A0A087YE59_POEFO Loading...

WASP like actin nucleation promoting factor

AlphaFold DB , UniProt , Accession A0A087YE59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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
1M30Very low35.5Very low233 Ų233137.4 Ų137.4100%1.14876%0.762SS**  0164.20-78.941.5167.300108
2T33.2Very low35.8Very low141 Ų141131.5 Ų131.587%0.86574%0.744SS**  trans-129.972.6176.1520000110.2
3E41.1Very low36Very low192 Ų192130 Ų13090%0.89774%0.743SS**  trans-128.1160.3160.5-65-160.4145.600107.2
4G41Very low36.4Very low67 Ų67130.5 Ų130.569%0.69175%0.75SS**  trans85.774.6-177.400000114.6
5L36.3Very low36.8Very low123 Ų123126.7 Ų126.764%0.64474%0.735SS**  trans-162.762.4137.6-144.275.6000111.2
6F36.3Very low37.3Very low99 Ų99121.4 Ų121.443%0.43471%0.707SS.*  trans-100.8104161.6-108.1-69000109.6Y8 N20 F24F6-Y8 PolarHBondContact O-N 2.95Å; F6-N20 HydrophobicContact CE1-CB 3.96Å; F6-N20 VanDerWaalsContact CE1-CG 3.42Å; F6-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N20 HydrophobicContact CE2-CB 3.57Å; F6-N20 HydrophobicContact CZ-CB 3.22Å; F6-N20 WeakPolarHBondContact CZ-ND2 3.33Å; F6-F24 HydrophobicContact CD2-CE2 4.4Å; F6-F24 HydrophobicContact CE2-CD2 4.27Å; F6-F24 AromaticContact CE2-CE2 3.33Å; F6-F24 HydrophobicContact CE2-CE2 3.33Å; F6-F24 AromaticContact CE2-CZ 3.88Å; F6-F24 HydrophobicContact CE2-CZ 3.88Å; F6-F24 AromaticContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CZ 4.01Å
7M37.2Very low37.8Very low158 Ų158121.8 Ų121.878%0.77870%0.701SS**  trans-59.8105.3164.5-69.2-73.3-76.100108.3L9M7-L9 PolarHBondContact O-N 2.98Å
8Y33.1Very low38.2Very low195 Ų195125 Ų12577%0.76570%0.699SS**  trans-64117.7162.1-118.6-104.1000107.4F6F6-Y8 PolarHBondContact O-N 2.95Å
9L33.8Very low39Very low92 Ų92122.8 Ų122.848%0.48269%0.686SS.*  trans-101.8120.4165.3-88171.3000108M7 G11M7-L9 PolarHBondContact O-N 2.98Å; L9-G11 PolarHBondContact O-N 2.96Å; L9-G11 VanDerWaalsContact O-N 3.11Å
10P33.5Very low39.9Very low131 Ų131118.2 Ų118.285%0.85166%0.66SS**THydrogen-bonded Turntrans-65.5114.4171.626.9-31.9000109
11G35.3Very low40.7Very low80 Ų80118.2 Ų118.283%0.82566%0.655SS**THydrogen-bonded Turntrans113.51.7172.300000117.5L9L9-G11 PolarHBondContact O-N 2.96Å; L9-G11 VanDerWaalsContact O-N 3.11Å
12A39.5Very low41.9Very low67 Ų67109.3 Ų109.355%0.55462%0.615SS**  trans-79.8132.2172.200000111.7T14A12-T14 PolarHBondContact O-N 3.33Å
13P38.1Very low43.2Very low112 Ų112103.5 Ų103.573%0.72758%0.579SS**  trans-74.792.4179.729.9-34.3000111.7S15P13-S15 PolarHBondContact O-N 3.23Å
14T42Very low44.1Very low137 Ų13798 Ų9884%0.8455%0.552SS**  trans21.962.3155.355.60000118.2A12 S16A12-T14 PolarHBondContact O-N 3.33Å; T14-S16 PolarHBondContact O-N 3.46Å
15S41.1Very low45.1Very low74 Ų74101.2 Ų101.252%0.51755%0.553SS.*  trans-64.5125.6144.4-179.10000106.7P13P13-S15 PolarHBondContact O-N 3.23Å
16S45.8Very low46.3Very low42 Ų42101.8 Ų101.829%0.29455%0.548SS..  trans-71148.9-164.978.30000111.5T14 R18 D19 N20T14-S16 PolarHBondContact O-N 3.46Å; S16-R18 PolarHBondContact O-N 3.49Å; S16-D19 VanDerWaalsContact CB-OD2 3.29Å; S16-D19 WeakPolarHBondContact CB-OD2 3.38Å; S16-D19 PolarHBondContact N-OD2 3.36Å; S16-D19 WeakPolarHBondContact O-CB 3.41Å; S16-D19 PolarHBondContact O-N 3.46Å; S16-D19 PolarHBondContact OG-N 3Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; S16-N20 PolarHBondContact O-N 3.41Å
17Q45.8Very low47.6Very low128 Ų12897.4 Ų97.460%0.59853%0.529SS*.Hα-helixtrans-50.6-29174.7-95.2155.9-46.200112.7N20 E21Q17-N20 VanDerWaalsContact O-CB 3.29Å; Q17-N20 WeakPolarHBondContact O-CB 3.36Å; Q17-E21 VanDerWaalsContact O-CG 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.16Å; Q17-E21 PolarHBondContact O-N 3.12Å
18R45.3Very low48.7Very low179 Ų17991.5 Ų91.568%0.67551%0.509SS*.Hα-helixtrans-68.6-40.7174.4-173.9-175.6-61.7121.72.5114.1S16 N20 S22S16-R18 PolarHBondContact O-N 3.49Å; R18-N20 VanDerWaalsContact C-N 3.26Å; R18-S22 VanDerWaalsContact O-CB 3.32Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.38Å
19D53.3Low49.9Very low84 Ų8494.2 Ų94.245%0.44952%0.518SS..Hα-helixtrans-65.3-40.6177.9-55-50.7000109.6S16 L23S16-D19 VanDerWaalsContact CB-OD2 3.29Å; S16-D19 WeakPolarHBondContact CB-OD2 3.38Å; S16-D19 PolarHBondContact N-OD2 3.36Å; S16-D19 WeakPolarHBondContact O-CB 3.41Å; S16-D19 PolarHBondContact O-N 3.46Å; S16-D19 PolarHBondContact OG-N 3Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; D19-L23 PolarHBondContact O-N 3.36Å
20N57.2Low51.7Low30 Ų3097 Ų9716%0.1653%0.526CS..Hα-helixtrans-59.5-57.5172.9-87.3-9.1000112.5F6 S16 Q17 R18 S22 L23 F24F6-N20 HydrophobicContact CE1-CB 3.96Å; F6-N20 VanDerWaalsContact CE1-CG 3.42Å; F6-N20 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N20 HydrophobicContact CE2-CB 3.57Å; F6-N20 HydrophobicContact CZ-CB 3.22Å; F6-N20 WeakPolarHBondContact CZ-ND2 3.33Å; S16-N20 PolarHBondContact O-N 3.41Å; Q17-N20 VanDerWaalsContact O-CB 3.29Å; Q17-N20 WeakPolarHBondContact O-CB 3.36Å; R18-N20 VanDerWaalsContact C-N 3.26Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact O-N 3.17Å; N20-L23 VanDerWaalsContact O-CB 3.25Å; N20-L23 WeakPolarHBondContact O-CB 3.31Å; N20-L23 PolarHBondContact O-N 3.02Å; N20-L23 VanDerWaalsContact O-N 3.08Å; N20-F24 WeakPolarHBondContact O-CD2 3.28Å; N20-F24 WeakPolarHBondContact O-CE2 3.35Å
21E55.3Low53.7Low119 Ų11991.7 Ų91.756%0.55649%0.492SS*.Hα-helixtrans-56.1-41.4175.2-76.3164.7-165.100113.2Q17 L23 F24 N25Q17-E21 VanDerWaalsContact O-CG 3.31Å; Q17-E21 WeakPolarHBondContact O-CG 3.16Å; Q17-E21 PolarHBondContact O-N 3.12Å; E21-L23 PolarHBondContact O-N 2.86Å; E21-F24 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-ND2 2.82Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å
22S55.2Low56Low46 Ų4691.1 Ų91.132%0.32247%0.469SS..Hα-helixtrans-59.5-37.2177.8-61.40000111.2R18 N20 F24 N25 Y26R18-S22 VanDerWaalsContact O-CB 3.32Å; R18-S22 WeakPolarHBondContact O-CB 3.43Å; R18-S22 PolarHBondContact O-N 3.08Å; R18-S22 PolarHBondContact O-OG 3.38Å; N20-S22 VanDerWaalsContact C-N 3.31Å; N20-S22 PolarHBondContact O-N 3.17Å; S22-F24 PolarHBondContact O-N 3.02Å; S22-N25 WeakPolarHBondContact O-CB 3.21Å; S22-N25 PolarHBondContact O-N 3.4Å; S22-Y26 WeakPolarHBondContact O-CD2 3.18Å; S22-Y26 PolarHBondContact O-N 3.23Å
23L61.2Low58.2Low18 Ų1889 Ų899%0.09445%0.449CS..Hα-helixtrans-64-36.8-178.1-161.9142000112.8D19 N20 E21 Y26 L27 V57 C59 L74D19-L23 PolarHBondContact O-N 3.36Å; N20-L23 VanDerWaalsContact O-CB 3.25Å; N20-L23 WeakPolarHBondContact O-CB 3.31Å; N20-L23 PolarHBondContact O-N 3.02Å; N20-L23 VanDerWaalsContact O-N 3.08Å; E21-L23 PolarHBondContact O-N 2.86Å; L23-Y26 PolarHBondContact O-N 3.02Å; L23-L27 HydrophobicContact CD2-CD1 3.57Å; L23-L27 HydrophobicContact CD2-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.96Å; L23-V57 HydrophobicContact CD1-CB 4.08Å; L23-V57 HydrophobicContact CD1-CG1 3.75Å; L23-C59 HydrophobicContact CD2-CB 4.49Å; L23-C59 WeakPolarHBondContact CD2-SG 3.35Å; L23-L74 HydrophobicContact CD1-CD1 4.37Å; L23-L74 HydrophobicContact CD2-CD1 4.46Å; L23-L74 HydrophobicContact CG-CD1 4.2Å
24F60.8Low60.6Low77 Ų7787.2 Ų87.234%0.33843%0.433SS..Hα-helixtrans-68.6-36.6175.2-64.7-91.4000112.4F6 N20 E21 S22 Y26 L27 G28F6-F24 HydrophobicContact CD2-CE2 4.4Å; F6-F24 HydrophobicContact CE2-CD2 4.27Å; F6-F24 AromaticContact CE2-CE2 3.33Å; F6-F24 HydrophobicContact CE2-CE2 3.33Å; F6-F24 AromaticContact CE2-CZ 3.88Å; F6-F24 HydrophobicContact CE2-CZ 3.88Å; F6-F24 AromaticContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CE2 3.57Å; F6-F24 HydrophobicContact CZ-CZ 4.01Å; N20-F24 WeakPolarHBondContact O-CD2 3.28Å; N20-F24 WeakPolarHBondContact O-CE2 3.35Å; E21-F24 PolarHBondContact O-N 3.28Å; S22-F24 PolarHBondContact O-N 3.02Å; F24-Y26 VanDerWaalsContact C-N 3.28Å; F24-Y26 PolarHBondContact O-N 3.36Å; F24-L27 PolarHBondContact O-N 2.88Å; F24-G28 PolarHBondContact O-N 3.28Å
25N60.6Low62.9Low134 Ų13481.6 Ų81.672%0.71740%0.4SS*.Hα-helixtrans-61.1-37.2176.1-76.2-61.7000112.1E21 S22E21-N25 PolarHBondContact O-N 3.28Å; E21-N25 PolarHBondContact O-ND2 2.82Å; E21-N25 VanDerWaalsContact O-ND2 3.16Å; S22-N25 WeakPolarHBondContact O-CB 3.21Å; S22-N25 PolarHBondContact O-N 3.4Å
26Y61.5Low65.3Low135 Ų13580.3 Ų80.353%0.52939%0.39SS..Hα-helixtrans-77.2-22.3177.2-63.7-59.1000114.4S22 L23 F24 G79S22-Y26 WeakPolarHBondContact O-CD2 3.18Å; S22-Y26 PolarHBondContact O-N 3.23Å; L23-Y26 PolarHBondContact O-N 3.02Å; F24-Y26 VanDerWaalsContact C-N 3.28Å; F24-Y26 PolarHBondContact O-N 3.36Å; Y26-G79 WeakPolarHBondContact CD1-O 3.27Å
27L63.7Low67.5Low8 Ų878.4 Ų78.44%0.04238%0.378CS..Hα-helixtrans-83.5-22.1-179.3-73.5176.6000114.5L23 F24 C31 T33 V61 R72 L74L23-L27 HydrophobicContact CD2-CD1 3.57Å; L23-L27 HydrophobicContact CD2-CG 4.28Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.96Å; F24-L27 PolarHBondContact O-N 2.88Å; L27-C31 HydrophobicContact CB-CB 4.19Å; L27-C31 WeakPolarHBondContact O-CB 3.32Å; L27-C31 PolarHBondContact O-SG 3.33Å; L27-T33 WeakPolarHBondContact CD1-OG1 3.31Å; L27-V61 HydrophobicContact CD1-CG2 3.83Å; L27-V61 HydrophobicContact CD2-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG2 3.77Å; L27-V61 HydrophobicContact CG-CG2 4.46Å; L27-R72 HydrophobicContact CD2-CB 4.35Å; L27-R72 VanDerWaalsContact CD2-CD 3.46Å; L27-R72 PolarHBondContact O-NH1 3.01Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å
28G60.8Low69.8Low34 Ų3475.7 Ų75.735%0.35137%0.37SS..  trans95.5147.2175.600000114.4F24 K30 C31F24-G28 PolarHBondContact O-N 3.28Å; G28-K30 PolarHBondContact O-N 3.37Å; G28-C31 PolarHBondContact O-N 2.98Å
29R59.2Low72.2Confident251 Ų25167.2 Ų67.295%0.94734%0.338SS*.THydrogen-bonded Turntrans-61.46.1-163.7-56.9-173.9-175.4-174.70.8118
30K69.8Low74.2Confident150 Ų15066.4 Ų66.465%0.65233%0.331SS*.THydrogen-bonded Turntrans-137.58.1178-61.7-171.6175.6-173.30113.4G28 N64 P65G28-K30 PolarHBondContact O-N 3.37Å; K30-N64 PolarHBondContact O-N 3.22Å; K30-N64 PolarHBondContact O-ND2 3.17Å; K30-P65 HydrophobicContact CB-CG 3.63Å; K30-P65 HydrophobicContact CD-CG 3.94Å; K30-P65 HydrophobicContact CG-CG 4.37Å
31C76.7Confident76Confident21 Ų2165 Ų6514%0.14232%0.324CS..EExtended strand (participates in β ladder)trans-94.8135.7176-67.40000109.6L27 G28 V61 K62L27-C31 HydrophobicContact CB-CB 4.19Å; L27-C31 WeakPolarHBondContact O-CB 3.32Å; L27-C31 PolarHBondContact O-SG 3.33Å; G28-C31 PolarHBondContact O-N 2.98Å; C31-V61 HydrophobicContact CB-CG1 3.68Å; C31-K62 WeakPolarHBondContact CA-O 3.39Å
32I83.6Confident77.9Confident68 Ų6862 Ų6235%0.34931%0.308SS..EExtended strand (participates in β ladder)trans-114.8123.5178.7-58.9170.9000108.4L34 V61 K62 N64I32-L34 HydrophobicContact CG2-CD2 4.41Å; I32-V61 CarbonylContact O-C 3.53Å; I32-V61 WeakPolarHBondContact O-CA 3.18Å; I32-K62 HydrophobicContact CB-CB 4.36Å; I32-K62 PolarHBondContact N-O 3.47Å; I32-K62 PolarHBondContact O-N 3.25Å; I32-N64 WeakPolarHBondContact CD1-ND2 3.34Å
33T86.3Confident79.7Confident21 Ų2161 Ų6113%0.12930%0.299CS..EExtended strand (participates in β ladder)trans-77.7125.1172.4-530000109.5L27 S35 C59L27-T33 WeakPolarHBondContact CD1-OG1 3.31Å; T33-S35 WeakPolarHBondContact CG2-O 3.34Å; T33-C59 HydrophobicContact CG2-CB 4.23Å
34L87.3Confident81.2Confident76 Ų7661.3 Ų61.340%0.39831%0.305SS..EExtended strand (participates in β ladder)trans-95.5-29.2178.7-58.1179000112.4I32 L60 K62 Y69 L130I32-L34 HydrophobicContact CG2-CD2 4.41Å; L34-L60 HydrophobicContact CB-CB 4.47Å; L34-L60 HydrophobicContact CB-CD2 4.23Å; L34-L60 HydrophobicContact CB-CG 4.18Å; L34-L60 HydrophobicContact CD1-CD2 4.4Å; L34-L60 HydrophobicContact CD1-CG 4.27Å; L34-L60 PolarHBondContact N-O 2.84Å; L34-K62 HydrophobicContact CD1-CB 4.3Å; L34-K62 HydrophobicContact CD2-CB 4.41Å; L34-K62 HydrophobicContact CG-CB 4.34Å; L34-Y69 HydrophobicContact CD1-CD1 4.03Å; L34-Y69 HydrophobicContact CD1-CE1 4.09Å; L34-L130 HydrophobicContact CD1-CD1 4.12Å; L34-L130 HydrophobicContact CD1-CD2 4.16Å
35S90.9Very high82.5Confident19 Ų1961.3 Ų61.313%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-162151.9177.8-174.40000109.2T33 C59 L60T33-S35 WeakPolarHBondContact CG2-O 3.34Å; S35-C59 WeakPolarHBondContact O-CA 3.37Å; S35-L60 PolarHBondContact O-N 2.77Å
36S91.5Very high83.5Confident46 Ų4667 Ų6732%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-144.5158.817365.90000111.8A58S36-A58 CarbonylContact C-O 3.52Å; S36-A58 WeakPolarHBondContact CA-O 3.29Å; S36-A58 WeakPolarHBondContact CB-O 3.29Å
37G92.6Very high84.6Confident3 Ų365.9 Ų65.93%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-172.8157.2177.600000112V57 A58 E119G37-V57 CarbonylContact O-C 3.51Å; G37-A58 PolarHBondContact N-O 3.02Å; G37-A58 PolarHBondContact O-N 3.28Å; G37-E119 VanDerWaalsContact CA-OE2 3.31Å; G37-E119 WeakPolarHBondContact CA-OE2 3.1Å
38V93.6Very high85.4Confident70 Ų7068.6 Ų68.642%0.42435%0.353SS..EExtended strand (participates in β ladder)trans-80.9125.1-175.9-1780000109.7V57 F114 A115 E119V38-V57 HydrophobicContact CG2-CG2 4.32Å; V38-F114 CarbonylContact O-C 3.57Å; V38-F114 VanDerWaalsContact O-CA 3.28Å; V38-F114 WeakPolarHBondContact O-CA 3Å; V38-A115 HydrophobicContact CB-CB 3.97Å; V38-A115 HydrophobicContact CG1-CB 4.11Å; V38-A115 PolarHBondContact O-N 3.39Å; V38-E119 PolarHBondContact N-OE2 2.91Å
39V95.1Very high86.8Confident2 Ų269.6 Ų69.61%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-132.2159.2-175.8-56.10000115V41 C55 G56 A58 V73 L112 N113 F114V39-V41 HydrophobicContact CG2-CG2 4.25Å; V39-C55 VanDerWaalsContact O-CA 3.29Å; V39-C55 WeakPolarHBondContact O-CA 3.38Å; V39-G56 PolarHBondContact N-O 3.39Å; V39-G56 PolarHBondContact O-N 3.5Å; V39-G56 VanDerWaalsContact O-O 3.08Å; V39-A58 HydrophobicContact CB-CB 4.24Å; V39-A58 HydrophobicContact CG1-CB 3.58Å; V39-A58 HydrophobicContact CG2-CB 3.61Å; V39-V73 HydrophobicContact CG2-CG1 3.75Å; V39-V73 HydrophobicContact CG2-CG2 3.96Å; V39-L112 HydrophobicContact CG1-CB 4.5Å; V39-N113 CarbonylContact C-O 3.57Å; V39-N113 WeakPolarHBondContact CA-O 3.44Å; V39-F114 HydrophobicContact CG1-CB 4.48Å; V39-F114 HydrophobicContact CG1-CD1 3.47Å; V39-F114 VanDerWaalsContact CG1-CD1 3.47Å; V39-F114 HydrophobicContact CG1-CD2 3.86Å; V39-F114 HydrophobicContact CG1-CE1 3.41Å; V39-F114 VanDerWaalsContact CG1-CE1 3.41Å; V39-F114 HydrophobicContact CG1-CE2 3.8Å; V39-F114 HydrophobicContact CG1-CG 3.69Å; V39-F114 HydrophobicContact CG1-CZ 3.57Å
40Q95.3Very high88.4Confident67 Ų6762 Ų6231%0.31333%0.326SS..EExtended strand (participates in β ladder)trans-111.5125.8157.7-55.3-179.3-16.300108.3Y42 C55 N113Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.7Å; Q40-Y42 PolarHBondContact OE1-OH 3.16Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.13Å; Q40-C55 HydrophobicContact CB-CB 4.48Å; Q40-C55 HydrophobicContact CG-CB 4.04Å; Q40-N113 HydrophobicContact CB-CB 4.3Å; Q40-N113 PolarHBondContact N-O 2.76Å; Q40-N113 PolarHBondContact O-N 2.98Å
41V95.1Very high89.5Confident0 Ų058.3 Ų58.30%032%0.316CS..EExtended strand (participates in β ladder)trans-88.7124.6177.7-175.30000108.9V39 R53 C54 V73 F83 V110 L112V39-V41 HydrophobicContact CG2-CG2 4.25Å; V41-R53 HydrophobicContact CG1-CB 4.42Å; V41-R53 PolarHBondContact O-N 3.21Å; V41-C54 PolarHBondContact N-O 3.38Å; V41-C54 PolarHBondContact O-N 3.26Å; V41-V73 HydrophobicContact CG2-CB 4.22Å; V41-V73 HydrophobicContact CG2-CG1 4.17Å; V41-V73 HydrophobicContact CG2-CG2 3.71Å; V41-F83 HydrophobicContact CG1-CD2 3.93Å; V41-F83 HydrophobicContact CG1-CE2 4.21Å; V41-F83 HydrophobicContact CG1-CG 4.14Å; V41-F83 HydrophobicContact CG2-CB 4.3Å; V41-F83 HydrophobicContact CG2-CG 4.39Å; V41-V110 HydrophobicContact CG1-CG1 4.01Å; V41-L112 HydrophobicContact CG1-CD2 4.39Å; V41-L112 HydrophobicContact CG2-CD2 3.93Å
42Y94.8Very high90.3Very high56 Ų5661.9 Ų61.922%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-112.5147.5172.1-71.6-96.9000110.1Q40 W50 T51 K52 F100 V110 G111 N113Q40-Y42 HydrophobicContact CB-CD2 4.32Å; Q40-Y42 HydrophobicContact CB-CE2 3.7Å; Q40-Y42 PolarHBondContact OE1-OH 3.16Å; Q40-Y42 VanDerWaalsContact OE1-OH 3.13Å; Y42-W50 HydrophobicContact CD1-CB 4.22Å; Y42-T51 CarbonylContact C-O 3.5Å; Y42-T51 VanDerWaalsContact CA-O 3.32Å; Y42-T51 WeakPolarHBondContact CA-O 3.47Å; Y42-K52 HydrophobicContact CD1-CB 4.06Å; Y42-K52 HydrophobicContact CE1-CB 3.66Å; Y42-K52 HydrophobicContact CE1-CG 4.4Å; Y42-F100 HydrophobicContact CD2-CE2 4.38Å; Y42-V110 WeakPolarHBondContact O-CA 3.35Å; Y42-G111 PolarHBondContact N-O 3.21Å; Y42-G111 PolarHBondContact O-N 3.13Å; Y42-N113 HydrophobicContact CD2-CB 3.95Å; Y42-N113 HydrophobicContact CE2-CB 3.79Å
43T94.3Very high90.7Very high24 Ų2464.6 Ų64.615%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-128.3138.4170.550.70000110.6D45 T51 Q109 V110T43-D45 PolarHBondContact O-N 3.32Å; T43-T51 PolarHBondContact N-O 3.35Å; T43-T51 PolarHBondContact O-N 3.43Å; T43-Q109 WeakPolarHBondContact CA-O 3.46Å; T43-V110 HydrophobicContact CG2-CG1 4.49Å; T43-V110 HydrophobicContact CG2-CG2 4.19Å
44A92.4Very high90.9Very high25 Ų2564.2 Ų64.221%0.20733%0.333CS..EExtended strand (participates in β ladder)trans-7512217600000109.8S49 W50 Q109A44-S49 WeakPolarHBondContact CA-O 3.1Å; A44-W50 HydrophobicContact CB-CD2 4.41Å; A44-W50 HydrophobicContact CB-CE3 4.11Å; A44-W50 HydrophobicContact CB-CH2 4.35Å; A44-W50 HydrophobicContact CB-CZ3 4.07Å; A44-Q109 HydrophobicContact CB-CB 3.99Å; A44-Q109 PolarHBondContact N-O 3.48Å
45D88.5Confident91.2Very high77 Ų7763.1 Ų63.141%0.41233%0.331SS..  trans-81.6162171.4-174.318.5000110.5T43 N47 G48 S49T43-D45 PolarHBondContact O-N 3.32Å; D45-N47 WeakPolarHBondContact CB-OD1 3.29Å; D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 PolarHBondContact OD2-ND2 2.71Å; D45-G48 PolarHBondContact O-N 3.31Å; D45-S49 PolarHBondContact N-O 2.99Å
46R81.5Confident91.3Very high254 Ų25462.6 Ų62.696%0.95833%0.329SS*.THydrogen-bonded Turntrans-61.3-17.4-176.4-63.4-175.8176.3-157.6-1.4113.9G48R46-G48 VanDerWaalsContact C-N 3.29Å
47N83.3Confident91.3Very high111 Ų11161.4 Ų61.459%0.59432%0.32SS*.THydrogen-bonded Turntrans-82.60.117355.831.8000113.8D45 S49D45-N47 WeakPolarHBondContact CB-OD1 3.29Å; D45-N47 PolarHBondContact O-N 2.99Å; D45-N47 PolarHBondContact OD2-ND2 2.71Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.35Å; N47-S49 PolarHBondContact OD1-OG 2.59Å
48G81.8Confident91.4Very high65 Ų6561.2 Ų61.267%0.6732%0.318SS*.SBendtrans8110.8-179.900000114.7D45 R46D45-G48 PolarHBondContact O-N 3.31Å; R46-G48 VanDerWaalsContact C-N 3.29Å
49S89.4Confident91.3Very high55 Ų5557.9 Ų57.939%0.38530%0.298SS..  trans-96.7149.3175.275.90000112.1A44 D45 N47A44-S49 WeakPolarHBondContact CA-O 3.1Å; D45-S49 PolarHBondContact N-O 2.99Å; N47-S49 WeakPolarHBondContact OD1-CB 3.25Å; N47-S49 PolarHBondContact OD1-N 3.35Å; N47-S49 PolarHBondContact OD1-OG 2.59Å
50W92.7Very high91.2Very high92 Ų9257.8 Ų57.835%0.34830%0.297SS..EExtended strand (participates in β ladder)trans-91.6119.2175.9-73.2103.4000110.5Y42 A44 F100 T102 Q109Y42-W50 HydrophobicContact CD1-CB 4.22Å; A44-W50 HydrophobicContact CB-CD2 4.41Å; A44-W50 HydrophobicContact CB-CE3 4.11Å; A44-W50 HydrophobicContact CB-CH2 4.35Å; A44-W50 HydrophobicContact CB-CZ3 4.07Å; W50-F100 HydrophobicContact CD2-CZ 4.31Å; W50-F100 HydrophobicContact CE3-CZ 4.46Å; W50-F100 HydrophobicContact CH2-CZ 4.38Å; W50-F100 HydrophobicContact CZ2-CE1 4.14Å; W50-F100 HydrophobicContact CZ2-CZ 4.25Å; W50-F100 HydrophobicContact CZ3-CZ 4.5Å; W50-T102 HydrophobicContact CH2-CG2 3.9Å; W50-T102 HydrophobicContact CZ2-CG2 3.91Å; W50-Q109 HydrophobicContact CH2-CB 4.32Å; W50-Q109 HydrophobicContact CH2-CG 4.01Å
51T92.9Very high91Very high73 Ų7354.6 Ų54.645%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-105.9131.8176.2-49.10000110.4Y42 T43 R53Y42-T51 CarbonylContact C-O 3.5Å; Y42-T51 VanDerWaalsContact CA-O 3.32Å; Y42-T51 WeakPolarHBondContact CA-O 3.47Å; T43-T51 PolarHBondContact N-O 3.35Å; T43-T51 PolarHBondContact O-N 3.43Å; T51-R53 PolarHBondContact O-N 2.88Å
52K93.7Very high90.7Very high95 Ų9557.7 Ų57.741%0.41330%0.296SS..EExtended strand (participates in β ladder)trans-67.9122.8173.6-175.8-178.5173.8-177.90109.4Y42 C55Y42-K52 HydrophobicContact CD1-CB 4.06Å; Y42-K52 HydrophobicContact CE1-CB 3.66Å; Y42-K52 HydrophobicContact CE1-CG 4.4Å; K52-C55 PolarHBondContact NZ-SG 3.36Å
53R91.5Very high90.2Very high125 Ų12555.5 Ų55.547%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-88.4-54.4174.7-175.7-169.8-73.8-153.40.7111.5V41 T51V41-R53 HydrophobicContact CG1-CB 4.42Å; V41-R53 PolarHBondContact O-N 3.21Å; T51-R53 PolarHBondContact O-N 2.88Å
54C91.6Very high89.3Confident13 Ų1357.3 Ų57.39%0.08830%0.296CS..EExtended strand (participates in β ladder)trans-156.9177.4-175.9570000111.4V41 M82V41-C54 PolarHBondContact N-O 3.38Å; V41-C54 PolarHBondContact O-N 3.26Å; C54-M82 HydrophobicContact CB-CB 4.06Å
55C92.9Very high88.5Confident54 Ų5460 Ų6037%0.36531%0.312SS..EExtended strand (participates in β ladder)trans-143.1150.6170.948.10000109.6V39 Q40 K52V39-C55 VanDerWaalsContact O-CA 3.29Å; V39-C55 WeakPolarHBondContact O-CA 3.38Å; Q40-C55 HydrophobicContact CB-CB 4.48Å; Q40-C55 HydrophobicContact CG-CB 4.04Å; K52-C55 PolarHBondContact NZ-SG 3.36Å
56G91.9Very high87.8Confident8 Ų861.7 Ų61.78%0.08232%0.317CS..EExtended strand (participates in β ladder)trans167.3-166.6-172.900000111.3V39 L74V39-G56 PolarHBondContact N-O 3.39Å; V39-G56 PolarHBondContact O-N 3.5Å; V39-G56 VanDerWaalsContact O-O 3.08Å; G56-L74 CarbonylContact C-O 3.59Å; G56-L74 WeakPolarHBondContact CA-O 3.31Å
57V93.2Very high87.8Confident20 Ų2060.3 Ų60.312%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-92.5118174.4179.10000109L23 G37 V38 V73 L74 I76L23-V57 HydrophobicContact CD1-CB 4.08Å; L23-V57 HydrophobicContact CD1-CG1 3.75Å; G37-V57 CarbonylContact O-C 3.51Å; V38-V57 HydrophobicContact CG2-CG2 4.32Å; V57-V73 VanDerWaalsContact O-CA 3.31Å; V57-V73 WeakPolarHBondContact O-CA 3.38Å; V57-L74 PolarHBondContact N-O 3.4Å; V57-L74 PolarHBondContact O-N 2.69Å; V57-I76 HydrophobicContact CG2-CG2 3.55Å
58A94.2Very high88Confident0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-74.6139.3167.800000110.1S36 G37 V39 R72 V73 F123S36-A58 CarbonylContact C-O 3.52Å; S36-A58 WeakPolarHBondContact CA-O 3.29Å; S36-A58 WeakPolarHBondContact CB-O 3.29Å; G37-A58 PolarHBondContact N-O 3.02Å; G37-A58 PolarHBondContact O-N 3.28Å; V39-A58 HydrophobicContact CB-CB 4.24Å; V39-A58 HydrophobicContact CG1-CB 3.58Å; V39-A58 HydrophobicContact CG2-CB 3.61Å; A58-R72 CarbonylContact C-O 3.45Å; A58-R72 WeakPolarHBondContact CA-O 3.23Å; A58-V73 HydrophobicContact CB-CG2 4.08Å; A58-F123 HydrophobicContact CB-CE2 4.09Å; A58-F123 HydrophobicContact CB-CZ 4.28Å
59C92.1Very high88.4Confident0 Ų055.1 Ų55.10%027%0.266CS..EExtended strand (participates in β ladder)trans-134.4126179.4-56.90000108.2L23 T33 S35 V61 I71 R72 L74L23-C59 HydrophobicContact CD2-CB 4.49Å; L23-C59 WeakPolarHBondContact CD2-SG 3.35Å; T33-C59 HydrophobicContact CG2-CB 4.23Å; S35-C59 WeakPolarHBondContact O-CA 3.37Å; C59-V61 HydrophobicContact CB-CG2 3.75Å; C59-I71 WeakPolarHBondContact O-CA 3.45Å; C59-R72 PolarHBondContact N-O 2.79Å; C59-R72 PolarHBondContact O-N 3.2Å; C59-L74 HydrophobicContact CB-CD1 4.41Å
60L92.3Very high88.5Confident0 Ų052.9 Ų52.90%025%0.25CC..EExtended strand (participates in β ladder)trans-86112.7168179.660.3000107.3L34 S35 I71 L87 F123 A126 L127 L130L34-L60 HydrophobicContact CB-CB 4.47Å; L34-L60 HydrophobicContact CB-CD2 4.23Å; L34-L60 HydrophobicContact CB-CG 4.18Å; L34-L60 HydrophobicContact CD1-CD2 4.4Å; L34-L60 HydrophobicContact CD1-CG 4.27Å; L34-L60 PolarHBondContact N-O 2.84Å; S35-L60 PolarHBondContact O-N 2.77Å; L60-I71 HydrophobicContact CD1-CG1 4.22Å; L60-L87 HydrophobicContact CD1-CD1 3.52Å; L60-F123 HydrophobicContact CB-CE2 3.85Å; L60-F123 HydrophobicContact CB-CZ 3.89Å; L60-A126 HydrophobicContact CD2-CB 3.82Å; L60-L127 HydrophobicContact CD1-CD1 4.05Å; L60-L127 HydrophobicContact CD2-CB 4.43Å; L60-L130 HydrophobicContact CD1-CD2 3.95Å; L60-L130 HydrophobicContact CD2-CD2 4.17Å; L60-L130 HydrophobicContact CG-CD2 4.32Å
61V90.9Very high88.5Confident0 Ų048.5 Ų48.50%023%0.233CC..EExtended strand (participates in β ladder)trans-120.4127.9-166.9-177.70000110.4L27 C31 I32 C59 Y69 F70L27-V61 HydrophobicContact CD1-CG2 3.83Å; L27-V61 HydrophobicContact CD2-CG1 4.46Å; L27-V61 HydrophobicContact CD2-CG2 3.77Å; L27-V61 HydrophobicContact CG-CG2 4.46Å; C31-V61 HydrophobicContact CB-CG1 3.68Å; I32-V61 CarbonylContact O-C 3.53Å; I32-V61 WeakPolarHBondContact O-CA 3.18Å; C59-V61 HydrophobicContact CB-CG2 3.75Å; V61-Y69 CarbonylContact O-C 3.59Å; V61-Y69 VanDerWaalsContact O-CA 3.27Å; V61-Y69 WeakPolarHBondContact O-CA 3.47Å; V61-F70 PolarHBondContact N-O 3.46Å; V61-F70 PolarHBondContact O-N 2.84Å
62K88.1Confident88.5Confident64 Ų6446.2 Ų46.228%0.27822%0.216SC..EExtended strand (participates in β ladder)trans-88.3111167.3177.5-177.6-178.4-145.10109.2C31 I32 L34 N64 Y69C31-K62 WeakPolarHBondContact CA-O 3.39Å; I32-K62 HydrophobicContact CB-CB 4.36Å; I32-K62 PolarHBondContact N-O 3.47Å; I32-K62 PolarHBondContact O-N 3.25Å; L34-K62 HydrophobicContact CD1-CB 4.3Å; L34-K62 HydrophobicContact CD2-CB 4.41Å; L34-K62 HydrophobicContact CG-CB 4.34Å; K62-N64 WeakPolarHBondContact CE-OD1 3.39Å; K62-N64 PolarHBondContact NZ-OD1 3.2Å; K62-N64 VanDerWaalsContact NZ-OD1 3.09Å; K62-N64 PolarHBondContact O-N 3.42Å; K62-Y69 HydrophobicContact CB-CD1 3.65Å; K62-Y69 HydrophobicContact CB-CE1 3.55Å; K62-Y69 HydrophobicContact CD-CE1 3.82Å; K62-Y69 HydrophobicContact CG-CD1 3.91Å; K62-Y69 HydrophobicContact CG-CE1 3.39Å
63D84.8Confident88.5Confident10 Ų1041.7 Ų41.75%0.05320%0.197CC..EExtended strand (participates in β ladder)trans-90.899.4174.7-168.8-50.4000108.6P65 Q66 R67 S68 F70 R72D63-P65 WeakPolarHBondContact OD1-CD 3.09Å; D63-Q66 HydrophobicContact CB-CB 4.19Å; D63-Q66 WeakPolarHBondContact OD1-CB 3.07Å; D63-Q66 WeakPolarHBondContact OD1-CG 3.41Å; D63-Q66 PolarHBondContact OD1-N 3.46Å; D63-Q66 PolarHBondContact OD2-NE2 2.95Å; D63-R67 WeakPolarHBondContact O-CA 3.12Å; D63-R67 PolarHBondContact O-N 3.49Å; D63-S68 PolarHBondContact N-O 2.78Å; D63-S68 PolarHBondContact O-N 3.09Å; D63-F70 HydrophobicContact CB-CD2 3.78Å; D63-F70 HydrophobicContact CB-CE2 3.7Å; D63-R72 IonicContact OD2-NH2 3.29Å
64N75.3Confident88.5Confident62 Ų6236 Ų3633%0.33218%0.176SC..THydrogen-bonded Turntrans-65-41.1-179.1-61.6-69.4000112.9K30 I32 K62 R67K30-N64 PolarHBondContact O-N 3.22Å; K30-N64 PolarHBondContact O-ND2 3.17Å; I32-N64 WeakPolarHBondContact CD1-ND2 3.34Å; K62-N64 WeakPolarHBondContact CE-OD1 3.39Å; K62-N64 PolarHBondContact NZ-OD1 3.2Å; K62-N64 VanDerWaalsContact NZ-OD1 3.09Å; K62-N64 PolarHBondContact O-N 3.42Å; N64-R67 PolarHBondContact O-N 3.08Å
65P75.7Confident88.4Confident81 Ų8136.6 Ų36.653%0.52618%0.178SC..THydrogen-bonded Turntrans-55.3-49.3172.6-28.435.2000114.1K30 D63 R67K30-P65 HydrophobicContact CB-CG 3.63Å; K30-P65 HydrophobicContact CD-CG 3.94Å; K30-P65 HydrophobicContact CG-CG 4.37Å; D63-P65 WeakPolarHBondContact OD1-CD 3.09Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.9Å
66Q73.9Confident87.8Confident114 Ų11440.4 Ų40.453%0.53319%0.193SC..THydrogen-bonded Turntrans-79.6-10.3-179.9-61.5-171.877.900112.7D63 S68 F70D63-Q66 HydrophobicContact CB-CB 4.19Å; D63-Q66 WeakPolarHBondContact OD1-CB 3.07Å; D63-Q66 WeakPolarHBondContact OD1-CG 3.41Å; D63-Q66 PolarHBondContact OD1-N 3.46Å; D63-Q66 PolarHBondContact OD2-NE2 2.95Å; Q66-S68 PolarHBondContact O-N 2.86Å; Q66-F70 HydrophobicContact CB-CE2 4.35Å
67R81.5Confident87.3Confident225 Ų22549.8 Ų49.885%0.84923%0.226SC*.THydrogen-bonded Turntrans54.826.6-173.9-60.1176.1171.6-99.2-1.3113D63 N64 P65D63-R67 WeakPolarHBondContact O-CA 3.12Å; D63-R67 PolarHBondContact O-N 3.49Å; N64-R67 PolarHBondContact O-N 3.08Å; P65-R67 VanDerWaalsContact C-N 3.26Å; P65-R67 PolarHBondContact O-N 2.9Å
68S87.4Confident86.6Confident13 Ų1354.1 Ų54.19%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-125.2175.6-175.5-159.30000111D63 Q66 E86D63-S68 PolarHBondContact N-O 2.78Å; D63-S68 PolarHBondContact O-N 3.09Å; Q66-S68 PolarHBondContact O-N 2.86Å; S68-E86 VanDerWaalsContact CB-OE1 3.24Å; S68-E86 WeakPolarHBondContact CB-OE1 3.33Å; S68-E86 WeakPolarHBondContact OG-CG 3.29Å; S68-E86 PolarHBondContact OG-OE1 3.2Å
69Y90.1Very high85.8Confident53 Ų5354.7 Ų54.721%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-128.1139.2-179.2-58.1-94.1000109.4L34 V61 K62 L87 L130L34-Y69 HydrophobicContact CD1-CD1 4.03Å; L34-Y69 HydrophobicContact CD1-CE1 4.09Å; V61-Y69 CarbonylContact O-C 3.59Å; V61-Y69 VanDerWaalsContact O-CA 3.27Å; V61-Y69 WeakPolarHBondContact O-CA 3.47Å; K62-Y69 HydrophobicContact CB-CD1 3.65Å; K62-Y69 HydrophobicContact CB-CE1 3.55Å; K62-Y69 HydrophobicContact CD-CE1 3.82Å; K62-Y69 HydrophobicContact CG-CD1 3.91Å; K62-Y69 HydrophobicContact CG-CE1 3.39Å; Y69-L87 WeakPolarHBondContact O-CB 3.38Å; Y69-L87 PolarHBondContact O-N 2.85Å; Y69-L130 HydrophobicContact CD1-CD1 3.6Å; Y69-L130 HydrophobicContact CD1-CD2 3.69Å; Y69-L130 HydrophobicContact CD1-CG 4.22Å; Y69-L130 HydrophobicContact CD2-CD1 4.19Å; Y69-L130 HydrophobicContact CD2-CD2 4.44Å; Y69-L130 HydrophobicContact CE1-CD1 3.31Å; Y69-L130 HydrophobicContact CE1-CD2 4.31Å; Y69-L130 HydrophobicContact CE1-CG 4.38Å; Y69-L130 HydrophobicContact CE2-CD1 3.95Å; Y69-L130 HydrophobicContact CG-CD1 4.03Å; Y69-L130 HydrophobicContact CG-CD2 3.77Å; Y69-L130 HydrophobicContact CG-CG 4.33Å
70F91.8Very high85.5Confident9 Ų961 Ų614%0.03928%0.282CS..EExtended strand (participates in β ladder)trans-128.9143.5-173.5-65.5-93.2000110.4V61 D63 Q66 R72 E84 Q85 E86V61-F70 PolarHBondContact N-O 3.46Å; V61-F70 PolarHBondContact O-N 2.84Å; D63-F70 HydrophobicContact CB-CD2 3.78Å; D63-F70 HydrophobicContact CB-CE2 3.7Å; Q66-F70 HydrophobicContact CB-CE2 4.35Å; F70-R72 HydrophobicContact CB-CG 4.3Å; F70-E84 HydrophobicContact CD1-CG 3.85Å; F70-Q85 CarbonylContact C-O 3.58Å; F70-Q85 VanDerWaalsContact CA-O 3.29Å; F70-Q85 WeakPolarHBondContact CA-O 3.47Å; F70-E86 HydrophobicContact CD1-CB 3.89Å; F70-E86 HydrophobicContact CD1-CG 4.15Å; F70-E86 HydrophobicContact CE1-CB 3.62Å; F70-E86 HydrophobicContact CE1-CG 3.68Å; F70-E86 HydrophobicContact CZ-CB 4.38Å; F70-E86 HydrophobicContact CZ-CG 3.94Å
71I93.4Very high85.4Confident0 Ų063.7 Ų63.70%030%0.298CS..EExtended strand (participates in β ladder)trans-94.3112.7159.4-63.3172.1000106.3C59 L60 E84 Q85 L87 F91 F103 L112 F123 L127C59-I71 WeakPolarHBondContact O-CA 3.45Å; L60-I71 HydrophobicContact CD1-CG1 4.22Å; I71-E84 CarbonylContact O-C 3.54Å; I71-E84 VanDerWaalsContact O-CA 3.31Å; I71-E84 WeakPolarHBondContact O-CA 3.45Å; I71-Q85 PolarHBondContact N-O 2.96Å; I71-Q85 PolarHBondContact O-N 2.96Å; I71-L87 HydrophobicContact CD1-CD2 3.89Å; I71-L87 HydrophobicContact CG1-CD1 4.47Å; I71-L87 HydrophobicContact CG1-CD2 4.1Å; I71-L87 HydrophobicContact CG1-CG 4.48Å; I71-F91 HydrophobicContact CD1-CZ 4.43Å; I71-F103 HydrophobicContact CD1-CE1 4.09Å; I71-F103 HydrophobicContact CD1-CZ 4.35Å; I71-L112 HydrophobicContact CG2-CD1 4.19Å; I71-F123 HydrophobicContact CD1-CE1 4.32Å; I71-F123 HydrophobicContact CG1-CE1 4.45Å; I71-F123 HydrophobicContact CG1-CZ 4.3Å; I71-F123 HydrophobicContact CG2-CZ 4.19Å; I71-L127 HydrophobicContact CD1-CD1 4.31Å; I71-L127 HydrophobicContact CD1-CD2 4.08Å
72R92.4Very high85.4Confident24 Ų2467.6 Ų67.69%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-109.3137.6174.6-72.6177.3175.3150.312.2109.4L27 A58 C59 D63 F70 T81 F83 E84L27-R72 HydrophobicContact CD2-CB 4.35Å; L27-R72 VanDerWaalsContact CD2-CD 3.46Å; L27-R72 PolarHBondContact O-NH1 3.01Å; A58-R72 CarbonylContact C-O 3.45Å; A58-R72 WeakPolarHBondContact CA-O 3.23Å; C59-R72 PolarHBondContact N-O 2.79Å; C59-R72 PolarHBondContact O-N 3.2Å; D63-R72 IonicContact OD2-NH2 3.29Å; F70-R72 HydrophobicContact CB-CG 4.3Å; R72-T81 HydrophobicContact CB-CG2 4.26Å; R72-T81 HydrophobicContact CG-CG2 4.29Å; R72-F83 CarbonylContact C-O 3.6Å; R72-F83 WeakPolarHBondContact CA-O 3.45Å; R72-E84 HydrophobicContact CG-CG 4.09Å; R72-E84 IonicContact CZ-OE2 3.62Å; R72-E84 VanDerWaalsContact CZ-OE2 3.29Å; R72-E84 IonicContact NE-OE2 3.43Å; R72-E84 PolarHBondContact NE-OE2 2.92Å; R72-E84 IonicContact NH2-OE2 3.85Å; R72-E84 PolarHBondContact NH2-OE2 3.3Å
73V93.8Very high85.6Confident0 Ų065 Ų650%031%0.306CS..EExtended strand (participates in β ladder)trans-116.3120.2170.9-173.50000108.8V39 V41 V57 A58 T81 M82 F83V39-V73 HydrophobicContact CG2-CG1 3.75Å; V39-V73 HydrophobicContact CG2-CG2 3.96Å; V41-V73 HydrophobicContact CG2-CB 4.22Å; V41-V73 HydrophobicContact CG2-CG1 4.17Å; V41-V73 HydrophobicContact CG2-CG2 3.71Å; V57-V73 VanDerWaalsContact O-CA 3.31Å; V57-V73 WeakPolarHBondContact O-CA 3.38Å; A58-V73 HydrophobicContact CB-CG2 4.08Å; V73-T81 CarbonylContact O-C 3.59Å; V73-M82 PolarHBondContact O-N 2.92Å; V73-F83 HydrophobicContact CB-CB 4.06Å; V73-F83 HydrophobicContact CG2-CB 4.19Å; V73-F83 HydrophobicContact CG2-CD1 4.08Å; V73-F83 PolarHBondContact N-O 2.88Å; V73-F83 PolarHBondContact O-N 2.88Å
74L91.3Very high86Confident7 Ų769 Ų694%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-105.9136-177.7-59.5109.7000110.8L23 L27 G56 V57 C59 I76 K80L23-L74 HydrophobicContact CD1-CD1 4.37Å; L23-L74 HydrophobicContact CD2-CD1 4.46Å; L23-L74 HydrophobicContact CG-CD1 4.2Å; L27-L74 HydrophobicContact CD2-CD1 4.21Å; G56-L74 CarbonylContact C-O 3.59Å; G56-L74 WeakPolarHBondContact CA-O 3.31Å; V57-L74 PolarHBondContact N-O 3.4Å; V57-L74 PolarHBondContact O-N 2.69Å; C59-L74 HydrophobicContact CB-CD1 4.41Å; L74-I76 PolarHBondContact O-N 3.15Å; L74-K80 CarbonylContact C-O 3.58Å; L74-K80 WeakPolarHBondContact CA-O 3.31Å
75D89.8Confident86.8Confident25 Ų2566.3 Ų66.313%0.13431%0.31CS..  trans-75121.2168.2-162.8-41.5000109.2R77 G79 K80 M82D75-R77 PolarHBondContact O-N 3.26Å; D75-R77 VanDerWaalsContact OD1-CB 3.29Å; D75-R77 WeakPolarHBondContact OD1-CB 3.44Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 PolarHBondContact OD1-N 3.49Å; D75-G79 WeakPolarHBondContact O-CA 3.37Å; D75-G79 PolarHBondContact O-N 2.88Å; D75-K80 PolarHBondContact N-O 2.96Å; D75-M82 HydrophobicContact CB-CG 3.8Å
76I80.3Confident87.6Confident134 Ų13466.8 Ų66.869%0.68731%0.305SS*.THydrogen-bonded Turntrans-64.9-19.4178.559.2175000113.3V57 L74V57-I76 HydrophobicContact CG2-CG2 3.55Å; L74-I76 PolarHBondContact O-N 3.15Å
77R80.3Confident88.3Confident204 Ų20461.5 Ų61.577%0.7728%0.281SS*.THydrogen-bonded Turntrans-85.5-41.4-178-57.3176.463.5-140.4-4.5112.1D75D75-R77 PolarHBondContact O-N 3.26Å; D75-R77 VanDerWaalsContact OD1-CB 3.29Å; D75-R77 WeakPolarHBondContact OD1-CB 3.44Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 PolarHBondContact OD1-N 3.49Å
78D78.9Confident88.5Confident112 Ų11255.3 Ų55.360%0.59926%0.258SS*.THydrogen-bonded Turntrans-106.8-3.6-173.6-65.6-22.4000113K80D78-K80 HydrophobicContact CB-CB 4.26Å; D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 VanDerWaalsContact O-N 3.13Å
79G78.7Confident88.2Confident11 Ų1159 Ų5911%0.11328%0.28CS..  trans65.210.9-176.800000114.4Y26 D75Y26-G79 WeakPolarHBondContact CD1-O 3.27Å; D75-G79 WeakPolarHBondContact O-CA 3.37Å; D75-G79 PolarHBondContact O-N 2.88Å
80K85.3Confident87.6Confident134 Ų13458 Ų5858%0.58329%0.286SS*.  trans-102.9136.7-164.1-171.6179.2179-177.60111.9L74 D75 D78 M82L74-K80 CarbonylContact C-O 3.58Å; L74-K80 WeakPolarHBondContact CA-O 3.31Å; D75-K80 PolarHBondContact N-O 2.96Å; D78-K80 HydrophobicContact CB-CB 4.26Å; D78-K80 PolarHBondContact O-N 3.46Å; D78-K80 VanDerWaalsContact O-N 3.13Å; K80-M82 HydrophobicContact CD-SD 4.5Å; K80-M82 PolarHBondContact O-N 3.09Å
81T89.9Confident87.4Confident56 Ų5657.9 Ų57.934%0.34429%0.285SS..EExtended strand (participates in β ladder)trans-65115168.8-48.50000110.3R72 V73 F83 E84R72-T81 HydrophobicContact CB-CG2 4.26Å; R72-T81 HydrophobicContact CG-CG2 4.29Å; V73-T81 CarbonylContact O-C 3.59Å; T81-F83 WeakPolarHBondContact CG2-O 3.38Å; T81-E84 HydrophobicContact CG2-CB 4.41Å
82M91.7Very high87Confident82 Ų8263.3 Ų63.340%0.40431%0.313SS..EExtended strand (participates in β ladder)trans-99.6-20.9-179.1-65.1-60.6-80.500113C54 V73 D75 K80C54-M82 HydrophobicContact CB-CB 4.06Å; V73-M82 PolarHBondContact O-N 2.92Å; D75-M82 HydrophobicContact CB-CG 3.8Å; K80-M82 HydrophobicContact CD-SD 4.5Å; K80-M82 PolarHBondContact O-N 3.09Å
83F92.4Very high86.8Confident9 Ų963.1 Ų63.14%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-147.2141.8174.5177.7-89.9000109.5V41 R72 V73 T81 Q85 F103 V110V41-F83 HydrophobicContact CG1-CD2 3.93Å; V41-F83 HydrophobicContact CG1-CE2 4.21Å; V41-F83 HydrophobicContact CG1-CG 4.14Å; V41-F83 HydrophobicContact CG2-CB 4.3Å; V41-F83 HydrophobicContact CG2-CG 4.39Å; R72-F83 CarbonylContact C-O 3.6Å; R72-F83 WeakPolarHBondContact CA-O 3.45Å; V73-F83 HydrophobicContact CB-CB 4.06Å; V73-F83 HydrophobicContact CG2-CB 4.19Å; V73-F83 HydrophobicContact CG2-CD1 4.08Å; V73-F83 PolarHBondContact N-O 2.88Å; V73-F83 PolarHBondContact O-N 2.88Å; T81-F83 WeakPolarHBondContact CG2-O 3.38Å; F83-Q85 HydrophobicContact CE1-CB 3.69Å; F83-Q85 HydrophobicContact CZ-CB 3.9Å; F83-F103 HydrophobicContact CE1-CZ 4.23Å; F83-F103 HydrophobicContact CZ-CE2 4.49Å; F83-F103 HydrophobicContact CZ-CZ 4.25Å; F83-V110 HydrophobicContact CE1-CG1 4.48Å; F83-V110 HydrophobicContact CE2-CG1 4.17Å; F83-V110 HydrophobicContact CE2-CG2 4.38Å; F83-V110 HydrophobicContact CZ-CG1 3.8Å; F83-V110 HydrophobicContact CZ-CG2 4.17Å
84E92.5Very high86.7Confident93 Ų9366.6 Ų66.644%0.43534%0.335SS..EExtended strand (participates in β ladder)trans-138.7141.3171.9-176.9171.462.900108.5F70 I71 R72 T81F70-E84 HydrophobicContact CD1-CG 3.85Å; I71-E84 CarbonylContact O-C 3.54Å; I71-E84 VanDerWaalsContact O-CA 3.31Å; I71-E84 WeakPolarHBondContact O-CA 3.45Å; R72-E84 HydrophobicContact CG-CG 4.09Å; R72-E84 IonicContact CZ-OE2 3.62Å; R72-E84 VanDerWaalsContact CZ-OE2 3.29Å; R72-E84 IonicContact NE-OE2 3.43Å; R72-E84 PolarHBondContact NE-OE2 2.92Å; R72-E84 IonicContact NH2-OE2 3.85Å; R72-E84 PolarHBondContact NH2-OE2 3.3Å; T81-E84 HydrophobicContact CG2-CB 4.41Å
85Q92.3Very high86.7Confident7 Ų769.5 Ų69.53%0.03335%0.351CS..EExtended strand (participates in β ladder)trans-138.8127.3170.2176.464.864.900109F70 I71 F83 F103 D106F70-Q85 CarbonylContact C-O 3.58Å; F70-Q85 VanDerWaalsContact CA-O 3.29Å; F70-Q85 WeakPolarHBondContact CA-O 3.47Å; I71-Q85 PolarHBondContact N-O 2.96Å; I71-Q85 PolarHBondContact O-N 2.96Å; F83-Q85 HydrophobicContact CE1-CB 3.69Å; F83-Q85 HydrophobicContact CZ-CB 3.9Å; Q85-F103 HydrophobicContact CB-CE2 4.22Å; Q85-F103 HydrophobicContact CB-CZ 4.43Å; Q85-F103 HydrophobicContact CG-CD2 4.47Å; Q85-F103 HydrophobicContact CG-CE2 3.73Å; Q85-F103 HydrophobicContact CG-CZ 4.35Å; Q85-D106 PolarHBondContact NE2-OD1 2.79Å
86E91.6Very high86.4Confident91 Ų9173.5 Ų73.543%0.42537%0.368SS..EExtended strand (participates in β ladder)trans-79.1139.7169.9-167.6178.4-176.500111.1S68 F70 Y88S68-E86 VanDerWaalsContact CB-OE1 3.24Å; S68-E86 WeakPolarHBondContact CB-OE1 3.33Å; S68-E86 WeakPolarHBondContact OG-CG 3.29Å; S68-E86 PolarHBondContact OG-OE1 3.2Å; F70-E86 HydrophobicContact CD1-CB 3.89Å; F70-E86 HydrophobicContact CD1-CG 4.15Å; F70-E86 HydrophobicContact CE1-CB 3.62Å; F70-E86 HydrophobicContact CE1-CG 3.68Å; F70-E86 HydrophobicContact CZ-CB 4.38Å; F70-E86 HydrophobicContact CZ-CG 3.94Å; E86-Y88 PolarHBondContact O-N 3.26Å
87L90Very high86.8Confident3 Ų373.9 Ų73.92%0.01636%0.361CS..  trans-88.588.3178.9-63.4177.5000111.1L60 Y69 I71 F91 L127 L130 R134L60-L87 HydrophobicContact CD1-CD1 3.52Å; Y69-L87 WeakPolarHBondContact O-CB 3.38Å; Y69-L87 PolarHBondContact O-N 2.85Å; I71-L87 HydrophobicContact CD1-CD2 3.89Å; I71-L87 HydrophobicContact CG1-CD1 4.47Å; I71-L87 HydrophobicContact CG1-CD2 4.1Å; I71-L87 HydrophobicContact CG1-CG 4.48Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 3.55Å; L87-F91 HydrophobicContact CD2-CE1 3.7Å; L87-F91 HydrophobicContact CD2-CE2 3.43Å; L87-F91 VanDerWaalsContact CD2-CE2 3.43Å; L87-F91 HydrophobicContact CD2-CG 3.74Å; L87-F91 HydrophobicContact CD2-CZ 3.48Å; L87-F91 VanDerWaalsContact CD2-CZ 3.48Å; L87-L127 HydrophobicContact CD1-CD1 3.56Å; L87-L127 HydrophobicContact CD2-CD1 3.81Å; L87-L127 HydrophobicContact CG-CD1 4.37Å; L87-L130 HydrophobicContact CD1-CD2 3.89Å; L87-R134 PolarHBondContact O-NH1 3.17Å
88Y84.1Confident87.2Confident95 Ų9567 Ų6737%0.37334%0.343SS..  trans-59.6161.9176.861.2-96.1000113.9E86 G90 F91 R134E86-Y88 PolarHBondContact O-N 3.26Å; Y88-G90 PolarHBondContact O-N 3.36Å; Y88-F91 AromaticContact CD1-CD2 3.87Å; Y88-F91 HydrophobicContact CD1-CD2 3.87Å; Y88-F91 AromaticContact CE1-CD2 3.49Å; Y88-F91 HydrophobicContact CE1-CD2 3.49Å; Y88-F91 VanDerWaalsContact CE1-CD2 3.49Å; Y88-F91 AromaticContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE2-CB 4.4Å; Y88-F91 HydrophobicContact CE2-CD2 4.46Å; Y88-F91 HydrophobicContact CG-CD2 4.49Å; Y88-F91 AromaticContact CZ-CD2 3.82Å; Y88-F91 WeakPolarHBondContact O-CB 3.11Å; Y88-F91 PolarHBondContact O-N 2.9Å; Y88-F91 VanDerWaalsContact O-N 3.12Å; Y88-R134 VanDerWaalsContact C-NH1 3.3Å; Y88-R134 PolarHBondContact O-NH1 2.79Å; Y88-R134 VanDerWaalsContact O-NH1 3.15Å; Y88-R134 PolarHBondContact O-NH2 2.79Å
89T81Confident87.8Confident90 Ų9065.6 Ų65.655%0.55233%0.33SS*.THydrogen-bonded Turntrans-65.2126.3-178.3-60.40000111.5
90G78.6Confident88.5Confident32 Ų3266 Ų6633%0.3333%0.328SS..THydrogen-bonded Turntrans7234.3-172.100000113.3Y88Y88-G90 PolarHBondContact O-N 3.36Å
91F86.4Confident88.9Confident6 Ų659.6 Ų59.63%0.02630%0.301CS..  trans-50.4139.9167.8-169.9-94.9000111.1I71 L87 Y88 D93 F103 L127I71-F91 HydrophobicContact CD1-CZ 4.43Å; L87-F91 HydrophobicContact CD2-CD1 3.82Å; L87-F91 HydrophobicContact CD2-CD2 3.55Å; L87-F91 HydrophobicContact CD2-CE1 3.7Å; L87-F91 HydrophobicContact CD2-CE2 3.43Å; L87-F91 VanDerWaalsContact CD2-CE2 3.43Å; L87-F91 HydrophobicContact CD2-CG 3.74Å; L87-F91 HydrophobicContact CD2-CZ 3.48Å; L87-F91 VanDerWaalsContact CD2-CZ 3.48Å; Y88-F91 AromaticContact CD1-CD2 3.87Å; Y88-F91 HydrophobicContact CD1-CD2 3.87Å; Y88-F91 AromaticContact CE1-CD2 3.49Å; Y88-F91 HydrophobicContact CE1-CD2 3.49Å; Y88-F91 VanDerWaalsContact CE1-CD2 3.49Å; Y88-F91 AromaticContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE1-CE2 3.98Å; Y88-F91 HydrophobicContact CE2-CB 4.4Å; Y88-F91 HydrophobicContact CE2-CD2 4.46Å; Y88-F91 HydrophobicContact CG-CD2 4.49Å; Y88-F91 AromaticContact CZ-CD2 3.82Å; Y88-F91 WeakPolarHBondContact O-CB 3.11Å; Y88-F91 PolarHBondContact O-N 2.9Å; Y88-F91 VanDerWaalsContact O-N 3.12Å; F91-D93 HydrophobicContact CE1-CB 4.03Å; F91-F103 HydrophobicContact CE1-CB 4.01Å; F91-F103 HydrophobicContact CE1-CG 4.32Å; F91-F103 HydrophobicContact CE2-CB 4.24Å; F91-F103 HydrophobicContact CE2-CD2 4.02Å; F91-F103 HydrophobicContact CE2-CG 4.23Å; F91-F103 HydrophobicContact CZ-CB 3.5Å; F91-F103 HydrophobicContact CZ-CD1 4.02Å; F91-F103 AromaticContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CE2 4.42Å; F91-F103 AromaticContact CZ-CG 3.49Å; F91-F103 HydrophobicContact CZ-CG 3.49Å; F91-F103 VanDerWaalsContact CZ-CG 3.49Å; F91-L127 HydrophobicContact CD1-CD1 4.31Å; F91-L127 HydrophobicContact CE1-CD1 4.16Å; F91-L127 HydrophobicContact CE1-CD2 3.99Å; F91-L127 HydrophobicContact CE1-CG 4.26Å
92I85.3Confident89.1Confident114 Ų11457 Ų5759%0.58529%0.285SS*.  trans-130108178.6-57.3176.9000108.4
93D89Confident89.2Confident21 Ų2153.3 Ų53.311%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-86.7156.116247.2-37000111.5F91 I101 T102 H124 L127F91-D93 HydrophobicContact CE1-CB 4.03Å; D93-I101 HydrophobicContact CB-CG2 3.93Å; D93-T102 CarbonylContact C-O 3.5Å; D93-H124 IonicContact OD2-CD2 3.61Å; D93-H124 PolarHBondContact OD2-CD2 2.82Å; D93-H124 IonicContact OD2-CE1 2.67Å; D93-H124 IonicContact OD2-CG 2.7Å; D93-H124 IonicContact OD2-ND1 2.76Å; D93-H124 IonicContact OD2-NE2 2.61Å; D93-H124 PolarHBondContact OD2-NE2 2.83Å; D93-L127 HydrophobicContact CB-CD2 3.93Å; D93-L127 WeakPolarHBondContact OD2-CD2 3.49Å
94T91.3Very high89.1Confident72 Ų7256.1 Ų56.144%0.44229%0.287SS..EExtended strand (participates in β ladder)trans-144.7110.1175.9-63.20000109.3Q96 T102T94-Q96 HydrophobicContact CG2-CG 4.17Å; T94-Q96 PolarHBondContact O-N 2.91Å; T94-Q96 VanDerWaalsContact O-N 3.08Å; T94-T102 PolarHBondContact N-O 2.93Å; T94-T102 PolarHBondContact O-N 2.75Å; T94-T102 PolarHBondContact O-OG1 2.8Å; T94-T102 VanDerWaalsContact O-OG1 3.11Å
95L90.9Very high88.9Confident69 Ų6952.4 Ų52.436%0.36127%0.274SS..EExtended strand (participates in β ladder)trans-68.595.6169.8-165.568000110.1R97 I101 T120L95-R97 WeakPolarHBondContact CD1-O 3.31Å; L95-R97 VanDerWaalsContact CG-O 3.3Å; L95-R97 WeakPolarHBondContact CG-O 3.41Å; L95-I101 HydrophobicContact CD1-CG1 3.8Å; L95-T120 HydrophobicContact CD1-CG2 3.63Å
96Q84.7Confident88.5Confident109 Ų10958.3 Ų58.351%0.50931%0.306SS..EExtended strand (participates in β ladder)trans-80.5-25177.6-72.3-165.3-2.200112.5T94 F100 T102T94-Q96 HydrophobicContact CG2-CG 4.17Å; T94-Q96 PolarHBondContact O-N 2.91Å; T94-Q96 VanDerWaalsContact O-N 3.08Å; Q96-F100 HydrophobicContact CB-CD1 4.34Å; Q96-F100 PolarHBondContact N-O 2.89Å; Q96-T102 HydrophobicContact CG-CG2 4.22Å
97R88.1Confident88.2Confident141 Ų14160.3 Ų60.353%0.53232%0.324SS..EExtended strand (participates in β ladder)trans-143.8158.7173.9-53.6-176.6175.9-83.9-2.5108.7L95 Y99 F100L95-R97 WeakPolarHBondContact CD1-O 3.31Å; L95-R97 VanDerWaalsContact CG-O 3.3Å; L95-R97 WeakPolarHBondContact CG-O 3.41Å; R97-Y99 HydrophobicContact CB-CD2 4.33Å; R97-Y99 HydrophobicContact CB-CE1 4.36Å; R97-Y99 HydrophobicContact CB-CE2 4.08Å; R97-Y99 WeakPolarHBondContact CD-OH 3.43Å; R97-Y99 HydrophobicContact CG-CE2 4.49Å; R97-Y99 PolarHBondContact O-N 3.24Å; R97-F100 HydrophobicContact CB-CB 3.81Å; R97-F100 HydrophobicContact CG-CB 4.16Å; R97-F100 PolarHBondContact N-O 3.49Å; R97-F100 PolarHBondContact O-N 2.91Å
98P88.4Confident88.1Confident60 Ų6061.8 Ų61.839%0.3933%0.334SS..THydrogen-bonded Turntrans-52.6-24.9178.4-29.437.4000115.4E117 T120P98-E117 HydrophobicContact CB-CB 4.41Å; P98-E117 HydrophobicContact CB-CG 3.92Å; P98-E117 VanDerWaalsContact CB-OE2 3.28Å; P98-E117 WeakPolarHBondContact CB-OE2 3.44Å; P98-T120 WeakPolarHBondContact O-CB 3.28Å; P98-T120 VanDerWaalsContact O-CG2 3.22Å; P98-T120 WeakPolarHBondContact O-CG2 3.35Å; P98-T120 PolarHBondContact O-OG1 2.98Å
99Y91.1Very high88.5Confident83 Ų8361.3 Ų61.333%0.32534%0.335SS..THydrogen-bonded Turntrans-111.62.1177.152-100.4000114.8R97 N113 F114 E117 T120R97-Y99 HydrophobicContact CB-CD2 4.33Å; R97-Y99 HydrophobicContact CB-CE1 4.36Å; R97-Y99 HydrophobicContact CB-CE2 4.08Å; R97-Y99 WeakPolarHBondContact CD-OH 3.43Å; R97-Y99 HydrophobicContact CG-CE2 4.49Å; R97-Y99 PolarHBondContact O-N 3.24Å; Y99-N113 VanDerWaalsContact CD2-OD1 3.29Å; Y99-N113 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N113 WeakPolarHBondContact O-CA 3.05Å; Y99-F114 PolarHBondContact O-N 2.85Å; Y99-E117 HydrophobicContact CD1-CG 4.26Å; Y99-T120 WeakPolarHBondContact CA-OG1 3.43Å
100F93.3Very high89.2Confident19 Ų1957.1 Ų57.18%0.08331%0.31CS..EExtended strand (participates in β ladder)trans-129.9102.4-171.5-163.6-115000112.4Y42 W50 Q96 R97 T102 L112 N113Y42-F100 HydrophobicContact CD2-CE2 4.38Å; W50-F100 HydrophobicContact CD2-CZ 4.31Å; W50-F100 HydrophobicContact CE3-CZ 4.46Å; W50-F100 HydrophobicContact CH2-CZ 4.38Å; W50-F100 HydrophobicContact CZ2-CE1 4.14Å; W50-F100 HydrophobicContact CZ2-CZ 4.25Å; W50-F100 HydrophobicContact CZ3-CZ 4.5Å; Q96-F100 HydrophobicContact CB-CD1 4.34Å; Q96-F100 PolarHBondContact N-O 2.89Å; R97-F100 HydrophobicContact CB-CB 3.81Å; R97-F100 HydrophobicContact CG-CB 4.16Å; R97-F100 PolarHBondContact N-O 3.49Å; R97-F100 PolarHBondContact O-N 2.91Å; F100-T102 HydrophobicContact CD1-CG2 3.68Å; F100-T102 HydrophobicContact CE1-CG2 3.27Å; F100-T102 HydrophobicContact CZ-CG2 4.01Å; F100-L112 WeakPolarHBondContact CA-O 3.29Å; F100-N113 HydrophobicContact CD2-CB 3.74Å; F100-N113 HydrophobicContact CE2-CB 4.01Å
101I93.9Very high90Very high0 Ų055.6 Ų55.60%029%0.294CS..EExtended strand (participates in β ladder)trans-91.3132.4173.1-52.2179.7000108.3D93 L95 G111 L112 F114 T120 F123 H124D93-I101 HydrophobicContact CB-CG2 3.93Å; L95-I101 HydrophobicContact CD1-CG1 3.8Å; I101-G111 CarbonylContact O-C 3.57Å; I101-G111 VanDerWaalsContact O-CA 3.31Å; I101-G111 WeakPolarHBondContact O-CA 3.5Å; I101-L112 PolarHBondContact N-O 2.84Å; I101-L112 PolarHBondContact O-N 2.79Å; I101-F114 HydrophobicContact CD1-CD2 4.47Å; I101-F114 HydrophobicContact CD1-CE2 3.63Å; I101-F114 HydrophobicContact CD1-CZ 4.15Å; I101-F114 HydrophobicContact CG1-CE2 4.03Å; I101-T120 HydrophobicContact CD1-CG2 3.94Å; I101-T120 HydrophobicContact CG1-CG2 3.69Å; I101-F123 HydrophobicContact CD1-CD1 4.06Å; I101-H124 HydrophobicContact CD1-CB 3.76Å; I101-H124 HydrophobicContact CG1-CB 4.46Å
102T94.1Very high90.4Very high2 Ų255.3 Ų55.31%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-118.4146.9170.660.90000111.2W50 D93 T94 Q96 F100 V110W50-T102 HydrophobicContact CH2-CG2 3.9Å; W50-T102 HydrophobicContact CZ2-CG2 3.91Å; D93-T102 CarbonylContact C-O 3.5Å; T94-T102 PolarHBondContact N-O 2.93Å; T94-T102 PolarHBondContact O-N 2.75Å; T94-T102 PolarHBondContact O-OG1 2.8Å; T94-T102 VanDerWaalsContact O-OG1 3.11Å; Q96-T102 HydrophobicContact CG-CG2 4.22Å; F100-T102 HydrophobicContact CD1-CG2 3.68Å; F100-T102 HydrophobicContact CE1-CG2 3.27Å; F100-T102 HydrophobicContact CZ-CG2 4.01Å; T102-V110 CarbonylContact C-O 3.5Å; T102-V110 VanDerWaalsContact CA-O 3.28Å; T102-V110 WeakPolarHBondContact CA-O 3.27Å
103F93.8Very high90.9Very high4 Ų451.6 Ų51.62%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-149.9164.7174.258-98.6000110.9I71 F83 Q85 F91 Q109 V110 L112I71-F103 HydrophobicContact CD1-CE1 4.09Å; I71-F103 HydrophobicContact CD1-CZ 4.35Å; F83-F103 HydrophobicContact CE1-CZ 4.23Å; F83-F103 HydrophobicContact CZ-CE2 4.49Å; F83-F103 HydrophobicContact CZ-CZ 4.25Å; Q85-F103 HydrophobicContact CB-CE2 4.22Å; Q85-F103 HydrophobicContact CB-CZ 4.43Å; Q85-F103 HydrophobicContact CG-CD2 4.47Å; Q85-F103 HydrophobicContact CG-CE2 3.73Å; Q85-F103 HydrophobicContact CG-CZ 4.35Å; F91-F103 HydrophobicContact CE1-CB 4.01Å; F91-F103 HydrophobicContact CE1-CG 4.32Å; F91-F103 HydrophobicContact CE2-CB 4.24Å; F91-F103 HydrophobicContact CE2-CD2 4.02Å; F91-F103 HydrophobicContact CE2-CG 4.23Å; F91-F103 HydrophobicContact CZ-CB 3.5Å; F91-F103 HydrophobicContact CZ-CD1 4.02Å; F91-F103 AromaticContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CD2 3.71Å; F91-F103 HydrophobicContact CZ-CE2 4.42Å; F91-F103 AromaticContact CZ-CG 3.49Å; F91-F103 HydrophobicContact CZ-CG 3.49Å; F91-F103 VanDerWaalsContact CZ-CG 3.49Å; F103-Q109 WeakPolarHBondContact O-CG 3.24Å; F103-V110 HydrophobicContact CD2-CB 4.03Å; F103-V110 HydrophobicContact CD2-CG2 4.49Å; F103-V110 HydrophobicContact CE1-CB 4.34Å; F103-V110 HydrophobicContact CE1-CG1 4.18Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 3.92Å; F103-V110 HydrophobicContact CE2-CG2 3.9Å; F103-V110 HydrophobicContact CZ-CB 3.73Å; F103-V110 HydrophobicContact CZ-CG1 3.59Å; F103-V110 HydrophobicContact CZ-CG2 4.42Å; F103-V110 PolarHBondContact N-O 2.96Å; F103-V110 PolarHBondContact O-N 2.82Å; F103-L112 HydrophobicContact CE1-CD1 3.88Å; F103-L112 HydrophobicContact CE1-CG 3.88Å
104S91.8Very high91.1Very high68 Ų6851 Ų5148%0.47627%0.271SS..EExtended strand (participates in β ladder)trans-83112.1171.7-62.10000109.4
105G87.2Confident91.1Very high15 Ų1551.4 Ų51.416%0.15528%0.282CS..  trans-88.4178.6167.100000111.6T107 C108G105-T107 PolarHBondContact O-N 3.47Å; G105-C108 WeakPolarHBondContact CA-O 3.32Å; G105-C108 PolarHBondContact N-O 2.97Å
106D83.9Confident91.1Very high131 Ų13151 Ų5170%0.70128%0.28SS*.SBendtrans-60.8-25.7-168-50.7-24.1000114.9Q85Q85-D106 PolarHBondContact NE2-OD1 2.79Å
107T84.5Confident91.4Very high132 Ų13249.3 Ų49.381%0.8127%0.272SS*.SBendtrans-133-16.2-172.352.40000114.7G105G105-T107 PolarHBondContact O-N 3.47Å
108C89.1Confident91.5Very high34 Ų3446.7 Ų46.723%0.2327%0.266CS..SBendtrans-159.9163.8-175.556.50000110.4G105G105-C108 WeakPolarHBondContact CA-O 3.32Å; G105-C108 PolarHBondContact N-O 2.97Å
109Q92.9Very high91.5Very high85 Ų8546.6 Ų46.640%0.39726%0.26SS..EExtended strand (participates in β ladder)trans-73.1134.6170.3-159.6174.5-4.300109.5T43 A44 W50 F103T43-Q109 WeakPolarHBondContact CA-O 3.46Å; A44-Q109 HydrophobicContact CB-CB 3.99Å; A44-Q109 PolarHBondContact N-O 3.48Å; W50-Q109 HydrophobicContact CH2-CB 4.32Å; W50-Q109 HydrophobicContact CH2-CG 4.01Å; F103-Q109 WeakPolarHBondContact O-CG 3.24Å
110V94.7Very high91.6Very high2 Ų242.6 Ų42.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-113.6143.8-178.3-175.10000108.8V41 Y42 T43 F83 T102 F103V41-V110 HydrophobicContact CG1-CG1 4.01Å; Y42-V110 WeakPolarHBondContact O-CA 3.35Å; T43-V110 HydrophobicContact CG2-CG1 4.49Å; T43-V110 HydrophobicContact CG2-CG2 4.19Å; F83-V110 HydrophobicContact CE1-CG1 4.48Å; F83-V110 HydrophobicContact CE2-CG1 4.17Å; F83-V110 HydrophobicContact CE2-CG2 4.38Å; F83-V110 HydrophobicContact CZ-CG1 3.8Å; F83-V110 HydrophobicContact CZ-CG2 4.17Å; T102-V110 CarbonylContact C-O 3.5Å; T102-V110 VanDerWaalsContact CA-O 3.28Å; T102-V110 WeakPolarHBondContact CA-O 3.27Å; F103-V110 HydrophobicContact CD2-CB 4.03Å; F103-V110 HydrophobicContact CD2-CG2 4.49Å; F103-V110 HydrophobicContact CE1-CB 4.34Å; F103-V110 HydrophobicContact CE1-CG1 4.18Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 3.92Å; F103-V110 HydrophobicContact CE2-CG2 3.9Å; F103-V110 HydrophobicContact CZ-CB 3.73Å; F103-V110 HydrophobicContact CZ-CG1 3.59Å; F103-V110 HydrophobicContact CZ-CG2 4.42Å; F103-V110 PolarHBondContact N-O 2.96Å; F103-V110 PolarHBondContact O-N 2.82Å
111G94.8Very high91.5Very high0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-128.8127.6176.400000110.3Y42 I101Y42-G111 PolarHBondContact N-O 3.21Å; Y42-G111 PolarHBondContact O-N 3.13Å; I101-G111 CarbonylContact O-C 3.57Å; I101-G111 VanDerWaalsContact O-CA 3.31Å; I101-G111 WeakPolarHBondContact O-CA 3.5Å
112L95.4Very high91.3Very high0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-100.9112.3171.6-58.9-179.6000108.2V39 V41 I71 F100 I101 F103 F114 F123V39-L112 HydrophobicContact CG1-CB 4.5Å; V41-L112 HydrophobicContact CG1-CD2 4.39Å; V41-L112 HydrophobicContact CG2-CD2 3.93Å; I71-L112 HydrophobicContact CG2-CD1 4.19Å; F100-L112 WeakPolarHBondContact CA-O 3.29Å; I101-L112 PolarHBondContact N-O 2.84Å; I101-L112 PolarHBondContact O-N 2.79Å; F103-L112 HydrophobicContact CE1-CD1 3.88Å; F103-L112 HydrophobicContact CE1-CG 3.88Å; L112-F114 HydrophobicContact CB-CD2 4.24Å; L112-F114 HydrophobicContact CB-CE2 3.67Å; L112-F114 HydrophobicContact CB-CZ 4.47Å; L112-F114 HydrophobicContact CD1-CE2 4.31Å; L112-F114 HydrophobicContact CD1-CZ 4.43Å; L112-F123 HydrophobicContact CD1-CE1 4.29Å
113N95.1Very high91.2Very high37 Ų3751.1 Ų51.120%0.19828%0.282CS..EExtended strand (participates in β ladder)trans-97.2103.6173.5-176.156.8000108.8V39 Q40 Y42 Y99 F100V39-N113 CarbonylContact C-O 3.57Å; V39-N113 WeakPolarHBondContact CA-O 3.44Å; Q40-N113 HydrophobicContact CB-CB 4.3Å; Q40-N113 PolarHBondContact N-O 2.76Å; Q40-N113 PolarHBondContact O-N 2.98Å; Y42-N113 HydrophobicContact CD2-CB 3.95Å; Y42-N113 HydrophobicContact CE2-CB 3.79Å; Y99-N113 VanDerWaalsContact CD2-OD1 3.29Å; Y99-N113 WeakPolarHBondContact CD2-OD1 3.3Å; Y99-N113 WeakPolarHBondContact O-CA 3.05Å; F100-N113 HydrophobicContact CD2-CB 3.74Å; F100-N113 HydrophobicContact CE2-CB 4.01Å
114F94.5Very high91.1Very high7 Ų752.7 Ų52.73%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-77.2154.2-179.6-73.9-103.3000111.3V38 V39 Y99 I101 L112 N116 E119 T120 F123V38-F114 CarbonylContact O-C 3.57Å; V38-F114 VanDerWaalsContact O-CA 3.28Å; V38-F114 WeakPolarHBondContact O-CA 3Å; V39-F114 HydrophobicContact CG1-CB 4.48Å; V39-F114 HydrophobicContact CG1-CD1 3.47Å; V39-F114 VanDerWaalsContact CG1-CD1 3.47Å; V39-F114 HydrophobicContact CG1-CD2 3.86Å; V39-F114 HydrophobicContact CG1-CE1 3.41Å; V39-F114 VanDerWaalsContact CG1-CE1 3.41Å; V39-F114 HydrophobicContact CG1-CE2 3.8Å; V39-F114 HydrophobicContact CG1-CG 3.69Å; V39-F114 HydrophobicContact CG1-CZ 3.57Å; Y99-F114 PolarHBondContact O-N 2.85Å; I101-F114 HydrophobicContact CD1-CD2 4.47Å; I101-F114 HydrophobicContact CD1-CE2 3.63Å; I101-F114 HydrophobicContact CD1-CZ 4.15Å; I101-F114 HydrophobicContact CG1-CE2 4.03Å; L112-F114 HydrophobicContact CB-CD2 4.24Å; L112-F114 HydrophobicContact CB-CE2 3.67Å; L112-F114 HydrophobicContact CB-CZ 4.47Å; L112-F114 HydrophobicContact CD1-CE2 4.31Å; L112-F114 HydrophobicContact CD1-CZ 4.43Å; F114-N116 VanDerWaalsContact C-N 3.33Å; F114-E119 HydrophobicContact CD1-CB 4.17Å; F114-T120 WeakPolarHBondContact CB-OG1 3.06Å; F114-T120 HydrophobicContact CD2-CG2 3.83Å; F114-T120 HydrophobicContact CE2-CG2 4.29Å; F114-T120 HydrophobicContact CG-CG2 4.28Å; F114-T120 VanDerWaalsContact CG-OG1 3.3Å; F114-T120 WeakPolarHBondContact CG-OG1 3.27Å; F114-F123 HydrophobicContact CE1-CB 3.88Å; F114-F123 HydrophobicContact CE1-CD1 4.44Å; F114-F123 HydrophobicContact CE1-CD2 4.1Å; F114-F123 AromaticContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CZ-CB 3.81Å; F114-F123 AromaticContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD2 4.07Å; F114-F123 HydrophobicContact CZ-CE1 4.24Å; F114-F123 AromaticContact CZ-CG 3.57Å; F114-F123 HydrophobicContact CZ-CG 3.57Å
115A92Very high91.1Very high82 Ų8251.1 Ų51.168%0.67829%0.285SS*.SBendtrans-73.2-27.6172.100000112.2V38V38-A115 HydrophobicContact CB-CB 3.97Å; V38-A115 HydrophobicContact CG1-CB 4.11Å; V38-A115 PolarHBondContact O-N 3.39Å
116N90.1Very high91.3Very high59 Ų5951.6 Ų51.632%0.31629%0.287SS..  trans-130.8140.3-176.4-16615000112.7F114 E118 E119 T120F114-N116 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact OD1-OE2 2.82Å; N116-E118 VanDerWaalsContact OD1-OE2 3.13Å; N116-E119 HydrophobicContact CB-CB 4.2Å; N116-E119 HydrophobicContact CB-CG 3.96Å; N116-T120 PolarHBondContact O-N 2.98Å; N116-T120 PolarHBondContact O-OG1 2.9Å
117E91.6Very high91.6Very high74 Ų7445.3 Ų45.335%0.34625%0.253SS..Hα-helixtrans-70.9-35.6179-66.4-165.5176.900111.7P98 Y99 T120 K121P98-E117 HydrophobicContact CB-CB 4.41Å; P98-E117 HydrophobicContact CB-CG 3.92Å; P98-E117 VanDerWaalsContact CB-OE2 3.28Å; P98-E117 WeakPolarHBondContact CB-OE2 3.44Å; Y99-E117 HydrophobicContact CD1-CG 4.26Å; E117-T120 WeakPolarHBondContact O-CB 3.29Å; E117-T120 PolarHBondContact O-N 3.28Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 2.8Å
118E89.6Confident91.8Very high86 Ų8641.8 Ų41.840%0.40223%0.232SC..Hα-helixtrans-64.2-47.6176.9-76.652.9-114.300110.8N116 T120 K121 H122N116-E118 PolarHBondContact OD1-OE2 2.82Å; N116-E118 VanDerWaalsContact OD1-OE2 3.13Å; E118-T120 PolarHBondContact O-N 2.89Å; E118-K121 PolarHBondContact O-N 2.57Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E118-K121 IonicContact OE1-NZ 2.83Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; E118-H122 PolarHBondContact O-N 3.37Å; E118-H122 PolarHBondContact O-ND1 3.11Å
119E89Confident91.8Very high58 Ų5845 Ų4527%0.27124%0.243SC..Hα-helixtrans-56.1-40.5173.7-69.8-176.7170.900111.4G37 V38 F114 N116 H122 F123G37-E119 VanDerWaalsContact CA-OE2 3.31Å; G37-E119 WeakPolarHBondContact CA-OE2 3.1Å; V38-E119 PolarHBondContact N-OE2 2.91Å; F114-E119 HydrophobicContact CD1-CB 4.17Å; N116-E119 HydrophobicContact CB-CB 4.2Å; N116-E119 HydrophobicContact CB-CG 3.96Å; E119-H122 PolarHBondContact O-N 3.44Å; E119-F123 VanDerWaalsContact O-CB 3.27Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 3.02Å
120T92.3Very high91.5Very high0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-63.1-44.8178.1-47.30000112.1L95 P98 Y99 I101 F114 N116 E117 E118 F123 H124L95-T120 HydrophobicContact CD1-CG2 3.63Å; P98-T120 WeakPolarHBondContact O-CB 3.28Å; P98-T120 VanDerWaalsContact O-CG2 3.22Å; P98-T120 WeakPolarHBondContact O-CG2 3.35Å; P98-T120 PolarHBondContact O-OG1 2.98Å; Y99-T120 WeakPolarHBondContact CA-OG1 3.43Å; I101-T120 HydrophobicContact CD1-CG2 3.94Å; I101-T120 HydrophobicContact CG1-CG2 3.69Å; F114-T120 WeakPolarHBondContact CB-OG1 3.06Å; F114-T120 HydrophobicContact CD2-CG2 3.83Å; F114-T120 HydrophobicContact CE2-CG2 4.29Å; F114-T120 HydrophobicContact CG-CG2 4.28Å; F114-T120 VanDerWaalsContact CG-OG1 3.3Å; F114-T120 WeakPolarHBondContact CG-OG1 3.27Å; N116-T120 PolarHBondContact O-N 2.98Å; N116-T120 PolarHBondContact O-OG1 2.9Å; E117-T120 WeakPolarHBondContact O-CB 3.29Å; E117-T120 PolarHBondContact O-N 3.28Å; E118-T120 PolarHBondContact O-N 2.89Å; T120-F123 PolarHBondContact O-N 2.84Å; T120-H124 VanDerWaalsContact O-CB 3.22Å; T120-H124 WeakPolarHBondContact O-CB 3.33Å; T120-H124 PolarHBondContact O-N 3.06Å
121K90.8Very high91.1Very high102 Ų10242.1 Ų42.144%0.44323%0.231SC..Hα-helixtrans-61.6-45.1178.3-68.2160.5-164.1161.70110.7E117 E118 G125E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.47Å; E117-K121 PolarHBondContact O-N 2.8Å; E118-K121 PolarHBondContact O-N 2.57Å; E118-K121 VanDerWaalsContact O-N 3.17Å; E118-K121 IonicContact OE1-NZ 2.83Å; E118-K121 PolarHBondContact OE1-NZ 2.91Å; K121-G125 PolarHBondContact O-N 2.92Å
122H89.2Confident90.6Very high97 Ų9745.4 Ų45.445%0.44925%0.251SS..Hα-helixtrans-64.4-46.3176.8-69.590000111.8E118 E119 G125 A126E118-H122 PolarHBondContact O-N 3.37Å; E118-H122 PolarHBondContact O-ND1 3.11Å; E119-H122 PolarHBondContact O-N 3.44Å; H122-G125 PolarHBondContact O-N 2.83Å; H122-A126 WeakPolarHBondContact O-CB 3.48Å; H122-A126 PolarHBondContact O-N 3.3Å
123F93Very high90Very high0 Ų051.1 Ų51.10%028%0.276CS..Hα-helixtrans-65.6-45.8-179.2-164.9-82000112.3A58 L60 I71 I101 L112 F114 E119 T120 A126 L127A58-F123 HydrophobicContact CB-CE2 4.09Å; A58-F123 HydrophobicContact CB-CZ 4.28Å; L60-F123 HydrophobicContact CB-CE2 3.85Å; L60-F123 HydrophobicContact CB-CZ 3.89Å; I71-F123 HydrophobicContact CD1-CE1 4.32Å; I71-F123 HydrophobicContact CG1-CE1 4.45Å; I71-F123 HydrophobicContact CG1-CZ 4.3Å; I71-F123 HydrophobicContact CG2-CZ 4.19Å; I101-F123 HydrophobicContact CD1-CD1 4.06Å; L112-F123 HydrophobicContact CD1-CE1 4.29Å; F114-F123 HydrophobicContact CE1-CB 3.88Å; F114-F123 HydrophobicContact CE1-CD1 4.44Å; F114-F123 HydrophobicContact CE1-CD2 4.1Å; F114-F123 AromaticContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CE1-CG 3.89Å; F114-F123 HydrophobicContact CZ-CB 3.81Å; F114-F123 AromaticContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD1 3.66Å; F114-F123 HydrophobicContact CZ-CD2 4.07Å; F114-F123 HydrophobicContact CZ-CE1 4.24Å; F114-F123 AromaticContact CZ-CG 3.57Å; F114-F123 HydrophobicContact CZ-CG 3.57Å; E119-F123 VanDerWaalsContact O-CB 3.27Å; E119-F123 WeakPolarHBondContact O-CB 3.46Å; E119-F123 PolarHBondContact O-N 3.02Å; T120-F123 PolarHBondContact O-N 2.84Å; F123-A126 PolarHBondContact O-N 2.71Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.79Å
124H92.1Very high89.1Confident37 Ų3751.2 Ų51.217%0.17127%0.273CS..Hα-helixtrans-64.4-40.6175.1-172.3-70.4000111.5D93 I101 T120 L127 T128D93-H124 IonicContact OD2-CD2 3.61Å; D93-H124 PolarHBondContact OD2-CD2 2.82Å; D93-H124 IonicContact OD2-CE1 2.67Å; D93-H124 IonicContact OD2-CG 2.7Å; D93-H124 IonicContact OD2-ND1 2.76Å; D93-H124 IonicContact OD2-NE2 2.61Å; D93-H124 PolarHBondContact OD2-NE2 2.83Å; I101-H124 HydrophobicContact CD1-CB 3.76Å; I101-H124 HydrophobicContact CG1-CB 4.46Å; T120-H124 VanDerWaalsContact O-CB 3.22Å; T120-H124 WeakPolarHBondContact O-CB 3.33Å; T120-H124 PolarHBondContact O-N 3.06Å; H124-L127 PolarHBondContact O-N 2.8Å; H124-T128 PolarHBondContact CE1-OG1 3.24Å; H124-T128 PolarHBondContact ND1-OG1 2.91Å; H124-T128 WeakPolarHBondContact O-CB 3.47Å; H124-T128 PolarHBondContact O-N 3.13Å; H124-T128 PolarHBondContact O-OG1 2.77Å; H124-T128 VanDerWaalsContact O-OG1 3.05Å
125G91.1Very high88.1Confident36 Ų3653.7 Ų53.737%0.37129%0.287SS..Hα-helixtrans-58.3-50.7175.100000111.7K121 H122 L127 T128 E129K121-G125 PolarHBondContact O-N 2.92Å; H122-G125 PolarHBondContact O-N 2.83Å; G125-L127 PolarHBondContact O-N 2.96Å; G125-T128 PolarHBondContact O-N 3.45Å; G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.46Å; G125-E129 PolarHBondContact O-N 3.29Å
126A90.7Very high87.3Confident24 Ų2458.2 Ų58.220%0.19829%0.286CS..Hα-helixtrans-60.8-41.3176.200000112.4L60 H122 F123 L130L60-A126 HydrophobicContact CD2-CB 3.82Å; H122-A126 WeakPolarHBondContact O-CB 3.48Å; H122-A126 PolarHBondContact O-N 3.3Å; F123-A126 PolarHBondContact O-N 2.71Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 3.2Å
127L90.5Very high86.3Confident0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-66.6-42.4179.3-173.855.7000112.8L60 I71 L87 F91 D93 F123 H124 G125 T131L60-L127 HydrophobicContact CD1-CD1 4.05Å; L60-L127 HydrophobicContact CD2-CB 4.43Å; I71-L127 HydrophobicContact CD1-CD1 4.31Å; I71-L127 HydrophobicContact CD1-CD2 4.08Å; L87-L127 HydrophobicContact CD1-CD1 3.56Å; L87-L127 HydrophobicContact CD2-CD1 3.81Å; L87-L127 HydrophobicContact CG-CD1 4.37Å; F91-L127 HydrophobicContact CD1-CD1 4.31Å; F91-L127 HydrophobicContact CE1-CD1 4.16Å; F91-L127 HydrophobicContact CE1-CD2 3.99Å; F91-L127 HydrophobicContact CE1-CG 4.26Å; D93-L127 HydrophobicContact CB-CD2 3.93Å; D93-L127 WeakPolarHBondContact OD2-CD2 3.49Å; F123-L127 HydrophobicContact CE1-CD2 4.38Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.46Å; F123-L127 PolarHBondContact O-N 2.79Å; H124-L127 PolarHBondContact O-N 2.8Å; G125-L127 PolarHBondContact O-N 2.96Å; L127-T131 WeakPolarHBondContact O-CB 3.46Å; L127-T131 PolarHBondContact O-N 2.86Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 2.93Å
128T89.2Confident84.8Confident57 Ų5762 Ų6235%0.3530%0.303SS..Hα-helixtrans-64.3-50.8173.7-66.50000110.9H124 G125 L130 T131 V132H124-T128 PolarHBondContact CE1-OG1 3.24Å; H124-T128 PolarHBondContact ND1-OG1 2.91Å; H124-T128 WeakPolarHBondContact O-CB 3.47Å; H124-T128 PolarHBondContact O-N 3.13Å; H124-T128 PolarHBondContact O-OG1 2.77Å; H124-T128 VanDerWaalsContact O-OG1 3.05Å; G125-T128 PolarHBondContact O-N 3.45Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.4Å; T128-T131 PolarHBondContact O-N 3.41Å; T128-V132 WeakPolarHBondContact O-CG2 3.43Å; T128-V132 PolarHBondContact O-N 2.67Å
129E89.1Confident83.4Confident101 Ų10164.8 Ų64.847%0.47232%0.316SS..Hα-helixtrans-62.4-42.7-177.9-163.4-148.1-161.800111.5G125 T131 V132 K133G125-E129 VanDerWaalsContact O-CB 3.31Å; G125-E129 WeakPolarHBondContact O-CB 3.46Å; G125-E129 PolarHBondContact O-N 3.29Å; E129-T131 VanDerWaalsContact C-N 3.33Å; E129-T131 PolarHBondContact O-N 3.36Å; E129-V132 PolarHBondContact O-N 2.7Å; E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.28Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.47Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.88Å; E129-K133 WeakPolarHBondContact OE2-CE 3.48Å; E129-K133 IonicContact OE2-NZ 3.01Å; E129-K133 PolarHBondContact OE2-NZ 3.13Å
130L87.3Confident81.9Confident15 Ų1571.5 Ų71.58%0.07934%0.344CS..Hα-helixtrans-57.4-45174.6176.865.1000112.1L34 L60 Y69 L87 A126 T128 K133 R134L34-L130 HydrophobicContact CD1-CD1 4.12Å; L34-L130 HydrophobicContact CD1-CD2 4.16Å; L60-L130 HydrophobicContact CD1-CD2 3.95Å; L60-L130 HydrophobicContact CD2-CD2 4.17Å; L60-L130 HydrophobicContact CG-CD2 4.32Å; Y69-L130 HydrophobicContact CD1-CD1 3.6Å; Y69-L130 HydrophobicContact CD1-CD2 3.69Å; Y69-L130 HydrophobicContact CD1-CG 4.22Å; Y69-L130 HydrophobicContact CD2-CD1 4.19Å; Y69-L130 HydrophobicContact CD2-CD2 4.44Å; Y69-L130 HydrophobicContact CE1-CD1 3.31Å; Y69-L130 HydrophobicContact CE1-CD2 4.31Å; Y69-L130 HydrophobicContact CE1-CG 4.38Å; Y69-L130 HydrophobicContact CE2-CD1 3.95Å; Y69-L130 HydrophobicContact CG-CD1 4.03Å; Y69-L130 HydrophobicContact CG-CD2 3.77Å; Y69-L130 HydrophobicContact CG-CG 4.33Å; L87-L130 HydrophobicContact CD1-CD2 3.89Å; A126-L130 WeakPolarHBondContact O-CB 3.46Å; A126-L130 PolarHBondContact O-N 3.2Å; T128-L130 VanDerWaalsContact C-N 3.34Å; T128-L130 PolarHBondContact O-N 3.4Å; L130-K133 PolarHBondContact O-N 3.41Å; L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 2.74Å
131T84.9Confident80.3Confident13 Ų1381.5 Ų81.58%0.0838%0.382CS..Hα-helixtrans-63.7-42.6178.6-63.50000111.2L127 T128 E129 N135L127-T131 WeakPolarHBondContact O-CB 3.46Å; L127-T131 PolarHBondContact O-N 2.86Å; L127-T131 VanDerWaalsContact O-N 3.14Å; L127-T131 PolarHBondContact O-OG1 2.93Å; T128-T131 PolarHBondContact O-N 3.41Å; E129-T131 VanDerWaalsContact C-N 3.33Å; E129-T131 PolarHBondContact O-N 3.36Å; T131-N135 WeakPolarHBondContact O-CB 3.31Å; T131-N135 PolarHBondContact O-N 3.4Å; T131-N135 PolarHBondContact O-OD1 3.23Å
132V84.6Confident78.5Confident68 Ų6886.1 Ų86.141%0.41240%0.397SS..Hα-helixtrans-66-48.4175.5174.90000111.9T128 E129 R134 N135 R136T128-V132 WeakPolarHBondContact O-CG2 3.43Å; T128-V132 PolarHBondContact O-N 2.67Å; E129-V132 PolarHBondContact O-N 2.7Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.85Å; V132-N135 PolarHBondContact O-N 3.4Å; V132-R136 PolarHBondContact O-N 3.45Å; V132-R136 VanDerWaalsContact O-N 3.09Å
133K82.8Confident76.9Confident121 Ų12188.3 Ų88.353%0.52641%0.412SS..Hα-helixtrans-54.9-45.6177.2-81.4174.8172.2166.90111.1E129 L130 K137E129-K133 HydrophobicContact CG-CD 4.22Å; E129-K133 WeakPolarHBondContact O-CB 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.28Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.47Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.88Å; E129-K133 WeakPolarHBondContact OE2-CE 3.48Å; E129-K133 IonicContact OE2-NZ 3.01Å; E129-K133 PolarHBondContact OE2-NZ 3.13Å; L130-K133 PolarHBondContact O-N 3.41Å; K133-K137 PolarHBondContact O-N 3.33Å
134R76.9Confident75.1Confident39 Ų3993.6 Ų93.615%0.14745%0.446CS..Hα-helixtrans-67.3-46.5177.2-175.8-173.557177.9-15.8112.2L87 Y88 L130 V132 R136 K137 T138L87-R134 PolarHBondContact O-NH1 3.17Å; Y88-R134 VanDerWaalsContact C-NH1 3.3Å; Y88-R134 PolarHBondContact O-NH1 2.79Å; Y88-R134 VanDerWaalsContact O-NH1 3.15Å; Y88-R134 PolarHBondContact O-NH2 2.79Å; L130-R134 WeakPolarHBondContact O-CB 3.41Å; L130-R134 PolarHBondContact O-N 2.74Å; V132-R134 VanDerWaalsContact C-N 3.3Å; V132-R134 PolarHBondContact O-N 2.85Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.99Å; R134-K137 CarbonylContact O-C 3.48Å; R134-K137 WeakPolarHBondContact O-CA 3.4Å; R134-K137 WeakPolarHBondContact O-CB 3.34Å; R134-K137 PolarHBondContact O-N 2.83Å; R134-T138 HydrophobicContact CG-CG2 4.43Å; R134-T138 PolarHBondContact O-N 3.42Å; R134-T138 PolarHBondContact O-OG1 2.58Å; R134-T138 VanDerWaalsContact O-OG1 3.13Å
135N73.8Confident73.5Confident59 Ų5997.9 Ų97.932%0.31648%0.477SS..Hα-helixtrans-57.4-45.6-177.7-74-3.7000111.3T131 V132 K137 T138 E139T131-N135 WeakPolarHBondContact O-CB 3.31Å; T131-N135 PolarHBondContact O-N 3.4Å; T131-N135 PolarHBondContact O-OD1 3.23Å; V132-N135 PolarHBondContact O-N 3.4Å; N135-K137 VanDerWaalsContact C-N 3.32Å; N135-K137 PolarHBondContact O-N 3.45Å; N135-T138 WeakPolarHBondContact CA-OG1 3.48Å; N135-T138 PolarHBondContact O-N 2.8Å; N135-T138 PolarHBondContact O-OG1 3.4Å; N135-E139 WeakPolarHBondContact O-CB 3.36Å; N135-E139 PolarHBondContact O-N 3.12Å
136R74.4Confident71.2Confident177 Ų177103.3 Ų103.367%0.66850%0.498SS*.Hα-helixtrans-58.7-39.8173.3-70.4178.6174.4-175.7-2.1112.8V132 R134 K140V132-R136 PolarHBondContact O-N 3.45Å; V132-R136 VanDerWaalsContact O-N 3.09Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 2.99Å; R136-K140 PolarHBondContact O-N 3.46Å; R136-K140 VanDerWaalsContact O-N 3.15Å
137K68.6Low69.1Low160 Ų160105 Ų10570%0.69652%0.518SS*.Hα-helixtrans-70.9-34.6178.2-170.3171-176169.90112.7K133 R134 N135 R141K133-K137 PolarHBondContact O-N 3.33Å; R134-K137 CarbonylContact O-C 3.48Å; R134-K137 WeakPolarHBondContact O-CA 3.4Å; R134-K137 WeakPolarHBondContact O-CB 3.34Å; R134-K137 PolarHBondContact O-N 2.83Å; N135-K137 VanDerWaalsContact C-N 3.32Å; N135-K137 PolarHBondContact O-N 3.45Å; K137-R141 PolarHBondContact O-N 3.02Å
138T61.8Low66.8Low51 Ų51110.1 Ų110.131%0.31355%0.551SS.*Hα-helixtrans-75-33173.943.90000112.9R134 N135 R141 R142R134-T138 HydrophobicContact CG-CG2 4.43Å; R134-T138 PolarHBondContact O-N 3.42Å; R134-T138 PolarHBondContact O-OG1 2.58Å; R134-T138 VanDerWaalsContact O-OG1 3.13Å; N135-T138 WeakPolarHBondContact CA-OG1 3.48Å; N135-T138 PolarHBondContact O-N 2.8Å; N135-T138 PolarHBondContact O-OG1 3.4Å; T138-R141 CarbonylContact O-C 3.59Å; T138-R141 PolarHBondContact O-N 3.33Å; T138-R141 VanDerWaalsContact O-N 3.15Å; T138-R142 PolarHBondContact O-N 2.72Å
139E59.6Low64.5Low146 Ų146112.2 Ų112.268%0.68257%0.574SS**Hα-helixtrans-65.9-47.7175.7-171.7171.1-166.800110.9N135 R141 R142N135-E139 WeakPolarHBondContact O-CB 3.36Å; N135-E139 PolarHBondContact O-N 3.12Å; E139-R141 PolarHBondContact O-N 3.34Å; E139-R142 PolarHBondContact O-N 3.04Å
140K58.1Low62Low198 Ų198114.8 Ų114.886%0.86159%0.591SS**THydrogen-bonded Turntrans-61.6-9.9170.5-74.5-168.5174.8-172.10114.9R136R136-K140 PolarHBondContact O-N 3.46Å; R136-K140 VanDerWaalsContact O-N 3.15Å
141R57.1Low59.8Low210 Ų210119.7 Ų119.779%0.79262%0.623SS**THydrogen-bonded Turntrans-110.1-1.8177-121-178.2-174.4-91.1-0.5113.8K137 T138 E139K137-R141 PolarHBondContact O-N 3.02Å; T138-R141 CarbonylContact O-C 3.59Å; T138-R141 PolarHBondContact O-N 3.33Å; T138-R141 VanDerWaalsContact O-N 3.15Å; E139-R141 PolarHBondContact O-N 3.34Å
142R54Low57.7Low199 Ų199128.4 Ų128.475%0.75167%0.665SS**SBendtrans-92.694.2165.9-77.3-178.1177.5175.40.5107.1T138 E139T138-R142 PolarHBondContact O-N 2.72Å; E139-R142 PolarHBondContact O-N 3.04Å
143D55.4Low55.4Low144 Ų144129 Ų12977%0.7768%0.678SS**PPolyproline II helixtrans-49142.5161-66.9-67000109.6
144P56Low53.9Low111 Ų111129.8 Ų129.872%0.72169%0.693SS**PPolyproline II helixtrans-60.1130.2-175.823.7-33.4000110.2N146P144-N146 PolarHBondContact O-N 3.06Å; P144-N146 VanDerWaalsContact O-N 3.12Å
145P57.1Low52.1Low126 Ų126135.2 Ų135.282%0.81872%0.723SS**SBendtrans-67.6118.3-178.927-33.1000109.9
146N42.7Very low50.2Low150 Ų150138.6 Ų138.680%0.80274%0.741SS**  trans67.868.3163.2-158.187000116.1P144P144-N146 PolarHBondContact O-N 3.06Å; P144-N146 VanDerWaalsContact O-N 3.12Å
147G46.7Very low48.7Very low60 Ų60137.6 Ų137.662%0.61975%0.747SS**  trans-62.7136.9150.600000110A149G147-A149 PolarHBondContact O-N 2.93Å
148P42Very low46.9Very low107 Ų107139 Ų13970%0.69575%0.753SS**  trans-65.1134.2177.627.4-33.5000109.9L150P148-L150 PolarHBondContact O-N 2.71Å
149A40.8Very low45.4Very low102 Ų102143.5 Ų143.584%0.84378%0.775SS**  trans-60.4109.517700000110.1G147 P151G147-A149 PolarHBondContact O-N 2.93Å; A149-P151 WeakPolarHBondContact O-CD 3.01Å
150L37.9Very low44.8Very low155 Ų155141 Ų14181%0.81277%0.772SS**  trans-72.2122.7173.4-64.7179.8000108.6P148 M152P148-L150 PolarHBondContact O-N 2.71Å; L150-M152 PolarHBondContact O-N 2.89Å
151P41.5Very low43.5Very low117 Ų117139.9 Ų139.976%0.7677%0.77SS**  trans-65.7135172.128-32.9000109A149 A153A149-P151 WeakPolarHBondContact O-CD 3.01Å; P151-A153 PolarHBondContact O-N 3.49Å
152M39.6Very low42.5Very low197 Ų197137.1 Ų137.197%0.9777%0.769SS**  trans-60.8111.5173.9-68.2-18068.300110L150L150-M152 PolarHBondContact O-N 2.89Å
153A36.7Very low41.3Very low81 Ų81132.5 Ų132.567%0.66977%0.768SS**  trans-112.596.8165.700000108.3P151 I155P151-A153 PolarHBondContact O-N 3.49Å; A153-I155 PolarHBondContact O-N 2.89Å
154T50.3Low40Very low137 Ų137132.7 Ų132.784%0.8477%0.768SS**  trans-65.6115.4162171.90000108.1
155I39.1Very low38.8Very low152 Ų152131.4 Ų131.478%0.77976%0.762SS**  trans-131112.7167.4-60.8-174.8000108.4A153A153-I155 PolarHBondContact O-N 2.89Å
156D35.1Very low37.6Very low131 Ų131132.6 Ų132.670%0.70176%0.756SS**  trans-64.5149.5179.7-160.5-112.6000111.8K158D156-K158 PolarHBondContact O-N 2.89Å
157I41.5Very low37.2Very low156 Ų156134.3 Ų134.380%0.875%0.751SS**  trans-81113.1179.2-63.8169.1000109.8
158K32.3Very low36.6Very low189 Ų189138.9 Ų138.982%0.82276%0.755SS**  trans-152.4114.7154.6-109.5146.1-170.8162.60113.8D156D156-K158 PolarHBondContact O-N 2.89Å
159N30Very low36.3Very low145 Ų145141.4 Ų141.478%0.77576%0.757SS**  trans-78.9177.1163.8-15226.3000109.2
160P47.3Very low35.8Very low94 Ų94143.2 Ų143.261%0.6175%0.753SS**  cis-128.1-172.1-23.718.76.6000113
161E30.8Very low35.6Very low174 Ų174141.8 Ų141.881%0.81375%0.745SS**  trans68.3135.1154.6-75.2-72.9123.800120.7
162I36.5Very low35.5Very low153 Ų153140.5 Ų140.579%0.78574%0.74SS**  trans142.5103.9138.6-70.2163.3000113.5
163S28.7Very low35.5Very low102 Ų102137.9 Ų137.971%0.71373%0.725SS**  trans39.6109.7130.2-144.10000122.5
164N26.9Very low35.5Very low147 Ų147141.4 Ų141.479%0.78673%0.729SS**  72153.9120.6-155.920.7000122.5
165S31.2Very low34.7Very low84 Ų84141.7 Ų141.759%0.58773%0.726SS**  trans79.3102.9157.431.20000122.5
166H32.8Very low34.3Very low151 Ų151138.4 Ų138.470%0.69972%0.716SS**  98.6110.7118.2-80-39.7000124.2
167R32.7Very low34.4Very low186 Ų186139.4 Ų139.470%0.70272%0.721SS**  trans73.6150.6141.6-49.1169-166-177.43.4116.4
168F34.6Very low34.1Very low157 Ų157138.8 Ų138.869%0.68972%0.724SS**  cis-142.6147.417.3-76-101.4000112.6
169H36.8Very low34.1Very low160 Ų160139.4 Ų139.474%0.74173%0.729SS**  trans46.2149.3138.7-60.266.9000121
170N29.6Very low34.2Very low140 Ų140136.2 Ų136.275%0.74973%0.731SS**  cis-159.2138.618-153.1-0.3000114.1
171N33.3Very low33.6Very low124 Ų124137 Ų13766%0.66374%0.739SS**  trans24.2122144.3-167.551.6000122.6
172S40.5Very low33.8Very low91 Ų91138.2 Ų138.264%0.63674%0.741SS**  -174108.697.5-163.80000115.3
173Q38Very low34.6Very low141 Ų141136.2 Ų136.266%0.65974%0.739SS**  trans56.3107.4142.5-56.8-173.4-16.300120.4
174M37.4Very low34.9Very low155 Ų155143.4 Ų143.476%0.76475%0.75SS**  78.214585.3106.9172.396.100114.1
175N33Very low35.3Very low144 Ų144147.7 Ų147.777%0.7776%0.755SS**  cis-160.6122.6-14.9-154.335.3000105.6
176S31.8Very low35.7Very low83 Ų83151.5 Ų151.558%0.5877%0.767SS**  64.3119.193.5-157.10000118.1
177L37.4Very low35.9Very low152 Ų152152.3 Ų152.380%0.79677%0.769SS**  trans60.4134147.4-92.758.1000121.8
178V34Very low36.5Very low143 Ų143153.3 Ų153.387%0.86778%0.778SS**  -173.2166.794.2-82.10000113.3
179H33.3Very low36.7Very low201 Ų201153.4 Ų153.493%0.93178%0.781SS**  trans-68.9166.5-172.6-67.9-69.5000118.1
180G30.7Very low36.8Very low78 Ų78155.4 Ų155.480%0.80479%0.787SS**  trans172.6124.4152.500000116.1
181S34.8Very low37.4Very low111 Ų111155.3 Ų155.378%0.77679%0.792SS**  trans-97.6136.8-177.2-61.50000114.3
182F35.9Very low37.9Very low199 Ų199158.4 Ų158.487%0.87380%0.799SS**  trans40.5169.5151-64.5-67.4000122
183P53.9Low38.7Very low112 Ų112164.2 Ų164.273%0.72781%0.813SS**  cis-126.6164.5-48.537.2-23.9000112.1
184R33.6Very low39.6Very low253 Ų253166.8 Ų166.896%0.95582%0.822SS**  trans-141.1126.5162.1-96.2-172.5-91.1-124.8-0.4113.1
185R36.8Very low40.7Very low237 Ų237170.5 Ų170.589%0.89483%0.828SS**  trans-69.1152.5165-66.8176.5173.3175.5-2.1109.8
186I39.3Very low42.1Very low163 Ų163170.9 Ų170.984%0.83683%0.829SS**  -179147.6123.2-94.9155.2000112.4
187K36.4Very low43.5Very low168 Ų168170.8 Ų170.873%0.7383%0.825SS**  trans72.3109.8165.5-109.1-179.1171.7-162.90120.8E189K187-E189 IonicContact NZ-OE1 3.25Å; K187-E189 PolarHBondContact NZ-OE1 2.71Å
188K44.4Very low44.5Very low207 Ų207172.9 Ų172.990%0.983%0.827SS**  trans-68137.9146.9-72.9176.3171.7177.40109.3
189E38.9Very low45.8Very low159 Ų159170.2 Ų170.274%0.74382%0.821SS**  trans-146162.9156.4-138.4161.6-116.800111.3K187K187-E189 IonicContact NZ-OE1 3.25Å; K187-E189 PolarHBondContact NZ-OE1 2.71Å
190K39.6Very low46.8Very low202 Ų202165.4 Ų165.488%0.87880%0.802SS**  trans-80.4138.3-153.5-66.7172176.9174.90113.8K192K190-K192 PolarHBondContact O-N 3.15Å
191V42.3Very low48Very low139 Ų139168 Ų16884%0.84280%0.796SS**  trans-65113.91761800000111.1
192K44.4Very low49.1Very low189 Ų189165.3 Ų165.382%0.82279%0.785SS**  trans-105.2125.6152.8-76.6-175.8175.3-179.30107.4K190 K194K190-K192 PolarHBondContact O-N 3.15Å; K192-K194 PolarHBondContact O-N 3.12Å
193K57.3Low50.2Low212 Ų212161.9 Ų161.992%0.92278%0.781SS**  trans-55113.2-179.6-65.9-178.4177.4-179.50109.9
194K56.5Low50Low196 Ų196161.2 Ų161.285%0.85278%0.776SS**PPolyproline II helixtrans-102.4150.5167.3-75.5-174.7176.7-1790109.1K192K192-K194 PolarHBondContact O-N 3.12Å
195R60.3Low50.9Low233 Ų233154.6 Ų154.688%0.87977%0.769SS**PPolyproline II helixtrans-65.6136.4179.5-66.416260.8-172.3-0.3109.3T197R195-T197 PolarHBondContact O-N 3.38Å
196L61.8Low51.4Low152 Ų152150.2 Ų150.280%0.79676%0.763SS**PPolyproline II helixtrans-54.5134.8175.5-71.3155.7000110.3D200L196-D200 HydrophobicContact CD2-CB 3.73Å
197T61.8Low51.6Low81 Ų81150.6 Ų150.650%0.49776%0.759SS.*  trans-110.1165.4177.163.80000110.2R195 A199 D200R195-T197 PolarHBondContact O-N 3.38Å; T197-A199 PolarHBondContact O-N 3.24Å; T197-D200 PolarHBondContact N-OD2 2.86Å; T197-D200 WeakPolarHBondContact O-CB 3.41Å; T197-D200 PolarHBondContact O-N 3.47Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å
198K57.6Low52.5Low195 Ų195148.5 Ų148.585%0.84875%0.752SS**THydrogen-bonded Turntrans-64.3-9.7-179.2-160.3172.8-179.7-179.70113.7
199A61.6Low52.5Low88 Ų88146 Ų14673%0.72774%0.743SS**THydrogen-bonded Turntrans-85.5-17.6171.500000113.7T197T197-A199 PolarHBondContact O-N 3.24Å
200D55.8Low53.2Low99 Ų99142.5 Ų142.553%0.52973%0.733SS.*THydrogen-bonded Turntrans-83-17.4176.4-57.2-62.5000112.1L196 T197 G202L196-D200 HydrophobicContact CD2-CB 3.73Å; T197-D200 PolarHBondContact N-OD2 2.86Å; T197-D200 WeakPolarHBondContact O-CB 3.41Å; T197-D200 PolarHBondContact O-N 3.47Å; T197-D200 PolarHBondContact OG1-OD2 3.13Å; D200-G202 PolarHBondContact O-N 3.35Å
201I54.5Low53.8Low134 Ų134136.5 Ų136.569%0.68771%0.71SS**SBendtrans-86.686.5166.5-49.8174.5000106.8
202G59.4Low54.6Low54 Ų54136.8 Ų136.856%0.55770%0.702SS**  trans-55.2150.9175.400000111.8D200D200-G202 PolarHBondContact O-N 3.35Å
203T58.2Low55.6Low127 Ų127128.3 Ų128.378%0.77967%0.665SS**SBendtrans-49.2137.4168.143.60000109.8S205T203-S205 PolarHBondContact O-N 2.84Å
204P49.1Very low56Low97 Ų97118.6 Ų118.663%0.6363%0.625SS**  trans-48.597.7-171.918.1-34.2000112.8N206 F207P204-N206 VanDerWaalsContact C-N 3.26Å; P204-N206 PolarHBondContact O-N 2.99Å; P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CB-CE2 3.86Å; P204-F207 HydrophobicContact CG-CD2 4.21Å; P204-F207 HydrophobicContact CG-CE2 3.57Å; P204-F207 HydrophobicContact CG-CZ 4.47Å; P204-F207 WeakPolarHBondContact O-CD2 3.37Å
205S51.9Low57.1Low114 Ų114110.4 Ų110.480%0.79759%0.589SS**THydrogen-bonded Turntrans-95.443-170.1178.90000111T203T203-S205 PolarHBondContact O-N 2.84Å
206N48.3Very low57.7Low146 Ų146102.6 Ų102.678%0.78157%0.565SS**THydrogen-bonded Turntrans-149.717-178.6-113.9102.2000113.1P204 Q208P204-N206 VanDerWaalsContact C-N 3.26Å; P204-N206 PolarHBondContact O-N 2.99Å; N206-Q208 PolarHBondContact O-N 2.79Å
207F43.2Very low58.2Low170 Ų17098.8 Ų98.875%0.74655%0.55SS*.  trans-64.999.8169.6-83-69000109.8P204P204-F207 HydrophobicContact CB-CD2 4.18Å; P204-F207 HydrophobicContact CB-CE2 3.86Å; P204-F207 HydrophobicContact CG-CD2 4.21Å; P204-F207 HydrophobicContact CG-CE2 3.57Å; P204-F207 HydrophobicContact CG-CZ 4.47Å; P204-F207 WeakPolarHBondContact O-CD2 3.37Å
208Q54.7Low58.6Low124 Ų124101.5 Ų101.558%0.57956%0.561SS**  trans-75.2123.1164.5-68.1-179.5-63.500108.1N206 V210 G261N206-Q208 PolarHBondContact O-N 2.79Å; Q208-V210 VanDerWaalsContact C-N 3.34Å; Q208-V210 PolarHBondContact O-N 2.95Å; Q208-G261 PolarHBondContact NE2-O 2.84Å
209H46.3Very low59.4Low154 Ų15496.7 Ų96.771%0.71355%0.548SS*.  trans-69.796.7163.5-76.9-168.6000108N211H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.2Å
210V52.3Low60.1Low86 Ų8692.5 Ų92.552%0.52151%0.514SS..  trans-7491.1164.7-175.30000106.5Q208 H212Q208-V210 VanDerWaalsContact C-N 3.34Å; Q208-V210 PolarHBondContact O-N 2.95Å; V210-H212 PolarHBondContact O-N 2.93Å
211N53.5Low61.3Low76 Ų7688 Ų8841%0.40649%0.489SS..  trans-55.5135170-81-2.3000108.8H209 I213 V263H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.2Å; N211-I213 PolarHBondContact O-N 3.42Å; N211-I213 VanDerWaalsContact O-N 3.15Å; N211-V263 WeakPolarHBondContact O-CG2 3.37Å
212H58.8Low62.3Low146 Ų14683.9 Ų83.968%0.67647%0.469SS*.  trans-72.9110.5-176.4-173.91.6000109.7V210 G214 W215V210-H212 PolarHBondContact O-N 2.93Å; H212-G214 PolarHBondContact O-N 3.24Å; H212-W215 PolarHBondContact CE1-O 3.14Å
213I64.1Low62.8Low10 Ų1084.9 Ų84.95%0.05146%0.46CS..  trans-7013.1-173-39.4169.3000113.6N211 W215 F221 L230 Y254 I257 V263N211-I213 PolarHBondContact O-N 3.42Å; N211-I213 VanDerWaalsContact O-N 3.15Å; I213-W215 HydrophobicContact CB-CB 4.43Å; I213-W215 PolarHBondContact O-N 2.96Å; I213-F221 HydrophobicContact CB-CE1 4.24Å; I213-F221 HydrophobicContact CG2-CD1 3.97Å; I213-F221 HydrophobicContact CG2-CE1 3.65Å; I213-L230 HydrophobicContact CG2-CD1 3.33Å; I213-Y254 HydrophobicContact CD1-CD2 3.82Å; I213-Y254 HydrophobicContact CD1-CE2 3.79Å; I213-I257 HydrophobicContact CD1-CG2 4.09Å; I213-V263 HydrophobicContact CD1-CG2 3.61Å; I213-V263 HydrophobicContact CG1-CG1 4.47Å; I213-V263 HydrophobicContact CG1-CG2 3.37Å
214G66.8Low63.5Low8 Ų885.8 Ų85.88%0.08246%0.46CS..SBendtrans612.9-164.700000114.6H212 N216 D222H212-G214 PolarHBondContact O-N 3.24Å; G214-N216 PolarHBondContact O-ND2 2.82Å; G214-D222 WeakPolarHBondContact O-CB 3.29Å; G214-D222 PolarHBondContact O-N 2.97Å
215W78.6Confident64.5Low25 Ų2586.7 Ų86.710%0.09546%0.46CS..EExtended strand (participates in β ladder)trans-76.5134179.8-17579.1000112.2H212 I213 P217 G220 F221 S250 K251 Y254H212-W215 PolarHBondContact CE1-O 3.14Å; I213-W215 HydrophobicContact CB-CB 4.43Å; I213-W215 PolarHBondContact O-N 2.96Å; W215-P217 HydrophobicContact CE3-CG 4.47Å; W215-P217 HydrophobicContact CH2-CB 3.91Å; W215-P217 HydrophobicContact CH2-CG 3.75Å; W215-P217 HydrophobicContact CZ2-CB 4.48Å; W215-P217 HydrophobicContact CZ3-CB 4.34Å; W215-P217 HydrophobicContact CZ3-CG 3.66Å; W215-G220 WeakPolarHBondContact CA-O 3.22Å; W215-G220 VanDerWaalsContact CD1-C 3.41Å; W215-F221 HydrophobicContact CB-CD1 3.71Å; W215-F221 HydrophobicContact CB-CE1 3.74Å; W215-F221 HydrophobicContact CB-CG 4.28Å; W215-F221 HydrophobicContact CB-CZ 4.34Å; W215-F221 AromaticContact CD1-CD1 3.89Å; W215-F221 AromaticContact CD1-CD2 3.51Å; W215-F221 AromaticContact CD1-CE1 3.96Å; W215-F221 AromaticContact CD1-CE2 3.59Å; W215-F221 AromaticContact CD1-CG 3.66Å; W215-F221 AromaticContact CD1-CZ 3.8Å; W215-F221 HydrophobicContact CG-CD1 4.17Å; W215-F221 HydrophobicContact CG-CD2 4.48Å; W215-F221 HydrophobicContact CG-CE1 4.08Å; W215-F221 HydrophobicContact CG-CE2 4.4Å; W215-F221 HydrophobicContact CG-CG 4.36Å; W215-F221 HydrophobicContact CG-CZ 4.19Å; W215-S250 PolarHBondContact NE1-O 3.24Å; W215-S250 PolarHBondContact NE1-OG 2.88Å; W215-S250 VanDerWaalsContact NE1-OG 3.09Å; W215-K251 HydrophobicContact CH2-CB 4.36Å; W215-K251 HydrophobicContact CH2-CG 4.16Å; W215-K251 HydrophobicContact CZ2-CB 3.79Å; W215-K251 HydrophobicContact CZ2-CG 4.1Å; W215-Y254 HydrophobicContact CB-CD2 3.87Å; W215-Y254 HydrophobicContact CB-CE2 4.37Å; W215-Y254 AromaticContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CE2 4.33Å; W215-Y254 AromaticContact CD2-CG 3.78Å; W215-Y254 HydrophobicContact CD2-CG 3.78Å; W215-Y254 AromaticContact CE3-CD1 3.98Å; W215-Y254 HydrophobicContact CE3-CD1 3.98Å; W215-Y254 AromaticContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CD2 3.4Å; W215-Y254 VanDerWaalsContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CE1 4.26Å; W215-Y254 AromaticContact CE3-CE2 3.72Å; W215-Y254 HydrophobicContact CE3-CE2 3.72Å; W215-Y254 AromaticContact CE3-CG 3.55Å; W215-Y254 HydrophobicContact CE3-CG 3.55Å; W215-Y254 AromaticContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CG 4.31Å; W215-Y254 HydrophobicContact CH2-CD1 4.45Å; W215-Y254 HydrophobicContact CH2-CG 4.44Å; W215-Y254 AromaticContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD2 4.16Å; W215-Y254 HydrophobicContact CZ3-CE1 4.16Å; W215-Y254 HydrophobicContact CZ3-CE2 4.42Å; W215-Y254 AromaticContact CZ3-CG 3.89Å; W215-Y254 HydrophobicContact CZ3-CG 3.89Å
216N72.5Confident65.7Low68 Ų6882.4 Ų82.436%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-129.5132.9177.8-77.9-76.3000110.4G214 N218 T219 G220G214-N216 PolarHBondContact O-ND2 2.82Å; N216-N218 PolarHBondContact O-N 3.25Å; N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.37Å; N216-T219 VanDerWaalsContact O-N 3.13Å; N216-G220 PolarHBondContact N-O 3.06Å; N216-G220 PolarHBondContact O-N 3.47Å
217P72.5Confident67.2Low73 Ų7377.8 Ų77.847%0.47440%0.403SS..THydrogen-bonded Turntrans-58.4-13.1-179.3-24.231.2000116.5W215W215-P217 HydrophobicContact CE3-CG 4.47Å; W215-P217 HydrophobicContact CH2-CB 3.91Å; W215-P217 HydrophobicContact CH2-CG 3.75Å; W215-P217 HydrophobicContact CZ2-CB 4.48Å; W215-P217 HydrophobicContact CZ3-CB 4.34Å; W215-P217 HydrophobicContact CZ3-CG 3.66Å
218N71.7Confident69Low137 Ų13774.3 Ų74.373%0.73340%0.397SS*.THydrogen-bonded Turntrans-109.8-17.3-176.5-60.5-33000113.5N216N216-N218 PolarHBondContact O-N 3.25Å
219T73.1Confident70.2Confident94 Ų9471.1 Ų71.158%0.57738%0.382SS*.THydrogen-bonded Turntrans-133.93.8-172.967.50000113.9N216N216-T219 WeakPolarHBondContact CB-OG1 3.41Å; N216-T219 PolarHBondContact O-N 3.37Å; N216-T219 VanDerWaalsContact O-N 3.13Å
220G77.6Confident71.8Confident1 Ų163.9 Ų63.91%0.0135%0.349CS..EExtended strand (participates in β ladder)trans72.2-154.2-176.800000113.3W215 N216 S250W215-G220 WeakPolarHBondContact CA-O 3.22Å; W215-G220 VanDerWaalsContact CD1-C 3.41Å; N216-G220 PolarHBondContact N-O 3.06Å; N216-G220 PolarHBondContact O-N 3.47Å; G220-S250 WeakPolarHBondContact CA-OG 3.35Å
221F80.6Confident73.2Confident4 Ų465.8 Ų65.82%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-79.9124.5177.2-74.2-86.1000111.6I213 W215 M223 L226 F234 L244 S250 I253I213-F221 HydrophobicContact CB-CE1 4.24Å; I213-F221 HydrophobicContact CG2-CD1 3.97Å; I213-F221 HydrophobicContact CG2-CE1 3.65Å; W215-F221 HydrophobicContact CB-CD1 3.71Å; W215-F221 HydrophobicContact CB-CE1 3.74Å; W215-F221 HydrophobicContact CB-CG 4.28Å; W215-F221 HydrophobicContact CB-CZ 4.34Å; W215-F221 AromaticContact CD1-CD1 3.89Å; W215-F221 AromaticContact CD1-CD2 3.51Å; W215-F221 AromaticContact CD1-CE1 3.96Å; W215-F221 AromaticContact CD1-CE2 3.59Å; W215-F221 AromaticContact CD1-CG 3.66Å; W215-F221 AromaticContact CD1-CZ 3.8Å; W215-F221 HydrophobicContact CG-CD1 4.17Å; W215-F221 HydrophobicContact CG-CD2 4.48Å; W215-F221 HydrophobicContact CG-CE1 4.08Å; W215-F221 HydrophobicContact CG-CE2 4.4Å; W215-F221 HydrophobicContact CG-CG 4.36Å; W215-F221 HydrophobicContact CG-CZ 4.19Å; F221-M223 PolarHBondContact O-N 3.43Å; F221-M223 VanDerWaalsContact O-N 3.13Å; F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CD1-CD1 3.81Å; F221-L226 HydrophobicContact CG-CD1 4.06Å; F221-F234 HydrophobicContact CE1-CZ 4.34Å; F221-F234 HydrophobicContact CZ-CZ 4.32Å; F221-L244 HydrophobicContact CB-CD2 3.98Å; F221-L244 HydrophobicContact CB-CG 3.83Å; F221-L244 HydrophobicContact CD2-CD1 4.04Å; F221-L244 HydrophobicContact CD2-CD2 4.49Å; F221-L244 HydrophobicContact CD2-CG 3.64Å; F221-L244 HydrophobicContact CE2-CD1 4.41Å; F221-L244 HydrophobicContact CE2-CG 4.47Å; F221-L244 HydrophobicContact CG-CD2 4.31Å; F221-L244 HydrophobicContact CG-CG 3.91Å; F221-L244 PolarHBondContact N-O 3.14Å; F221-S250 VanDerWaalsContact CE2-O 3.28Å; F221-S250 WeakPolarHBondContact CE2-O 3.46Å; F221-I253 HydrophobicContact CE2-CB 3.95Å; F221-I253 HydrophobicContact CE2-CG2 3.83Å; F221-I253 HydrophobicContact CZ-CB 4.25Å; F221-I253 HydrophobicContact CZ-CG2 3.8Å
222D76.1Confident74.7Confident48 Ų4865.9 Ų65.926%0.25735%0.351SS..  trans-74.7100.3168.3179.614.5000111.2G214 N224 N225 L226G214-D222 WeakPolarHBondContact O-CB 3.29Å; G214-D222 PolarHBondContact O-N 2.97Å; D222-N224 PolarHBondContact O-N 3.05Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.14Å; D222-N224 PolarHBondContact OD1-N 3.34Å; D222-N224 PolarHBondContact OD1-ND2 3.41Å; D222-N225 PolarHBondContact O-N 2.91Å; D222-N225 VanDerWaalsContact O-N 3.12Å; D222-N225 PolarHBondContact OD2-ND2 3.43Å; D222-L226 PolarHBondContact O-N 2.89Å
223M69.3Low75.9Confident75 Ų7559 Ų5937%0.36932%0.319SS..G310 helixtrans-56.3-25.2178.1-59.3152.456.900114.3F221 N225 E241 K245F221-M223 PolarHBondContact O-N 3.43Å; F221-M223 VanDerWaalsContact O-N 3.13Å; M223-N225 VanDerWaalsContact C-N 3.31Å; M223-E241 HydrophobicContact CE-CG 3.62Å; M223-E241 WeakPolarHBondContact CE-OE1 3.36Å; M223-E241 WeakPolarHBondContact CE-OE2 3.46Å; M223-E241 HydrophobicContact CG-CG 4.45Å; M223-E241 VanDerWaalsContact SD-CD 3.54Å; M223-E241 HydrophobicContact SD-CG 3.46Å; M223-E241 WeakPolarHBondContact SD-CG 3.22Å; M223-K245 WeakPolarHBondContact SD-CE 3.49Å
224N71.9Confident76.9Confident146 Ų14658.6 Ų58.678%0.78132%0.317SS*.G310 helixtrans-75.7-24.5-178.1-55-76000112D222D222-N224 PolarHBondContact O-N 3.05Å; D222-N224 VanDerWaalsContact O-N 3.12Å; D222-N224 WeakPolarHBondContact OD1-CB 3.14Å; D222-N224 PolarHBondContact OD1-N 3.34Å; D222-N224 PolarHBondContact OD1-ND2 3.41Å
225N71.3Confident77.8Confident116 Ų11663 Ų6362%0.6234%0.338SS*.G310 helixtrans-113.216.3179.3-72.1-73.7000112.1D222 M223D222-N225 PolarHBondContact O-N 2.91Å; D222-N225 VanDerWaalsContact O-N 3.12Å; D222-N225 PolarHBondContact OD2-ND2 3.43Å; M223-N225 VanDerWaalsContact C-N 3.31Å
226L76.4Confident77.9Confident23 Ų2366 Ų6612%0.1236%0.356CS..  trans-86.1127.6-175.7-158.6128.8000111.6F221 D222 L230 K231 F234 L244F221-L226 HydrophobicContact CB-CD1 3.73Å; F221-L226 HydrophobicContact CD1-CD1 3.81Å; F221-L226 HydrophobicContact CG-CD1 4.06Å; D222-L226 PolarHBondContact O-N 2.89Å; L226-L230 HydrophobicContact CD2-CB 4.06Å; L226-K231 HydrophobicContact CD2-CB 3.71Å; L226-F234 HydrophobicContact CD1-CE2 4.09Å; L226-F234 HydrophobicContact CD2-CD2 4.09Å; L226-F234 HydrophobicContact CD2-CE2 3.98Å; L226-F234 HydrophobicContact CG-CE2 4.49Å; L226-L244 HydrophobicContact CD1-CD2 3.76Å
227D79.7Confident78.4Confident49 Ų4963.1 Ų63.126%0.26234%0.341SS..  trans-58.5131.2-178.1-109.8-3.4000111.4E229 L230 K231 K267D227-E229 PolarHBondContact O-N 3.44Å; D227-E229 VanDerWaalsContact O-N 3.15Å; D227-L230 HydrophobicContact CB-CB 4.33Å; D227-L230 HydrophobicContact CB-CD1 3.91Å; D227-L230 HydrophobicContact CB-CG 3.94Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.98Å; D227-K231 PolarHBondContact O-N 2.92Å; D227-K267 VanDerWaalsContact CG-NZ 3.32Å; D227-K267 IonicContact OD1-NZ 3.5Å; D227-K267 IonicContact OD2-NZ 2.72Å; D227-K267 PolarHBondContact OD2-NZ 2.89Å
228P81.6Confident78.8Confident98 Ų9862.5 Ų62.564%0.63635%0.349SS*.Hα-helixtrans-56.5-32.8-178-28.635.8000114.7K231 N232P228-K231 PolarHBondContact O-N 2.96Å; P228-N232 WeakPolarHBondContact O-CB 3.34Å; P228-N232 PolarHBondContact O-N 3.41Å
229E79.7Confident79.4Confident57 Ų5756.5 Ų56.527%0.26632%0.316SS..Hα-helixtrans-71.8-29175.5-59.8103.9143.800113.2D227 L233 K267D227-E229 PolarHBondContact O-N 3.44Å; D227-E229 VanDerWaalsContact O-N 3.15Å; E229-L233 PolarHBondContact O-N 2.89Å; E229-K267 HydrophobicContact CB-CG 4.22Å; E229-K267 VanDerWaalsContact CD-CE 3.44Å; E229-K267 HydrophobicContact CG-CG 4.43Å; E229-K267 VanDerWaalsContact OE1-CE 3.29Å; E229-K267 WeakPolarHBondContact OE1-CE 3.19Å; E229-K267 IonicContact OE1-NZ 3.41Å; E229-K267 VanDerWaalsContact OE2-CE 3.27Å; E229-K267 WeakPolarHBondContact OE2-CE 3.45Å; E229-K267 IonicContact OE2-NZ 3.75Å; E229-K267 PolarHBondContact OE2-NZ 3.01Å
230L79.9Confident79.7Confident2 Ų254.7 Ų54.71%0.0131%0.307CS..Hα-helixtrans-76.5-38.2172.9-61.3177.6000111.1I213 L226 D227 N232 L233 F234 V263 V266I213-L230 HydrophobicContact CG2-CD1 3.33Å; L226-L230 HydrophobicContact CD2-CB 4.06Å; D227-L230 HydrophobicContact CB-CB 4.33Å; D227-L230 HydrophobicContact CB-CD1 3.91Å; D227-L230 HydrophobicContact CB-CG 3.94Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.98Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 3.13Å; L230-L233 WeakPolarHBondContact O-CB 3.01Å; L230-L233 PolarHBondContact O-N 3.45Å; L230-L233 VanDerWaalsContact O-N 3.14Å; L230-F234 HydrophobicContact CB-CE2 3.98Å; L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 WeakPolarHBondContact O-CG 3.31Å; L230-F234 PolarHBondContact O-N 2.76Å; L230-V263 HydrophobicContact CD1-CG1 3.71Å; L230-V263 HydrophobicContact CD2-CG1 4.14Å; L230-V263 HydrophobicContact CG-CG1 4.29Å; L230-V266 HydrophobicContact CD2-CG1 4.24Å
231K82.6Confident79.8Confident125 Ų12559.6 Ų59.654%0.54333%0.33SS..Hα-helixtrans-56.1-48.1171.2-174.1172.6178.8173.30110.1L226 D227 P228 L233 F234 D235L226-K231 HydrophobicContact CD2-CB 3.71Å; D227-K231 PolarHBondContact O-N 2.92Å; P228-K231 PolarHBondContact O-N 2.96Å; K231-L233 VanDerWaalsContact C-N 3.33Å; K231-L233 PolarHBondContact O-N 3.17Å; K231-F234 PolarHBondContact O-N 3.04Å; K231-F234 VanDerWaalsContact O-N 3.14Å; K231-D235 WeakPolarHBondContact O-CB 3.46Å; K231-D235 PolarHBondContact O-N 3.26Å
232N83.8Confident79.8Confident79 Ų7962.9 Ų62.942%0.42236%0.358SS..Hα-helixtrans-62.3-36.7176.1-173.3-117.5000113.3P228 L230 L236P228-N232 WeakPolarHBondContact O-CB 3.34Å; P228-N232 PolarHBondContact O-N 3.41Å; L230-N232 VanDerWaalsContact C-N 3.27Å; L230-N232 PolarHBondContact O-N 3.13Å; N232-L236 VanDerWaalsContact O-CB 3.24Å; N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CD1 3.28Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 2.98Å; N232-L236 WeakPolarHBondContact OD1-CD1 3.46Å
233L84.4Confident80Confident0 Ų063.4 Ų63.40%036%0.359CS..Hα-helixtrans-60.6-44.7171.9-179.882.2000111.8E229 L230 K231 L236 A237 V266 V270 I464 V465 L468E229-L233 PolarHBondContact O-N 2.89Å; L230-L233 WeakPolarHBondContact O-CB 3.01Å; L230-L233 PolarHBondContact O-N 3.45Å; L230-L233 VanDerWaalsContact O-N 3.14Å; K231-L233 VanDerWaalsContact C-N 3.33Å; K231-L233 PolarHBondContact O-N 3.17Å; L233-L236 PolarHBondContact O-N 2.86Å; L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.9Å; L233-V266 HydrophobicContact CD1-CG1 4.39Å; L233-V266 HydrophobicContact CD2-CG1 3.52Å; L233-V270 HydrophobicContact CB-CG2 4.34Å; L233-V270 HydrophobicContact CD1-CG2 3.52Å; L233-V270 HydrophobicContact CG-CG2 4.47Å; L233-I464 HydrophobicContact CD1-CG2 3.86Å; L233-V465 HydrophobicContact CD1-CG2 3.67Å; L233-L468 HydrophobicContact CD2-CD2 3.93Å; L233-L468 HydrophobicContact CG-CD2 4.1Å
234F85.4Confident80.6Confident3 Ų360.5 Ų60.51%0.01335%0.345CS..Hα-helixtrans-69-43.3179.4-57.7-35.9000111.6F221 L226 L230 K231 L236 A237 G238 I239 L244 I253 I257 L468F221-F234 HydrophobicContact CE1-CZ 4.34Å; F221-F234 HydrophobicContact CZ-CZ 4.32Å; L226-F234 HydrophobicContact CD1-CE2 4.09Å; L226-F234 HydrophobicContact CD2-CD2 4.09Å; L226-F234 HydrophobicContact CD2-CE2 3.98Å; L226-F234 HydrophobicContact CG-CE2 4.49Å; L230-F234 HydrophobicContact CB-CE2 3.98Å; L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 WeakPolarHBondContact O-CD2 3.5Å; L230-F234 WeakPolarHBondContact O-CG 3.31Å; L230-F234 PolarHBondContact O-N 2.76Å; K231-F234 PolarHBondContact O-N 3.04Å; K231-F234 VanDerWaalsContact O-N 3.14Å; F234-L236 VanDerWaalsContact C-N 3.33Å; F234-L236 PolarHBondContact O-N 2.61Å; F234-A237 CarbonylContact O-C 3.58Å; F234-A237 PolarHBondContact O-N 3.41Å; F234-G238 PolarHBondContact O-N 3.36Å; F234-G238 VanDerWaalsContact O-N 3.12Å; F234-I239 HydrophobicContact CB-CB 4.15Å; F234-I239 HydrophobicContact CD1-CD1 4.1Å; F234-I239 PolarHBondContact O-N 2.63Å; F234-L244 HydrophobicContact CB-CD1 4.36Å; F234-L244 HydrophobicContact CD1-CD1 4.27Å; F234-L244 HydrophobicContact CD2-CD1 3.64Å; F234-L244 HydrophobicContact CD2-CD2 3.73Å; F234-L244 HydrophobicContact CD2-CG 4.31Å; F234-L244 HydrophobicContact CE2-CD1 3.94Å; F234-L244 HydrophobicContact CE2-CD2 4.05Å; F234-L244 HydrophobicContact CE2-CG 4.48Å; F234-L244 HydrophobicContact CG-CD1 3.83Å; F234-L244 HydrophobicContact CZ-CD1 4.37Å; F234-I253 HydrophobicContact CD1-CG2 4.24Å; F234-I253 HydrophobicContact CE1-CG2 3.38Å; F234-I253 HydrophobicContact CZ-CG2 3.82Å; F234-I257 HydrophobicContact CE1-CD1 4.09Å; F234-I257 HydrophobicContact CZ-CD1 3.89Å; F234-L468 HydrophobicContact CD1-CD2 4.07Å; F234-L468 HydrophobicContact CE1-CD2 4.21Å
235D84.8Confident81.1Confident99 Ų9958.5 Ų58.553%0.52933%0.329SS..Hα-helixtrans-57.4-44.9172.8-62.1-29.6000110.9K231 G238K231-D235 WeakPolarHBondContact O-CB 3.46Å; K231-D235 PolarHBondContact O-N 3.26Å; D235-G238 PolarHBondContact O-N 3.43Å
236L82.1Confident81.6Confident89 Ų8956.1 Ų56.147%0.46632%0.316SS..Hα-helixtrans-68.4-31176.7-81.3164.4000113.7N232 L233 F234 G238 V465 M469N232-L236 VanDerWaalsContact O-CB 3.24Å; N232-L236 WeakPolarHBondContact O-CB 3.32Å; N232-L236 WeakPolarHBondContact O-CD1 3.28Å; N232-L236 VanDerWaalsContact O-CG 3.26Å; N232-L236 WeakPolarHBondContact O-CG 3.48Å; N232-L236 PolarHBondContact O-N 2.98Å; N232-L236 WeakPolarHBondContact OD1-CD1 3.46Å; L233-L236 PolarHBondContact O-N 2.86Å; F234-L236 VanDerWaalsContact C-N 3.33Å; F234-L236 PolarHBondContact O-N 2.61Å; L236-G238 VanDerWaalsContact C-N 3.28Å; L236-V465 HydrophobicContact CB-CG1 3.9Å; L236-V465 HydrophobicContact CB-CG2 4.24Å; L236-V465 HydrophobicContact CD1-CG2 4.38Å; L236-M469 WeakPolarHBondContact O-CE 3.3Å
237A82.4Confident81.9Confident7 Ų761.4 Ų61.46%0.05834%0.338CS..THydrogen-bonded Turntrans-82.9-2.8176.800000113.2L233 F234 I239 L468L233-A237 VanDerWaalsContact O-CB 3.27Å; L233-A237 WeakPolarHBondContact O-CB 3.28Å; L233-A237 PolarHBondContact O-N 2.9Å; F234-A237 CarbonylContact O-C 3.58Å; F234-A237 PolarHBondContact O-N 3.41Å; A237-I239 VanDerWaalsContact C-N 3.33Å; A237-I239 HydrophobicContact CB-CD1 3.96Å; A237-I239 HydrophobicContact CB-CG1 4.01Å; A237-L468 HydrophobicContact CB-CD2 4.02Å; A237-L468 HydrophobicContact CB-CG 4.14Å
238G81.4Confident82Confident61 Ų6164.5 Ų64.563%0.62935%0.351SS*.THydrogen-bonded Turntrans74.519-17700000114.3F234 D235 L236F234-G238 PolarHBondContact O-N 3.36Å; F234-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 PolarHBondContact O-N 3.43Å; L236-G238 VanDerWaalsContact C-N 3.28Å
239I82.9Confident82Confident10 Ų1060.2 Ų60.25%0.05132%0.323CS..  trans-86116.9-177.1-59.8173.9000109.5F234 A237 Q243 L244 I253 L468 M472F234-I239 HydrophobicContact CB-CB 4.15Å; F234-I239 HydrophobicContact CD1-CD1 4.1Å; F234-I239 PolarHBondContact O-N 2.63Å; A237-I239 VanDerWaalsContact C-N 3.33Å; A237-I239 HydrophobicContact CB-CD1 3.96Å; A237-I239 HydrophobicContact CB-CG1 4.01Å; I239-Q243 HydrophobicContact CG2-CB 3.94Å; I239-L244 HydrophobicContact CG2-CD1 3.71Å; I239-I253 HydrophobicContact CD1-CD1 3.92Å; I239-I253 HydrophobicContact CD1-CG1 4.16Å; I239-I253 HydrophobicContact CG2-CD1 3.77Å; I239-L468 HydrophobicContact CD1-CD1 4.12Å; I239-L468 HydrophobicContact CD1-CD2 3.74Å; I239-L468 HydrophobicContact CD1-CG 3.82Å; I239-M472 HydrophobicContact CD1-CG 3.8Å; I239-M472 HydrophobicContact CD1-SD 4.47Å; I239-M472 HydrophobicContact CG1-CG 4Å
240S80.6Confident82.2Confident56 Ų5657.6 Ų57.639%0.39231%0.311SS..  trans-77.3160.2-179.966.70000113.2A242 Q243 L244S240-A242 PolarHBondContact O-N 3.09Å; S240-Q243 PolarHBondContact O-N 3.22Å; S240-Q243 VanDerWaalsContact O-N 3.13Å; S240-Q243 PolarHBondContact OG-N 3.09Å; S240-Q243 PolarHBondContact OG-OE1 2.98Å; S240-L244 PolarHBondContact O-N 2.61Å; S240-L244 VanDerWaalsContact O-N 3.1Å
241E79Confident82.5Confident105 Ų10562.2 Ų62.249%0.49133%0.331SS..Hα-helixtrans-54.6-36.4173.8-171.9-174130.100112.9M223 L244 K245M223-E241 HydrophobicContact CE-CG 3.62Å; M223-E241 WeakPolarHBondContact CE-OE1 3.36Å; M223-E241 WeakPolarHBondContact CE-OE2 3.46Å; M223-E241 HydrophobicContact CG-CG 4.45Å; M223-E241 VanDerWaalsContact SD-CD 3.54Å; M223-E241 HydrophobicContact SD-CG 3.46Å; M223-E241 WeakPolarHBondContact SD-CG 3.22Å; E241-L244 WeakPolarHBondContact O-CB 3.36Å; E241-L244 PolarHBondContact O-N 2.67Å; E241-K245 PolarHBondContact O-N 2.9Å; E241-K245 VanDerWaalsContact O-N 3.09Å; E241-K245 WeakPolarHBondContact OE1-CE 3.38Å; E241-K245 IonicContact OE1-NZ 2.99Å; E241-K245 PolarHBondContact OE1-NZ 2.97Å
242A80.3Confident82.6Confident72 Ų7257.9 Ų57.960%0.59532%0.319SS*.Hα-helixtrans-63.4-44.2178.300000111.6S240 L244 K245 D246S240-A242 PolarHBondContact O-N 3.09Å; A242-L244 VanDerWaalsContact C-N 3.27Å; A242-L244 PolarHBondContact O-N 2.9Å; A242-K245 PolarHBondContact O-N 3.49Å; A242-D246 PolarHBondContact O-N 3.21Å
243Q80.6Confident82.7Confident60 Ų6054.1 Ų54.128%0.2830%0.299SS..Hα-helixtrans-67.1-27175.1-73.8163.2-38.600112.8I239 S240 T249 S250I239-Q243 HydrophobicContact CG2-CB 3.94Å; S240-Q243 PolarHBondContact O-N 3.22Å; S240-Q243 VanDerWaalsContact O-N 3.13Å; S240-Q243 PolarHBondContact OG-N 3.09Å; S240-Q243 PolarHBondContact OG-OE1 2.98Å; Q243-T249 HydrophobicContact CB-CG2 3.79Å; Q243-T249 HydrophobicContact CG-CG2 4.23Å; Q243-T249 WeakPolarHBondContact O-CB 3.42Å; Q243-T249 WeakPolarHBondContact O-CG2 3.44Å; Q243-S250 PolarHBondContact O-N 2.82Å
244L81.4Confident82.7Confident14 Ų1456.7 Ų56.77%0.07331%0.309CS..Hα-helixtrans-76.3-25.2175.4-130.771.7000113.1F221 L226 F234 I239 S240 E241 A242 S250 I253F221-L244 HydrophobicContact CB-CD2 3.98Å; F221-L244 HydrophobicContact CB-CG 3.83Å; F221-L244 HydrophobicContact CD2-CD1 4.04Å; F221-L244 HydrophobicContact CD2-CD2 4.49Å; F221-L244 HydrophobicContact CD2-CG 3.64Å; F221-L244 HydrophobicContact CE2-CD1 4.41Å; F221-L244 HydrophobicContact CE2-CG 4.47Å; F221-L244 HydrophobicContact CG-CD2 4.31Å; F221-L244 HydrophobicContact CG-CG 3.91Å; F221-L244 PolarHBondContact N-O 3.14Å; L226-L244 HydrophobicContact CD1-CD2 3.76Å; F234-L244 HydrophobicContact CB-CD1 4.36Å; F234-L244 HydrophobicContact CD1-CD1 4.27Å; F234-L244 HydrophobicContact CD2-CD1 3.64Å; F234-L244 HydrophobicContact CD2-CD2 3.73Å; F234-L244 HydrophobicContact CD2-CG 4.31Å; F234-L244 HydrophobicContact CE2-CD1 3.94Å; F234-L244 HydrophobicContact CE2-CD2 4.05Å; F234-L244 HydrophobicContact CE2-CG 4.48Å; F234-L244 HydrophobicContact CG-CD1 3.83Å; F234-L244 HydrophobicContact CZ-CD1 4.37Å; I239-L244 HydrophobicContact CG2-CD1 3.71Å; S240-L244 PolarHBondContact O-N 2.61Å; S240-L244 VanDerWaalsContact O-N 3.1Å; E241-L244 WeakPolarHBondContact O-CB 3.36Å; E241-L244 PolarHBondContact O-N 2.67Å; A242-L244 VanDerWaalsContact C-N 3.27Å; A242-L244 PolarHBondContact O-N 2.9Å; L244-S250 VanDerWaalsContact O-CB 3.32Å; L244-S250 WeakPolarHBondContact O-CB 3.37Å; L244-I253 HydrophobicContact CD1-CD1 3.99Å
245K82.1Confident82.8Confident104 Ų10459.6 Ų59.645%0.45232%0.324SS..Hα-helixtrans-89.1-29.8172.8-72.1174.4179.1167.70113.2M223 E241 A242 K247M223-K245 WeakPolarHBondContact SD-CE 3.49Å; E241-K245 PolarHBondContact O-N 2.9Å; E241-K245 VanDerWaalsContact O-N 3.09Å; E241-K245 WeakPolarHBondContact OE1-CE 3.38Å; E241-K245 IonicContact OE1-NZ 2.99Å; E241-K245 PolarHBondContact OE1-NZ 2.97Å; A242-K245 PolarHBondContact O-N 3.49Å; K245-K247 PolarHBondContact O-N 3.13Å
246D83.3Confident82.8Confident65 Ų6556.3 Ų56.335%0.34831%0.305SS..SBendtrans-56.5133.8177.1172.447.3000111A242 E248 T249 S250A242-D246 PolarHBondContact O-N 3.21Å; D246-E248 PolarHBondContact O-N 3.22Å; D246-E248 PolarHBondContact OD2-N 3.15Å; D246-T249 WeakPolarHBondContact OD2-CB 3.38Å; D246-T249 PolarHBondContact OD2-N 3.5Å; D246-T249 PolarHBondContact OD2-OG1 2.81Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.1Å; D246-S250 PolarHBondContact O-OG 3.06Å
247K81.6Confident83Confident135 Ų13552.1 Ų52.159%0.58728%0.284SS*.Hα-helixtrans-68.4-37.6-169.6-175.9-178.8176.3-172.40112.2K245 S250 K251K245-K247 PolarHBondContact O-N 3.13Å; K247-S250 PolarHBondContact O-OG 3.03Å; K247-K251 WeakPolarHBondContact O-CB 3.39Å; K247-K251 PolarHBondContact O-N 3.01Å
248E81.4Confident83Confident113 Ų11357.6 Ų57.653%0.52831%0.308SS..Hα-helixtrans-85.9-44.2-176.1-157.8-148.6125.900111.1D246 K251 A252 R475D246-E248 PolarHBondContact O-N 3.22Å; D246-E248 PolarHBondContact OD2-N 3.15Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 PolarHBondContact O-N 3.33Å; E248-A252 PolarHBondContact O-N 3.02Å; E248-R475 IonicContact OE1-CZ 3.63Å; E248-R475 VanDerWaalsContact OE1-CZ 3.22Å; E248-R475 IonicContact OE1-NE 2.67Å; E248-R475 PolarHBondContact OE1-NE 3.06Å; E248-R475 IonicContact OE1-NH2 3.81Å; E248-R475 PolarHBondContact OE1-NH2 2.96Å; E248-R475 IonicContact OE2-NH2 2.61Å; E248-R475 PolarHBondContact OE2-NH2 3.3Å
249T82.9Confident83.1Confident9 Ų963.5 Ų63.56%0.05532%0.316CS..Hα-helixtrans-63.1-45.9175.6-51.90000111.6Q243 D246 K251 A252 I253 M472 R475Q243-T249 HydrophobicContact CB-CG2 3.79Å; Q243-T249 HydrophobicContact CG-CG2 4.23Å; Q243-T249 WeakPolarHBondContact O-CB 3.42Å; Q243-T249 WeakPolarHBondContact O-CG2 3.44Å; D246-T249 WeakPolarHBondContact OD2-CB 3.38Å; D246-T249 PolarHBondContact OD2-N 3.5Å; D246-T249 PolarHBondContact OD2-OG1 2.81Å; T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.91Å; T249-A252 WeakPolarHBondContact O-CB 3.09Å; T249-A252 PolarHBondContact O-N 3.15Å; T249-A252 VanDerWaalsContact O-N 3.14Å; T249-I253 HydrophobicContact CG2-CD1 3.95Å; T249-I253 VanDerWaalsContact O-CG1 3.3Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å; T249-M472 HydrophobicContact CG2-CE 3.58Å; T249-M472 HydrophobicContact CG2-SD 3.87Å; T249-R475 PolarHBondContact OG1-NH1 2.91Å
250S83.8Confident83Confident1 Ų166.2 Ų66.21%0.00733%0.331CS..Hα-helixtrans-63.2-35.6176.768.50000112.3W215 G220 F221 Q243 L244 D246 K247 I253 Y254W215-S250 PolarHBondContact NE1-O 3.24Å; W215-S250 PolarHBondContact NE1-OG 2.88Å; W215-S250 VanDerWaalsContact NE1-OG 3.09Å; G220-S250 WeakPolarHBondContact CA-OG 3.35Å; F221-S250 VanDerWaalsContact CE2-O 3.28Å; F221-S250 WeakPolarHBondContact CE2-O 3.46Å; Q243-S250 PolarHBondContact O-N 2.82Å; L244-S250 VanDerWaalsContact O-CB 3.32Å; L244-S250 WeakPolarHBondContact O-CB 3.37Å; D246-S250 WeakPolarHBondContact O-CB 3.39Å; D246-S250 PolarHBondContact O-N 3.1Å; D246-S250 PolarHBondContact O-OG 3.06Å; K247-S250 PolarHBondContact O-OG 3.03Å; S250-I253 PolarHBondContact O-N 3.05Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.87Å
251K85.6Confident82.8Confident99 Ų9964.8 Ų64.843%0.4333%0.325SS..Hα-helixtrans-64.9-44172.3-174.4-172.2166.7-65.80111.4W215 K247 E248 T249 I253 Y254 D255W215-K251 HydrophobicContact CH2-CB 4.36Å; W215-K251 HydrophobicContact CH2-CG 4.16Å; W215-K251 HydrophobicContact CZ2-CB 3.79Å; W215-K251 HydrophobicContact CZ2-CG 4.1Å; K247-K251 WeakPolarHBondContact O-CB 3.39Å; K247-K251 PolarHBondContact O-N 3.01Å; E248-K251 WeakPolarHBondContact O-CB 3.41Å; E248-K251 PolarHBondContact O-N 3.33Å; T249-K251 VanDerWaalsContact C-N 3.28Å; T249-K251 PolarHBondContact O-N 2.91Å; K251-I253 VanDerWaalsContact C-N 3.32Å; K251-I253 PolarHBondContact O-N 2.83Å; K251-Y254 PolarHBondContact O-N 3.15Å; K251-D255 IonicContact NZ-OD1 2.85Å; K251-D255 IonicContact NZ-OD2 3.22Å; K251-D255 PolarHBondContact NZ-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.28Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 3.25Å
252A85.1Confident82.9Confident35 Ų3560.2 Ų60.229%0.28931%0.306SS..Hα-helixtrans-61.1-41.3177.600000112E248 T249 F256E248-A252 PolarHBondContact O-N 3.02Å; T249-A252 WeakPolarHBondContact O-CB 3.09Å; T249-A252 PolarHBondContact O-N 3.15Å; T249-A252 VanDerWaalsContact O-N 3.14Å; A252-F256 WeakPolarHBondContact O-CB 3.3Å; A252-F256 PolarHBondContact O-N 3.04Å
253I85.3Confident82.6Confident0 Ų056.9 Ų56.90%028%0.278CS..Hα-helixtrans-65.7-41.4174.9-63.9162.1000111F221 F234 I239 L244 T249 S250 K251 F256 I257 L468 M472F221-I253 HydrophobicContact CE2-CB 3.95Å; F221-I253 HydrophobicContact CE2-CG2 3.83Å; F221-I253 HydrophobicContact CZ-CB 4.25Å; F221-I253 HydrophobicContact CZ-CG2 3.8Å; F234-I253 HydrophobicContact CD1-CG2 4.24Å; F234-I253 HydrophobicContact CE1-CG2 3.38Å; F234-I253 HydrophobicContact CZ-CG2 3.82Å; I239-I253 HydrophobicContact CD1-CD1 3.92Å; I239-I253 HydrophobicContact CD1-CG1 4.16Å; I239-I253 HydrophobicContact CG2-CD1 3.77Å; L244-I253 HydrophobicContact CD1-CD1 3.99Å; T249-I253 HydrophobicContact CG2-CD1 3.95Å; T249-I253 VanDerWaalsContact O-CG1 3.3Å; T249-I253 WeakPolarHBondContact O-CG1 3.34Å; T249-I253 PolarHBondContact O-N 2.92Å; S250-I253 PolarHBondContact O-N 3.05Å; K251-I253 VanDerWaalsContact C-N 3.32Å; K251-I253 PolarHBondContact O-N 2.83Å; I253-F256 PolarHBondContact O-N 3.36Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 WeakPolarHBondContact O-CG1 3.44Å; I253-I257 PolarHBondContact O-N 3.11Å; I253-L468 HydrophobicContact CG1-CD1 4.42Å; I253-M472 HydrophobicContact CD1-SD 4.34Å; I253-M472 HydrophobicContact CG1-SD 4.08Å
254Y85.3Confident82.4Confident53 Ų5357.6 Ų57.621%0.20828%0.281CS..Hα-helixtrans-62.2-50.5175.2-178-87.7000111.9I213 W215 S250 K251 F256 I257 E258I213-Y254 HydrophobicContact CD1-CD2 3.82Å; I213-Y254 HydrophobicContact CD1-CE2 3.79Å; W215-Y254 HydrophobicContact CB-CD2 3.87Å; W215-Y254 HydrophobicContact CB-CE2 4.37Å; W215-Y254 AromaticContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CD2 3.63Å; W215-Y254 HydrophobicContact CD2-CE2 4.33Å; W215-Y254 AromaticContact CD2-CG 3.78Å; W215-Y254 HydrophobicContact CD2-CG 3.78Å; W215-Y254 AromaticContact CE3-CD1 3.98Å; W215-Y254 HydrophobicContact CE3-CD1 3.98Å; W215-Y254 AromaticContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CD2 3.4Å; W215-Y254 VanDerWaalsContact CE3-CD2 3.4Å; W215-Y254 HydrophobicContact CE3-CE1 4.26Å; W215-Y254 AromaticContact CE3-CE2 3.72Å; W215-Y254 HydrophobicContact CE3-CE2 3.72Å; W215-Y254 AromaticContact CE3-CG 3.55Å; W215-Y254 HydrophobicContact CE3-CG 3.55Å; W215-Y254 AromaticContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CD2 3.82Å; W215-Y254 HydrophobicContact CG-CG 4.31Å; W215-Y254 HydrophobicContact CH2-CD1 4.45Å; W215-Y254 HydrophobicContact CH2-CG 4.44Å; W215-Y254 AromaticContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD1 3.88Å; W215-Y254 HydrophobicContact CZ3-CD2 4.16Å; W215-Y254 HydrophobicContact CZ3-CE1 4.16Å; W215-Y254 HydrophobicContact CZ3-CE2 4.42Å; W215-Y254 AromaticContact CZ3-CG 3.89Å; W215-Y254 HydrophobicContact CZ3-CG 3.89Å; S250-Y254 WeakPolarHBondContact O-CB 3.4Å; S250-Y254 PolarHBondContact O-N 2.87Å; K251-Y254 PolarHBondContact O-N 3.15Å; Y254-F256 PolarHBondContact O-N 2.81Å; Y254-I257 PolarHBondContact O-N 3.09Å; Y254-I257 VanDerWaalsContact O-N 3.13Å; Y254-E258 PolarHBondContact O-N 3.33Å
255D85.9Confident82.4Confident64 Ų6458.8 Ų58.834%0.34229%0.294SS..Hα-helixtrans-59.7-35.6178.2-69.7-7.6000111.2K251 K259K251-D255 IonicContact NZ-OD1 2.85Å; K251-D255 IonicContact NZ-OD2 3.22Å; K251-D255 PolarHBondContact NZ-OD2 3.38Å; K251-D255 WeakPolarHBondContact O-CB 3.28Å; K251-D255 VanDerWaalsContact O-CG 3.26Å; K251-D255 PolarHBondContact O-N 3.25Å; D255-K259 WeakPolarHBondContact O-CB 3.42Å; D255-K259 PolarHBondContact O-N 2.95Å
256F86.3Confident82.3Confident30 Ų3054 Ų5413%0.13227%0.273CS..Hα-helixtrans-65.7-47.3173.7-179.3-85.8000112A252 I253 Y254 E258 K259 N260 I464 A467 L468 A471A252-F256 WeakPolarHBondContact O-CB 3.3Å; A252-F256 PolarHBondContact O-N 3.04Å; I253-F256 PolarHBondContact O-N 3.36Å; Y254-F256 PolarHBondContact O-N 2.81Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.08Å; F256-K259 PolarHBondContact O-N 3.05Å; F256-N260 WeakPolarHBondContact O-CB 3.18Å; F256-N260 PolarHBondContact O-N 2.97Å; F256-N260 PolarHBondContact O-OD1 2.85Å; F256-I464 HydrophobicContact CE1-CD1 3.52Å; F256-I464 HydrophobicContact CE1-CG1 4.23Å; F256-I464 HydrophobicContact CZ-CD1 3.9Å; F256-A467 HydrophobicContact CE2-CB 4.24Å; F256-A467 HydrophobicContact CZ-CB 3.77Å; F256-L468 HydrophobicContact CB-CD1 4.47Å; F256-L468 HydrophobicContact CD1-CB 4.24Å; F256-L468 HydrophobicContact CD1-CD1 3.74Å; F256-L468 HydrophobicContact CD1-CG 4.46Å; F256-L468 HydrophobicContact CE1-CB 3.65Å; F256-L468 HydrophobicContact CE1-CD1 4.06Å; F256-L468 HydrophobicContact CE1-CG 4.33Å; F256-L468 HydrophobicContact CG-CD1 4.01Å; F256-L468 HydrophobicContact CZ-CB 3.85Å; F256-L468 VanDerWaalsContact CZ-N 3.32Å; F256-A471 HydrophobicContact CD2-CB 4.18Å; F256-A471 HydrophobicContact CE2-CB 4.25Å
257I85.1Confident82Confident2 Ų252.7 Ų52.71%0.0126%0.264CS..Hα-helixtrans-61.8-41.8176.6-68.1165.4000110.8I213 F234 I253 Y254 N260 G262 V263 V266I213-I257 HydrophobicContact CD1-CG2 4.09Å; F234-I257 HydrophobicContact CE1-CD1 4.09Å; F234-I257 HydrophobicContact CZ-CD1 3.89Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 WeakPolarHBondContact O-CG1 3.44Å; I253-I257 PolarHBondContact O-N 3.11Å; Y254-I257 PolarHBondContact O-N 3.09Å; Y254-I257 VanDerWaalsContact O-N 3.13Å; I257-N260 PolarHBondContact O-N 3.03Å; I257-G262 VanDerWaalsContact O-CA 3.23Å; I257-G262 WeakPolarHBondContact O-CA 3.4Å; I257-G262 PolarHBondContact O-N 3.44Å; I257-V263 HydrophobicContact CG2-CG2 4.46Å; I257-V266 HydrophobicContact CG2-CG2 4.18Å
258E82.8Confident81.9Confident122 Ų12250.3 Ų50.357%0.5726%0.258SS*.Hα-helixtrans-62.7-48.9176-172.7174.3-154.900111.3Y254 F256 N260 G261 G262Y254-E258 PolarHBondContact O-N 3.33Å; F256-E258 VanDerWaalsContact C-N 3.33Å; F256-E258 PolarHBondContact O-N 3.08Å; E258-N260 PolarHBondContact O-N 3.33Å; E258-G261 PolarHBondContact O-N 3.32Å; E258-G262 PolarHBondContact O-N 2.89Å
259K84.3Confident81.6Confident184 Ų18448.7 Ų48.780%0.825%0.25SS*.Hα-helixtrans-59.6-29.9178.5-172.7174.8-177.7179.20113.2D255 F256 G261D255-K259 WeakPolarHBondContact O-CB 3.42Å; D255-K259 PolarHBondContact O-N 2.95Å; F256-K259 PolarHBondContact O-N 3.05Å; K259-G261 VanDerWaalsContact C-N 3.27Å; K259-G261 PolarHBondContact O-N 2.74Å
260N80.6Confident81.2Confident68 Ų6849 Ų4936%0.36425%0.252SS..THydrogen-bonded Turntrans-89.517.7178.8-74.954.8000113.8F256 I257 E258 A265 V266 I464F256-N260 WeakPolarHBondContact O-CB 3.18Å; F256-N260 PolarHBondContact O-N 2.97Å; F256-N260 PolarHBondContact O-OD1 2.85Å; I257-N260 PolarHBondContact O-N 3.03Å; E258-N260 PolarHBondContact O-N 3.33Å; N260-A265 WeakPolarHBondContact O-CB 3.34Å; N260-V266 HydrophobicContact CB-CG2 4.27Å; N260-I464 HydrophobicContact CB-CD1 3.82Å; N260-I464 WeakPolarHBondContact ND2-CD1 3.18Å
261G76.8Confident80.8Confident25 Ų2557.5 Ų57.526%0.25828%0.284SS..THydrogen-bonded Turntrans94.813.9173.900000114.3Q208 E258 K259 A265Q208-G261 PolarHBondContact NE2-O 2.84Å; E258-G261 PolarHBondContact O-N 3.32Å; K259-G261 VanDerWaalsContact C-N 3.27Å; K259-G261 PolarHBondContact O-N 2.74Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å
262G79.6Confident80.2Confident9 Ų962.5 Ų62.59%0.09330%0.3CS..  trans82.6176.6178.400000114.3I257 E258 E264 A265 V266I257-G262 VanDerWaalsContact O-CA 3.23Å; I257-G262 WeakPolarHBondContact O-CA 3.4Å; I257-G262 PolarHBondContact O-N 3.44Å; E258-G262 PolarHBondContact O-N 2.89Å; G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.22Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 2.93Å; G262-V266 PolarHBondContact O-N 3.43Å
263V75.3Confident79.1Confident3 Ų364.6 Ų64.62%0.01830%0.304CS..Hα-helixtrans-49.1-49.8-174.1-159.60000113.1N211 I213 L230 I257 A265 V266 K267N211-V263 WeakPolarHBondContact O-CG2 3.37Å; I213-V263 HydrophobicContact CD1-CG2 3.61Å; I213-V263 HydrophobicContact CG1-CG1 4.47Å; I213-V263 HydrophobicContact CG1-CG2 3.37Å; L230-V263 HydrophobicContact CD1-CG1 3.71Å; L230-V263 HydrophobicContact CD2-CG1 4.14Å; L230-V263 HydrophobicContact CG-CG1 4.29Å; I257-V263 HydrophobicContact CG2-CG2 4.46Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.49Å; V263-V266 PolarHBondContact O-N 3.13Å; V263-K267 WeakPolarHBondContact O-CB 3.45Å; V263-K267 PolarHBondContact O-N 3.24Å
264E75.4Confident77.8Confident74 Ų7467.1 Ų67.135%0.34633%0.325SS..Hα-helixtrans-67.2-31.4-175.8-69.5-66.3105.900112G262 N268G262-E264 VanDerWaalsContact C-N 3.32Å; G262-E264 PolarHBondContact O-N 3.22Å; E264-N268 VanDerWaalsContact O-CB 3.22Å; E264-N268 WeakPolarHBondContact O-CB 3.24Å; E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.12Å
265A81.5Confident76.3Confident40 Ų4070 Ų7033%0.33135%0.351SS..Hα-helixtrans-69.3-48.2174.700000110.7N260 G261 G262 V263 N268 E269N260-A265 WeakPolarHBondContact O-CB 3.34Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å; G262-A265 WeakPolarHBondContact O-CB 3.44Å; G262-A265 PolarHBondContact O-N 2.93Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.49Å; A265-N268 PolarHBondContact O-N 2.89Å; A265-E269 WeakPolarHBondContact O-CB 3.33Å; A265-E269 PolarHBondContact O-N 2.98Å
266V79.7Confident74.7Confident2 Ų272.6 Ų72.61%0.01237%0.371CS..Hα-helixtrans-60.6-47.7177.1171.90000111.5L230 L233 I257 N260 G262 V263 N268 E269 V270 I464L230-V266 HydrophobicContact CD2-CG1 4.24Å; L233-V266 HydrophobicContact CD1-CG1 4.39Å; L233-V266 HydrophobicContact CD2-CG1 3.52Å; I257-V266 HydrophobicContact CG2-CG2 4.18Å; N260-V266 HydrophobicContact CB-CG2 4.27Å; G262-V266 PolarHBondContact O-N 3.43Å; V263-V266 PolarHBondContact O-N 3.13Å; V266-N268 PolarHBondContact O-N 3.3Å; V266-E269 PolarHBondContact O-N 3.18Å; V266-E269 VanDerWaalsContact O-N 3.15Å; V266-V270 WeakPolarHBondContact O-CG2 3.47Å; V266-V270 PolarHBondContact O-N 2.88Å; V266-I464 HydrophobicContact CB-CG1 4.47Å; V266-I464 HydrophobicContact CG1-CG1 4Å; V266-I464 HydrophobicContact CG2-CD1 4.15Å; V266-I464 HydrophobicContact CG2-CG1 4.07Å
267K77.8Confident73.2Confident38 Ų3876.7 Ų76.717%0.16540%0.4CS..Hα-helixtrans-62.2-41177.9178.6163.5170.9141.80112.5D227 E229 V263 E269 R271D227-K267 VanDerWaalsContact CG-NZ 3.32Å; D227-K267 IonicContact OD1-NZ 3.5Å; D227-K267 IonicContact OD2-NZ 2.72Å; D227-K267 PolarHBondContact OD2-NZ 2.89Å; E229-K267 HydrophobicContact CB-CG 4.22Å; E229-K267 VanDerWaalsContact CD-CE 3.44Å; E229-K267 HydrophobicContact CG-CG 4.43Å; E229-K267 VanDerWaalsContact OE1-CE 3.29Å; E229-K267 WeakPolarHBondContact OE1-CE 3.19Å; E229-K267 IonicContact OE1-NZ 3.41Å; E229-K267 VanDerWaalsContact OE2-CE 3.27Å; E229-K267 WeakPolarHBondContact OE2-CE 3.45Å; E229-K267 IonicContact OE2-NZ 3.75Å; E229-K267 PolarHBondContact OE2-NZ 3.01Å; V263-K267 WeakPolarHBondContact O-CB 3.45Å; V263-K267 PolarHBondContact O-N 3.24Å; K267-E269 VanDerWaalsContact C-N 3.33Å; K267-R271 VanDerWaalsContact O-CB 3.25Å; K267-R271 WeakPolarHBondContact O-CB 3.41Å; K267-R271 PolarHBondContact O-N 3.41Å
268N78.6Confident71.7Confident86 Ų8682 Ų8246%0.4644%0.435SS..Hα-helixtrans-67.4-32.9174-80.7-52.5000112.7E264 A265 V266 R272E264-N268 VanDerWaalsContact O-CB 3.22Å; E264-N268 WeakPolarHBondContact O-CB 3.24Å; E264-N268 VanDerWaalsContact O-CG 3.25Å; E264-N268 PolarHBondContact O-N 3.27Å; E264-N268 PolarHBondContact O-ND2 3.12Å; A265-N268 PolarHBondContact O-N 2.89Å; V266-N268 PolarHBondContact O-N 3.3Å; N268-R272 WeakPolarHBondContact O-CB 3.39Å; N268-R272 VanDerWaalsContact O-CG 3.26Å; N268-R272 WeakPolarHBondContact O-CG 3.27Å; N268-R272 PolarHBondContact O-N 2.9Å
269E76.8Confident70.4Confident78 Ų7881.4 Ų81.436%0.36444%0.442SS..Hα-helixtrans-72.6-45.9176.9-170.154.3-147.800111.7A265 V266 K267 R271 R272 Q273 I464A265-E269 WeakPolarHBondContact O-CB 3.33Å; A265-E269 PolarHBondContact O-N 2.98Å; V266-E269 PolarHBondContact O-N 3.18Å; V266-E269 VanDerWaalsContact O-N 3.15Å; K267-E269 VanDerWaalsContact C-N 3.33Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.12Å; E269-R272 WeakPolarHBondContact O-CA 3.07Å; E269-R272 WeakPolarHBondContact O-CB 3.19Å; E269-R272 PolarHBondContact O-N 3.43Å; E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.06Å; E269-Q273 PolarHBondContact OE1-NE2 2.84Å; E269-I464 HydrophobicContact CB-CG2 4.25Å; E269-I464 HydrophobicContact CG-CB 4.28Å; E269-I464 HydrophobicContact CG-CG2 4.02Å
270V74.8Confident69Low17 Ų1778.8 Ų78.810%0.10344%0.444CS..Hα-helixtrans-56.5-43.8171.5174.20000110.9L233 V266 R272 Q273 A274 I464L233-V270 HydrophobicContact CB-CG2 4.34Å; L233-V270 HydrophobicContact CD1-CG2 3.52Å; L233-V270 HydrophobicContact CG-CG2 4.47Å; V266-V270 WeakPolarHBondContact O-CG2 3.47Å; V266-V270 PolarHBondContact O-N 2.88Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 2.84Å; V270-Q273 PolarHBondContact O-N 3.31Å; V270-Q273 VanDerWaalsContact O-N 3.17Å; V270-A274 PolarHBondContact O-N 3.25Å; V270-A274 VanDerWaalsContact O-N 3.07Å; V270-I464 HydrophobicContact CG2-CG2 3.92Å
271R74.3Confident67.9Low179 Ų17987.7 Ų87.768%0.67547%0.472SS*.Hα-helixtrans-64.9-25.9176.2-170.5179.5-176.3103.12.9113.6K267 E269K267-R271 VanDerWaalsContact O-CB 3.25Å; K267-R271 WeakPolarHBondContact O-CB 3.41Å; K267-R271 PolarHBondContact O-N 3.41Å; E269-R271 VanDerWaalsContact C-N 3.28Å; E269-R271 PolarHBondContact O-N 3.12Å
272R72.8Confident66.9Low203 Ų20390.1 Ų90.177%0.76650%0.497SS*.Hα-helixtrans-80.7-25.6174.7-81.4168.9163.1-109.6-5.5113.1N268 E269 V270N268-R272 WeakPolarHBondContact O-CB 3.39Å; N268-R272 VanDerWaalsContact O-CG 3.26Å; N268-R272 WeakPolarHBondContact O-CG 3.27Å; N268-R272 PolarHBondContact O-N 2.9Å; E269-R272 WeakPolarHBondContact O-CA 3.07Å; E269-R272 WeakPolarHBondContact O-CB 3.19Å; E269-R272 PolarHBondContact O-N 3.43Å; V270-R272 VanDerWaalsContact C-N 3.26Å; V270-R272 PolarHBondContact O-N 2.84Å
273Q62.7Low65.7Low79 Ų7992.7 Ų92.737%0.36952%0.524SS..Hα-helixtrans-87.8-18.5178.5-65.7177.613.900112.6E269 V270E269-Q273 WeakPolarHBondContact O-CG 3.35Å; E269-Q273 PolarHBondContact O-N 3.06Å; E269-Q273 PolarHBondContact OE1-NE2 2.84Å; V270-Q273 PolarHBondContact O-N 3.31Å; V270-Q273 VanDerWaalsContact O-N 3.17Å
274A57.1Low64.9Low54 Ų5498.4 Ų98.445%0.44656%0.561SS.*SBendtrans-63.4143.1168.500000112V270V270-A274 PolarHBondContact O-N 3.25Å; V270-A274 VanDerWaalsContact O-N 3.07Å
275P53.8Low64.1Low114 Ų114100.4 Ų100.474%0.7458%0.58SS**PPolyproline II helixtrans-55.8143.2173.3-23.833.3000111.6
276P53.1Low63.3Low117 Ų117104 Ų10476%0.7660%0.6SS**PPolyproline II helixtrans-59.5135.6178.625-33.8000110
277P54.8Low62.4Low116 Ų116109.4 Ų109.475%0.75364%0.635SS**PPolyproline II helixtrans-59.6138.1-18024.7-33.8000109.8
278P53.5Low61.6Low115 Ų115113.2 Ų113.275%0.74766%0.664SS**PPolyproline II helixtrans-59.2143.1177.424.9-33.6000110
279P55.6Low60.9Low108 Ų108114.4 Ų114.470%0.70168%0.676SS**PPolyproline II helixtrans-58.6141.6178.924.8-34.2000110.1R281P279-R281 PolarHBondContact O-N 3.28Å
280P55.5Low59.7Low130 Ų130116.4 Ų116.484%0.84470%0.696SS**  trans-59.495.3-176.4-25.935000113.4G282P280-G282 PolarHBondContact O-N 3.05Å; P280-G282 VanDerWaalsContact O-N 3.07Å
281R57.1Low58.2Low255 Ų255124.4 Ų124.496%0.96273%0.732SS**  trans-76.985.4167-78.4-179.7115.8157.30.8108.8P279P279-R281 PolarHBondContact O-N 3.28Å
282G54.7Low56.8Low76 Ų76124.8 Ų124.878%0.78474%0.741SS**  trans170.624.2179.200000117.5P280P280-G282 PolarHBondContact O-N 3.05Å; P280-G282 VanDerWaalsContact O-N 3.07Å
283G54.3Low55.1Low63 Ų63118.4 Ų118.465%0.64974%0.739SS**PPolyproline II helixtrans-89.2139.4165.100000110.6
284P59Low54Low122 Ų122120.9 Ų120.979%0.79276%0.764SS**PPolyproline II helixtrans-60.2150.5171.826.4-33.8000110.6
285P59.3Low53.2Low117 Ų117123.2 Ų123.276%0.7678%0.784SS**PPolyproline II helixtrans-61.6142.6-175.125.5-34.3000111.5
286P64.1Low53.1Low116 Ų116123.5 Ų123.575%0.75379%0.786SS**PPolyproline II helixtrans-62.6144.517527-34.1000110.5
287P61.7Low53.3Low115 Ų115123.7 Ų123.775%0.74779%0.787SS**PPolyproline II helixtrans-64.9149.2-179.727.3-34.8000111.6
288P59.9Low53.3Low118 Ų118124 Ų12477%0.76679%0.789SS**PPolyproline II helixtrans-66.3142.5-179.327.4-34.6000111.7
289P64.2Low53.4Low110 Ų110124.1 Ų124.171%0.71479%0.79SS**PPolyproline II helixtrans-69.6143.3178.527.8-34.1000112.1
290P51.8Low53.4Low120 Ų120124.3 Ų124.378%0.77979%0.791SS**PPolyproline II helixtrans-64.2139.9177.4-22.133.7000113.5
291Q43.7Very low52.9Low185 Ų185124.2 Ų124.286%0.86479%0.791SS**  trans-91.4103.5-178.9-66.1-175.9-3.600112.9
292H44.1Very low52.4Low188 Ų188117.4 Ų117.487%0.8778%0.782SS**  trans-150.5134.4157-54.1-78.2000107.6
293G37.1Very low51.6Low69 Ų69125.1 Ų125.171%0.71179%0.787SS**  cis168.7128.1-8.200000109.9
294S39.2Very low50.9Low130 Ų130128.1 Ų128.191%0.90979%0.793SS**  trans66.6105159.4-490000120.8
295A41.3Very low50.1Low103 Ų103127.8 Ų127.885%0.85179%0.788SS**  171.8151.2128.200000111.7
296P52.2Low48.9Very low121 Ų121133.6 Ų133.679%0.78680%0.795SS**  trans-112.8168.5-148.439.3-30.4000117
297P57.2Low47.4Very low120 Ų120131.5 Ų131.578%0.77979%0.794SS**  trans-99.8161.3-178.138.9-35.2000114.7
298P53.7Low46.2Very low124 Ų124130.7 Ų130.781%0.80580%0.797SS**  trans-109.7166.41593.618.7000114.3
299P56.1Low46Very low117 Ų117130.8 Ų130.876%0.7680%0.798SS**  trans-109.9176.3-152.642.1-35.1000115.9
300P55.6Low45.4Very low112 Ų112131 Ų13173%0.72780%0.8SS**  trans-86.4178.8-175.937.5-37.6000113.2
301P45.7Very low45.4Very low128 Ų128130.6 Ų130.683%0.83180%0.797SS**  -146.9150.8111.336.6-21.7000116.1
302S45Very low46.1Very low111 Ų111127.6 Ų127.678%0.77679%0.793SS**  trans-101.6128.6162.3-47.40000110.2
303R38.3Very low47.1Very low239 Ų239123.7 Ų123.790%0.90279%0.785SS**  trans170.5108136.2-96.1171.9-178.1-154.40.7114.4
304V40.4Very low47.4Very low126 Ų126128.8 Ų128.876%0.76479%0.79SS**  52.4108.9111.7179.20000119.4
305V41.3Very low47.2Very low115 Ų115127.4 Ų127.470%0.69778%0.78SS**  trans75.9123.2141.6173.10000117.9
306R34.6Very low47.4Very low239 Ų239134 Ų13490%0.90278%0.783SS**  -174.4145.773.4-150.8170.9-61.6-155.21.6114.2
307G32Very low47.3Very low71 Ų71133.1 Ų133.173%0.73278%0.777SS**  trans108.9100.4144.600000121.5
308A36.1Very low47Very low99 Ų99133.2 Ų133.282%0.81878%0.778SS**  trans38.9166.5137.700000123.9
309P55.8Low46.8Very low120 Ų120133.6 Ų133.678%0.77978%0.778SS**  cis-122.9-131.5-42.139.6-21.9000109.3
310P52.3Low46.6Very low115 Ų115133.4 Ų133.475%0.74778%0.779SS**  -106.1-147-56.943.6-29000110
311P51Low46.5Very low111 Ų111132.7 Ų132.772%0.72178%0.783SS**  cis-117.2-179.5-27.841.9-27.8000113.8
312P59Low47.1Very low122 Ų122132.2 Ų132.279%0.79278%0.78SS**  trans-114.5-168.5-168.448.9-37.5000112.6
313P65.4Low47.9Very low106 Ų106132.7 Ų132.769%0.68878%0.78SS**  trans-122.2-153.4-140.337.9-15.4000113.4
314H42.6Very low48.9Very low176 Ų176126.9 Ų126.982%0.81577%0.773SS**  trans157.6141.2151.1-78.3-7.3000109.5
315S36Very low50.1Low101 Ų101126.4 Ų126.471%0.70677%0.773SS**  cis-161.3130.26.6-95.50000114.5
316R45.8Very low51.2Low240 Ų240126.6 Ų126.691%0.90678%0.776SS**  65.6176.7129.5-109.3-178.3-160.4-100.80.7120.2
317P49.3Very low52.1Low103 Ų103121.2 Ų121.267%0.66977%0.772SS**  -122.8-153.3-125.447.9-29.8000112.1
318P51.4Low53.1Low122 Ų122123.6 Ų123.679%0.79278%0.778SS**  cis-132.2-171-842.1-23.1000115.7
319V50.3Low53.4Low133 Ų133130.4 Ų130.481%0.80678%0.782SS**  trans-71.1136.7174.5175.60000112.5
320S51.3Low52.8Low113 Ų113130.6 Ų130.679%0.7978%0.784SS**  trans161.2106132.6-73.60000113.1
321A53.9Low52.1Low97 Ų97128.7 Ų128.780%0.80279%0.785SS**  trans-167.8147.5157.900000111.2
322P58.4Low52.1Low118 Ų118132.4 Ų132.477%0.76680%0.795SS**PPolyproline II helixtrans-75.3162.1174.832.4-35.8000112.7
323P60.1Low51.2Low120 Ų120132.4 Ų132.478%0.77980%0.798SS**PPolyproline II helixtrans-66.9148.9176.927.9-34.7000112.7
324P60.7Low50.8Low118 Ų118131.6 Ų131.677%0.76680%0.8SS**PPolyproline II helixtrans-81.2158.9-170.732.8-37.1000114.3
325P65.1Low51.7Low116 Ų116128.8 Ų128.875%0.75380%0.797SS**PPolyproline II helixtrans-70.4156.9172.630.8-35.8000112.7
326P65.3Low52.9Low118 Ų118129.5 Ų129.577%0.76680%0.8SS**PPolyproline II helixtrans-66.7151.8178.627.9-34.9000112.7
327P53.1Low53.7Low127 Ų127123.5 Ų123.583%0.82579%0.792SS**PPolyproline II helixtrans-77.6129.1-168.629.9-35.4000113.6
328S53.2Low54.5Low121 Ų121124 Ų12485%0.84680%0.795SS**PPolyproline II helixtrans-69.9136.4163.6-60.10000111.1
329R42Very low55Low242 Ų242123.8 Ų123.891%0.91379%0.794SS**  trans-118154.4163-99.4-157.4161.6-153.3-3110.6
330P42.4Very low55Low124 Ų124122.7 Ų122.781%0.80579%0.789SS**  trans-113.5163-144.214.57.8000114.1
331G38Very low55.3Low75 Ų75123.5 Ų123.577%0.77380%0.795SS**  trans132.8107.7157.400000114.7
332M50.5Low54.8Low188 Ų188129.8 Ų129.893%0.92680%0.798SS**  trans-58.3139.8167.6-98.270.482.800112.2
333S41.1Very low54.3Low123 Ų123127.6 Ų127.686%0.8680%0.796SS**  trans-165.5160.4133.832.10000111.3
334A57.5Low54.1Low88 Ų88126.9 Ų126.973%0.72780%0.801SS**PPolyproline II helixtrans-64.2162.7-165.600000115.4
335P60.3Low53.4Low118 Ų118128.8 Ų128.877%0.76680%0.803SS**PPolyproline II helixtrans-58.6147.9167.226.6-36.2000111.5
336P61.2Low53.4Low116 Ų116128.4 Ų128.475%0.75380%0.801SS**PPolyproline II helixtrans-66.6148177.928.6-34.8000111.5
337P62.6Low53.6Low114 Ų114128.2 Ų128.274%0.7480%0.8SS**PPolyproline II helixtrans-69.6153.8179.729.7-35.6000112.1
338P65.8Low54.2Low114 Ų114127.7 Ų127.774%0.7480%0.797SS**PPolyproline II helixtrans-65.8147.4173.328.7-34.8000111.3
339P63.1Low54.5Low117 Ų117127.9 Ų127.976%0.7680%0.795SS**PPolyproline II helixtrans-65.1147.1174.328.3-34.4000111S341P339-S341 PolarHBondContact O-N 3.46Å
340P50.3Low55.2Low109 Ų109120.4 Ų120.471%0.70879%0.785SS**PPolyproline II helixtrans-72.5129.9-172.528.2-34.8000112.4R342P340-R342 PolarHBondContact O-N 3.45Å
341S56Low55.8Low131 Ų131120.3 Ų120.392%0.91678%0.784SS**  trans-57.9105.3165.2-57.90000110.3P339P339-S341 PolarHBondContact O-N 3.46Å
342R45.1Very low56Low229 Ų229121 Ų12186%0.86478%0.783SS**  trans-130.7106.6172.4-86.1-170.5167.1-178.7-3.1111.1P340P340-R342 PolarHBondContact O-N 3.45Å
343G47.7Very low56.1Low71 Ų71121.1 Ų121.173%0.73278%0.781SS**  trans70.3137.415000000116.9L345G343-L345 PolarHBondContact O-N 3.29Å
344A54.6Low56Low106 Ų106119.7 Ų119.788%0.87678%0.776SS**PPolyproline II helixtrans-57.8120.7167.900000110.2
345L47.3Very low55.5Low157 Ų157121 Ų12182%0.82278%0.78SS**PPolyproline II helixtrans-69.5139.2160.4-66.2173.7000107.9G343G343-L345 PolarHBondContact O-N 3.29Å
346P63.9Low54.9Low109 Ų109122.3 Ų122.371%0.70878%0.78SS**PPolyproline II helixtrans-61.7149.7172.827.9-34.2000109.9
347P69.5Low54.1Low113 Ų113122.8 Ų122.873%0.73478%0.783SS**PPolyproline II helixtrans-58.7149.7175.726.3-34.6000110.4
348P65.2Low53.5Low117 Ų117123.5 Ų123.576%0.7679%0.785SS**PPolyproline II helixtrans-57.5142.8173.626.4-34.4000109.5A350P348-A350 PolarHBondContact O-N 3.12Å
349P59.7Low53.1Low124 Ų124121.8 Ų121.881%0.80578%0.78SS**PPolyproline II helixtrans-57.7134174.825.2-33.3000109.1
350A58Low53.3Low85 Ų85121.6 Ų121.670%0.70278%0.779SS**PPolyproline II helixtrans-53144.3170.300000109.3P348 A352P348-A350 PolarHBondContact O-N 3.12Å; A350-A352 PolarHBondContact O-N 3.43Å
351P53.7Low54Low123 Ų123121.7 Ų121.780%0.79978%0.779SS**  trans-59.2106177.224.2-32.8000109H353P351-H353 PolarHBondContact O-N 2.89Å
352A43.5Very low54.7Low90 Ų90120.9 Ų120.974%0.74477%0.771SS**  trans-56.1135.8170.700000108.1A350 A354A350-A352 PolarHBondContact O-N 3.43Å; A352-A354 VanDerWaalsContact C-N 3.34Å; A352-A354 PolarHBondContact O-N 3.12Å
353H51.8Low56Low190 Ų190115.4 Ų115.488%0.8877%0.765SS**  trans-57.392-174.8-65.7-96.8000111.4P351 S355P351-H353 PolarHBondContact O-N 2.89Å; H353-S355 PolarHBondContact O-N 3.15Å
354A38.9Very low56.8Low92 Ų92117.9 Ų117.976%0.7677%0.768SS**  trans-73.9111.5162.900000106.7A352 L356A352-A354 VanDerWaalsContact C-N 3.34Å; A352-A354 PolarHBondContact O-N 3.12Å; A354-L356 PolarHBondContact O-N 2.9Å; A354-L356 VanDerWaalsContact O-N 3.13Å
355S46.5Very low57.3Low116 Ų116120.5 Ų120.581%0.81177%0.767SS**  trans-46.5118.2-176.2-51.90000111.7H353H353-S355 PolarHBondContact O-N 3.15Å
356L47.7Very low58.2Low146 Ų146118.3 Ų118.376%0.76476%0.762SS**  trans-54.1141.3158.8-63.6171.7000107.7A354 V358A354-L356 PolarHBondContact O-N 2.9Å; A354-L356 VanDerWaalsContact O-N 3.13Å; L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.45Å
357P45.8Very low57.7Low125 Ų125119 Ų11981%0.81277%0.767SS**  trans-60.3105.8155.327.4-30.5000106.1A359P357-A359 PolarHBondContact O-N 3.13Å
358V49.2Very low56.9Low130 Ų130118.5 Ų118.579%0.78877%0.772SS**  trans-56.6114.71741700000106.6L356L356-V358 VanDerWaalsContact C-N 3.31Å; L356-V358 PolarHBondContact O-N 3.45Å
359A58Low55.7Low77 Ų77116.9 Ų116.964%0.63677%0.769SS**PPolyproline II helixtrans-55.5137.3169.800000107.8P357P357-A359 PolarHBondContact O-N 3.13Å
360P66Low55.5Low114 Ų114116.2 Ų116.274%0.7477%0.773SS**PPolyproline II helixtrans-54.6140.9178.724.3-33.8000109.2
361P66.3Low54.7Low110 Ų110116.6 Ų116.671%0.71477%0.771SS**PPolyproline II helixtrans-56.3146.5178.725.1-34.2000109.7
362P70.6Confident54.3Low114 Ų114118.3 Ų118.374%0.7477%0.773SS**PPolyproline II helixtrans-55.9145.6173.425.8-34.1000109.4
363P72.8Confident54.6Low114 Ų114118 Ų11874%0.7478%0.779SS**PPolyproline II helixtrans-56.2144.9175.925.3-34.2000109.6L365P363-L365 PolarHBondContact O-N 3.3Å
364P64.5Low54.7Low123 Ų123113.3 Ų113.380%0.79977%0.773SS**PPolyproline II helixtrans-57.2130.1178.524.1-33.2000109.6
365L64.2Low55.8Low162 Ų162114.2 Ų114.285%0.84877%0.771SS**PPolyproline II helixtrans-53.3136.6168.8-77.1151.7000108.6P363P363-L365 PolarHBondContact O-N 3.3Å
366P66.9Low56.7Low110 Ų110113.9 Ų113.971%0.71477%0.766SS**PPolyproline II helixtrans-57.7141.5174.925.2-33.4000109.1A368P366-A368 PolarHBondContact O-N 3.35Å
367P53.5Low57.7Low124 Ų124112.5 Ų112.581%0.80577%0.766SS**PPolyproline II helixtrans-57.6135.4-179.724.3-33.5000109.6A369P367-A369 PolarHBondContact O-N 2.92Å
368A51.7Low59Low102 Ų102112 Ų11284%0.84376%0.763SS**  trans-58.9105.3174.600000109P366 A370P366-A368 PolarHBondContact O-N 3.35Å; A368-A370 PolarHBondContact O-N 3.17Å
369A41.3Very low60.1Low84 Ų84111.2 Ų111.269%0.69476%0.76SS**  trans-65.4104169.900000107.6P367 S371P367-A369 PolarHBondContact O-N 2.92Å; A369-S371 PolarHBondContact O-N 3.04Å
370A53.9Low60.9Low109 Ų109113 Ų11390%0.90177%0.765SS**  trans-6784.416400000108.3A368A368-A370 PolarHBondContact O-N 3.17Å
371S42.7Very low61.3Low94 Ų94113 Ų11366%0.65777%0.766SS**  trans-116.199.8171.160.50000109.2A369A369-S371 PolarHBondContact O-N 3.04Å
372N44.3Very low61.7Low159 Ų159113.3 Ų113.385%0.8577%0.767SS**  trans28.8107.3154.2-59.4-17.9000116.7A374N372-A374 PolarHBondContact O-N 2.91Å; N372-A374 VanDerWaalsContact O-N 3.09Å
373G49.1Very low61.8Low83 Ų83113.2 Ų113.286%0.85677%0.767SS**  trans-57.7115.5172.600000112
374A55.5Low61.9Low91 Ų91113.3 Ų113.375%0.75277%0.767SS**PPolyproline II helixtrans-76.9133.2147.900000107.4N372N372-A374 PolarHBondContact O-N 2.91Å; N372-A374 VanDerWaalsContact O-N 3.09Å
375P61.9Low62.1Low111 Ų111113.3 Ų113.372%0.72177%0.767SS**PPolyproline II helixtrans-63155.6171.928.5-34.2000110
376P64.4Low62.3Low110 Ų110109.9 Ų109.971%0.71476%0.762SS**PPolyproline II helixtrans-56.3147.8170.926.4-34.7000110
377P68.3Low62Low117 Ų117110.9 Ų110.976%0.7677%0.769SS**PPolyproline II helixtrans-57140.9175.125.5-33.9000109.5
378P73.1Confident62.5Low114 Ų114107.7 Ų107.774%0.7476%0.759SS**PPolyproline II helixtrans-60149.3178.426.3-34.3000110.2
379P73.9Confident63.2Low114 Ų114108.8 Ų108.874%0.7476%0.757SS**PPolyproline II helixtrans-57.6148.6173.626.5-34.6000110.1
380P74.2Confident64Low114 Ų114110.3 Ų110.374%0.7476%0.76SS**PPolyproline II helixtrans-57.1144.9173.726-34.1000109.8
381P75.2Confident64.2Low115 Ų115110.5 Ų110.575%0.74775%0.752SS**PPolyproline II helixtrans-58.9145.817826-34.3000110.1
382P73.1Confident64.9Low115 Ų115111.7 Ų111.775%0.74776%0.758SS**PPolyproline II helixtrans-58144.9174.326.2-34.1000109.7
383P73.4Confident65.2Low113 Ų113110.3 Ų110.373%0.73476%0.757SS**PPolyproline II helixtrans-57.5145.5173.926.1-34000109.6
384P74.1Confident64.8Low115 Ų115111.4 Ų111.475%0.74775%0.752SS**PPolyproline II helixtrans-57.7143.3177.325.6-34.1000109.7A386P384-A386 PolarHBondContact O-N 3.14Å
385P69.4Low64.1Low124 Ų124114.8 Ų114.881%0.80575%0.754SS**PPolyproline II helixtrans-57.2134.7175.924.9-33.4000109.3
386A67.7Low62.9Low90 Ų90118.4 Ų118.474%0.74476%0.761SS**PPolyproline II helixtrans-55141.1174.900000109.6P384 G388P384-A386 PolarHBondContact O-N 3.14Å; A386-G388 PolarHBondContact O-N 3.42Å
387P61.7Low61.8Low130 Ų130117.8 Ų117.884%0.84477%0.765SS**PPolyproline II helixtrans-52.8125.7175.4-25.534.3000110.2
388G63.1Low60.6Low58 Ų58120.2 Ų120.260%0.59877%0.772SS**PPolyproline II helixtrans-59.4151.5175.200000110.8A386A386-G388 PolarHBondContact O-N 3.42Å
389P66.6Low59.1Low124 Ų124118.5 Ų118.581%0.80577%0.774SS**PPolyproline II helixtrans-56.9138.1176.425.1-33.8000109.9
390P59.1Low57.5Low117 Ų117116.7 Ų116.776%0.7678%0.777SS**PPolyproline II helixtrans-62.7146.1-177.326-34.2000111
391P58.5Low56.6Low113 Ų113118.9 Ų118.973%0.73478%0.782SS**PPolyproline II helixtrans-65.4149.4-179.528.3-35.1000111.1
392P56.4Low55.5Low119 Ų119115.9 Ų115.977%0.77377%0.772SS**PPolyproline II helixtrans-64.8127.6174.927.5-33.6000109.8S394P392-S394 PolarHBondContact O-N 3.49Å
393P50.6Low54.5Low129 Ų129119.1 Ų119.184%0.83878%0.775SS**PPolyproline II helixtrans-72.6118.2179.327.5-32.7000110.8M395P393-M395 PolarHBondContact O-N 2.97Å
394S40.5Very low53.5Low106 Ų106117.4 Ų117.474%0.74177%0.766SS**  trans-73.1112.1164.9-61.50000110.1P392P392-S394 PolarHBondContact O-N 3.49Å
395M40.3Very low52.6Low162 Ų162115 Ų11580%0.79876%0.755SS**  trans34.7140.914472-158.3179.300122.4P393P393-M395 PolarHBondContact O-N 2.97Å
396E38.3Very low52.1Low188 Ų188114.3 Ų114.388%0.87974%0.744SS**  trans75.7115.4164.9-47.7-165.4132.900116
397A40.4Very low51.5Low96 Ų96114.6 Ų114.679%0.79373%0.733SS**  cis-157.7152.140.900000115.3
398N44Very low51.4Low169 Ų169111.3 Ų111.390%0.90471%0.713SS**  trans71.7117.4149.5-153.432.1000121
399G40.9Very low51.1Low77 Ų77115.4 Ų115.479%0.79472%0.716SS**  trans108127.7152.700000117
400G39.4Very low50.7Low77 Ų77115.5 Ų115.579%0.79471%0.709SS**  trans123.286.2161.900000115.7
401D55.9Low50.5Low159 Ų159119.1 Ų119.185%0.8571%0.707SS**  trans-61150.2175.1-57.3-92.2000113.8
402G52.6Low50.6Low52 Ų52121.2 Ų121.254%0.53671%0.707SS.*  trans165.9-30.8170.100000116.1
403K52.4Low50.4Low183 Ų183117.8 Ų117.880%0.79669%0.693SS**Hα-helixtrans-94.4-17.9-176.4-71.1-177.5176.5177.70115.1
404S51.2Low50.3Low78 Ų78117 Ų11755%0.54570%0.697SS.*Hα-helixtrans-71.8-42.3174.3440000112.5L406 L407 S408S404-L406 PolarHBondContact O-N 3.01Å; S404-L407 PolarHBondContact O-N 3.14Å; S404-S408 PolarHBondContact O-N 2.92Å; S404-S408 PolarHBondContact O-OG 3.45Å
405A56.1Low50.9Low63 Ų63120.4 Ų120.452%0.52170%0.702SS.*Hα-helixtrans-59.5-49.1-178.500000112.8L407 S408 Q409A405-L407 PolarHBondContact O-N 2.85Å; A405-S408 PolarHBondContact O-N 2.91Å; A405-Q409 WeakPolarHBondContact O-CB 3.26Å; A405-Q409 PolarHBondContact O-N 3.11Å
406L58.1Low50.9Low110 Ų110121.1 Ų121.158%0.57671%0.708SS**Hα-helixtrans-66.6-35.8-175.9-162.470.7000112.7S404 Q409 I410S404-L406 PolarHBondContact O-N 3.01Å; L406-Q409 PolarHBondContact O-N 3.17Å; L406-I410 HydrophobicContact CG-CD1 4.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.39Å; L406-I410 VanDerWaalsContact O-N 3.12Å
407L56.2Low51Low97 Ų97121.9 Ų121.951%0.50871%0.708SS.*Hα-helixtrans-80.8-15-179.1-76.7172.7000114.4S404 A405 R411S404-L407 PolarHBondContact O-N 3.14Å; A405-L407 PolarHBondContact O-N 2.85Å; L407-R411 PolarHBondContact O-NE 3.26Å; L407-R411 PolarHBondContact O-NH2 3.47Å; L407-R411 VanDerWaalsContact O-NH2 3.08Å
408S58.8Low51.2Low61 Ų61127.1 Ų127.143%0.42771%0.713SS.*Hα-helixtrans-83.6-43.5163.9-660000111S404 A405 I410 R411 E412S404-S408 PolarHBondContact O-N 2.92Å; S404-S408 PolarHBondContact O-OG 3.45Å; A405-S408 PolarHBondContact O-N 2.91Å; S408-I410 VanDerWaalsContact C-N 3.3Å; S408-I410 PolarHBondContact O-N 3.32Å; S408-R411 CarbonylContact O-C 3.5Å; S408-R411 WeakPolarHBondContact O-CA 3.41Å; S408-R411 WeakPolarHBondContact O-CB 3.24Å; S408-R411 PolarHBondContact O-N 3.09Å; S408-E412 PolarHBondContact O-N 2.86Å
409Q57.8Low50.7Low143 Ų143125.8 Ų125.867%0.66871%0.711SS**Hα-helixtrans-64-30.6-178-168.7168.1-4.100113.8A405 L406 R411A405-Q409 WeakPolarHBondContact O-CB 3.26Å; A405-Q409 PolarHBondContact O-N 3.11Å; L406-Q409 PolarHBondContact O-N 3.17Å; Q409-R411 VanDerWaalsContact C-N 3.31Å
410I57.2Low50.4Low127 Ų127131.1 Ų131.165%0.65172%0.715SS**THydrogen-bonded Turntrans-73.6-22.7171.5-66.7165.6000112L406 S408L406-I410 HydrophobicContact CG-CD1 4.24Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.39Å; L406-I410 VanDerWaalsContact O-N 3.12Å; S408-I410 VanDerWaalsContact C-N 3.3Å; S408-I410 PolarHBondContact O-N 3.32Å
411R55.5Low50.3Low193 Ų193136.7 Ų136.773%0.72872%0.72SS**THydrogen-bonded Turntrans-89.5-27.1-179-119.2171.1-72.2-114.1-3.1113.6L407 S408 Q409L407-R411 PolarHBondContact O-NE 3.26Å; L407-R411 PolarHBondContact O-NH2 3.47Å; L407-R411 VanDerWaalsContact O-NH2 3.08Å; S408-R411 CarbonylContact O-C 3.5Å; S408-R411 WeakPolarHBondContact O-CA 3.41Å; S408-R411 WeakPolarHBondContact O-CB 3.24Å; S408-R411 PolarHBondContact O-N 3.09Å; Q409-R411 VanDerWaalsContact C-N 3.31Å
412E60.4Low49.1Very low157 Ų157137.7 Ų137.773%0.73472%0.717SS**SBendtrans-85.8-7-173.5-74.7179.716600115.1S408S408-E412 PolarHBondContact O-N 2.86Å
413G51.5Low48.4Very low46 Ų46143.1 Ų143.147%0.47473%0.729SS.*  trans56.690163.400000115.5Q415G413-Q415 PolarHBondContact O-N 3.01Å
414A48.8Very low47.6Very low112 Ų112145.9 Ų145.993%0.92673%0.734SS**  trans-53.5105.6-174.800000114.1
415Q53.6Low47.1Very low179 Ų179148.1 Ų148.184%0.83675%0.747SS**  trans-91.5126.6169.3-60.1-175.819.800110.4G413G413-Q415 PolarHBondContact O-N 3.01Å
416L39Very low46.3Very low177 Ų177151.6 Ų151.693%0.92776%0.761SS**  trans-135.9161.1161.1-76.3-179.7000111.9
417K41.8Very low45.5Very low204 Ų204150.8 Ų150.889%0.88777%0.765SS**  trans-84.2153.7-143.7-74.4174.5173.5174.10116.4
418K44.4Very low45.1Very low205 Ų205152 Ų15289%0.89178%0.776SS**  trans-50.4141.8158.5-88.4168.8169.6169.20112.8
419V33.2Very low44.5Very low142 Ų142150.9 Ų150.986%0.86177%0.774SS**  trans-113.1151.1147.8177.20000107
420E33.5Very low44.2Very low189 Ų189147.5 Ų147.588%0.88378%0.778SS**  trans-78.5167.7-164-68.7179.3118.200115.5
421Q38.3Very low44.2Very low193 Ų193150.7 Ų150.790%0.90278%0.782SS**  trans-77150.5-166.5-60.8168-2800114.1
422K31.2Very low44.3Very low181 Ų181145.9 Ų145.979%0.78777%0.771SS**  -150.5110.4126.6-156.6162.5-176.6176.20114.7
423E36.5Very low44.4Very low166 Ų166141.3 Ų141.378%0.77676%0.76SS**  trans70.4159.9152.5-69.3169.8-138.300121.8
424R36Very low45.1Very low241 Ų241144 Ų14491%0.90976%0.763SS**  trans-92173.3-164-75.6-176.5-177.8-157.92.1111.5
425P41.4Very low46.1Very low124 Ų124141.4 Ų141.481%0.80573%0.733SS**  cis-134.4-16218.441.9-21.7000116.3
426V39.9Very low46.6Very low137 Ų137136.7 Ų136.783%0.8371%0.714SS**  trans-94.7156.6-163.5-175.50000112.4
427S40.2Very low47.7Very low93 Ų93134.2 Ų134.265%0.6570%0.697SS**  trans102.7134.5149.5-153.40000118.1
428T47.8Very low48.7Very low121 Ų121130.2 Ų130.274%0.74269%0.685SS**  trans43.1121.3147.246.60000119.4
429G46.5Very low49.8Very low38 Ų38129.4 Ų129.439%0.39268%0.676SS.*  trans178.2-23.316500000117.9R431 A433G429-R431 PolarHBondContact O-N 3.38Å; G429-A433 WeakPolarHBondContact O-CB 3.38Å; G429-A433 PolarHBondContact O-N 3.02Å
430G51.3Low51.4Low73 Ų73130.1 Ų130.175%0.75367%0.67SS**Hα-helixtrans-64.7-38.7-171.500000115.4
431R56.8Low52.1Low194 Ų194123.5 Ų123.573%0.73265%0.652SS**Hα-helixtrans-86.6-39.2-179.9-171.8175.3176.989.9-1112.2G429 L434 L435G429-R431 PolarHBondContact O-N 3.38Å; R431-L434 PolarHBondContact O-N 3.21Å; R431-L435 HydrophobicContact CG-CD1 4.03Å; R431-L435 WeakPolarHBondContact O-CG 3.33Å; R431-L435 PolarHBondContact O-N 3.04Å
432D57.8Low53.2Low91 Ų91120.9 Ų120.949%0.48764%0.643SS.*Hα-helixtrans-72.3-37.3-177.1-55.2-58.3000111.8L434 L435 D436D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.48Å; D432-L435 PolarHBondContact O-N 3.17Å; D432-D436 WeakPolarHBondContact O-CB 3.3Å; D432-D436 PolarHBondContact O-N 3.4Å
433A62.3Low54.1Low61 Ų61121.4 Ų121.450%0.50465%0.648SS.*Hα-helixtrans-61.4-37.2173.100000112.7G429 Q437G429-A433 WeakPolarHBondContact O-CB 3.38Å; G429-A433 PolarHBondContact O-N 3.02Å; A433-Q437 VanDerWaalsContact O-CB 3.28Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 PolarHBondContact O-N 3.06Å
434L67.5Low54.4Low102 Ų102120.7 Ų120.753%0.53465%0.648SS.*Hα-helixtrans-70.5-41175.7-178.362000111.7R431 D432 Q437 I438R431-L434 PolarHBondContact O-N 3.21Å; D432-L434 VanDerWaalsContact C-N 3.3Å; D432-L434 PolarHBondContact O-N 3.48Å; L434-Q437 PolarHBondContact O-N 2.9Å; L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.24Å
435L69.1Low54.8Low58 Ų58118.6 Ų118.630%0.30465%0.646SS.*Hα-helixtrans-67.6-37.2176.8-70.8171.2000112R431 D432 I438 R439R431-L435 HydrophobicContact CG-CD1 4.03Å; R431-L435 WeakPolarHBondContact O-CG 3.33Å; R431-L435 PolarHBondContact O-N 3.04Å; D432-L435 PolarHBondContact O-N 3.17Å; L435-I438 PolarHBondContact O-N 2.81Å; L435-R439 VanDerWaalsContact O-CG 3.27Å; L435-R439 WeakPolarHBondContact O-CG 3.38Å; L435-R439 PolarHBondContact O-N 3.04Å
436D63.7Low55Low81 Ų81117.9 Ų117.943%0.43365%0.65SS.*Hα-helixtrans-71.6-33.1174-77.5-13000112.2D432 I438 R439 Q440D432-D436 WeakPolarHBondContact O-CB 3.3Å; D432-D436 PolarHBondContact O-N 3.4Å; D436-I438 VanDerWaalsContact C-N 3.32Å; D436-R439 PolarHBondContact O-N 2.76Å; D436-R439 IonicContact OD1-NE 3.83Å; D436-Q440 WeakPolarHBondContact O-CB 3.23Å; D436-Q440 WeakPolarHBondContact O-CG 3.46Å; D436-Q440 PolarHBondContact O-N 3.42Å; D436-Q440 PolarHBondContact O-NE2 3.4Å
437Q63.6Low54.6Low125 Ų125122.5 Ų122.558%0.58465%0.653SS**Hα-helixtrans-66.6-33.2172.2-173.8172.2-19.900112.3A433 L434A433-Q437 VanDerWaalsContact O-CB 3.28Å; A433-Q437 WeakPolarHBondContact O-CB 3.45Å; A433-Q437 PolarHBondContact O-N 3.06Å; L434-Q437 PolarHBondContact O-N 2.9Å
438I61.4Low54.3Low120 Ų120125.8 Ų125.862%0.61566%0.663SS**Hα-helixtrans-70.7-40.2171.5-67.1162.5000110.8L434 L435 D436 Q440L434-I438 HydrophobicContact CG-CD1 4.29Å; L434-I438 VanDerWaalsContact O-CG1 3.31Å; L434-I438 WeakPolarHBondContact O-CG1 3.48Å; L434-I438 PolarHBondContact O-N 3.24Å; L435-I438 PolarHBondContact O-N 2.81Å; D436-I438 VanDerWaalsContact C-N 3.32Å; I438-Q440 PolarHBondContact O-N 3.29Å
439R68Low54Low188 Ų188128.1 Ų128.171%0.70967%0.671SS**Hα-helixtrans-68.9-28.5176.6-69.4172.5-153.5-71.40.9114L435 D436 G441L435-R439 VanDerWaalsContact O-CG 3.27Å; L435-R439 WeakPolarHBondContact O-CG 3.38Å; L435-R439 PolarHBondContact O-N 3.04Å; D436-R439 PolarHBondContact O-N 2.76Å; D436-R439 IonicContact OD1-NE 3.83Å; R439-G441 VanDerWaalsContact C-N 3.33Å
440Q66.1Low53.2Low157 Ų157133.2 Ų133.273%0.73469%0.689SS**Hα-helixtrans-77.6-16.9-178.6-78.3170.35200113.6D436 I438D436-Q440 WeakPolarHBondContact O-CB 3.23Å; D436-Q440 WeakPolarHBondContact O-CG 3.46Å; D436-Q440 PolarHBondContact O-N 3.42Å; D436-Q440 PolarHBondContact O-NE2 3.4Å; I438-Q440 PolarHBondContact O-N 3.29Å
441G48.3Very low52.3Low49 Ų49134.5 Ų134.551%0.50569%0.687SS.*  trans75.8132.8178.600000113.3R439 Q443R439-G441 VanDerWaalsContact C-N 3.33Å; G441-Q443 PolarHBondContact O-N 3.39Å
442I61.3Low51.7Low138 Ų138133.1 Ų133.171%0.70869%0.689SS**  trans-80.7104.6176.1-60.9176.6000108.3L444I442-L444 HydrophobicContact CG2-CD2 3.93Å; I442-L444 HydrophobicContact CG2-CG 4.11Å; I442-L444 PolarHBondContact O-N 2.93Å
443Q51.6Low50.5Low193 Ų193137 Ų13790%0.90270%0.704SS**  trans-78.186.1178.2-156.1165.159.400110.1G441G441-Q443 PolarHBondContact O-N 3.39Å
444L42.2Very low49.5Very low150 Ų150139.7 Ų139.779%0.78571%0.714SS**PPolyproline II helixtrans-67.7140.6174.2-67.8177.3000110.5I442 A446I442-L444 HydrophobicContact CG2-CD2 3.93Å; I442-L444 HydrophobicContact CG2-CG 4.11Å; I442-L444 PolarHBondContact O-N 2.93Å; L444-A446 PolarHBondContact O-N 3.01Å
445K43.4Very low47.8Very low198 Ų198139.6 Ų139.686%0.86172%0.722SS**PPolyproline II helixtrans-72.9124.2-179.8-75.4167.8175.8167.30109.6R447K445-R447 PolarHBondContact O-N 3.15Å
446A46.7Very low46Very low108 Ų108140.3 Ų140.389%0.89374%0.736SS**PPolyproline II helixtrans-51131.9162.400000109.4L444L444-A446 PolarHBondContact O-N 3.01Å
447R31.4Very low44.7Very low235 Ų235144.3 Ų144.389%0.88776%0.758SS**  trans-121.6133.1175.8-161.8177.5-165.31592.2106.5K445 D449K445-R447 PolarHBondContact O-N 3.15Å; R447-D449 PolarHBondContact O-N 3.41Å
448D33Very low43.3Very low161 Ų161142.3 Ų142.386%0.86176%0.757SS**  trans-54.3119.1-157.6-56.7-98.9000115N450D448-N450 PolarHBondContact O-N 3Å
449D41.3Very low42.3Very low171 Ų171140 Ų14091%0.91476%0.757SS**  trans-59.5106.5150.3-93.1-63.1000109.2R447R447-D449 PolarHBondContact O-N 3.41Å
450N31.1Very low41.3Very low144 Ų144137 Ų13777%0.7776%0.761SS**  trans-176.999.6144.8-174.823.6000111.5D448D448-N450 PolarHBondContact O-N 3Å
451S31.5Very low40.7Very low101 Ų101132.3 Ų132.371%0.70674%0.744SS**  178.8126.6102.663.70000111.2Q453S451-Q453 PolarHBondContact O-N 2.91Å
452E43.4Very low41.5Very low164 Ų164134.6 Ų134.677%0.76676%0.757SS**  trans-45.1133.7167.5-79.21517200113.3T454E452-T454 HydrophobicContact CG-CG2 4.43Å
453Q34.3Very low42.3Very low174 Ų174129.4 Ų129.481%0.81374%0.738SS**  trans-131.156.4147.9-156.2146.837.600110.7S451 S455S451-Q453 PolarHBondContact O-N 2.91Å; Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 2.75Å; Q453-S455 PolarHBondContact O-OG 3.03Å
454T40.8Very low43.8Very low117 Ų117120.8 Ų120.872%0.71870%0.698SS**  trans-51.190.4162.539.40000110.1E452 A456E452-T454 HydrophobicContact CG-CG2 4.43Å; T454-A456 PolarHBondContact O-N 2.91Å
455S31.6Very low45.7Very low99 Ų99114 Ų11469%0.69266%0.663SS**  trans-97.379.9-173.4-62.10000110.7Q453Q453-S455 VanDerWaalsContact C-N 3.29Å; Q453-S455 PolarHBondContact O-N 2.75Å; Q453-S455 PolarHBondContact O-OG 3.03Å
456A30.3Very low47.7Very low73 Ų73105.5 Ų105.560%0.60363%0.631SS**  trans54.595.816500000117T454 S458T454-A456 PolarHBondContact O-N 2.91Å; A456-S458 PolarHBondContact O-N 2.96Å; A456-S458 PolarHBondContact O-OG 3Å
457D37.1Very low49.6Very low166 Ų166102.5 Ų102.589%0.88861%0.606SS**  trans-51.297.8140.3-179.715.6000108
458S35.3Very low52.2Low82 Ų8291.4 Ų91.457%0.57357%0.565SS**  trans-97.3109.6178.325.60000106.3A456A456-S458 PolarHBondContact O-N 2.96Å; A456-S458 PolarHBondContact O-OG 3Å
459A40.3Very low54.7Low73 Ų7385.7 Ų85.760%0.60353%0.533SS*.  trans-36.8142.3-171.800000113.5T461A459-T461 PolarHBondContact O-N 2.72Å
460P45.5Very low56.8Low124 Ų12480 Ų8081%0.80551%0.51SS*.  trans-51.7109.3-175.121.4-34.1000110.1A462P460-A462 PolarHBondContact O-N 3.38Å
461T55.1Low59.4Low59 Ų5975.4 Ų75.436%0.36249%0.492SS..  trans-74.275-17747.10000109A459 G463 G466A459-T461 PolarHBondContact O-N 2.72Å; T461-G463 PolarHBondContact O-N 3.03Å; T461-G466 WeakPolarHBondContact O-CA 3.46Å; T461-G466 PolarHBondContact O-N 2.75Å; T461-G466 VanDerWaalsContact O-N 3.09Å; T461-G466 VanDerWaalsContact OG1-CA 3.3Å; T461-G466 WeakPolarHBondContact OG1-CA 3.13Å; T461-G466 PolarHBondContact OG1-N 3Å
462A63.5Low61.9Low96 Ų9671.5 Ų71.579%0.79346%0.463SS*.THydrogen-bonded Turntrans-55.9103.5-172.900000110.5P460P460-A462 PolarHBondContact O-N 3.38Å
463G78.4Confident63.8Low29 Ų2968.8 Ų68.830%0.29945%0.45SS..THydrogen-bonded Turntrans153.9-169.2-168.100000112.9T461 V465 G466 A467T461-G463 PolarHBondContact O-N 3.03Å; G463-V465 VanDerWaalsContact C-N 3.28Å; G463-V465 PolarHBondContact O-N 3.48Å; G463-G466 PolarHBondContact O-N 2.92Å; G463-A467 PolarHBondContact O-N 3Å; G463-A467 VanDerWaalsContact O-N 3.17Å
464I82.6Confident66.2Low12 Ų1268.5 Ų68.56%0.06245%0.446CS..Hα-helixtrans-64.5-31.8179.6-170.464.2000112.6L233 F256 N260 V266 E269 V270 L468L233-I464 HydrophobicContact CD1-CG2 3.86Å; F256-I464 HydrophobicContact CE1-CD1 3.52Å; F256-I464 HydrophobicContact CE1-CG1 4.23Å; F256-I464 HydrophobicContact CZ-CD1 3.9Å; N260-I464 HydrophobicContact CB-CD1 3.82Å; N260-I464 WeakPolarHBondContact ND2-CD1 3.18Å; V266-I464 HydrophobicContact CB-CG1 4.47Å; V266-I464 HydrophobicContact CG1-CG1 4Å; V266-I464 HydrophobicContact CG2-CD1 4.15Å; V266-I464 HydrophobicContact CG2-CG1 4.07Å; E269-I464 HydrophobicContact CB-CG2 4.25Å; E269-I464 HydrophobicContact CG-CB 4.28Å; E269-I464 HydrophobicContact CG-CG2 4.02Å; V270-I464 HydrophobicContact CG2-CG2 3.92Å; I464-L468 WeakPolarHBondContact O-CB 3.42Å; I464-L468 PolarHBondContact O-N 2.99Å
465V83.2Confident68Low9 Ų965.4 Ų65.46%0.05542%0.421CS..Hα-helixtrans-62.3-56.9175.1176.70000110.8L233 L236 G463 A467 L468 M469L233-V465 HydrophobicContact CD1-CG2 3.67Å; L236-V465 HydrophobicContact CB-CG1 3.9Å; L236-V465 HydrophobicContact CB-CG2 4.24Å; L236-V465 HydrophobicContact CD1-CG2 4.38Å; G463-V465 VanDerWaalsContact C-N 3.28Å; G463-V465 PolarHBondContact O-N 3.48Å; V465-A467 VanDerWaalsContact C-N 3.27Å; V465-A467 PolarHBondContact O-N 3.03Å; V465-L468 PolarHBondContact O-N 3.34Å; V465-L468 VanDerWaalsContact O-N 3.11Å; V465-M469 WeakPolarHBondContact O-CB 3.41Å; V465-M469 PolarHBondContact O-N 3.31Å
466G85.1Confident70.1Confident19 Ų1962.8 Ų62.820%0.19640%0.403CS..Hα-helixtrans-63.1-33.4-179.100000113T461 G463 A470T461-G466 WeakPolarHBondContact O-CA 3.46Å; T461-G466 PolarHBondContact O-N 2.75Å; T461-G466 VanDerWaalsContact O-N 3.09Å; T461-G466 VanDerWaalsContact OG1-CA 3.3Å; T461-G466 WeakPolarHBondContact OG1-CA 3.13Å; T461-G466 PolarHBondContact OG1-N 3Å; G463-G466 PolarHBondContact O-N 2.92Å; G466-A470 VanDerWaalsContact O-CB 3.24Å; G466-A470 WeakPolarHBondContact O-CB 3.27Å; G466-A470 PolarHBondContact O-N 3.07Å
467A86.6Confident72.3Confident44 Ų4466.6 Ų66.636%0.36441%0.406SS..Hα-helixtrans-67.9-38.4173.700000112.8F256 G463 V465 A471F256-A467 HydrophobicContact CE2-CB 4.24Å; F256-A467 HydrophobicContact CZ-CB 3.77Å; G463-A467 PolarHBondContact O-N 3Å; G463-A467 VanDerWaalsContact O-N 3.17Å; V465-A467 VanDerWaalsContact C-N 3.27Å; V465-A467 PolarHBondContact O-N 3.03Å; A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.17Å
468L86.8Confident73.9Confident2 Ų261.1 Ų61.11%0.0138%0.384CS..Hα-helixtrans-70.1-43.2174.8179.157.7000111.3L233 F234 A237 I239 I253 F256 I464 V465 A471 M472L233-L468 HydrophobicContact CD2-CD2 3.93Å; L233-L468 HydrophobicContact CG-CD2 4.1Å; F234-L468 HydrophobicContact CD1-CD2 4.07Å; F234-L468 HydrophobicContact CE1-CD2 4.21Å; A237-L468 HydrophobicContact CB-CD2 4.02Å; A237-L468 HydrophobicContact CB-CG 4.14Å; I239-L468 HydrophobicContact CD1-CD1 4.12Å; I239-L468 HydrophobicContact CD1-CD2 3.74Å; I239-L468 HydrophobicContact CD1-CG 3.82Å; I253-L468 HydrophobicContact CG1-CD1 4.42Å; F256-L468 HydrophobicContact CB-CD1 4.47Å; F256-L468 HydrophobicContact CD1-CB 4.24Å; F256-L468 HydrophobicContact CD1-CD1 3.74Å; F256-L468 HydrophobicContact CD1-CG 4.46Å; F256-L468 HydrophobicContact CE1-CB 3.65Å; F256-L468 HydrophobicContact CE1-CD1 4.06Å; F256-L468 HydrophobicContact CE1-CG 4.33Å; F256-L468 HydrophobicContact CG-CD1 4.01Å; F256-L468 HydrophobicContact CZ-CB 3.85Å; F256-L468 VanDerWaalsContact CZ-N 3.32Å; I464-L468 WeakPolarHBondContact O-CB 3.42Å; I464-L468 PolarHBondContact O-N 2.99Å; V465-L468 PolarHBondContact O-N 3.34Å; V465-L468 VanDerWaalsContact O-N 3.11Å; L468-A471 PolarHBondContact O-N 3.15Å; L468-M472 HydrophobicContact CD1-CG 4.45Å; L468-M472 WeakPolarHBondContact O-CB 3.48Å; L468-M472 WeakPolarHBondContact O-CG 3.22Å; L468-M472 PolarHBondContact O-N 3.31Å
469M85.8Confident75.7Confident41 Ų4161 Ų6120%0.20238%0.376CS..Hα-helixtrans-60.1-45.8175.2-177.1-177.2-75.500111.3L236 V465 M472 Q473L236-M469 WeakPolarHBondContact O-CE 3.3Å; V465-M469 WeakPolarHBondContact O-CB 3.41Å; V465-M469 PolarHBondContact O-N 3.31Å; M469-M472 PolarHBondContact O-N 3.13Å; M469-Q473 HydrophobicContact CG-CG 4.5Å; M469-Q473 WeakPolarHBondContact O-CB 3.25Å; M469-Q473 WeakPolarHBondContact O-CG 3.49Å; M469-Q473 PolarHBondContact O-N 2.75Å
470A85.3Confident76.3Confident53 Ų5364.6 Ų64.644%0.43838%0.38SS..Hα-helixtrans-65.2-38.2176.400000112.6G466 K474G466-A470 VanDerWaalsContact O-CB 3.24Å; G466-A470 WeakPolarHBondContact O-CB 3.27Å; G466-A470 PolarHBondContact O-N 3.07Å; A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.4Å
471A84.4Confident76.2Confident46 Ų4662.9 Ų62.938%0.3837%0.371SS..Hα-helixtrans-63.9-41.7173.700000111.7F256 A467 L468 R475F256-A471 HydrophobicContact CD2-CB 4.18Å; F256-A471 HydrophobicContact CE2-CB 4.25Å; A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.17Å; L468-A471 PolarHBondContact O-N 3.15Å; A471-R475 PolarHBondContact O-N 2.78Å; A471-R475 VanDerWaalsContact O-N 3.15Å
472M84.8Confident75.5Confident19 Ų1965.4 Ų65.49%0.09439%0.391CS..Hα-helixtrans-66.4-45175.6-78.8-56-4700112.6I239 T249 I253 L468 M469 R475 S476I239-M472 HydrophobicContact CD1-CG 3.8Å; I239-M472 HydrophobicContact CD1-SD 4.47Å; I239-M472 HydrophobicContact CG1-CG 4Å; T249-M472 HydrophobicContact CG2-CE 3.58Å; T249-M472 HydrophobicContact CG2-SD 3.87Å; I253-M472 HydrophobicContact CD1-SD 4.34Å; I253-M472 HydrophobicContact CG1-SD 4.08Å; L468-M472 HydrophobicContact CD1-CG 4.45Å; L468-M472 WeakPolarHBondContact O-CB 3.48Å; L468-M472 WeakPolarHBondContact O-CG 3.22Å; L468-M472 PolarHBondContact O-N 3.31Å; M469-M472 PolarHBondContact O-N 3.13Å; M472-R475 PolarHBondContact O-N 2.84Å; M472-S476 WeakPolarHBondContact O-CB 3.4Å; M472-S476 PolarHBondContact O-N 3.28Å; M472-S476 PolarHBondContact O-OG 2.84Å
473Q82.9Confident74.6Confident108 Ų10868.7 Ų68.751%0.50540%0.395SS..Hα-helixtrans-64.1-39.5176.7-75.2174.8-4.800112.2M469 R475 S476 K477M469-Q473 HydrophobicContact CG-CG 4.5Å; M469-Q473 WeakPolarHBondContact O-CB 3.25Å; M469-Q473 WeakPolarHBondContact O-CG 3.49Å; M469-Q473 PolarHBondContact O-N 2.75Å; Q473-R475 VanDerWaalsContact C-N 3.34Å; Q473-S476 WeakPolarHBondContact CA-OG 3.48Å; Q473-S476 PolarHBondContact O-N 3.18Å; Q473-S476 PolarHBondContact O-OG 2.91Å; Q473-S476 VanDerWaalsContact O-OG 3.12Å; Q473-K477 WeakPolarHBondContact O-CG 3.4Å; Q473-K477 PolarHBondContact O-N 3.01Å
474K84.2Confident72.9Confident168 Ų16874.5 Ų74.573%0.7342%0.419SS*.Hα-helixtrans-63-41.9175.6-177.9164.7-178.7165.60111.3A470 A478A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.4Å; K474-A478 PolarHBondContact O-N 2.74Å
475R78.2Confident70.9Confident51 Ų5182 Ų8219%0.19246%0.46CS..Hα-helixtrans-72.6-35.9176.3-178.3166.7168.1-76.9-7.9112.8E248 T249 A471 M472 Q473 K477 A478 I479E248-R475 IonicContact OE1-CZ 3.63Å; E248-R475 VanDerWaalsContact OE1-CZ 3.22Å; E248-R475 IonicContact OE1-NE 2.67Å; E248-R475 PolarHBondContact OE1-NE 3.06Å; E248-R475 IonicContact OE1-NH2 3.81Å; E248-R475 PolarHBondContact OE1-NH2 2.96Å; E248-R475 IonicContact OE2-NH2 2.61Å; E248-R475 PolarHBondContact OE2-NH2 3.3Å; T249-R475 PolarHBondContact OG1-NH1 2.91Å; A471-R475 PolarHBondContact O-N 2.78Å; A471-R475 VanDerWaalsContact O-N 3.15Å; M472-R475 PolarHBondContact O-N 2.84Å; Q473-R475 VanDerWaalsContact C-N 3.34Å; R475-K477 VanDerWaalsContact C-N 3.29Å; R475-K477 PolarHBondContact O-N 3.31Å; R475-A478 PolarHBondContact O-N 2.78Å; R475-I479 HydrophobicContact CG-CD1 3.56Å; R475-I479 HydrophobicContact CG-CG1 4.35Å; R475-I479 VanDerWaalsContact NH2-CD1 3.34Å; R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.48Å; R475-I479 PolarHBondContact O-N 3.23Å
476S75.8Confident69.3Low44 Ų4489 Ų8931%0.30850%0.496SS..Hα-helixtrans-69.6-27.817769.40000112.6M472 Q473 H480M472-S476 WeakPolarHBondContact O-CB 3.4Å; M472-S476 PolarHBondContact O-N 3.28Å; M472-S476 PolarHBondContact O-OG 2.84Å; Q473-S476 WeakPolarHBondContact CA-OG 3.48Å; Q473-S476 PolarHBondContact O-N 3.18Å; Q473-S476 PolarHBondContact O-OG 2.91Å; Q473-S476 VanDerWaalsContact O-OG 3.12Å; S476-H480 WeakPolarHBondContact O-CB 3.45Å; S476-H480 PolarHBondContact O-CD2 3.07Å; S476-H480 PolarHBondContact O-N 3Å
477K77.1Confident67.4Low154 Ų15495.9 Ų95.967%0.6753%0.529SS*.Hα-helixtrans-64-56.9169.1-75.5-176.4174.5-159.40110.5Q473 R475 I479 H480 S481Q473-K477 WeakPolarHBondContact O-CG 3.4Å; Q473-K477 PolarHBondContact O-N 3.01Å; R475-K477 VanDerWaalsContact C-N 3.29Å; R475-K477 PolarHBondContact O-N 3.31Å; K477-I479 PolarHBondContact O-N 3.49Å; K477-H480 PolarHBondContact O-N 3.47Å; K477-S481 WeakPolarHBondContact O-CB 3.26Å; K477-S481 PolarHBondContact O-N 3.07Å; K477-S481 PolarHBondContact O-OG 3.22Å
478A71.9Confident65.6Low50 Ų50101.1 Ų101.141%0.41355%0.551SS.*THydrogen-bonded Turntrans-64.13.617800000116K474 R475K474-A478 PolarHBondContact O-N 2.74Å; R475-A478 PolarHBondContact O-N 2.78Å
479I71.9Confident63.6Low80 Ų80108.6 Ų108.641%0.4159%0.591SS.*THydrogen-bonded Turntrans-119.9-9.8175.2-66.2174.5000111.1R475 K477R475-I479 HydrophobicContact CG-CD1 3.56Å; R475-I479 HydrophobicContact CG-CG1 4.35Å; R475-I479 VanDerWaalsContact NH2-CD1 3.34Å; R475-I479 VanDerWaalsContact O-CG1 3.29Å; R475-I479 WeakPolarHBondContact O-CG1 3.48Å; R475-I479 PolarHBondContact O-N 3.23Å; K477-I479 PolarHBondContact O-N 3.49Å
480H53.2Low61.5Low149 Ų149114.6 Ų114.669%0.6962%0.623SS**THydrogen-bonded Turntrans-138.63.7-173.2-59.5-44.2000114.8S476 K477 S482S476-H480 WeakPolarHBondContact O-CB 3.45Å; S476-H480 PolarHBondContact O-CD2 3.07Å; S476-H480 PolarHBondContact O-N 3Å; K477-H480 PolarHBondContact O-N 3.47Å; H480-S482 VanDerWaalsContact C-N 3.34Å; H480-S482 PolarHBondContact O-N 2.8Å
481S43.3Very low59.6Low88 Ų88119.5 Ų119.562%0.61564%0.643SS**  trans-8468.1-178.5550000113.4K477K477-S481 WeakPolarHBondContact O-CB 3.26Å; K477-S481 PolarHBondContact O-N 3.07Å; K477-S481 PolarHBondContact O-OG 3.22Å
482S41.4Very low57.6Low111 Ų111124.4 Ų124.478%0.77666%0.662SS**  trans-143.166.4173.6173.90000112.2H480H480-S482 VanDerWaalsContact C-N 3.34Å; H480-S482 PolarHBondContact O-N 2.8Å
483D43Very low55.7Low166 Ų166131.3 Ų131.389%0.88870%0.7SS**SBendtrans-167.7121.9148.4-135.417.6000111
484D42.6Very low53.6Low151 Ų151135.3 Ų135.381%0.80772%0.716SS**  trans10.6125169.2-93.815.5000123.2
485D42.3Very low51.6Low170 Ų170133.5 Ų133.591%0.90971%0.71SS**  -164.4130.9114.7-124-17.7000109.9
486D48.2Very low49.8Very low154 Ų154139.5 Ų139.582%0.82474%0.74SS**  trans-97.8133.5-169.7-118.7-17.2000113
487D45.1Very low48.2Very low164 Ų164146 Ų14688%0.87777%0.766SS**  trans-162.6127.3151.1-125.4-12.5000109.8
488D48.9Very low46.6Very low155 Ų155146.2 Ų146.283%0.82977%0.774SS**  trans-57.4128.9-164.5-70-65.9000116.7
489D45.5Very low45.8Very low158 Ų158151.5 Ų151.585%0.84579%0.79SS**  178.2136.5120.3-103.6-29.3000113.6
490D41.3Very low44.8Very low167 Ų167158.2 Ų158.289%0.89381%0.81SS**  trans69.2108.1171.6-80.1-35.2000120.5
491D46.2Very low44.5Very low157 Ų157156.4 Ų156.484%0.8481%0.806SS**  trans-80.4171.3-178.4-87-55.1000117.2
492D42.9Very low44.4Very low148 Ų148159.2 Ų159.279%0.79181%0.814SS**  trans81.971159.8-66.4-34.7000119.9
493D44.6Very low44.2Very low165 Ų165166.4 Ų166.488%0.88284%0.835SS**  trans-127.198.6149.5-154.75.7000108.9E495D493-E495 PolarHBondContact O-N 3.25Å
494F37.7Very low44.2Very low191 Ų191166.4 Ų166.484%0.83883%0.833SS**  trans-88.7105.8-168-141.1-89.5000111
495E41.7Very low44.3Very low131 Ų131167.2 Ų167.261%0.61283%0.834SS**  trans-74131.7170.8-62.7-166.4152.100110.4D493D493-E495 PolarHBondContact O-N 3.25Å
496E40.8Very low44.4Very low177 Ų177167.1 Ų167.183%0.82783%0.83SS**  trans-109.386.6174.5-169.5177.7-13200108.6
497E42.6Very low44.2Very low181 Ų181167.8 Ų167.885%0.84683%0.83SS**  trans-100.3119.1165.3-156.9179.6-118.400108.5
498D43.8Very low44.2Very low158 Ų158168.1 Ų168.185%0.84583%0.827SS**  trans-158.768.7161.5-115.7-25.1000108.9
499E54.2Low43.8Very low161 Ų161168.9 Ų168.975%0.75283%0.827SS**  trans-84.2109.5160.6172.3172.6-138.200108.5
500W52.1Low43.7Very low220 Ų220169.7 Ų169.783%0.83383%0.826SS**  trans-150.1111.7149.2-80.9106.7000111.2
501D45.8Very low43.9Very low111 Ų111169.9 Ų169.959%0.59482%0.821SS**  trans21.2141.7132.6-65.5-29.3000119.4
502D42.2Very low43.7Very low147 Ų147171 Ų17179%0.78682%0.819SS**  -169.3160.453.9-120.3-34.4000113
503E36.3Very low43.8Very low262 Ų262173.1 Ų173.1100%1.22482%0.822SS**  trans64.60161.1-150.7124.198.100121.8

Retrieved 503 of 503 residues in 370.3 ms (Link to these results)