeakPolarHBondContact OG1-CG2 3.17Å; T719-T732 PolarHBondContact OG1-OG1 3.47Å
720V94.4Very high88.9Confident0 Ų050.1 Ų50.10%029%0.285CS..EExtended strand (participates in β ladder)trans-113.7132.7167.869.40000109.4V658 L660 A676 F688 Y689 W690 Q730 D731V658-V720 HydrophobicContact CG2-CG1 3.98Å; L660-V720 HydrophobicContact CB-CG1 3.89Å; L660-V720 HydrophobicContact CD1-CB 4.4Å; L660-V720 HydrophobicContact CD1-CG1 4.05Å; L660-V720 HydrophobicContact CD2-CG1 4.5Å; L660-V720 HydrophobicContact CG-CG1 4.36Å; A676-V720 HydrophobicContact CB-CG1 4.1Å; A676-V720 HydrophobicContact CB-CG2 3.84Å; F688-V720 HydrophobicContact CB-CG2 4.37Å; F688-V720 HydrophobicContact CD1-CG2 4.11Å; Y689-V720 WeakPolarHBondContact O-CA 3.44Å; W690-V720 HydrophobicContact CD2-CB 4.31Å; W690-V720 HydrophobicContact CD2-CG2 3.78Å; W690-V720 HydrophobicContact CE3-CB 3.76Å; W690-V720 HydrophobicContact CE3-CG2 3.7Å; W690-V720 HydrophobicContact CH2-CB 4.34Å; W690-V720 HydrophobicContact CH2-CG2 3.88Å; W690-V720 HydrophobicContact CZ2-CG2 3.93Å; W690-V720 HydrophobicContact CZ3-CB 3.78Å; W690-V720 HydrophobicContact CZ3-CG1 4.49Å; W690-V720 HydrophobicContact CZ3-CG2 3.75Å; V720-Q730 CarbonylContact O-C 3.6Å; V720-Q730 VanDerWaalsContact O-CA 3.27Å; V720-Q730 WeakPolarHBondContact O-CA 3.28Å; V720-D731 PolarHBondContact N-O 2.77Å; V720-D731 PolarHBondContact O-N 3.24Å
721Q94.2Very high89Confident35 Ų3551.6 Ų51.616%0.16429%0.293CS..EExtended strand (participates in β ladder)trans-118.6130.4171.7174.5-179.379.800108.2F688 Y689 M728 V729 Q730F688-Q721 CarbonylContact C-O 3.58Å; F688-Q721 WeakPolarHBondContact CA-O 3.17Å; Y689-Q721 WeakPolarHBondContact CD2-O 3.28Å; Y689-Q721 PolarHBondContact N-O 3.37Å; Y689-Q721 PolarHBondContact O-N 3.03Å; Q721-M728 HydrophobicContact CG-CE 4.41Å; Q721-M728 HydrophobicContact CG-CG 3.5Å; Q721-M728 HydrophobicContact CG-SD 3.9Å; Q721-M728 PolarHBondContact NE2-SD 2.81Å; Q721-M728 PolarHBondContact OE1-SD 2.75Å; Q721-V729 CarbonylContact C-O 3.38Å; Q721-V729 VanDerWaalsContact CA-O 3.32Å; Q721-V729 WeakPolarHBondContact CA-O 3.44Å; Q721-Q730 HydrophobicContact CB-CB 4.04Å; Q721-Q730 HydrophobicContact CG-CB 4.28Å
722A93.6Very high89.4Confident0 Ų050.5 Ų50.50%029%0.285CS..EExtended strand (participates in β ladder)trans-112.9130.5179.500000109.2L655 V658 V678 T686 V687 F688 M728 V729L655-A722 HydrophobicContact CD1-CB 4.07Å; L655-A722 WeakPolarHBondContact CD1-O 3.36Å; V658-A722 HydrophobicContact CB-CB 4.19Å; V658-A722 HydrophobicContact CG2-CB 4.15Å; V678-A722 HydrophobicContact CG1-CB 3.71Å; T686-A722 HydrophobicContact CG2-CB 3.82Å; V687-A722 WeakPolarHBondContact O-CA 3.34Å; F688-A722 HydrophobicContact CD1-CB 3.85Å; F688-A722 HydrophobicContact CE1-CB 3.8Å; A722-M728 WeakPolarHBondContact O-CA 3.01Å; A722-V729 HydrophobicContact CB-CG2 4.11Å; A722-V729 PolarHBondContact N-O 2.85Å; A722-V729 PolarHBondContact O-N 2.81Å
723S91.1Very high89.6Confident18 Ų1846.1 Ų46.113%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-132.7136.3177.3179.60000110.7T686 V687 G725 S727T686-S723 WeakPolarHBondContact CA-O 3.33Å; V687-S723 PolarHBondContact N-O 2.81Å; V687-S723 PolarHBondContact O-N 2.71Å; S723-G725 PolarHBondContact OG-N 2.78Å; S723-S727 WeakPolarHBondContact CA-O 3.36Å
724N86.4Confident89.8Confident5 Ų547.5 Ų47.53%0.02727%0.265CS..  trans-115.421.5174.671.2-10.8000112.5T652 E653 L655 R726 S727T652-N724 PolarHBondContact OG1-O 3.25Å; E653-N724 PolarHBondContact O-ND2 2.86Å; L655-N724 HydrophobicContact CD1-CB 4.14Å; L655-N724 HydrophobicContact CD2-CB 4.5Å; L655-N724 HydrophobicContact CG-CB 4.18Å; N724-R726 PolarHBondContact O-N 2.96Å; N724-R726 PolarHBondContact OD1-N 2.79Å; N724-S727 PolarHBondContact N-O 2.85Å; N724-S727 PolarHBondContact OD1-N 3.25Å; N724-S727 VanDerWaalsContact OD1-N 3.17Å; N724-S727 PolarHBondContact OD1-O 3.48Å; N724-S727 PolarHBondContact OD1-OG 2.73Å; N724-S727 VanDerWaalsContact OD1-OG 3.13Å
725G78.8Confident89.9Confident51 Ų5145.6 Ų45.653%0.52625%0.245SC..SBendtrans83.7-32.3-177.200000114.5S723S723-G725 PolarHBondContact OG-N 2.78Å
726R81.1Confident90Very high93 Ų9344.4 Ų44.435%0.35124%0.235SC..SBendtrans-90.5-35.1-179.6178.460.1-175.194.3-6.3113.7A575 N724A575-R726 HydrophobicContact CB-CB 4.28Å; A575-R726 WeakPolarHBondContact O-CD 3.45Å; N724-R726 PolarHBondContact O-N 2.96Å; N724-R726 PolarHBondContact OD1-N 2.79Å
727S85Confident89.9Confident25 Ų2543.3 Ų43.318%0.17523%0.229CC..  trans-149.1157.8-173.455.50000110.1P654 L655 S723 N724P654-S727 WeakPolarHBondContact CA-OG 3.41Å; L655-S727 PolarHBondContact N-OG 3.19Å; S723-S727 WeakPolarHBondContact CA-O 3.36Å; N724-S727 PolarHBondContact N-O 2.85Å; N724-S727 PolarHBondContact OD1-N 3.25Å; N724-S727 VanDerWaalsContact OD1-N 3.17Å; N724-S727 PolarHBondContact OD1-O 3.48Å; N724-S727 PolarHBondContact OD1-OG 2.73Å; N724-S727 VanDerWaalsContact OD1-OG 3.13Å
728M89.7Confident89.5Confident101 Ų10144.8 Ų44.850%0.49823%0.229SC..EExtended strand (participates in β ladder)trans-136.5127.1-178-179178.4-85.300109.1Q721 A722Q721-M728 HydrophobicContact CG-CE 4.41Å; Q721-M728 HydrophobicContact CG-CG 3.5Å; Q721-M728 HydrophobicContact CG-SD 3.9Å; Q721-M728 PolarHBondContact NE2-SD 2.81Å; Q721-M728 PolarHBondContact OE1-SD 2.75Å; A722-M728 WeakPolarHBondContact O-CA 3.01Å
729V92.2Very high88.8Confident22 Ų2248.9 Ų48.913%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-126.5151.5179.7-67.40000109.1L655 V658 Q721 A722L655-V729 HydrophobicContact CB-CG1 4.08Å; L655-V729 HydrophobicContact CB-CG2 3.81Å; L655-V729 HydrophobicContact CD1-CG2 4.03Å; V658-V729 HydrophobicContact CB-CG2 3.8Å; V658-V729 HydrophobicContact CG1-CB 4.17Å; V658-V729 HydrophobicContact CG1-CG2 3.79Å; Q721-V729 CarbonylContact C-O 3.38Å; Q721-V729 VanDerWaalsContact CA-O 3.32Å; Q721-V729 WeakPolarHBondContact CA-O 3.44Å; A722-V729 HydrophobicContact CB-CG2 4.11Å; A722-V729 PolarHBondContact N-O 2.85Å; A722-V729 PolarHBondContact O-N 2.81Å
730Q94.5Very high88.1Confident130 Ų13053 Ų5361%0.60727%0.272SS*.EExtended strand (participates in β ladder)trans-143.1150-177.268.5-175.86.900112V720 Q721V720-Q730 CarbonylContact O-C 3.6Å; V720-Q730 VanDerWaalsContact O-CA 3.27Å; V720-Q730 WeakPolarHBondContact O-CA 3.28Å; Q721-Q730 HydrophobicContact CB-CB 4.04Å; Q721-Q730 HydrophobicContact CG-CB 4.28Å
731D93.1Very high87.6Confident40 Ų4053.7 Ų53.721%0.21428%0.275CS..EExtended strand (participates in β ladder)trans-142.9147.6173.6-175.627.4000110.6V658 H659 L660 T719 V720V658-D731 HydrophobicContact CG1-CB 4.12Å; V658-D731 WeakPolarHBondContact O-CB 3.4Å; H659-D731 IonicContact ND1-OD2 2.72Å; L660-D731 HydrophobicContact CB-CB 4.38Å; L660-D731 WeakPolarHBondContact CB-OD2 3.5Å; L660-D731 PolarHBondContact N-OD2 3.24Å; T719-D731 CarbonylContact C-O 3.56Å; T719-D731 WeakPolarHBondContact CA-O 3.38Å; V720-D731 PolarHBondContact N-O 2.77Å; V720-D731 PolarHBondContact O-N 3.24Å
732T92.3Very high87Confident70 Ų7055.7 Ų55.743%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-131.9130.9-174.4-58.30000110.5V718 T719V718-T732 CarbonylContact O-C 3.45Å; V718-T732 WeakPolarHBondContact O-CA 3.49Å; T719-T732 VanDerWaalsContact CG2-OG1 3.29Å; T719-T732 WeakPolarHBondContact CG2-OG1 3.41Å; T719-T732 VanDerWaalsContact OG1-CG2 3.28Å; T719-T732 WeakPolarHBondContact OG1-CG2 3.17Å; T719-T732 PolarHBondContact OG1-OG1 3.47Å
733K89.6Confident86.7Confident63 Ų6359.7 Ų59.727%0.27431%0.305SS..EExtended strand (participates in β ladder)trans-129.9151.1172.1-71.5-165.4179.6170.20112H659 L660 V718H659-K733 PolarHBondContact CE1-NZ 3.02Å; H659-K733 PolarHBondContact NE2-NZ 3.48Å; L660-K733 HydrophobicContact CB-CG 4.4Å; L660-K733 HydrophobicContact CD2-CB 3.97Å; L660-K733 HydrophobicContact CD2-CG 4.33Å; L660-K733 HydrophobicContact CG-CB 4.47Å; L660-K733 HydrophobicContact CG-CG 4.46Å; L660-K733 WeakPolarHBondContact O-CD 3.16Å; L660-K733 WeakPolarHBondContact O-CE 3.49Å; L660-K733 PolarHBondContact O-NZ 3.41Å; V718-K733 PolarHBondContact N-O 3.43Å; V718-K733 PolarHBondContact O-N 2.95Å
734I89Confident86.5Confident92 Ų9259.3 Ų59.347%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-97124176.1-60173.7000108.9E715 V716E715-I734 HydrophobicContact CB-CG2 3.83Å; E715-I734 HydrophobicContact CG-CG2 4.35Å; V716-I734 WeakPolarHBondContact O-CA 3.29Å
735V89Confident86.6Confident1 Ų161.7 Ų61.71%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-104.4124.8173.6179.70000108.8A662 A666 F710 V716 V718 V737A662-V735 HydrophobicContact CB-CG2 4.18Å; A666-V735 HydrophobicContact CB-CG1 3.8Å; F710-V735 HydrophobicContact CD2-CG1 4.48Å; F710-V735 HydrophobicContact CE2-CB 4.48Å; F710-V735 HydrophobicContact CE2-CG1 4.03Å; V716-V735 PolarHBondContact N-O 2.97Å; V716-V735 PolarHBondContact O-N 2.95Å; V718-V735 HydrophobicContact CG2-CB 4.48Å; V718-V735 HydrophobicContact CG2-CG2 3.85Å; V735-V737 HydrophobicContact CG1-CG2 4.49Å
736R88.1Confident87.2Confident99 Ų9959.3 Ų59.337%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-92.1120.6177.4-57.1-166.9179.588.82.8110.8P664 I665 A666 E715 Y738P664-R736 PolarHBondContact O-N 3.03Å; I665-R736 CarbonylContact C-O 3.6Å; I665-R736 WeakPolarHBondContact CA-O 3.26Å; A666-R736 PolarHBondContact N-O 3.33Å; E715-R736 HydrophobicContact CG-CG 4.21Å; E715-R736 IonicContact OE1-CZ 3.55Å; E715-R736 IonicContact OE1-NE 2.78Å; E715-R736 PolarHBondContact OE1-NE 3.32Å; E715-R736 IonicContact OE1-NH2 3.17Å; R736-Y738 HydrophobicContact CB-CD2 4.32Å; R736-Y738 HydrophobicContact CB-CE2 3.66Å
737V87.8Confident87.6Confident4 Ų456.2 Ų56.22%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-104.4118.2-175.5-170.90000110A666 R668 F710 E712 S713 G714 V716 V735A666-V737 HydrophobicContact CB-CG2 4.42Å; A666-V737 WeakPolarHBondContact O-CA 3.49Å; R668-V737 HydrophobicContact CB-CG1 4.24Å; F710-V737 HydrophobicContact CB-CB 4.49Å; F710-V737 HydrophobicContact CB-CG1 4.05Å; F710-V737 HydrophobicContact CB-CG2 3.67Å; F710-V737 HydrophobicContact CD2-CG2 3.98Å; F710-V737 HydrophobicContact CG-CG2 3.88Å; E712-V737 WeakPolarHBondContact O-CB 3.46Å; E712-V737 VanDerWaalsContact O-CG1 3.29Å; E712-V737 WeakPolarHBondContact O-CG1 3.37Å; S713-V737 CarbonylContact C-O 3.54Å; S713-V737 VanDerWaalsContact CA-O 3.28Å; S713-V737 WeakPolarHBondContact CA-O 3.43Å; S713-V737 WeakPolarHBondContact CB-O 3.31Å; G714-V737 PolarHBondContact N-O 3.28Å; G714-V737 PolarHBondContact O-N 2.79Å; V716-V737 HydrophobicContact CG2-CG2 3.93Å; V735-V737 HydrophobicContact CG1-CG2 4.49Å
738Y84.1Confident87.8Confident70 Ų7055.6 Ų55.628%0.27528%0.279SS..EExtended strand (participates in β ladder)trans-115.6151179.5-68.7-91000111.8I665 A666 R667 R668 R736 L802I665-Y738 HydrophobicContact CG2-CD2 3.98Å; I665-Y738 HydrophobicContact CG2-CE2 4.47Å; A666-Y738 PolarHBondContact O-N 2.87Å; R667-Y738 WeakPolarHBondContact CA-O 3.48Å; R668-Y738 PolarHBondContact N-O 3.48Å; R736-Y738 HydrophobicContact CB-CD2 4.32Å; R736-Y738 HydrophobicContact CB-CE2 3.66Å; Y738-L802 HydrophobicContact CD1-CD2 4.44Å; Y738-L802 HydrophobicContact CD2-CD2 3.88Å; Y738-L802 HydrophobicContact CE1-CD2 4.39Å; Y738-L802 HydrophobicContact CE2-CD1 4.09Å; Y738-L802 HydrophobicContact CE2-CD2 3.8Å; Y738-L802 HydrophobicContact CG-CD2 4.2Å
739D78.6Confident87.7Confident85 Ų8551.6 Ų51.646%0.45526%0.261SS..SBendtrans-70.3-43.7175.8-72.5-58.3000112.4R668R668-D739 WeakPolarHBondContact CD-OD1 3.32Å; R668-D739 IonicContact CZ-OD1 3.11Å; R668-D739 IonicContact NE-OD1 3.4Å; R668-D739 PolarHBondContact NE-OD1 3.47Å; R668-D739 IonicContact NH1-OD1 2.7Å; R668-D739 PolarHBondContact NH1-OD1 2.87Å; R668-D739 IonicContact NH2-OD1 3.92Å
740N77.1Confident87.3Confident109 Ų10960.6 Ų60.658%0.58329%0.293SS*.  trans-148.3136.5179.8-165.412000111P803N740-P803 VanDerWaalsContact O-CD 3.28Å; N740-P803 WeakPolarHBondContact O-CD 3.34Å; N740-P803 WeakPolarHBondContact O-CG 3.34Å
741F84.9Confident86.8Confident14 Ų1457.1 Ų57.16%0.06128%0.278CS..  trans-156.2157.2173.759.7-92.9000108.7I665 R667 I743 Y800 V801 L802I665-F741 HydrophobicContact CG2-CD1 4.26Å; I665-F741 HydrophobicContact CG2-CE1 3.97Å; I665-F741 HydrophobicContact CG2-CE2 4.49Å; I665-F741 HydrophobicContact CG2-CZ 4.1Å; R667-F741 HydrophobicContact CB-CE1 3.76Å; R667-F741 HydrophobicContact CB-CZ 4.11Å; R667-F741 HydrophobicContact CG-CE1 4.43Å; F741-I743 HydrophobicContact CD2-CG1 3.91Å; F741-I743 HydrophobicContact CE2-CD1 3.83Å; F741-I743 HydrophobicContact CE2-CG1 3.62Å; F741-Y800 AromaticContact CD2-CD1 3.54Å; F741-Y800 HydrophobicContact CD2-CD1 3.54Å; F741-Y800 HydrophobicContact CD2-CE1 4.13Å; F741-Y800 AromaticContact CE2-CD1 3.36Å; F741-Y800 HydrophobicContact CE2-CD1 3.36Å; F741-Y800 AromaticContact CE2-CE1 3.46Å; F741-Y800 HydrophobicContact CE2-CE1 3.46Å; F741-Y800 VanDerWaalsContact CE2-CE1 3.46Å; F741-Y800 HydrophobicContact CG-CD1 4.46Å; F741-Y800 HydrophobicContact CZ-CD1 4.16Å; F741-Y800 HydrophobicContact CZ-CE1 4.05Å; F741-V801 WeakPolarHBondContact CB-O 3.21Å; F741-L802 HydrophobicContact CB-CD2 4.07Å
742Q82.3Confident86.6Confident78 Ų7855.3 Ų55.336%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-106.9142.8174.5-64.4-157.217.400110.9Y800 V801 I819Q742-Y800 WeakPolarHBondContact O-CA 3.36Å; Q742-V801 PolarHBondContact N-O 2.82Å; Q742-V801 PolarHBondContact O-N 2.79Å; Q742-I819 HydrophobicContact CB-CD1 4.35Å; Q742-I819 HydrophobicContact CG-CD1 4.06Å; Q742-I819 VanDerWaalsContact NE2-CD1 3.33Å
743I85.2Confident86.4Confident83 Ų8353.6 Ų53.643%0.42626%0.256SS..EExtended strand (participates in β ladder)trans-108.1125.7177.2-53.8174.7000107.9F741 D798 L799 Y800F741-I743 HydrophobicContact CD2-CG1 3.91Å; F741-I743 HydrophobicContact CE2-CD1 3.83Å; F741-I743 HydrophobicContact CE2-CG1 3.62Å; I743-D798 HydrophobicContact CG2-CB 3.82Å; I743-L799 CarbonylContact C-O 3.6Å; I743-L799 WeakPolarHBondContact CA-O 3.15Å; I743-Y800 HydrophobicContact CD1-CE1 4.06Å; I743-Y800 HydrophobicContact CG1-CD1 4.14Å; I743-Y800 HydrophobicContact CG1-CE1 4.01Å
744I87.1Confident86Confident11 Ų1160.2 Ų60.26%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-110.9113.1172.8-59.1173.1000107.2L746 L799 V801 I819 V822 V823 L845I744-L746 HydrophobicContact CG2-CD2 4.16Å; I744-L799 HydrophobicContact CB-CB 4.27Å; I744-L799 HydrophobicContact CB-CD2 4.46Å; I744-L799 HydrophobicContact CD1-CD2 4.37Å; I744-L799 PolarHBondContact N-O 2.87Å; I744-L799 WeakPolarHBondContact O-CB 3.43Å; I744-L799 PolarHBondContact O-N 3.4Å; I744-V801 HydrophobicContact CD1-CG2 3.91Å; I744-V801 HydrophobicContact CG1-CG2 4.5Å; I744-I819 HydrophobicContact CD1-CG2 4.27Å; I744-V822 HydrophobicContact CD1-CB 4.4Å; I744-V822 HydrophobicContact CD1-CG1 3.83Å; I744-V823 HydrophobicContact CD1-CG2 4.2Å; I744-L845 HydrophobicContact CG2-CD2 3.55Å
745P89.4Confident85.8Confident55 Ų5559.4 Ų59.436%0.35727%0.273SS..EExtended strand (participates in β ladder)trans-76.6130.8-178.633.9-36.4000109.8A846P745-A846 HydrophobicContact CB-CB 3.96Å; P745-A846 HydrophobicContact CG-CB 4.38Å; P745-A846 PolarHBondContact O-N 2.97Å
746L90.4Very high85.8Confident0 Ų060.4 Ų60.40%028%0.278CS..EExtended strand (participates in β ladder)trans-116.1144.1-177.2-58-179.5000110.4I744 V770 T787 T796 A797 L799 V826 V843 M844 L845I744-L746 HydrophobicContact CG2-CD2 4.16Å; L746-V770 HydrophobicContact CD1-CG1 4.21Å; L746-T787 HydrophobicContact CD1-CG2 4.34Å; L746-T796 WeakPolarHBondContact O-CA 3.46Å; L746-A797 WeakPolarHBondContact CA-O 3.38Å; L746-A797 HydrophobicContact CB-CB 4.24Å; L746-A797 WeakPolarHBondContact CB-O 3.28Å; L746-A797 PolarHBondContact N-O 2.93Å; L746-A797 PolarHBondContact O-N 3.22Å; L746-L799 HydrophobicContact CD1-CB 3.75Å; L746-L799 HydrophobicContact CD1-CD2 4.45Å; L746-L799 HydrophobicContact CG-CB 4.11Å; L746-V826 HydrophobicContact CD2-CG1 4.24Å; L746-V826 HydrophobicContact CD2-CG2 4.4Å; L746-V843 HydrophobicContact CB-CG1 4.23Å; L746-V843 HydrophobicContact CD1-CG1 3.94Å; L746-V843 HydrophobicContact CD2-CG1 4.25Å; L746-V843 HydrophobicContact CG-CG1 4.38Å; L746-M844 CarbonylContact C-O 3.54Å; L746-M844 WeakPolarHBondContact CA-O 3.37Å; L746-L845 HydrophobicContact CD2-CD2 4.34Å
747S89.9Confident85.5Confident28 Ų2859 Ų5920%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-122.8149.4171.862.70000109.9M844S747-M844 PolarHBondContact N-O 3.14Å; S747-M844 PolarHBondContact O-N 3.17Å; S747-M844 PolarHBondContact OG-O 2.82Å
748F90.2Very high85.1Confident13 Ų1362.7 Ų62.76%0.05730%0.302CS..EExtended strand (participates in β ladder)trans-105.7151.6177-61-84.5000110.8L752 V766 V770 V789 T795 A797 F833 V841 L842 V843F748-L752 HydrophobicContact CB-CB 4.17Å; F748-L752 HydrophobicContact CB-CD2 3.71Å; F748-L752 HydrophobicContact CD1-CD2 3.67Å; F748-L752 HydrophobicContact CD2-CD2 3.85Å; F748-L752 HydrophobicContact CE1-CD2 4.22Å; F748-L752 HydrophobicContact CE2-CD2 4.37Å; F748-L752 HydrophobicContact CG-CD2 3.46Å; F748-L752 VanDerWaalsContact CG-CD2 3.46Å; F748-V766 HydrophobicContact CE1-CG1 4.44Å; F748-V766 HydrophobicContact CZ-CG1 4.32Å; F748-V770 HydrophobicContact CE1-CG2 3.76Å; F748-V770 HydrophobicContact CZ-CG2 4.13Å; F748-V789 HydrophobicContact CE2-CG1 4.41Å; F748-V789 HydrophobicContact CZ-CG2 4.41Å; F748-T795 HydrophobicContact CD2-CG2 3.84Å; F748-T795 WeakPolarHBondContact CD2-O 3.37Å; F748-T795 HydrophobicContact CE2-CG2 4.21Å; F748-A797 HydrophobicContact CE2-CB 3.54Å; F748-A797 HydrophobicContact CZ-CB 3.79Å; F748-F833 HydrophobicContact CD1-CE1 4.25Å; F748-F833 HydrophobicContact CE1-CE1 4.18Å; F748-V841 HydrophobicContact CB-CG1 4.25Å; F748-V841 HydrophobicContact CD1-CG1 4.02Å; F748-L842 WeakPolarHBondContact CA-O 3.48Å; F748-V843 HydrophobicContact CD1-CG2 4.04Å; F748-V843 HydrophobicContact CE1-CG1 4.42Å; F748-V843 HydrophobicContact CE1-CG2 3.84Å
749S87.6Confident84.9Confident17 Ų1763.2 Ų63.212%0.11931%0.309CS..  trans-59.7144.8167.265.70000110.8N751 L752 V841 L842S749-N751 PolarHBondContact O-N 3.38Å; S749-L752 PolarHBondContact O-N 3.34Å; S749-V841 WeakPolarHBondContact OG-CA 3.31Å; S749-L842 PolarHBondContact N-O 2.98Å; S749-L842 PolarHBondContact OG-N 2.66Å
750R83.4Confident84.8Confident211 Ų21160.5 Ų60.580%0.79630%0.296SS*.THydrogen-bonded Turntrans-52.7-12.8179.3-66.8-174.1179.9-174.8-0.4115.9L752R750-L752 PolarHBondContact O-N 2.95Å
751N84.6Confident84.9Confident57 Ų5760.9 Ų60.931%0.30529%0.294SS..THydrogen-bonded Turntrans-62.3-29.4173.3-68-19.6000112.3S749 F755 R840 V841S749-N751 PolarHBondContact O-N 3.38Å; N751-F755 VanDerWaalsContact O-CD2 3.28Å; N751-F755 WeakPolarHBondContact O-CD2 3.42Å; N751-R840 PolarHBondContact ND2-O 3.41Å; N751-V841 HydrophobicContact CB-CG2 4.08Å
752L88.1Confident85Confident1 Ų162.6 Ų62.61%0.00530%0.3CS..THydrogen-bonded Turntrans-76.7-38.1-179.8-170.963.6000112.4F748 S749 R750 R754 F755 N756 W762 V766 T795 F833 V835 V841F748-L752 HydrophobicContact CB-CB 4.17Å; F748-L752 HydrophobicContact CB-CD2 3.71Å; F748-L752 HydrophobicContact CD1-CD2 3.67Å; F748-L752 HydrophobicContact CD2-CD2 3.85Å; F748-L752 HydrophobicContact CE1-CD2 4.22Å; F748-L752 HydrophobicContact CE2-CD2 4.37Å; F748-L752 HydrophobicContact CG-CD2 3.46Å; F748-L752 VanDerWaalsContact CG-CD2 3.46Å; S749-L752 PolarHBondContact O-N 3.34Å; R750-L752 PolarHBondContact O-N 2.95Å; L752-R754 PolarHBondContact O-N 2.88Å; L752-R754 VanDerWaalsContact O-N 3.14Å; L752-F755 CarbonylContact O-C 3.58Å; L752-F755 PolarHBondContact O-N 2.85Å; L752-N756 PolarHBondContact O-N 2.97Å; L752-W762 HydrophobicContact CD1-CH2 3.87Å; L752-W762 HydrophobicContact CD1-CZ2 3.64Å; L752-W762 HydrophobicContact CD2-CH2 4.16Å; L752-W762 HydrophobicContact CG-CH2 3.87Å; L752-W762 HydrophobicContact CG-CZ2 4.15Å; L752-V766 HydrophobicContact CD2-CG1 4.36Å; L752-T795 HydrophobicContact CD2-CG2 3.83Å; L752-T795 HydrophobicContact CG-CG2 4.48Å; L752-F833 HydrophobicContact CD1-CE2 4.24Å; L752-F833 HydrophobicContact CD1-CZ 4.02Å; L752-F833 HydrophobicContact CD2-CZ 4.28Å; L752-V835 HydrophobicContact CD1-CG2 4.13Å; L752-V841 HydrophobicContact CB-CG1 3.95Å; L752-V841 HydrophobicContact CB-CG2 3.97Å; L752-V841 HydrophobicContact CD1-CG2 4.27Å; L752-V841 HydrophobicContact CD2-CG1 4.33Å
753D87.4Confident85.3Confident34 Ų3460.1 Ų60.118%0.18229%0.287CS..G310 helixtrans-55.4-35.4-177.1-65.1-22.6000113F755 N756 L793 T795D753-F755 PolarHBondContact O-N 3.16Å; D753-N756 PolarHBondContact O-N 2.88Å; D753-L793 HydrophobicContact CB-CD2 3.86Å; D753-T795 WeakPolarHBondContact OD1-CB 3.43Å; D753-T795 PolarHBondContact OD1-N 2.89Å; D753-T795 PolarHBondContact OD1-OG1 3.39Å
754R82.6Confident85.3Confident203 Ų20360.8 Ų60.877%0.76629%0.292SS*.G310 helixtrans-66.2-18.9178.8-65.6-176.6179.7-177.8-0.5113.7L752L752-R754 PolarHBondContact O-N 2.88Å; L752-R754 VanDerWaalsContact O-N 3.14Å
755F85.3Confident85.3Confident74 Ų7465.1 Ų65.133%0.32532%0.315SS..G310 helixtrans-120.918.7-177.8-54.4-73.8000111.8N751 L752 D753 P757 W762 V835 L839N751-F755 VanDerWaalsContact O-CD2 3.28Å; N751-F755 WeakPolarHBondContact O-CD2 3.42Å; L752-F755 CarbonylContact O-C 3.58Å; L752-F755 PolarHBondContact O-N 2.85Å; D753-F755 PolarHBondContact O-N 3.16Å; F755-P757 WeakPolarHBondContact O-CD 3.34Å; F755-W762 WeakPolarHBondContact O-CZ2 3.48Å; F755-V835 HydrophobicContact CB-CG1 4.18Å; F755-V835 HydrophobicContact CD2-CG1 3.78Å; F755-V835 HydrophobicContact CE2-CG1 4.39Å; F755-V835 HydrophobicContact CG-CG1 4.06Å; F755-L839 HydrophobicContact CE2-CD1 3.72Å; F755-L839 HydrophobicContact CZ-CD1 3.94Å
756N87.6Confident85.4Confident22 Ų2263 Ų6312%0.11830%0.301CS..  trans-89.5101.8176.3-178.2-5.1000109.8L752 D753 N758 W762 G792 L793 T795L752-N756 PolarHBondContact O-N 2.97Å; D753-N756 PolarHBondContact O-N 2.88Å; N756-N758 PolarHBondContact O-N 2.8Å; N756-N758 WeakPolarHBondContact OD1-CA 3.49Å; N756-N758 PolarHBondContact OD1-N 3.41Å; N756-W762 HydrophobicContact CB-CH2 3.76Å; N756-W762 HydrophobicContact CB-CZ2 4.34Å; N756-W762 HydrophobicContact CB-CZ3 4.08Å; N756-W762 WeakPolarHBondContact OD1-CZ3 3.27Å; N756-G792 PolarHBondContact ND2-O 2.88Å; N756-L793 HydrophobicContact CB-CD2 4.11Å; N756-T795 PolarHBondContact ND2-OG1 3Å
757P81.9Confident85.4Confident71 Ų7163.1 Ų63.146%0.46130%0.302SS..  trans-74.4-5.1176.332.3-40.1000114.2F755 I759 W762F755-P757 WeakPolarHBondContact O-CD 3.34Å; P757-I759 HydrophobicContact CB-CG1 4.29Å; P757-I759 HydrophobicContact CB-CG2 4.47Å; P757-I759 HydrophobicContact CG-CD1 4.26Å; P757-I759 HydrophobicContact CG-CG1 3.8Å; P757-I759 PolarHBondContact O-N 2.93Å; P757-W762 HydrophobicContact CG-CB 3.87Å; P757-W762 HydrophobicContact CG-CD2 4.03Å; P757-W762 HydrophobicContact CG-CG 3.66Å
758N79Confident85.3Confident80 Ų8067.8 Ų67.843%0.42832%0.321SS..  trans57.628.3-174.7-160.442.9000115.3N756 R763 G792N756-N758 PolarHBondContact O-N 2.8Å; N756-N758 WeakPolarHBondContact OD1-CA 3.49Å; N756-N758 PolarHBondContact OD1-N 3.41Å; N758-R763 VanDerWaalsContact C-NH1 3.35Å; N758-R763 PolarHBondContact O-NH1 2.99Å; N758-R763 PolarHBondContact OD1-NH1 3.48Å; N758-G792 PolarHBondContact OD1-N 2.99Å; N758-G792 VanDerWaalsContact OD1-N 3.16Å
759I79.7Confident85.4Confident82 Ų8270 Ų7042%0.42134%0.336SS..  trans-97.3145.917366.6176.8000111.4P757 E761 W762 R763P757-I759 HydrophobicContact CB-CG1 4.29Å; P757-I759 HydrophobicContact CB-CG2 4.47Å; P757-I759 HydrophobicContact CG-CD1 4.26Å; P757-I759 HydrophobicContact CG-CG1 3.8Å; P757-I759 PolarHBondContact O-N 2.93Å; I759-E761 PolarHBondContact O-N 3.46Å; I759-W762 HydrophobicContact CD1-CB 4.17Å; I759-W762 HydrophobicContact CG1-CB 3.6Å; I759-W762 PolarHBondContact O-N 3.1Å; I759-R763 PolarHBondContact O-N 3.48Å
760P76.7Confident85.5Confident28 Ų2869.2 Ų69.218%0.18233%0.33CS..Hα-helixtrans-58.4-43.7-177.9-21.730.8000114.6H659 W762 R763 D764H659-P760 WeakPolarHBondContact NE2-CG 3.4Å; P760-W762 VanDerWaalsContact C-N 3.29Å; P760-W762 PolarHBondContact O-N 3.27Å; P760-R763 WeakPolarHBondContact O-CA 3.29Å; P760-R763 WeakPolarHBondContact O-CB 3.32Å; P760-R763 PolarHBondContact O-N 2.92Å; P760-D764 PolarHBondContact O-N 3.27Å
761E80.4Confident85.8Confident117 Ų11759.7 Ų59.755%0.54730%0.295SS..Hα-helixtrans-63.4-38.5-174.8-56.174.9-164.800111.1I759 D764 D765I759-E761 PolarHBondContact O-N 3.46Å; E761-D764 PolarHBondContact O-N 3.4Å; E761-D765 PolarHBondContact O-N 2.9Å
762W87.3Confident86.1Confident50 Ų5063.5 Ų63.519%0.18931%0.309CS..Hα-helixtrans-66.1-39.4174.9179.291.2000111.9L752 F755 N756 P757 I759 P760 D764 D765 V766 T795L752-W762 HydrophobicContact CD1-CH2 3.87Å; L752-W762 HydrophobicContact CD1-CZ2 3.64Å; L752-W762 HydrophobicContact CD2-CH2 4.16Å; L752-W762 HydrophobicContact CG-CH2 3.87Å; L752-W762 HydrophobicContact CG-CZ2 4.15Å; F755-W762 WeakPolarHBondContact O-CZ2 3.48Å; N756-W762 HydrophobicContact CB-CH2 3.76Å; N756-W762 HydrophobicContact CB-CZ2 4.34Å; N756-W762 HydrophobicContact CB-CZ3 4.08Å; N756-W762 WeakPolarHBondContact OD1-CZ3 3.27Å; P757-W762 HydrophobicContact CG-CB 3.87Å; P757-W762 HydrophobicContact CG-CD2 4.03Å; P757-W762 HydrophobicContact CG-CG 3.66Å; I759-W762 HydrophobicContact CD1-CB 4.17Å; I759-W762 HydrophobicContact CG1-CB 3.6Å; I759-W762 PolarHBondContact O-N 3.1Å; P760-W762 VanDerWaalsContact C-N 3.29Å; P760-W762 PolarHBondContact O-N 3.27Å; W762-D764 VanDerWaalsContact C-N 3.33Å; W762-D765 PolarHBondContact O-N 2.97Å; W762-V766 HydrophobicContact CD2-CG2 3.99Å; W762-V766 HydrophobicContact CE3-CG2 4.23Å; W762-V766 HydrophobicContact CH2-CG2 4.04Å; W762-V766 HydrophobicContact CZ2-CG2 3.79Å; W762-V766 HydrophobicContact CZ3-CG2 4.25Å; W762-V766 VanDerWaalsContact O-CG2 3.28Å; W762-V766 WeakPolarHBondContact O-CG2 3.41Å; W762-V766 PolarHBondContact O-N 3.31Å; W762-T795 HydrophobicContact CH2-CG2 4.47Å
763R88Confident86.1Confident25 Ų2565.8 Ų65.89%0.09432%0.321CS..Hα-helixtrans-64.7-40.6177.4-71.8-171.5-61.5-110.11.2110.8N758 I759 P760 V766 G767 V789N758-R763 VanDerWaalsContact C-NH1 3.35Å; N758-R763 PolarHBondContact O-NH1 2.99Å; N758-R763 PolarHBondContact OD1-NH1 3.48Å; I759-R763 PolarHBondContact O-N 3.48Å; P760-R763 WeakPolarHBondContact O-CA 3.29Å; P760-R763 WeakPolarHBondContact O-CB 3.32Å; P760-R763 PolarHBondContact O-N 2.92Å; R763-V766 PolarHBondContact O-N 3.34Å; R763-G767 PolarHBondContact O-N 3.48Å; R763-V789 HydrophobicContact CB-CB 3.97Å; R763-V789 WeakPolarHBondContact CD-O 3.36Å; R763-V789 HydrophobicContact CG-CB 4.16Å; R763-V789 HydrophobicContact CG-CG1 4.18Å; R763-V789 WeakPolarHBondContact O-CG2 3.25Å
764D84.6Confident86.1Confident98 Ų9864.1 Ų64.152%0.52431%0.312SS..Hα-helixtrans-64.9-46.2176.8-72.5-15.9000111.7P760 E761 W762 V766 G767 Q768P760-D764 PolarHBondContact O-N 3.27Å; E761-D764 PolarHBondContact O-N 3.4Å; W762-D764 VanDerWaalsContact C-N 3.33Å; D764-V766 PolarHBondContact O-N 2.82Å; D764-G767 PolarHBondContact O-N 3.21Å; D764-Q768 WeakPolarHBondContact O-CG 3.23Å; D764-Q768 PolarHBondContact O-N 3.45Å
765D88.4Confident86.4Confident102 Ų10255.1 Ų55.155%0.54528%0.281SS..Hα-helixtrans-60.6-44.9176.6-84.5-4000112E761 W762 G767 Q768 V769E761-D765 PolarHBondContact O-N 2.9Å; W762-D765 PolarHBondContact O-N 2.97Å; D765-G767 VanDerWaalsContact C-N 3.35Å; D765-Q768 PolarHBondContact O-N 3.49Å; D765-V769 VanDerWaalsContact O-CG2 3.31Å; D765-V769 WeakPolarHBondContact O-CG2 3.37Å; D765-V769 PolarHBondContact O-N 3.23Å
766V89.9Confident86.4Confident10 Ų1060.2 Ų60.26%0.06130%0.303CS..Hα-helixtrans-63-43.7175.91730000110.5F748 L752 W762 R763 D764 Q768 V769 V770 V789 F833F748-V766 HydrophobicContact CE1-CG1 4.44Å; F748-V766 HydrophobicContact CZ-CG1 4.32Å; L752-V766 HydrophobicContact CD2-CG1 4.36Å; W762-V766 HydrophobicContact CD2-CG2 3.99Å; W762-V766 HydrophobicContact CE3-CG2 4.23Å; W762-V766 HydrophobicContact CH2-CG2 4.04Å; W762-V766 HydrophobicContact CZ2-CG2 3.79Å; W762-V766 HydrophobicContact CZ3-CG2 4.25Å; W762-V766 VanDerWaalsContact O-CG2 3.28Å; W762-V766 WeakPolarHBondContact O-CG2 3.41Å; W762-V766 PolarHBondContact O-N 3.31Å; R763-V766 PolarHBondContact O-N 3.34Å; D764-V766 PolarHBondContact O-N 2.82Å; V766-Q768 PolarHBondContact O-N 3.02Å; V766-V769 PolarHBondContact O-N 2.91Å; V766-V770 HydrophobicContact CG1-CG2 4.48Å; V766-V770 VanDerWaalsContact O-CG2 3.29Å; V766-V770 WeakPolarHBondContact O-CG2 3.29Å; V766-V770 PolarHBondContact O-N 3.26Å; V766-V789 HydrophobicContact CB-CG2 4.18Å; V766-V789 HydrophobicContact CG1-CG2 3.91Å; V766-F833 HydrophobicContact CG1-CZ 4.14Å
767G90Very high86.2Confident2 Ų262.2 Ų62.22%0.02132%0.316CS..Hα-helixtrans-58.6-44.5175.100000112.6R763 D764 D765 V770 T771 T787R763-G767 PolarHBondContact O-N 3.48Å; D764-G767 PolarHBondContact O-N 3.21Å; D765-G767 VanDerWaalsContact C-N 3.35Å; G767-V770 PolarHBondContact O-N 3.14Å; G767-T771 VanDerWaalsContact O-CB 3.32Å; G767-T771 WeakPolarHBondContact O-CB 3.26Å; G767-T771 PolarHBondContact O-N 2.95Å; G767-T771 PolarHBondContact O-OG1 2.88Å; G767-T787 WeakPolarHBondContact CA-O 3.18Å; G767-T787 WeakPolarHBondContact O-CB 3.32Å
768Q89.2Confident86.3Confident126 Ų12660.3 Ų60.359%0.58930%0.303SS*.Hα-helixtrans-64.2-41.8176.7-72.8-178.52600112.3D764 D765 V766 T771 K772D764-Q768 WeakPolarHBondContact O-CG 3.23Å; D764-Q768 PolarHBondContact O-N 3.45Å; D765-Q768 PolarHBondContact O-N 3.49Å; V766-Q768 PolarHBondContact O-N 3.02Å; Q768-T771 PolarHBondContact O-N 2.84Å; Q768-K772 VanDerWaalsContact O-CB 3.32Å; Q768-K772 WeakPolarHBondContact O-CB 3.33Å; Q768-K772 PolarHBondContact O-N 2.95Å
769V91.2Very high86.3Confident61 Ų6159.6 Ų59.637%0.3732%0.315SS..Hα-helixtrans-60.8-47.3176.2169.10000110.7D765 V766 K772 L773 F833D765-V769 VanDerWaalsContact O-CG2 3.31Å; D765-V769 WeakPolarHBondContact O-CG2 3.37Å; D765-V769 PolarHBondContact O-N 3.23Å; V766-V769 PolarHBondContact O-N 2.91Å; V769-K772 PolarHBondContact O-N 2.63Å; V769-L773 HydrophobicContact CG1-CD1 3.83Å; V769-L773 WeakPolarHBondContact O-CB 3.45Å; V769-L773 VanDerWaalsContact O-CG 3.26Å; V769-L773 WeakPolarHBondContact O-CG 3.11Å; V769-L773 PolarHBondContact O-N 3.46Å; V769-F833 HydrophobicContact CG1-CB 4.03Å; V769-F833 HydrophobicContact CG1-CD2 4.35Å; V769-F833 HydrophobicContact CG1-CG 4.09Å
770V90.8Very high86.5Confident0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-62.5-45.7178.3174.80000110.7L746 F748 V766 G767 K772 L773 L774 T787 F833 V843L746-V770 HydrophobicContact CD1-CG1 4.21Å; F748-V770 HydrophobicContact CE1-CG2 3.76Å; F748-V770 HydrophobicContact CZ-CG2 4.13Å; V766-V770 HydrophobicContact CG1-CG2 4.48Å; V766-V770 VanDerWaalsContact O-CG2 3.29Å; V766-V770 WeakPolarHBondContact O-CG2 3.29Å; V766-V770 PolarHBondContact O-N 3.26Å; G767-V770 PolarHBondContact O-N 3.14Å; V770-K772 PolarHBondContact O-N 3.07Å; V770-L773 PolarHBondContact O-N 2.85Å; V770-L774 HydrophobicContact CG1-CD1 3.75Å; V770-L774 HydrophobicContact CG1-CG 4.37Å; V770-L774 WeakPolarHBondContact O-CB 3.43Å; V770-L774 WeakPolarHBondContact O-CG 3.32Å; V770-L774 PolarHBondContact O-N 2.9Å; V770-T787 HydrophobicContact CB-CG2 4.08Å; V770-T787 HydrophobicContact CG1-CG2 3.89Å; V770-F833 HydrophobicContact CG2-CE1 4.26Å; V770-V843 HydrophobicContact CG1-CG1 4.42Å; V770-V843 HydrophobicContact CG1-CG2 4.45Å; V770-V843 HydrophobicContact CG2-CG2 4.14Å
771T90.1Very high86.8Confident11 Ų1157.2 Ų57.27%0.06730%0.304CS..Hα-helixtrans-58.3-47.9177.9-57.90000111.6G767 Q768 L773 L774 A775 Q782 L785 T787G767-T771 VanDerWaalsContact O-CB 3.32Å; G767-T771 WeakPolarHBondContact O-CB 3.26Å; G767-T771 PolarHBondContact O-N 2.95Å; G767-T771 PolarHBondContact O-OG1 2.88Å; Q768-T771 PolarHBondContact O-N 2.84Å; T771-L773 PolarHBondContact O-N 3.31Å; T771-L774 PolarHBondContact O-N 2.85Å; T771-A775 WeakPolarHBondContact O-CB 3.28Å; T771-A775 PolarHBondContact O-N 2.65Å; T771-Q782 HydrophobicContact CG2-CG 4.1Å; T771-L785 HydrophobicContact CG2-CB 3.84Å; T771-L785 WeakPolarHBondContact CG2-O 3.41Å; T771-T787 WeakPolarHBondContact OG1-CB 3.32Å; T771-T787 PolarHBondContact OG1-N 2.78Å; T771-T787 PolarHBondContact OG1-OG1 2.88Å
772K89.2Confident86.9Confident137 Ų13756.4 Ų56.460%0.59630%0.301SS*.Hα-helixtrans-64.2-39.2178.9-172.5175.6-175.2172.70112.5Q768 V769 V770 K776Q768-K772 VanDerWaalsContact O-CB 3.32Å; Q768-K772 WeakPolarHBondContact O-CB 3.33Å; Q768-K772 PolarHBondContact O-N 2.95Å; V769-K772 PolarHBondContact O-N 2.63Å; V770-K772 PolarHBondContact O-N 3.07Å; K772-K776 WeakPolarHBondContact O-CB 3.21Å; K772-K776 PolarHBondContact O-N 2.93Å
773L89.1Confident86.6Confident48 Ų4861.1 Ų61.125%0.25133%0.329SS..Hα-helixtrans-67.8-42176.7-73.2168.6000111.7V769 V770 T771 K776 T777 V831 F833V769-L773 HydrophobicContact CG1-CD1 3.83Å; V769-L773 WeakPolarHBondContact O-CB 3.45Å; V769-L773 VanDerWaalsContact O-CG 3.26Å; V769-L773 WeakPolarHBondContact O-CG 3.11Å; V769-L773 PolarHBondContact O-N 3.46Å; V770-L773 PolarHBondContact O-N 2.85Å; T771-L773 PolarHBondContact O-N 3.31Å; L773-K776 PolarHBondContact O-N 3.25Å; L773-T777 VanDerWaalsContact O-CB 3.31Å; L773-T777 WeakPolarHBondContact O-CB 3.34Å; L773-T777 PolarHBondContact O-N 2.89Å; L773-T777 PolarHBondContact O-OG1 2.84Å; L773-V831 HydrophobicContact CB-CG1 4.14Å; L773-F833 HydrophobicContact CD1-CB 3.85Å
774L88.3Confident86.4Confident0 Ų060 Ų600%033%0.326CS..Hα-helixtrans-63.5-46.5176.2-76.9168.2000111.7V770 T771 K776 T777 T778 L785 L799 V822 V826 V831V770-L774 HydrophobicContact CG1-CD1 3.75Å; V770-L774 HydrophobicContact CG1-CG 4.37Å; V770-L774 WeakPolarHBondContact O-CB 3.43Å; V770-L774 WeakPolarHBondContact O-CG 3.32Å; V770-L774 PolarHBondContact O-N 2.9Å; T771-L774 PolarHBondContact O-N 2.85Å; L774-K776 PolarHBondContact O-N 3.05Å; L774-T777 PolarHBondContact O-N 3.46Å; L774-T778 WeakPolarHBondContact O-CB 3.43Å; L774-T778 WeakPolarHBondContact O-CG2 3.49Å; L774-T778 PolarHBondContact O-N 2.77Å; L774-T778 PolarHBondContact O-OG1 3.29Å; L774-L785 HydrophobicContact CB-CD1 4Å; L774-L799 HydrophobicContact CD1-CD1 3.87Å; L774-L799 HydrophobicContact CD1-CD2 3.64Å; L774-L799 HydrophobicContact CD1-CG 4.38Å; L774-V822 HydrophobicContact CD2-CG1 4.32Å; L774-V826 HydrophobicContact CD2-CG2 3.73Å; L774-V831 HydrophobicContact CD2-CG1 4.43Å; L774-V831 HydrophobicContact CD2-CG2 3.69Å; L774-V831 HydrophobicContact CG-CG1 4.4Å; L774-V831 HydrophobicContact CG-CG2 4.43Å
775A87.2Confident86.4Confident13 Ų1355.6 Ų55.611%0.10730%0.302CS..Hα-helixtrans-59.5-45.6176.400000111.7T771 T777 G779 V780 Q782 L785T771-A775 WeakPolarHBondContact O-CB 3.28Å; T771-A775 PolarHBondContact O-N 2.65Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 3.45Å; A775-G779 WeakPolarHBondContact O-CA 3.31Å; A775-G779 PolarHBondContact O-N 3.5Å; A775-V780 WeakPolarHBondContact CA-O 3.36Å; A775-V780 WeakPolarHBondContact CB-O 3.37Å; A775-Q782 HydrophobicContact CB-CB 3.95Å; A775-Q782 HydrophobicContact CB-CG 4.27Å; A775-L785 HydrophobicContact CB-CD1 4.38Å
776K86.1Confident86.4Confident182 Ų18252.6 Ų52.679%0.79129%0.287SS*.Hα-helixtrans-64-36.6178.1-174179.5179.3-176.60113.2K772 L773 L774K772-K776 WeakPolarHBondContact O-CB 3.21Å; K772-K776 PolarHBondContact O-N 2.93Å; L773-K776 PolarHBondContact O-N 3.25Å; L774-K776 PolarHBondContact O-N 3.05Å
777T84.2Confident86.4Confident64 Ų6452.7 Ų52.739%0.39329%0.288SS..Hα-helixtrans-84.2-32.8-173.6-51.90000112.1L773 L774 A775 A825 N830L773-T777 VanDerWaalsContact O-CB 3.31Å; L773-T777 WeakPolarHBondContact O-CB 3.34Å; L773-T777 PolarHBondContact O-N 2.89Å; L773-T777 PolarHBondContact O-OG1 2.84Å; L774-T777 PolarHBondContact O-N 3.46Å; A775-T777 VanDerWaalsContact C-N 3.34Å; A775-T777 PolarHBondContact O-N 3.45Å; T777-A825 HydrophobicContact CG2-CB 4.17Å; T777-N830 HydrophobicContact CG2-CB 4.07Å
778T83.9Confident86.4Confident31 Ų3153.8 Ų53.819%0.1929%0.294CS..Hα-helixtrans-100.8-17.6-175.362.30000113.6L774 V780 V822 A825L774-T778 WeakPolarHBondContact O-CB 3.43Å; L774-T778 WeakPolarHBondContact O-CG2 3.49Å; L774-T778 PolarHBondContact O-N 2.77Å; L774-T778 PolarHBondContact O-OG1 3.29Å; T778-V780 PolarHBondContact O-N 2.94Å; T778-V780 WeakPolarHBondContact OG1-CB 3.14Å; T778-V780 WeakPolarHBondContact OG1-CG2 3.24Å; T778-V780 PolarHBondContact OG1-N 3.01Å; T778-V822 HydrophobicContact CG2-CG2 4.08Å; T778-A825 HydrophobicContact CG2-CB 3.62Å
779G78.4Confident86.4Confident65 Ų6548.1 Ų48.167%0.6727%0.268SS*.  trans74.64-172.400000114A775A775-G779 WeakPolarHBondContact O-CA 3.31Å; A775-G779 PolarHBondContact O-N 3.5Å
780V83.3Confident86.1Confident7 Ų747.3 Ų47.34%0.04226%0.262CS..  trans-69.5134.2174.5175.50000109.1A775 T778 Q782 S784 L785 H818 V822A775-V780 WeakPolarHBondContact CA-O 3.36Å; A775-V780 WeakPolarHBondContact CB-O 3.37Å; T778-V780 PolarHBondContact O-N 2.94Å; T778-V780 WeakPolarHBondContact OG1-CB 3.14Å; T778-V780 WeakPolarHBondContact OG1-CG2 3.24Å; T778-V780 PolarHBondContact OG1-N 3.01Å; V780-Q782 PolarHBondContact O-N 3.28Å; V780-S784 WeakPolarHBondContact CG1-OG 3.25Å; V780-L785 HydrophobicContact CB-CD1 4.16Å; V780-L785 HydrophobicContact CG1-CD1 3.95Å; V780-L785 HydrophobicContact CG1-CD2 4.07Å; V780-L785 HydrophobicContact CG1-CG 3.86Å; V780-H818 HydrophobicContact CG1-CB 4.41Å; V780-H818 HydrophobicContact CG2-CB 3.88Å; V780-V822 HydrophobicContact CG2-CG2 4.28Å
781P83.5Confident85.6Confident52 Ų5251.3 Ų51.334%0.33829%0.288SS..  trans-54.7133179.3-28.637.6000112D783 S784 L804P781-D783 PolarHBondContact O-N 3.45Å; P781-S784 PolarHBondContact O-N 3.46Å; P781-S784 PolarHBondContact O-OG 3.22Å; P781-L804 HydrophobicContact CB-CD2 4.12Å; P781-L804 HydrophobicContact CG-CD1 4.05Å; P781-L804 HydrophobicContact CG-CD2 3.94Å
782Q83.2Confident85Confident101 Ų10152.2 Ų52.247%0.47230%0.299SS..G310 helixtrans-58.3-36.3-176.8-169.6179.2-43.700111.9T771 A775 V780 S784 L785T771-Q782 HydrophobicContact CG2-CG 4.1Å; A775-Q782 HydrophobicContact CB-CB 3.95Å; A775-Q782 HydrophobicContact CB-CG 4.27Å; V780-Q782 PolarHBondContact O-N 3.28Å; Q782-S784 PolarHBondContact O-N 3.42Å; Q782-L785 PolarHBondContact O-N 2.89Å; Q782-L785 VanDerWaalsContact O-N 3.14Å; Q782-L785 VanDerWaalsContact O-O 3.1Å
783D80.4Confident84.5Confident148 Ų14851.3 Ų51.379%0.79130%0.3SS*.G310 helixtrans-68.4-13.2179.5-54.2-29.1000113.5P781P781-D783 PolarHBondContact O-N 3.45Å
784S82.8Confident84.4Confident3 Ų353.5 Ų53.52%0.02132%0.317CS..G310 helixtrans-94.62.4176.569.10000113.8V780 P781 Q782 V801 L802V780-S784 WeakPolarHBondContact CG1-OG 3.25Å; P781-S784 PolarHBondContact O-N 3.46Å; P781-S784 PolarHBondContact O-OG 3.22Å; Q782-S784 PolarHBondContact O-N 3.42Å; S784-V801 WeakPolarHBondContact O-CA 3.45Å; S784-L802 PolarHBondContact O-N 3.38Å
785L86.3Confident84.5Confident4 Ų453.6 Ų53.62%0.02132%0.318CS..EExtended strand (participates in β ladder)trans-126.3128.7-179.4-64.1176.4000109.6T771 L774 A775 V780 Q782 L799 Y800 V801 V822T771-L785 HydrophobicContact CG2-CB 3.84Å; T771-L785 WeakPolarHBondContact CG2-O 3.41Å; L774-L785 HydrophobicContact CB-CD1 4Å; A775-L785 HydrophobicContact CB-CD1 4.38Å; V780-L785 HydrophobicContact CB-CD1 4.16Å; V780-L785 HydrophobicContact CG1-CD1 3.95Å; V780-L785 HydrophobicContact CG1-CD2 4.07Å; V780-L785 HydrophobicContact CG1-CG 3.86Å; Q782-L785 PolarHBondContact O-N 2.89Å; Q782-L785 VanDerWaalsContact O-N 3.14Å; Q782-L785 VanDerWaalsContact O-O 3.1Å; L785-L799 HydrophobicContact CB-CD1 4.31Å; L785-L799 HydrophobicContact CD2-CD1 4.31Å; L785-Y800 WeakPolarHBondContact CA-O 3.45Å; L785-V801 HydrophobicContact CD2-CG1 4.35Å; L785-V801 HydrophobicContact CD2-CG2 3.97Å; L785-V822 HydrophobicContact CD2-CG2 4.45Å
786V88.4Confident84.7Confident40 Ų4055.3 Ų55.324%0.24233%0.327CS..EExtended strand (participates in β ladder)trans-132.4116.6172.4-179.80000108.7I665 V788 Y800 L802I665-V786 HydrophobicContact CD1-CB 3.54Å; I665-V786 HydrophobicContact CD1-CG1 3.62Å; I665-V786 HydrophobicContact CD1-CG2 3.87Å; V786-V788 HydrophobicContact CG1-CG2 4.27Å; V786-Y800 PolarHBondContact N-O 3.14Å; V786-Y800 PolarHBondContact O-N 3.18Å; V786-L802 HydrophobicContact CG2-CD1 3.74Å
787T89.4Confident84.9Confident11 Ų1146.7 Ų46.77%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-97.1120.3176.2-49.60000109.6L746 G767 V770 T771 A797 L799L746-T787 HydrophobicContact CD1-CG2 4.34Å; G767-T787 WeakPolarHBondContact CA-O 3.18Å; G767-T787 WeakPolarHBondContact O-CB 3.32Å; V770-T787 HydrophobicContact CB-CG2 4.08Å; V770-T787 HydrophobicContact CG1-CG2 3.89Å; T771-T787 WeakPolarHBondContact OG1-CB 3.32Å; T771-T787 PolarHBondContact OG1-N 2.78Å; T771-T787 PolarHBondContact OG1-OG1 2.88Å; T787-A797 HydrophobicContact CG2-CB 3.88Å; T787-L799 WeakPolarHBondContact OG1-CD1 3.41Å
788V88.6Confident85.1Confident26 Ų2645.4 Ų45.416%0.15828%0.28CS..EExtended strand (participates in β ladder)trans-108116.3175.5-175.80000108.4P664 V786 A797 D798 Y800P664-V788 HydrophobicContact CG-CB 4.48Å; P664-V788 HydrophobicContact CG-CG1 4.17Å; P664-V788 HydrophobicContact CG-CG2 3.45Å; P664-V788 VanDerWaalsContact CG-CG2 3.45Å; V786-V788 HydrophobicContact CG1-CG2 4.27Å; V788-A797 CarbonylContact O-C 3.56Å; V788-A797 WeakPolarHBondContact O-CA 3.32Å; V788-A797 VanDerWaalsContact O-CB 3.31Å; V788-A797 WeakPolarHBondContact O-CB 3.31Å; V788-D798 PolarHBondContact N-O 3Å; V788-D798 PolarHBondContact O-N 2.8Å; V788-Y800 HydrophobicContact CB-CD2 4.5Å; V788-Y800 HydrophobicContact CB-CE2 3.96Å; V788-Y800 HydrophobicContact CG2-CD2 3.83Å; V788-Y800 HydrophobicContact CG2-CE2 3.55Å
789V89.2Confident85.4Confident6 Ų644 Ų444%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-83.2128.2176.2-175.40000108.8F748 R763 V766 T795 T796 A797F748-V789 HydrophobicContact CE2-CG1 4.41Å; F748-V789 HydrophobicContact CZ-CG2 4.41Å; R763-V789 HydrophobicContact CB-CB 3.97Å; R763-V789 WeakPolarHBondContact CD-O 3.36Å; R763-V789 HydrophobicContact CG-CB 4.16Å; R763-V789 HydrophobicContact CG-CG1 4.18Å; R763-V789 WeakPolarHBondContact O-CG2 3.25Å; V766-V789 HydrophobicContact CB-CG2 4.18Å; V766-V789 HydrophobicContact CG1-CG2 3.91Å; V789-T795 HydrophobicContact CG1-CG2 3.69Å; V789-T796 WeakPolarHBondContact CG1-O 3.44Å; V789-A797 HydrophobicContact CB-CB 4.47Å; V789-A797 HydrophobicContact CG2-CB 4.17Å
790N85.3Confident85.8Confident45 Ų4541.9 Ų41.924%0.24124%0.243CC..PPolyproline II helixtrans-76.9148.6-176.8-71.9-39.8000111.6T796 D798N790-T796 PolarHBondContact N-O 2.82Å; N790-T796 PolarHBondContact ND2-OG1 2.83Å; N790-D798 PolarHBondContact ND2-OD2 3.05Å
791P79.9Confident85.9Confident84 Ų8441.5 Ų41.555%0.54524%0.241SC..SBendtrans-70.8146.1174.129.3-33.5000111.5
792G78.2Confident85.8Confident29 Ų2939.4 Ų39.430%0.29923%0.227SC..SBendtrans98.8-177.2176.800000116N756 N758N756-G792 PolarHBondContact ND2-O 2.88Å; N758-G792 PolarHBondContact OD1-N 2.99Å; N758-G792 VanDerWaalsContact OD1-N 3.16Å
793L79.9Confident85.3Confident119 Ų11937 Ų3762%0.62322%0.22SC*.SBendtrans-123.5138.9-179.9-65.7176.9000110D753 N756D753-L793 HydrophobicContact CB-CD2 3.86Å; N756-L793 HydrophobicContact CB-CD2 4.11Å
794P86.4Confident84.5Confident94 Ų9433.9 Ų33.961%0.6120%0.203SC*.SBendcis-69.4150.70.130.6-35.7000112.8T796P794-T796 PolarHBondContact O-N 2.7Å
795T89.4Confident83.2Confident2 Ų240.3 Ų40.31%0.01224%0.237CC..  trans-67.6119.7-178.1-45.60000109.7F748 L752 D753 N756 W762 V789F748-T795 HydrophobicContact CD2-CG2 3.84Å; F748-T795 WeakPolarHBondContact CD2-O 3.37Å; F748-T795 HydrophobicContact CE2-CG2 4.21Å; L752-T795 HydrophobicContact CD2-CG2 3.83Å; L752-T795 HydrophobicContact CG-CG2 4.48Å; D753-T795 WeakPolarHBondContact OD1-CB 3.43Å; D753-T795 PolarHBondContact OD1-N 2.89Å; D753-T795 PolarHBondContact OD1-OG1 3.39Å; N756-T795 PolarHBondContact ND2-OG1 3Å; W762-T795 HydrophobicContact CH2-CG2 4.47Å; V789-T795 HydrophobicContact CG1-CG2 3.69Å
796T91Very high81.2Confident49 Ų4946.1 Ų46.130%0.30128%0.278SS..EExtended strand (participates in β ladder)trans-124.7162.9175.259.70000109.9L746 V789 N790 P794L746-T796 WeakPolarHBondContact O-CA 3.46Å; V789-T796 WeakPolarHBondContact CG1-O 3.44Å; N790-T796 PolarHBondContact N-O 2.82Å; N790-T796 PolarHBondContact ND2-OG1 2.83Å; P794-T796 PolarHBondContact O-N 2.7Å
797A90.1Very high79Confident1 Ų152.3 Ų52.31%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-142.8153.4173.900000110.9L746 F748 T787 V788 V789L746-A797 WeakPolarHBondContact CA-O 3.38Å; L746-A797 HydrophobicContact CB-CB 4.24Å; L746-A797 WeakPolarHBondContact CB-O 3.28Å; L746-A797 PolarHBondContact N-O 2.93Å; L746-A797 PolarHBondContact O-N 3.22Å; F748-A797 HydrophobicContact CE2-CB 3.54Å; F748-A797 HydrophobicContact CZ-CB 3.79Å; T787-A797 HydrophobicContact CG2-CB 3.88Å; V788-A797 CarbonylContact O-C 3.56Å; V788-A797 WeakPolarHBondContact O-CA 3.32Å; V788-A797 VanDerWaalsContact O-CB 3.31Å; V788-A797 WeakPolarHBondContact O-CB 3.31Å; V789-A797 HydrophobicContact CB-CB 4.47Å; V789-A797 HydrophobicContact CG2-CB 4.17Å
798D89.8Confident76.8Confident37 Ų3758.6 Ų58.620%0.19834%0.343CS..EExtended strand (participates in β ladder)trans-110.3121.6171.8-69.7-46.5000108.9I743 V788 N790 Y800I743-D798 HydrophobicContact CG2-CB 3.82Å; V788-D798 PolarHBondContact N-O 3Å; V788-D798 PolarHBondContact O-N 2.8Å; N790-D798 PolarHBondContact ND2-OD2 3.05Å; D798-Y800 HydrophobicContact CB-CD2 4.49Å; D798-Y800 HydrophobicContact CB-CE2 3.79Å; D798-Y800 WeakPolarHBondContact O-CD2 3.38Å
799L89.4Confident74.2Confident0 Ų061.4 Ų61.40%037%0.368CS..EExtended strand (participates in β ladder)trans-94.6114.4175.4175.870.6000109.6I743 I744 L746 L774 L785 T787 V822I743-L799 CarbonylContact C-O 3.6Å; I743-L799 WeakPolarHBondContact CA-O 3.15Å; I744-L799 HydrophobicContact CB-CB 4.27Å; I744-L799 HydrophobicContact CB-CD2 4.46Å; I744-L799 HydrophobicContact CD1-CD2 4.37Å; I744-L799 PolarHBondContact N-O 2.87Å; I744-L799 WeakPolarHBondContact O-CB 3.43Å; I744-L799 PolarHBondContact O-N 3.4Å; L746-L799 HydrophobicContact CD1-CB 3.75Å; L746-L799 HydrophobicContact CD1-CD2 4.45Å; L746-L799 HydrophobicContact CG-CB 4.11Å; L774-L799 HydrophobicContact CD1-CD1 3.87Å; L774-L799 HydrophobicContact CD1-CD2 3.64Å; L774-L799 HydrophobicContact CD1-CG 4.38Å; L785-L799 HydrophobicContact CB-CD1 4.31Å; L785-L799 HydrophobicContact CD2-CD1 4.31Å; T787-L799 WeakPolarHBondContact OG1-CD1 3.41Å; L799-V822 HydrophobicContact CD2-CG1 3.54Å
800Y86.6Confident72Confident21 Ų2171.9 Ų71.98%0.08241%0.413CS..EExtended strand (participates in β ladder)trans-89.8120.3175.8-63.5-105.1000109.1I665 F741 Q742 I743 L785 V786 V788 D798I665-Y800 HydrophobicContact CB-CD1 3.99Å; I665-Y800 HydrophobicContact CB-CE1 4.1Å; I665-Y800 HydrophobicContact CB-CG 4.5Å; I665-Y800 HydrophobicContact CD1-CD1 4.06Å; I665-Y800 HydrophobicContact CD1-CD2 4.25Å; I665-Y800 HydrophobicContact CD1-CG 3.75Å; I665-Y800 HydrophobicContact CG2-CD1 3.81Å; I665-Y800 HydrophobicContact CG2-CE1 4.14Å; F741-Y800 AromaticContact CD2-CD1 3.54Å; F741-Y800 HydrophobicContact CD2-CD1 3.54Å; F741-Y800 HydrophobicContact CD2-CE1 4.13Å; F741-Y800 AromaticContact CE2-CD1 3.36Å; F741-Y800 HydrophobicContact CE2-CD1 3.36Å; F741-Y800 AromaticContact CE2-CE1 3.46Å; F741-Y800 HydrophobicContact CE2-CE1 3.46Å; F741-Y800 VanDerWaalsContact CE2-CE1 3.46Å; F741-Y800 HydrophobicContact CG-CD1 4.46Å; F741-Y800 HydrophobicContact CZ-CD1 4.16Å; F741-Y800 HydrophobicContact CZ-CE1 4.05Å; Q742-Y800 WeakPolarHBondContact O-CA 3.36Å; I743-Y800 HydrophobicContact CD1-CE1 4.06Å; I743-Y800 HydrophobicContact CG1-CD1 4.14Å; I743-Y800 HydrophobicContact CG1-CE1 4.01Å; L785-Y800 WeakPolarHBondContact CA-O 3.45Å; V786-Y800 PolarHBondContact N-O 3.14Å; V786-Y800 PolarHBondContact O-N 3.18Å; V788-Y800 HydrophobicContact CB-CD2 4.5Å; V788-Y800 HydrophobicContact CB-CE2 3.96Å; V788-Y800 HydrophobicContact CG2-CD2 3.83Å; V788-Y800 HydrophobicContact CG2-CE2 3.55Å; D798-Y800 HydrophobicContact CB-CD2 4.49Å; D798-Y800 HydrophobicContact CB-CE2 3.79Å; D798-Y800 WeakPolarHBondContact O-CD2 3.38Å
801V85.6Confident69.9Low0 Ų072.3 Ų72.30%043%0.429CS..EExtended strand (participates in β ladder)trans-99.8110.3172.9-173.50000108.3F741 Q742 I744 S784 L785F741-V801 WeakPolarHBondContact CB-O 3.21Å; Q742-V801 PolarHBondContact N-O 2.82Å; Q742-V801 PolarHBondContact O-N 2.79Å; I744-V801 HydrophobicContact CD1-CG2 3.91Å; I744-V801 HydrophobicContact CG1-CG2 4.5Å; S784-V801 WeakPolarHBondContact O-CA 3.45Å; L785-V801 HydrophobicContact CD2-CG1 4.35Å; L785-V801 HydrophobicContact CD2-CG2 3.97Å
802L82.3Confident68.2Low8 Ų873.6 Ų73.64%0.04244%0.44CS..  trans-94.1145.7-173.9-56.2175.5000111.3I665 Y738 F741 S784 V786I665-L802 HydrophobicContact CD1-CD1 4.48Å; I665-L802 HydrophobicContact CD1-CD2 4.22Å; Y738-L802 HydrophobicContact CD1-CD2 4.44Å; Y738-L802 HydrophobicContact CD2-CD2 3.88Å; Y738-L802 HydrophobicContact CE1-CD2 4.39Å; Y738-L802 HydrophobicContact CE2-CD1 4.09Å; Y738-L802 HydrophobicContact CE2-CD2 3.8Å; Y738-L802 HydrophobicContact CG-CD2 4.2Å; F741-L802 HydrophobicContact CB-CD2 4.07Å; S784-L802 PolarHBondContact O-N 3.38Å; V786-L802 HydrophobicContact CG2-CD1 3.74Å
803P73.1Confident66.7Low49 Ų4978.8 Ų78.832%0.31846%0.459SS..  trans-71.4144172.429-32.3000111.2N740 D805 V815N740-P803 VanDerWaalsContact O-CD 3.28Å; N740-P803 WeakPolarHBondContact O-CD 3.34Å; N740-P803 WeakPolarHBondContact O-CG 3.34Å; P803-D805 VanDerWaalsContact C-N 3.33Å; P803-D805 PolarHBondContact O-N 3.26Å; P803-V815 HydrophobicContact CB-CG2 4.15Å
804L62.8Low65.1Low84 Ų8478.7 Ų78.744%0.4446%0.459SS..SBendtrans-76.4-5.7-172.4-95.3138.3000115.8P781P781-L804 HydrophobicContact CB-CD2 4.12Å; P781-L804 HydrophobicContact CG-CD1 4.05Å; P781-L804 HydrophobicContact CG-CD2 3.94Å
805D54.9Low63.5Low137 Ų13776.2 Ų76.273%0.73344%0.442SS*.  trans-151.4138.2177.7-94.7-41.2000113.4P803P803-D805 VanDerWaalsContact C-N 3.33Å; P803-D805 PolarHBondContact O-N 3.26Å
806S45.8Very low61.8Low126 Ų12681 Ų8188%0.88147%0.467SS*.  trans-90.621.7178.253.50000114.2
807K40.8Very low60.4Low171 Ų17187 Ų8774%0.74349%0.489SS*.SBendtrans-104.1136.2172.7-71.7-175-180177.20111A809K807-A809 VanDerWaalsContact C-N 3.29Å; K807-A809 PolarHBondContact O-N 2.81Å
808P44.4Very low59.5Low143 Ų14388.8 Ų88.893%0.92950%0.497SS*.  trans-76.482.5178.732.2-32.2000109.4
809A34.2Very low58.8Low84 Ų8488.2 Ų88.269%0.69449%0.494SS*.  trans-116.9126.2170.300000109.4K807 G811K807-A809 VanDerWaalsContact C-N 3.29Å; K807-A809 PolarHBondContact O-N 2.81Å; A809-G811 PolarHBondContact O-N 2.91Å; A809-G811 VanDerWaalsContact O-N 3.08Å
810K41.8Very low58.2Low226 Ų22692 Ų9298%0.98352%0.518SS*.SBendtrans-42.6110.4178.6-69.6171.6175.6175.20111.8
811G41Very low57.8Low55 Ų5592.9 Ų92.957%0.56753%0.53SS*.  trans163.978.9169.200000114.2A809 I813A809-G811 PolarHBondContact O-N 2.91Å; A809-G811 VanDerWaalsContact O-N 3.08Å; G811-I813 PolarHBondContact O-N 2.98Å
812S44.5Very low57.6Low111 Ų11192.9 Ų92.978%0.77653%0.53SS*.THydrogen-bonded Turntrans-70.619169.781.70000113.8
813I46.9Very low57.6Low137 Ų13794.8 Ų94.870%0.70354%0.542SS*.THydrogen-bonded Turntrans-97.9-18.9-167.3-60.5171000112.2G811G811-I813 PolarHBondContact O-N 2.98Å
814L47.5Very low58Low118 Ų11897.6 Ų97.662%0.61855%0.551SS**SBendtrans-80.8-35.1-174-139.990.4000113.8D816L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 3.36Å
815V51.9Low58.9Low41 Ų4194 Ų9425%0.24853%0.533CS..G310 helixtrans-69.2-31.8-178.7-178.30000111.7P803 K817 H818 I819P803-V815 HydrophobicContact CB-CG2 4.15Å; V815-K817 PolarHBondContact O-N 2.99Å; V815-H818 PolarHBondContact O-N 2.9Å; V815-I819 HydrophobicContact CG1-CD1 4.03Å
816D54.6Low60.2Low103 Ų10387.6 Ų87.655%0.55150%0.499SS*.G310 helixtrans-66.3-18.2-178.7-96.1-12.2000114.4L814 P820L814-D816 VanDerWaalsContact C-N 3.33Å; L814-D816 PolarHBondContact O-N 3.36Å; D816-P820 WeakPolarHBondContact O-CD 3.47Å; D816-P820 WeakPolarHBondContact O-CG 3.43Å
817K60.4Low61.8Low175 Ų17584.5 Ų84.576%0.76148%0.478SS*.G310 helixtrans-83.3-25174.6-89.1-172.6175.5-179.20113.8V815V815-K817 PolarHBondContact O-N 2.99Å
818H70.5Confident63.6Low39 Ų3980.4 Ų80.418%0.18146%0.464CS..Hα-helixtrans-80.5-35.8-175.7-65.2178.1000112V780 V815 A821 V822V780-H818 HydrophobicContact CG1-CB 4.41Å; V780-H818 HydrophobicContact CG2-CB 3.88Å; V815-H818 PolarHBondContact O-N 2.9Å; H818-A821 PolarHBondContact O-N 2.87Å; H818-V822 WeakPolarHBondContact O-CG2 3.47Å; H818-V822 PolarHBondContact O-N 3.29Å
819I75.4Confident64.9Low24 Ų2479.6 Ų79.612%0.12345%0.446CS..Hα-helixtrans-63.6-48.8-177-64.8144.6000112.3Q742 I744 V815 A821 V822 V823Q742-I819 HydrophobicContact CB-CD1 4.35Å; Q742-I819 HydrophobicContact CG-CD1 4.06Å; Q742-I819 VanDerWaalsContact NE2-CD1 3.33Å; I744-I819 HydrophobicContact CD1-CG2 4.27Å; V815-I819 HydrophobicContact CG1-CD1 4.03Å; I819-A821 VanDerWaalsContact C-N 3.27Å; I819-A821 PolarHBondContact O-N 3.09Å; I819-V822 PolarHBondContact O-N 3.06Å; I819-V823 HydrophobicContact CG2-CG2 4.02Å; I819-V823 WeakPolarHBondContact O-CB 3.5Å; I819-V823 VanDerWaalsContact O-CG2 3.25Å; I819-V823 WeakPolarHBondContact O-CG2 3.4Å; I819-V823 PolarHBondContact O-N 2.69Å
820P78.3Confident66.8Low79 Ų7980.3 Ų80.351%0.51344%0.438SS..Hα-helixtrans-59.9-37.3176.8-23.834.4000112.6D816 Q824D816-P820 WeakPolarHBondContact O-CD 3.47Å; D816-P820 WeakPolarHBondContact O-CG 3.43Å; P820-Q824 WeakPolarHBondContact O-CB 3.42Å; P820-Q824 PolarHBondContact O-N 2.95Å
821A78.3Confident68.8Low40 Ų4069.6 Ų69.633%0.33139%0.392SS..Hα-helixtrans-65.8-42.1177.600000112.2H818 I819 A825H818-A821 PolarHBondContact O-N 2.87Å; I819-A821 VanDerWaalsContact C-N 3.27Å; I819-A821 PolarHBondContact O-N 3.09Å; A821-A825 WeakPolarHBondContact O-CB 3.48Å; A821-A825 PolarHBondContact O-N 3.38Å
822V81.3Confident71Confident0 Ų068.6 Ų68.60%038%0.376CS..Hα-helixtrans-67.4-48.7176.1170.60000111.3I744 L774 T778 V780 L785 L799 H818 I819 Q824 A825 V826I744-V822 HydrophobicContact CD1-CB 4.4Å; I744-V822 HydrophobicContact CD1-CG1 3.83Å; L774-V822 HydrophobicContact CD2-CG1 4.32Å; T778-V822 HydrophobicContact CG2-CG2 4.08Å; V780-V822 HydrophobicContact CG2-CG2 4.28Å; L785-V822 HydrophobicContact CD2-CG2 4.45Å; L799-V822 HydrophobicContact CD2-CG1 3.54Å; H818-V822 WeakPolarHBondContact O-CG2 3.47Å; H818-V822 PolarHBondContact O-N 3.29Å; I819-V822 PolarHBondContact O-N 3.06Å; V822-Q824 VanDerWaalsContact C-N 3.32Å; V822-Q824 PolarHBondContact O-N 2.67Å; V822-A825 PolarHBondContact O-N 3.35Å; V822-V826 WeakPolarHBondContact O-CG2 3.5Å; V822-V826 PolarHBondContact O-N 2.86Å
823V81.4Confident73.1Confident49 Ų4964.6 Ų64.630%0.29734%0.344SS..Hα-helixtrans-60.5-42.1178.4170.10000110.8I744 I819 S827 L845I744-V823 HydrophobicContact CD1-CG2 4.2Å; I819-V823 HydrophobicContact CG2-CG2 4.02Å; I819-V823 WeakPolarHBondContact O-CB 3.5Å; I819-V823 VanDerWaalsContact O-CG2 3.25Å; I819-V823 WeakPolarHBondContact O-CG2 3.4Å; I819-V823 PolarHBondContact O-N 2.69Å; V823-S827 VanDerWaalsContact O-CB 3.23Å; V823-S827 WeakPolarHBondContact O-CB 3.48Å; V823-S827 PolarHBondContact O-N 3.5Å; V823-S827 PolarHBondContact O-OG 3.41Å; V823-L845 HydrophobicContact CG1-CD1 3.84Å
824Q81.3Confident75Confident108 Ų10863.6 Ų63.651%0.50534%0.338SS..Hα-helixtrans-64.7-47.1175.9-172.166.331.100111.6P820 V822 V826 S827 D828P820-Q824 WeakPolarHBondContact O-CB 3.42Å; P820-Q824 PolarHBondContact O-N 2.95Å; V822-Q824 VanDerWaalsContact C-N 3.32Å; V822-Q824 PolarHBondContact O-N 2.67Å; Q824-V826 VanDerWaalsContact C-N 3.3Å; Q824-V826 PolarHBondContact O-N 2.92Å; Q824-S827 PolarHBondContact O-N 3.5Å; Q824-D828 VanDerWaalsContact NE2-CG 3.25Å; Q824-D828 PolarHBondContact NE2-OD1 2.94Å; Q824-D828 PolarHBondContact NE2-OD2 3.36Å; Q824-D828 WeakPolarHBondContact O-CB 3.49Å; Q824-D828 PolarHBondContact O-N 2.92Å
825A81.4Confident76.8Confident8 Ų859.5 Ų59.57%0.06632%0.318CS..Hα-helixtrans-61.7-36.2-18000000113.2T777 T778 A821 V822 N830T777-A825 HydrophobicContact CG2-CB 4.17Å; T778-A825 HydrophobicContact CG2-CB 3.62Å; A821-A825 WeakPolarHBondContact O-CB 3.48Å; A821-A825 PolarHBondContact O-N 3.38Å; V822-A825 PolarHBondContact O-N 3.35Å; A825-N830 WeakPolarHBondContact O-CB 3.38Å; A825-N830 PolarHBondContact O-N 3.04Å; A825-N830 VanDerWaalsContact O-N 3.16Å
826V82.9Confident78Confident2 Ų267.6 Ų67.61%0.01234%0.344CS..Hα-helixtrans-75.2-41.2175.1179.40000111.1L746 L774 V822 Q824 D828 K829 V831 L845L746-V826 HydrophobicContact CD2-CG1 4.24Å; L746-V826 HydrophobicContact CD2-CG2 4.4Å; L774-V826 HydrophobicContact CD2-CG2 3.73Å; V822-V826 WeakPolarHBondContact O-CG2 3.5Å; V822-V826 PolarHBondContact O-N 2.86Å; Q824-V826 VanDerWaalsContact C-N 3.3Å; Q824-V826 PolarHBondContact O-N 2.92Å; V826-D828 VanDerWaalsContact C-N 3.35Å; V826-D828 PolarHBondContact O-N 3.19Å; V826-K829 PolarHBondContact O-N 3.45Å; V826-K829 VanDerWaalsContact O-N 3.08Å; V826-V831 HydrophobicContact CG2-CG2 4.29Å; V826-L845 HydrophobicContact CB-CD2 4.42Å; V826-L845 HydrophobicContact CB-CG 4.35Å; V826-L845 HydrophobicContact CG1-CD2 4.16Å; V826-L845 HydrophobicContact CG1-CG 3.9Å
827S79.1Confident78.7Confident62 Ų6266.5 Ų66.543%0.43436%0.357SS..Hα-helixtrans-64.3-37.8179.2-61.90000112.7V823 Q824 K829 L845V823-S827 VanDerWaalsContact O-CB 3.23Å; V823-S827 WeakPolarHBondContact O-CB 3.48Å; V823-S827 PolarHBondContact O-N 3.5Å; V823-S827 PolarHBondContact O-OG 3.41Å; Q824-S827 PolarHBondContact O-N 3.5Å; S827-K829 PolarHBondContact O-N 3.47Å; S827-L845 VanDerWaalsContact OG-CD1 3.27Å; S827-L845 WeakPolarHBondContact OG-CD1 3.28Å
828D79.1Confident79.4Confident85 Ų8560.7 Ų60.746%0.45535%0.347SS..THydrogen-bonded Turntrans-75.32.2176.6-68-17.9000112.8Q824 V826 N830Q824-D828 VanDerWaalsContact NE2-CG 3.25Å; Q824-D828 PolarHBondContact NE2-OD1 2.94Å; Q824-D828 PolarHBondContact NE2-OD2 3.36Å; Q824-D828 WeakPolarHBondContact O-CB 3.49Å; Q824-D828 PolarHBondContact O-N 2.92Å; V826-D828 VanDerWaalsContact C-N 3.35Å; V826-D828 PolarHBondContact O-N 3.19Å; D828-N830 PolarHBondContact O-N 3.46Å
829K71.9Confident80.1Confident126 Ų12661.9 Ų61.955%0.54835%0.354SS..THydrogen-bonded Turntrans58.227.5-178.2-57.4178.6-178.1174.90113.7V826 S827 V831 L842V826-K829 PolarHBondContact O-N 3.45Å; V826-K829 VanDerWaalsContact O-N 3.08Å; S827-K829 PolarHBondContact O-N 3.47Å; K829-V831 PolarHBondContact O-N 3.44Å; K829-L842 HydrophobicContact CB-CD2 4.44Å
830N72.9Confident80.6Confident99 Ų9968 Ų6853%0.52938%0.376SS..  trans-75.4-12.6179.7-73-26000112.9T777 A825 D828T777-N830 HydrophobicContact CG2-CB 4.07Å; A825-N830 WeakPolarHBondContact O-CB 3.38Å; A825-N830 PolarHBondContact O-N 3.04Å; A825-N830 VanDerWaalsContact O-N 3.16Å; D828-N830 PolarHBondContact O-N 3.46Å
831V83.8Confident81.1Confident1 Ų164.2 Ų64.21%0.00635%0.351CS..  trans-100.3102.9-179.4-171.60000109.7L773 L774 V826 K829 V843L773-V831 HydrophobicContact CB-CG1 4.14Å; L774-V831 HydrophobicContact CD2-CG1 4.43Å; L774-V831 HydrophobicContact CD2-CG2 3.69Å; L774-V831 HydrophobicContact CG-CG1 4.4Å; L774-V831 HydrophobicContact CG-CG2 4.43Å; V826-V831 HydrophobicContact CG2-CG2 4.29Å; K829-V831 PolarHBondContact O-N 3.44Å; V831-V843 HydrophobicContact CB-CB 4.21Å; V831-V843 HydrophobicContact CG1-CB 3.97Å; V831-V843 HydrophobicContact CG1-CG2 3.82Å; V831-V843 PolarHBondContact O-N 2.9Å; V831-V843 VanDerWaalsContact O-N 3.14Å
832S87.4Confident81.6Confident34 Ų3464.7 Ų64.724%0.23835%0.348CS..EExtended strand (participates in β ladder)trans-143.5147.7176.973.90000111.6V841S832-V841 WeakPolarHBondContact CA-O 3.5Å; S832-V841 WeakPolarHBondContact CB-O 3.23Å
833F89.5Confident82Confident26 Ų2664.7 Ų64.711%0.11435%0.348CS..EExtended strand (participates in β ladder)trans-135.6161.7175.666.2-81.8000110.9F748 L752 V766 V769 V770 L773 V835 V841 V843F748-F833 HydrophobicContact CD1-CE1 4.25Å; F748-F833 HydrophobicContact CE1-CE1 4.18Å; L752-F833 HydrophobicContact CD1-CE2 4.24Å; L752-F833 HydrophobicContact CD1-CZ 4.02Å; L752-F833 HydrophobicContact CD2-CZ 4.28Å; V766-F833 HydrophobicContact CG1-CZ 4.14Å; V769-F833 HydrophobicContact CG1-CB 4.03Å; V769-F833 HydrophobicContact CG1-CD2 4.35Å; V769-F833 HydrophobicContact CG1-CG 4.09Å; V770-F833 HydrophobicContact CG2-CE1 4.26Å; L773-F833 HydrophobicContact CD1-CB 3.85Å; F833-V835 HydrophobicContact CD2-CG2 3.88Å; F833-V835 HydrophobicContact CE2-CG2 3.51Å; F833-V835 HydrophobicContact CZ-CG2 4.43Å; F833-V841 HydrophobicContact CD1-CB 4.22Å; F833-V841 HydrophobicContact CD1-CG1 4.29Å; F833-V841 HydrophobicContact CE1-CB 3.88Å; F833-V841 HydrophobicContact CE1-CG1 3.55Å; F833-V841 HydrophobicContact CE2-CB 4.22Å; F833-V841 HydrophobicContact CE2-CG1 4.47Å; F833-V841 HydrophobicContact CZ-CB 3.89Å; F833-V841 HydrophobicContact CZ-CG1 3.66Å; F833-V841 HydrophobicContact CZ-CG2 4.44Å; F833-V841 PolarHBondContact N-O 3.34Å; F833-V841 PolarHBondContact O-N 2.93Å; F833-V843 HydrophobicContact CD1-CG2 4.48Å; F833-V843 HydrophobicContact CE1-CG2 4.3Å
834M86.8Confident82.2Confident117 Ų11765.3 Ų65.358%0.57635%0.348SS*.EExtended strand (participates in β ladder)trans-100133.1-177.6-63.4-70.1-78.500109.5G838 R840M834-G838 WeakPolarHBondContact CE-O 3.49Å; M834-R840 HydrophobicContact SD-CB 3.99Å; M834-R840 HydrophobicContact SD-CG 4.42Å
835V83.9Confident82.4Confident31 Ų3163 Ų6319%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-109171172.6-172.10000108.7L752 F755 F833 G837 G838 L839 V841L752-V835 HydrophobicContact CD1-CG2 4.13Å; F755-V835 HydrophobicContact CB-CG1 4.18Å; F755-V835 HydrophobicContact CD2-CG1 3.78Å; F755-V835 HydrophobicContact CE2-CG1 4.39Å; F755-V835 HydrophobicContact CG-CG1 4.06Å; F833-V835 HydrophobicContact CD2-CG2 3.88Å; F833-V835 HydrophobicContact CE2-CG2 3.51Å; F833-V835 HydrophobicContact CZ-CG2 4.43Å; V835-G837 PolarHBondContact O-N 2.98Å; V835-G838 PolarHBondContact O-N 2.94Å; V835-L839 PolarHBondContact N-O 2.68Å; V835-V841 HydrophobicContact CB-CG2 4.33Å; V835-V841 HydrophobicContact CG2-CB 4.29Å; V835-V841 HydrophobicContact CG2-CG2 3.44Å; V835-V841 VanDerWaalsContact CG2-CG2 3.44Å
836R77.9Confident82.4Confident212 Ų21263.8 Ų63.880%0.835%0.346SS*.THydrogen-bonded Turntrans-45.1133.2-177.8-160.6174.5-176.9-179.90.9112
837G70.1Confident81.6Confident79 Ų7968.9 Ų68.981%0.81437%0.373SS*.THydrogen-bonded Turntrans84.913.5179.800000115.7V835 L839V835-G837 PolarHBondContact O-N 2.98Å; G837-L839 VanDerWaalsContact C-N 3.31Å; G837-L839 PolarHBondContact O-N 3.37Å
838G74.9Confident80.2Confident54 Ų5471.5 Ų71.556%0.55739%0.388SS*.THydrogen-bonded Turntrans79.712.2176.700000114.1M834 V835M834-G838 WeakPolarHBondContact CE-O 3.49Å; V835-G838 PolarHBondContact O-N 2.94Å
839L83.8Confident78.6Confident64 Ų6473.8 Ų73.834%0.33540%0.401SS..EExtended strand (participates in β ladder)trans-80124.1179.9-71.4167.3000110.1F755 V835 G837F755-L839 HydrophobicContact CE2-CD1 3.72Å; F755-L839 HydrophobicContact CZ-CD1 3.94Å; V835-L839 PolarHBondContact N-O 2.68Å; G837-L839 VanDerWaalsContact C-N 3.31Å; G837-L839 PolarHBondContact O-N 3.37Å
840R86.4Confident77.4Confident151 Ų15171.3 Ų71.357%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-81.2129.9176.2-173179.6-69-152.81.2110.2N751 M834N751-R840 PolarHBondContact ND2-O 3.41Å; M834-R840 HydrophobicContact SD-CB 3.99Å; M834-R840 HydrophobicContact SD-CG 4.42Å
841V89Confident75.9Confident0 Ų069.7 Ų69.70%041%0.41CS..EExtended strand (participates in β ladder)trans-103.1127.4169.9175.60000109F748 S749 N751 L752 S832 F833 V835F748-V841 HydrophobicContact CB-CG1 4.25Å; F748-V841 HydrophobicContact CD1-CG1 4.02Å; S749-V841 WeakPolarHBondContact OG-CA 3.31Å; N751-V841 HydrophobicContact CB-CG2 4.08Å; L752-V841 HydrophobicContact CB-CG1 3.95Å; L752-V841 HydrophobicContact CB-CG2 3.97Å; L752-V841 HydrophobicContact CD1-CG2 4.27Å; L752-V841 HydrophobicContact CD2-CG1 4.33Å; S832-V841 WeakPolarHBondContact CA-O 3.5Å; S832-V841 WeakPolarHBondContact CB-O 3.23Å; F833-V841 HydrophobicContact CD1-CB 4.22Å; F833-V841 HydrophobicContact CD1-CG1 4.29Å; F833-V841 HydrophobicContact CE1-CB 3.88Å; F833-V841 HydrophobicContact CE1-CG1 3.55Å; F833-V841 HydrophobicContact CE2-CB 4.22Å; F833-V841 HydrophobicContact CE2-CG1 4.47Å; F833-V841 HydrophobicContact CZ-CB 3.89Å; F833-V841 HydrophobicContact CZ-CG1 3.66Å; F833-V841 HydrophobicContact CZ-CG2 4.44Å; F833-V841 PolarHBondContact N-O 3.34Å; F833-V841 PolarHBondContact O-N 2.93Å; V835-V841 HydrophobicContact CB-CG2 4.33Å; V835-V841 HydrophobicContact CG2-CB 4.29Å; V835-V841 HydrophobicContact CG2-CG2 3.44Å; V835-V841 VanDerWaalsContact CG2-CG2 3.44Å
842L88.1Confident73.5Confident50 Ų5079.9 Ų79.926%0.26245%0.45SS..EExtended strand (participates in β ladder)trans-99.3135.4175-66.5164.7000109.4F748 S749 K829F748-L842 WeakPolarHBondContact CA-O 3.48Å; S749-L842 PolarHBondContact N-O 2.98Å; S749-L842 PolarHBondContact OG-N 2.66Å; K829-L842 HydrophobicContact CB-CD2 4.44Å
843V89.4Confident70.8Confident0 Ų086.2 Ų86.20%048%0.476CS..EExtended strand (participates in β ladder)trans-94.6127.6169.8-172.10000107.8L746 F748 V770 V831 F833L746-V843 HydrophobicContact CB-CG1 4.23Å; L746-V843 HydrophobicContact CD1-CG1 3.94Å; L746-V843 HydrophobicContact CD2-CG1 4.25Å; L746-V843 HydrophobicContact CG-CG1 4.38Å; F748-V843 HydrophobicContact CD1-CG2 4.04Å; F748-V843 HydrophobicContact CE1-CG1 4.42Å; F748-V843 HydrophobicContact CE1-CG2 3.84Å; V770-V843 HydrophobicContact CG1-CG1 4.42Å; V770-V843 HydrophobicContact CG1-CG2 4.45Å; V770-V843 HydrophobicContact CG2-CG2 4.14Å; V831-V843 HydrophobicContact CB-CB 4.21Å; V831-V843 HydrophobicContact CG1-CB 3.97Å; V831-V843 HydrophobicContact CG1-CG2 3.82Å; V831-V843 PolarHBondContact O-N 2.9Å; V831-V843 VanDerWaalsContact O-N 3.14Å; F833-V843 HydrophobicContact CD1-CG2 4.48Å; F833-V843 HydrophobicContact CE1-CG2 4.3Å
844M86.9Confident68.2Low62 Ų6288.6 Ų88.631%0.30551%0.507SS..EExtended strand (participates in β ladder)trans-129.7156.1-175.9-61.6175.4-64.800109.6L746 S747 A846L746-M844 CarbonylContact C-O 3.54Å; L746-M844 WeakPolarHBondContact CA-O 3.37Å; S747-M844 PolarHBondContact N-O 3.14Å; S747-M844 PolarHBondContact O-N 3.17Å; S747-M844 PolarHBondContact OG-O 2.82Å; M844-A846 PolarHBondContact O-N 3.34Å
845L86.1Confident65.9Low60 Ų6087.8 Ų87.831%0.31452%0.52SS..EExtended strand (participates in β ladder)trans-65.4132.1168.4-66.3169.2000108.6I744 L746 V823 V826 S827I744-L845 HydrophobicContact CG2-CD2 3.55Å; L746-L845 HydrophobicContact CD2-CD2 4.34Å; V823-L845 HydrophobicContact CG1-CD1 3.84Å; V826-L845 HydrophobicContact CB-CD2 4.42Å; V826-L845 HydrophobicContact CB-CG 4.35Å; V826-L845 HydrophobicContact CG1-CD2 4.16Å; V826-L845 HydrophobicContact CG1-CG 3.9Å; S827-L845 VanDerWaalsContact OG-CD1 3.27Å; S827-L845 WeakPolarHBondContact OG-CD1 3.28Å
846A80.4Confident63.6Low25 Ų2590.7 Ų90.721%0.20755%0.547CS..PPolyproline II helixtrans-73.6136.7172.500000109.3P745 M844 P848P745-A846 HydrophobicContact CB-CB 3.96Å; P745-A846 HydrophobicContact CG-CB 4.38Å; P745-A846 PolarHBondContact O-N 2.97Å; M844-A846 PolarHBondContact O-N 3.34Å; A846-P848 WeakPolarHBondContact O-CD 3.19Å
847D66.4Low61.6Low109 Ų10982.3 Ų82.358%0.58353%0.526SS*.PPolyproline II helixtrans-70.7121.2175.1-170-13.9000108.7N849 A850D847-N849 PolarHBondContact O-N 2.84Å; D847-N849 PolarHBondContact OD1-N 2.92Å; D847-A850 HydrophobicContact CB-CB 4.02Å; D847-A850 PolarHBondContact O-N 2.84Å
848P50.2Low60.5Low116 Ų11680.7 Ų80.775%0.75351%0.509SS*.THydrogen-bonded Turntrans-60.2-13.7-174.920.3-31.2000114.1A846A846-P848 WeakPolarHBondContact O-CD 3.19Å
849N45.5Very low59.3Low133 Ų13384.1 Ų84.171%0.71152%0.522SS*.THydrogen-bonded Turntrans-107.12.4177.6-73.8-25.8000114.9D847 G851D847-N849 PolarHBondContact O-N 2.84Å; D847-N849 PolarHBondContact OD1-N 2.92Å; N849-G851 PolarHBondContact O-N 3.26Å
850A45.3Very low57.8Low74 Ų7483.5 Ų83.561%0.61253%0.531SS*.  trans-75.5-6.2-178.200000114.2D847D847-A850 HydrophobicContact CB-CB 4.02Å; D847-A850 PolarHBondContact O-N 2.84Å
851G41.7Very low56.3Low65 Ų6580.4 Ų80.467%0.6753%0.529SS*.SBendtrans-99.944-178.500000114.8N849N849-G851 PolarHBondContact O-N 3.26Å
852Y33.8Very low54.5Low216 Ų21689.5 Ų89.585%0.84756%0.563SS**  trans-16556.4160.9-116.2-79.6000112
853H30.8Very low52.9Low166 Ų16689.8 Ų89.877%0.76957%0.573SS**  trans-123.770.2164.1-73-47000110.4A855H853-A855 PolarHBondContact O-N 2.88Å; H853-A855 VanDerWaalsContact O-N 3.09Å
854G35Very low51.4Low76 Ų7695.6 Ų95.678%0.78460%0.603SS**SBendtrans-61.1105.115000000108.1A856G854-A856 PolarHBondContact O-N 2.71Å; G854-A856 VanDerWaalsContact O-N 3.08Å
855A38.7Very low50.2Low101 Ų10194.9 Ų94.984%0.83561%0.608SS**  trans20.875.8162.600000116.2H853 G857H853-A855 PolarHBondContact O-N 2.88Å; H853-A855 VanDerWaalsContact O-N 3.09Å; A855-G857 VanDerWaalsContact C-N 3.29Å; A855-G857 PolarHBondContact O-N 2.98Å
856A35.2Very low49.5Very low91 Ų9195.8 Ų95.875%0.75262%0.615SS**  trans-73.290.1161.700000108.2G854G854-A856 PolarHBondContact O-N 2.71Å; G854-A856 VanDerWaalsContact O-N 3.08Å
857G36Very low49Very low36 Ų3699.8 Ų99.837%0.37163%0.632SS.*  trans-56.5136.6167.900000110.3A855A855-G857 VanDerWaalsContact C-N 3.29Å; A855-G857 PolarHBondContact O-N 2.98Å
858G47.5Very low49.3Very low45 Ų45101.5 Ų101.546%0.46463%0.634SS.*  trans-57.7174.3176.700000113.4G860 V861G858-G860 PolarHBondContact O-N 2.7Å; G858-V861 PolarHBondContact O-N 3.4Å
859P48.8Very low50.4Low127 Ų127101.3 Ų101.383%0.82563%0.626SS**Hα-helixtrans-56.3-13.9-167.6-23.332.1000116.1
860G53Low51.8Low51 Ų51100.4 Ų100.453%0.52662%0.62SS.*Hα-helixtrans-77.7-19.6175.300000115.6G858G858-G860 PolarHBondContact O-N 2.7Å
861V55.1Low53.1Low85 Ų8599.6 Ų99.652%0.51561%0.611SS.*Hα-helixtrans-82.4-32.6-177.8-177.20000111.7G858 A863 L864 A865G858-V861 PolarHBondContact O-N 3.4Å; V861-A863 VanDerWaalsContact C-N 3.32Å; V861-A863 PolarHBondContact O-N 3.25Å; V861-L864 PolarHBondContact O-N 3.08Å; V861-A865 WeakPolarHBondContact O-CB 3.45Å; V861-A865 PolarHBondContact O-N 3.23Å
862W50.7Low54.7Low191 Ų191100.1 Ų100.172%0.72360%0.6SS**Hα-helixtrans-63.6-35.2175.9-81.394.8000112.8V866W862-V866 WeakPolarHBondContact O-CB 3.5Å; W862-V866 VanDerWaalsContact O-CG2 3.23Å; W862-V866 WeakPolarHBondContact O-CG2 3.5Å; W862-V866 PolarHBondContact O-N 3.09Å; W862-V866 VanDerWaalsContact O-N 3.07Å
863A55.3Low56.8Low56 Ų5694.7 Ų94.746%0.46359%0.585SS.*Hα-helixtrans-66.1-40.3175.200000112.1V861 I867V861-A863 VanDerWaalsContact C-N 3.32Å; V861-A863 PolarHBondContact O-N 3.25Å; A863-I867 WeakPolarHBondContact O-CB 3.4Å; A863-I867 WeakPolarHBondContact O-CD1 3.36Å; A863-I867 WeakPolarHBondContact O-CG1 3.44Å; A863-I867 PolarHBondContact O-N 2.97Å; A863-I867 VanDerWaalsContact O-N 3.08Å
864L57.4Low59Low122 Ų12288.9 Ų88.964%0.63957%0.57SS**Hα-helixtrans-73.1-36.1178.6-70171.3000112.4V861 I867 F868V861-L864 PolarHBondContact O-N 3.08Å; L864-I867 PolarHBondContact O-N 3.46Å; L864-F868 VanDerWaalsContact O-CB 3.31Å; L864-F868 WeakPolarHBondContact O-CB 3.22Å; L864-F868 PolarHBondContact O-N 2.88Å
865A60.3Low60.9Low48 Ų4889 Ų8940%0.39756%0.556SS.*Hα-helixtrans-66.8-39.1175.500000112.1V861 F868 L869V861-A865 WeakPolarHBondContact O-CB 3.45Å; V861-A865 PolarHBondContact O-N 3.23Å; A865-F868 PolarHBondContact O-N 3.08Å; A865-L869 WeakPolarHBondContact O-CB 3.33Å; A865-L869 PolarHBondContact O-N 3.35Å
866V71.3Confident62.5Low78 Ų7885.7 Ų85.747%0.47353%0.531SS..Hα-helixtrans-69.2-40.4175.9172.70000111.2W862 F868 L869 I870W862-V866 WeakPolarHBondContact O-CB 3.5Å; W862-V866 VanDerWaalsContact O-CG2 3.23Å; W862-V866 WeakPolarHBondContact O-CG2 3.5Å; W862-V866 PolarHBondContact O-N 3.09Å; W862-V866 VanDerWaalsContact O-N 3.07Å; V866-F868 VanDerWaalsContact C-N 3.34Å; V866-F868 PolarHBondContact O-N 2.96Å; V866-L869 PolarHBondContact O-N 3.38Å; V866-I870 HydrophobicContact CG1-CD1 3.76Å; V866-I870 HydrophobicContact CG1-CG1 4.45Å; V866-I870 WeakPolarHBondContact O-CB 3.39Å; V866-I870 WeakPolarHBondContact O-CD1 3.4Å; V866-I870 WeakPolarHBondContact O-CG1 3.49Å; V866-I870 PolarHBondContact O-N 2.94Å
867I71.6Confident64.3Low110 Ų11084.8 Ų84.856%0.56452%0.519SS*.Hα-helixtrans-64.4-40.1174.2-68.1165.9000110.7A863 L864 I870 S871A863-I867 WeakPolarHBondContact O-CB 3.4Å; A863-I867 WeakPolarHBondContact O-CD1 3.36Å; A863-I867 WeakPolarHBondContact O-CG1 3.44Å; A863-I867 PolarHBondContact O-N 2.97Å; A863-I867 VanDerWaalsContact O-N 3.08Å; L864-I867 PolarHBondContact O-N 3.46Å; I867-I870 PolarHBondContact O-N 3.07Å; I867-S871 WeakPolarHBondContact O-CB 3.39Å; I867-S871 PolarHBondContact O-N 3.41Å; I867-S871 PolarHBondContact O-OG 3.08Å
868F71.4Confident66Low144 Ų14489.1 Ų89.163%0.63253%0.528SS*.Hα-helixtrans-65.5-44.2175.7-165.7-101.6000111.6L864 A865 V866 I870 S871 V872L864-F868 VanDerWaalsContact O-CB 3.31Å; L864-F868 WeakPolarHBondContact O-CB 3.22Å; L864-F868 PolarHBondContact O-N 2.88Å; A865-F868 PolarHBondContact O-N 3.08Å; V866-F868 VanDerWaalsContact C-N 3.34Å; V866-F868 PolarHBondContact O-N 2.96Å; F868-I870 PolarHBondContact O-N 2.95Å; F868-S871 WeakPolarHBondContact CA-OG 3.47Å; F868-S871 PolarHBondContact O-N 3.27Å; F868-S871 PolarHBondContact O-OG 3.46Å; F868-V872 HydrophobicContact CD1-CG2 4.05Å; F868-V872 HydrophobicContact CE1-CG2 3.83Å; F868-V872 HydrophobicContact CZ-CG2 4.2Å; F868-V872 WeakPolarHBondContact O-CG2 3.39Å; F868-V872 PolarHBondContact O-N 2.67Å
869L72.9Confident67.1Low112 Ų11291.8 Ų91.859%0.58653%0.531SS*.Hα-helixtrans-62.1-42.9176.9-129.397.2000112.2A865 V866 S871 V872 I873A865-L869 WeakPolarHBondContact O-CB 3.33Å; A865-L869 PolarHBondContact O-N 3.35Å; V866-L869 PolarHBondContact O-N 3.38Å; L869-S871 VanDerWaalsContact C-N 3.31Å; L869-S871 PolarHBondContact O-N 3.37Å; L869-V872 PolarHBondContact O-N 3.03Å; L869-I873 HydrophobicContact CD2-CD1 4.24Å; L869-I873 WeakPolarHBondContact O-CB 3.33Å; L869-I873 VanDerWaalsContact O-CG1 3.25Å; L869-I873 WeakPolarHBondContact O-CG1 3.38Å; L869-I873 PolarHBondContact O-N 3.27Å
870I76.4Confident67.8Low114 Ų11492 Ų9259%0.58552%0.524SS*.Hα-helixtrans-65.2-37.9176.8-67.7167.7000110.5V866 I867 F868 G874V866-I870 HydrophobicContact CG1-CD1 3.76Å; V866-I870 HydrophobicContact CG1-CG1 4.45Å; V866-I870 WeakPolarHBondContact O-CB 3.39Å; V866-I870 WeakPolarHBondContact O-CD1 3.4Å; V866-I870 WeakPolarHBondContact O-CG1 3.49Å; V866-I870 PolarHBondContact O-N 2.94Å; I867-I870 PolarHBondContact O-N 3.07Å; F868-I870 PolarHBondContact O-N 2.95Å; I870-G874 PolarHBondContact O-N 3.42Å
871S73.1Confident68.5Low58 Ų5896 Ų9641%0.40653%0.525SS..Hα-helixtrans-68.5-36.9176.973.40000113.1I867 F868 L869 G874 T875I867-S871 WeakPolarHBondContact O-CB 3.39Å; I867-S871 PolarHBondContact O-N 3.41Å; I867-S871 PolarHBondContact O-OG 3.08Å; F868-S871 WeakPolarHBondContact CA-OG 3.47Å; F868-S871 PolarHBondContact O-N 3.27Å; F868-S871 PolarHBondContact O-OG 3.46Å; L869-S871 VanDerWaalsContact C-N 3.31Å; L869-S871 PolarHBondContact O-N 3.37Å; S871-G874 PolarHBondContact O-N 3.16Å; S871-T875 PolarHBondContact O-N 3.25Å; S871-T875 PolarHBondContact O-OG1 3.42Å
872V75.4Confident68.6Low75 Ų7598.7 Ų98.746%0.45553%0.529SS..Hα-helixtrans-72-40.8177172.20000111.4F868 L869 G874 T875 G876F868-V872 HydrophobicContact CD1-CG2 4.05Å; F868-V872 HydrophobicContact CE1-CG2 3.83Å; F868-V872 HydrophobicContact CZ-CG2 4.2Å; F868-V872 WeakPolarHBondContact O-CG2 3.39Å; F868-V872 PolarHBondContact O-N 2.67Å; L869-V872 PolarHBondContact O-N 3.03Å; V872-G874 VanDerWaalsContact C-N 3.34Å; V872-T875 WeakPolarHBondContact CA-OG1 3.11Å; V872-T875 PolarHBondContact O-N 3.33Å; V872-T875 PolarHBondContact O-OG1 3.45Å; V872-G876 PolarHBondContact O-N 2.78Å
873I76.1Confident68.7Low103 Ų10397.5 Ų97.553%0.52853%0.529SS..Hα-helixtrans-67-38.2174.8-66.3167.6000110.6L869 S877L869-I873 HydrophobicContact CD2-CD1 4.24Å; L869-I873 WeakPolarHBondContact O-CB 3.33Å; L869-I873 VanDerWaalsContact O-CG1 3.25Å; L869-I873 WeakPolarHBondContact O-CG1 3.38Å; L869-I873 PolarHBondContact O-N 3.27Å; I873-S877 VanDerWaalsContact O-CB 3.27Å; I873-S877 WeakPolarHBondContact O-CB 3.01Å; I873-S877 PolarHBondContact O-N 2.92Å; I873-S877 PolarHBondContact O-OG 3.03Å
874G78.2Confident68.4Low43 Ų43104.1 Ų104.144%0.44355%0.548SS..Hα-helixtrans-64.7-43.4174.700000113.2I870 S871 V872 F878I870-G874 PolarHBondContact O-N 3.42Å; S871-G874 PolarHBondContact O-N 3.16Å; V872-G874 VanDerWaalsContact C-N 3.34Å; G874-F878 WeakPolarHBondContact O-CB 3.42Å; G874-F878 PolarHBondContact O-N 2.96Å
875T74.7Confident68Low80 Ų80107.6 Ų107.649%0.49155%0.552SS.*Hα-helixtrans-71.4-40.5176.229.40000112.4S871 V872 S877 F878 I879S871-T875 PolarHBondContact O-N 3.25Å; S871-T875 PolarHBondContact O-OG1 3.42Å; V872-T875 WeakPolarHBondContact CA-OG1 3.11Å; V872-T875 PolarHBondContact O-N 3.33Å; V872-T875 PolarHBondContact O-OG1 3.45Å; T875-S877 VanDerWaalsContact C-N 3.34Å; T875-S877 PolarHBondContact O-N 2.84Å; T875-F878 PolarHBondContact O-N 2.98Å; T875-I879 VanDerWaalsContact O-CG1 3.26Å; T875-I879 WeakPolarHBondContact O-CG1 3.27Å; T875-I879 PolarHBondContact O-N 2.84Å
876G72.9Confident67.1Low31 Ų31114 Ų11432%0.3257%0.571SS.*Hα-helixtrans-60.6-42.217400000112.6V872 I879 L880V872-G876 PolarHBondContact O-N 2.78Å; G876-I879 PolarHBondContact O-N 2.89Å; G876-L880 WeakPolarHBondContact O-CB 3.23Å; G876-L880 PolarHBondContact O-N 3.21Å
877S72.7Confident65.7Low72 Ų72117.9 Ų117.950%0.50359%0.589SS.*Hα-helixtrans-67.6-36.1176.2-59.50000112.5I873 T875 Y881I873-S877 VanDerWaalsContact O-CB 3.27Å; I873-S877 WeakPolarHBondContact O-CB 3.01Å; I873-S877 PolarHBondContact O-N 2.92Å; I873-S877 PolarHBondContact O-OG 3.03Å; T875-S877 VanDerWaalsContact C-N 3.34Å; T875-S877 PolarHBondContact O-N 2.84Å; S877-Y881 VanDerWaalsContact O-CB 3.23Å; S877-Y881 WeakPolarHBondContact O-CB 3.25Å; S877-Y881 PolarHBondContact O-N 3Å
878F72.2Confident64.1Low126 Ų126118.8 Ų118.855%0.55360%0.601SS**Hα-helixtrans-69.9-37.1175.6-173.3-101.1000112.7G874 T875 Y881 K882G874-F878 WeakPolarHBondContact O-CB 3.42Å; G874-F878 PolarHBondContact O-N 2.96Å; T875-F878 PolarHBondContact O-N 2.98Å; F878-Y881 PolarHBondContact O-N 2.79Å; F878-K882 HydrophobicContact CE1-CD 4.5Å; F878-K882 PolarHBondContact O-N 3.19Å
879I69.3Low62.4Low101 Ų101115.3 Ų115.352%0.51861%0.607SS.*Hα-helixtrans-68-44.9175.6-68.3167.4000110.6T875 G876 Y881 K882 F883T875-I879 VanDerWaalsContact O-CG1 3.26Å; T875-I879 WeakPolarHBondContact O-CG1 3.27Å; T875-I879 PolarHBondContact O-N 2.84Å; G876-I879 PolarHBondContact O-N 2.89Å; I879-Y881 PolarHBondContact O-N 2.87Å; I879-K882 PolarHBondContact O-N 2.84Å; I879-F883 HydrophobicContact CG2-CD2 4.35Å; I879-F883 PolarHBondContact O-N 3.21Å
880L63.3Low60.6Low131 Ų131117.4 Ų117.469%0.68662%0.618SS**Hα-helixtrans-62.2-39.6173.3-95.4149.8000112.3G876 F883 K884G876-L880 WeakPolarHBondContact O-CB 3.23Å; G876-L880 PolarHBondContact O-N 3.21Å; L880-F883 PolarHBondContact O-N 3.3Å; L880-K884 WeakPolarHBondContact O-CB 3.36Å; L880-K884 PolarHBondContact O-N 3.18Å; L880-K884 VanDerWaalsContact O-N 3.1Å
881Y67.3Low58.6Low137 Ų137122.6 Ų122.654%0.53763%0.63SS.*Hα-helixtrans-65.2-36.7175.5-176.5-97.4000112.7S877 F878 I879S877-Y881 VanDerWaalsContact O-CB 3.23Å; S877-Y881 WeakPolarHBondContact O-CB 3.25Å; S877-Y881 PolarHBondContact O-N 3Å; F878-Y881 PolarHBondContact O-N 2.79Å; I879-Y881 PolarHBondContact O-N 2.87Å
882K57.9Low56.8Low140 Ų140126.5 Ų126.561%0.60965%0.647SS**Hα-helixtrans-74.1-37.3175.2-96.5-152.2176.5-1770113.5F878 I879 K884 R885F878-K882 HydrophobicContact CE1-CD 4.5Å; F878-K882 PolarHBondContact O-N 3.19Å; I879-K882 PolarHBondContact O-N 2.84Å; K882-K884 VanDerWaalsContact C-N 3.33Å; K882-R885 PolarHBondContact O-N 3Å
883F53.5Low54.6Low166 Ų166131 Ų13173%0.72867%0.667SS**Hα-helixtrans-68-33.3177-106.8-88.1000112.2I879 L880 R885I879-F883 HydrophobicContact CG2-CD2 4.35Å; I879-F883 PolarHBondContact O-N 3.21Å; L880-F883 PolarHBondContact O-N 3.3Å; F883-R885 PolarHBondContact O-N 3.31Å
884K47.7Very low52.6Low195 Ų195136 Ų13685%0.84868%0.68SS**THydrogen-bonded Turntrans-71.8-10.1179.2-146.2177.1-174178.60114.5L880 K882L880-K884 WeakPolarHBondContact O-CB 3.36Å; L880-K884 PolarHBondContact O-N 3.18Å; L880-K884 VanDerWaalsContact O-N 3.1Å; K882-K884 VanDerWaalsContact C-N 3.33Å
885R49.2Very low50.4Low195 Ų195139 Ų13974%0.73670%0.701SS**THydrogen-bonded Turntrans-107.5-2.2-177-109.9-174.6176.6-175.30.3115.4K882 F883K882-R885 PolarHBondContact O-N 3Å; F883-R885 PolarHBondContact O-N 3.31Å
886K43Very low48.2Very low183 Ų183143 Ų14380%0.79671%0.714SS**SBendtrans-120.676.5176.5-84.4-166.1173.6-171.70111.1
887L41.3Very low46.2Very low160 Ų160150.7 Ų150.784%0.83874%0.744SS**  trans-161.6103.6156.3-99.5144.3000108.5
888P37.1Very low44.2Very low128 Ų128155.3 Ų155.383%0.83176%0.757SS**  trans-73.5137.7159-4.822.5000109.3
889G37Very low42.2Very low72 Ų72156.9 Ų156.974%0.74277%0.771SS**  trans-88.7-177.1-167.100000118
890N34.3Very low40.4Very low155 Ų155161.2 Ų161.283%0.82979%0.789SS**  trans75.4133.5169.4-78.2-15.7000116.7
891R34.9Very low38.9Very low223 Ų223164.3 Ų164.384%0.84280%0.797SS**  cis-164.3153.426-137.3170.4-179.7174.5-2.8112.2
892N34.1Very low37.2Very low140 Ų140167.1 Ų167.175%0.74982%0.815SS**  trans-38144.4173.6-54.8-22.1000118.9
893I30.5Very low35.8Very low170 Ų170169.6 Ų169.687%0.87283%0.829SS**  trans-139.6137.9133.8-62.8-172.9000109.3
894Y32.9Very low34.6Very low209 Ų209170.7 Ų170.782%0.8284%0.836SS**  trans-55.5142.7-176.6-88.1-113.5000115.5
895A32.3Very low33.7Very low105 Ų105170.3 Ų170.387%0.86884%0.84SS**  trans-144.8123.4140.600000109.2
896Q29.8Very low32.6Very low163 Ų163167.8 Ų167.876%0.76285%0.846SS**  trans-88.7122-175.9-177.2177.5-12.300107.7
897M29.6Very low31.9Very low194 Ų194164.1 Ų164.196%0.95684%0.844SS**  trans-124.9122.1165.9-95.5-172.9163.300109.2
898H30.9Very low31.5Very low169 Ų169162.1 Ų162.178%0.78284%0.84SS**PPolyproline II helixtrans-65.8131174.3-103.3-90.3000110.2
899N30.7Very low31Very low159 Ų159161.7 Ų161.785%0.8584%0.835SS**PPolyproline II helixtrans-78.4120.6158.2-96.2-10.9000108
900E30.6Very low30.4Very low191 Ų191164.5 Ų164.589%0.89383%0.833SS**PPolyproline II helixtrans-88.1128.3154.7-84.5-176.3157.400108.9
901K31.9Very low30.1Very low196 Ų196164.9 Ų164.985%0.85283%0.829SS**PPolyproline II helixtrans-77.7133170.6-80.4175.8169.9178.70108.5
902E31Very low29.8Very low196 Ų196158.4 Ų158.492%0.91682%0.819SS**PPolyproline II helixtrans-57134.8153.5-67.5173.8150.900109.7
903Q28.8Very low29.5Very low193 Ų193159.8 Ų159.890%0.90282%0.82SS**  trans-129.399168.5-158.2170.66.400106.9
904E29.8Very low29.4Very low188 Ų188158 Ų15888%0.87981%0.813SS**  trans-71.7149.4165.9-82.7-173150.400110.8
905M28.9Very low29.1Very low187 Ų187155 Ų15592%0.92182%0.817SS**  trans-53.9142.7178.7-74.3175.1-101.300114.1
906T25.9Very low28.9Very low142 Ų142158 Ų15887%0.87181%0.812SS**  trans-130.3111.9154.345.50000109.8
907S27.4Very low28.8Very low106 Ų106157.3 Ų157.374%0.74181%0.809SS**  trans-86.3143.9159.7168.70000109.4
908P33Very low28.7Very low118 Ų118154.4 Ų154.477%0.76680%0.796SS**  trans-98.5108.3169.632.2-22.5000112.7
909V26.2Very low28.5Very low120 Ų120152.9 Ų152.973%0.72779%0.792SS**  18.2139.5109.5-176.20000116.1
910N26Very low28.3Very low131 Ų131154.2 Ų154.270%0.70179%0.793SS**  cis-167.8162.410.9-127.6-9.2000109.9
911H26.9Very low28.1Very low162 Ų162148.2 Ų148.275%0.7578%0.783SS**  162.3106.3124.4-92.5-64.2000110.5
912S29.3Very low28Very low88 Ų88147.7 Ų147.762%0.61578%0.783SS**  62.5133.6102.862.90000113.9
913E27.6Very low27.9Very low168 Ų168146 Ų14679%0.78578%0.775SS**  cis-173.3154.625.8-123.4166.2-164.300109
914D27.8Very low27.7Very low133 Ų133145.2 Ų145.271%0.71177%0.769SS**  trans39.6127147.4-63.8-19.8000123.8
915T26.7Very low27.6Very low147 Ų147143.3 Ų143.390%0.90276%0.763SS**  171.4150.999.532.70000114
916Q28.9Very low27.8Very low166 Ų166141.1 Ų141.178%0.77676%0.756SS**  trans-79.8165.7175.6-64.2168.6-49.100113.3
917H27Very low28Very low149 Ų149141.8 Ų141.869%0.6975%0.754SS**  trans88.4116.5148.8-74.7-65.7000121.9
918I26.8Very low28.1Very low133 Ų133143.7 Ų143.768%0.68276%0.756SS**  74.8131.1118.1-68.2-179.6000121.6
919I28Very low27.9Very low137 Ų137146.6 Ų146.670%0.70376%0.764SS**  trans94.5117.4148.7-78.4162.2000122.3
920Q26.5Very low28.1Very low187 Ų187147.1 Ų147.187%0.87476%0.763SS**  trans48144.7136-60.9176.7-52.300125.1
921G26.3Very low28.2Very low65 Ų65146.5 Ų146.567%0.6777%0.768SS**  trans129.399.3149.500000111.8
922E30.1Very low28.2Very low185 Ų185146.3 Ų146.386%0.86477%0.768SS**  54.2131.588.9-72-179.2173.900111.7
923E27.3Very low28Very low161 Ų161147.9 Ų147.975%0.75277%0.774SS**  cis-174.6154.332.9-136.3176.7170.500108.8
924F26.3Very low27.8Very low176 Ų176148.2 Ų148.277%0.77278%0.78SS**  trans25.4143137.7-78-102.8000121.1
925I27.7Very low27.6Very low148 Ų148145.1 Ų145.176%0.75978%0.78SS**  -157.9127.276.9-78.5158.1000110.7
926D31.4Very low27.8Very low142 Ų142146 Ų14676%0.75978%0.78SS**  trans-81.5143.2148.8-80.6-43.5000108.7
927D30Very low27.5Very low156 Ų156146.9 Ų146.983%0.83478%0.783SS**  trans-127.3102.3159.5-106.6-13.9000108.8
928D31Very low27.6Very low146 Ų146145.4 Ų145.478%0.78179%0.789SS**  trans-76.4141159.4-86.2-37.4000109.6
929L27.7Very low27.4Very low178 Ų178142.3 Ų142.393%0.93279%0.791SS**  trans-132.7101.2151.8-161.677.3000110.1
930D30.3Very low27.2Very low131 Ų131141.7 Ų141.770%0.70179%0.793SS**  trans-62.5140.5169.8-98-35.9000112.7
931S28Very low27Very low118 Ų118140.4 Ų140.483%0.82579%0.791SS**  trans-138.6110.613960.70000109.9
932Q27.2Very low26.8Very low158 Ų158144.2 Ų144.274%0.73880%0.795SS**  trans-73137.7172.1-67.7176-11.500110.4
933T25.7Very low26.4Very low122 Ų122140.3 Ų140.375%0.74879%0.788SS**  171.9143103.535.70000113.2
934L23.7Very low26.3Very low174 Ų174139.5 Ų139.591%0.91179%0.787SS**  trans84.1106.6155.5-74.3143.9000119.9
935G23.3Very low26.2Very low69 Ų69137 Ų13771%0.71178%0.782SS**  trans143.393.1140.900000115.7H937G935-H937 PolarHBondContact O-N 3.21Å
936N30.3Very low26.1Very low166 Ų166134.2 Ų134.289%0.88878%0.776SS**  trans-48.3119.6160.8-109.4-9.1000110.9
937H23.8Very low26Very low183 Ų183132.1 Ų132.185%0.84776%0.757SS**  trans-145.4105.4153.7-91.8-75.6000109.6G935 G939G935-H937 PolarHBondContact O-N 3.21Å; H937-G939 PolarHBondContact O-N 3.47Å; H937-G939 VanDerWaalsContact O-N 3.14Å
938S27.3Very low25.8Very low118 Ų118131.1 Ų131.183%0.82575%0.748SS**  trans-64.599.3159.348.90000108.7
939G23.1Very low25.6Very low69 Ų69130.6 Ų130.671%0.71174%0.744SS**  trans-90.9105.517300000110.2H937 I941H937-G939 PolarHBondContact O-N 3.47Å; H937-G939 VanDerWaalsContact O-N 3.14Å; G939-I941 PolarHBondContact O-N 2.95Å
940V23.7Very low25.5Very low124 Ų124131 Ų13175%0.75274%0.741SS**  trans-67124.3166174.10000107.7L942V940-L942 HydrophobicContact CG1-CG 4.32Å; V940-L942 PolarHBondContact O-N 3.08Å
941I22.4Very low25.6Very low160 Ų160128 Ų12882%0.82174%0.74SS**  trans-75.9110.5173.4-62.8170.5000107.3G939G939-I941 PolarHBondContact O-N 2.95Å
942L21.9Very low25.4Very low144 Ų144131.5 Ų131.575%0.75474%0.737SS**  trans-110.398.9166.1-80.2164.4000107.6V940V940-L942 HydrophobicContact CG1-CG 4.32Å; V940-L942 PolarHBondContact O-N 3.08Å
943S21.6Very low25.2Very low103 Ų103132.3 Ų132.372%0.7275%0.745SS**  trans-82.8105.4163.258.70000107.9
944I26.2Very low25Very low144 Ų144130.7 Ų130.774%0.73874%0.739SS**  trans-101.6101169.1-62.5174000106.5S946I944-S946 PolarHBondContact O-N 2.9Å
945N24.4Very low25.1Very low124 Ų124131.1 Ų131.166%0.66376%0.756SS**  trans-70.6116167.4-83.1-20.2000108.1R947N945-R947 PolarHBondContact O-N 2.7Å
946S25.5Very low25.2Very low90 Ų90134.2 Ų134.263%0.62976%0.758SS**THydrogen-bonded Turntrans-74.223.4-179.2570000114.5I944I944-S946 PolarHBondContact O-N 2.9Å
947R29.8Very low25Very low97 Ų97132.5 Ų132.537%0.36675%0.751SS.*THydrogen-bonded Turntrans-100.30.8-168.4-108.9-173177.3174.47.4117.9R291 N945R291-R947 PolarHBondContact O-NH1 3.48Å; R291-R947 PolarHBondContact O-NH2 3.02Å; N945-R947 PolarHBondContact O-N 2.7Å
948E25.3Very low25Very low136 Ų136129.7 Ų129.764%0.63675%0.746SS**  trans-133.393.7174.4-68.4-170.6157.600110.7
949L27Very low24.9Very low135 Ų135130.4 Ų130.471%0.70774%0.742SS**  trans-108.752164.5-108.1147.2000109.9
950H26Very low25Very low187 Ų187134.3 Ų134.387%0.86674%0.743SS**SBendtrans-127.4103.7144.3-85.1-28.6000107.3
951G31.5Very low25.1Very low66 Ų66134.9 Ų134.968%0.6874%0.743SS**SBendtrans10353.6165.100000117.3
952Y22.8Very low25.3Very low193 Ų193133.1 Ų133.176%0.75774%0.737SS**  trans-138.583.3154.3-84.2-79.7000110.6
953L22.9Very low25.6Very low174 Ų174132.3 Ų132.391%0.91174%0.736SS**  trans-132.981.2154.1-85.8169.4000106.9
954S23.3Very low25.9Very low88 Ų88134.8 Ų134.862%0.61574%0.737SS**  trans-131.6107.5159.364.70000108.1
955S26.1Very low25.9Very low183 Ų183133.9 Ų133.9100%1.2874%0.737SS**  trans-78.30157.561.60000110.1

Retrieved 955 of 955 residues in 1165.7 ms (Link to these results)

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