A0A096NHT8_PAPAN Loading...

Zinc finger protein 764

AlphaFold DB , UniProt , Accession A0A096NHT8, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF764, Length 407 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
1M35.8Very low41.5Very low245 Ų245150.2 Ų150.2100%1.20785%0.851SS**  0145.40-71.1165.4170.500107.9
2V38.6Very low41.5Very low139 Ų139148.3 Ų148.384%0.84284%0.837SS**  trans-120.6128.3-177-177.50000108.3
3P38.9Very low41.9Very low110 Ų110146.5 Ų146.571%0.71484%0.835SS**PPolyproline II helixtrans-72151.3174.830.9-34.3000111
4P42.3Very low42.1Very low128 Ų128145.7 Ų145.783%0.83183%0.827SS**PPolyproline II helixtrans-72.3147.7-171.929.5-35.6000113
5L44Very low42.5Very low175 Ų175141.9 Ų141.992%0.91683%0.833SS**PPolyproline II helixtrans-66.3130165.7-74.8163.8000109.8
6A43.1Very low42.2Very low90 Ų90139.1 Ų139.174%0.74483%0.831SS**PPolyproline II helixtrans-69.4140.5169.600000110.3
7P40.3Very low42Very low123 Ų123134.5 Ų134.580%0.79982%0.819SS**PPolyproline II helixtrans-70.1140.3178.829.2-34.2000111.2
8L42.3Very low41.9Very low164 Ų164133.9 Ų133.986%0.85982%0.818SS**PPolyproline II helixtrans-67.3142.5170.1-65.7174.4000110
9P43.1Very low41.6Very low111 Ų111136.6 Ų136.672%0.72182%0.821SS**PPolyproline II helixtrans-65149.9176.428-34.7000111.2
10P42.9Very low41.2Very low127 Ų127142.1 Ų142.183%0.82583%0.826SS**PPolyproline II helixtrans-64.6146.3178.828.1-34.9000111.3D12P10-D12 PolarHBondContact O-N 3.28Å
11R44.9Very low41.2Very low240 Ų240146.7 Ų146.791%0.90683%0.83SS**PPolyproline II helixtrans-75.8122.3168.4-63.1176.384.9174.16.6108.2
12D41.4Very low41.4Very low127 Ų127143.5 Ų143.568%0.67981%0.812SS**PPolyproline II helixtrans-65.6128.8174.1-159-52.4000110.2P10 N14P10-D12 PolarHBondContact O-N 3.28Å; D12-N14 VanDerWaalsContact C-N 3.33Å; D12-N14 PolarHBondContact OD1-N 3.22Å
13P46.5Very low41.6Very low125 Ų125143.5 Ų143.581%0.81282%0.815SS**SBendtrans-71.8-20.3177.4-19.333.4000114.7
14N44.6Very low42.4Very low136 Ų136141.3 Ų141.373%0.72781%0.812SS**SBendtrans-100.3112.2-172.6-81.1-42000112.3D12 A16D12-N14 VanDerWaalsContact C-N 3.33Å; D12-N14 PolarHBondContact OD1-N 3.22Å; N14-A16 PolarHBondContact O-N 3.33Å
15G49.3Very low43.4Very low89 Ų89141.8 Ų141.892%0.91881%0.806SS**  trans-7387.7-17800000114.2
16A36.9Very low44.6Very low96 Ų96137.1 Ų137.179%0.79379%0.785SS**  trans-88.2150.8158.100000111N14N14-A16 PolarHBondContact O-N 3.33Å
17G38.5Very low46.2Very low62 Ų62135 Ų13564%0.63977%0.765SS**  trans-72.7170.5177.600000113.4E19G17-E19 PolarHBondContact O-N 2.92Å
18P40.2Very low47.9Very low123 Ų123129.9 Ų129.980%0.79973%0.73SS**  trans-66.7103.8-17927.7-34.4000111.5W20P18-W20 PolarHBondContact O-N 3.44Å
19E36.7Very low49.5Very low185 Ų185125 Ų12586%0.86471%0.713SS**  trans-65.8123.8167.3-168178.315800109.4G17 R21G17-E19 PolarHBondContact O-N 2.92Å; E19-R21 PolarHBondContact O-N 2.9Å
20W34.7Very low51.1Low246 Ų246125.2 Ų125.293%0.93271%0.708SS**  trans-73.694.4-178.1-66.387.1000109.7P18P18-W20 PolarHBondContact O-N 3.44Å
21R39.6Very low52.9Low240 Ų240122.4 Ų122.491%0.90669%0.688SS**  trans-53.4141.5169.5-69.6-171.5178.8-167.4-0.2110.3E19E19-R21 PolarHBondContact O-N 2.9Å
22E41.2Very low54.5Low178 Ų178111.6 Ų111.683%0.83265%0.65SS**  trans-58157.1172.6-60.1-167.9124.700111.5G24E22-G24 VanDerWaalsContact C-N 3.33Å; E22-G24 PolarHBondContact O-N 2.82Å
23P43.3Very low56.3Low139 Ų139109.3 Ų109.390%0.90364%0.641SS**  trans-63.886.3-177.8-22.935.6000113.2
24G54.5Low57.8Low63 Ų63109.5 Ų109.565%0.64963%0.626SS**  trans-61.7147179.200000112.9E22 V26E22-G24 VanDerWaalsContact C-N 3.33Å; E22-G24 PolarHBondContact O-N 2.82Å; G24-V26 PolarHBondContact O-N 3.19Å
25I64.3Low59.1Low139 Ų139106.9 Ų106.971%0.71361%0.608SS**  trans-60.9119.8176.4-65164.5000109S27 I67I25-S27 PolarHBondContact O-N 3.42Å; I25-I67 HydrophobicContact CG2-CB 4.35Å; I25-I67 HydrophobicContact CG2-CD1 4.49Å; I25-I67 HydrophobicContact CG2-CG1 4.04Å; I25-I67 HydrophobicContact CG2-CG2 3.73Å
26V68.9Low59.8Low77 Ų77105.2 Ų105.247%0.46758%0.582SS.*  trans-65.5110.8-177.2178.20000110.2G24 D30 V31 I67G24-V26 PolarHBondContact O-N 3.19Å; V26-D30 HydrophobicContact CG1-CB 4.21Å; V26-V31 HydrophobicContact CG1-CG2 3.66Å; V26-I67 WeakPolarHBondContact O-CG2 3.39Å
27S75.8Confident60.8Low46 Ų46110.9 Ų110.932%0.32258%0.583SS.*  trans-83167.2-17981.90000112I25 A29 D30I25-S27 PolarHBondContact O-N 3.42Å; S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 PolarHBondContact OG-N 3.37Å; S27-D30 WeakPolarHBondContact CA-OD2 3.26Å; S27-D30 VanDerWaalsContact CB-OD2 3.23Å; S27-D30 WeakPolarHBondContact CB-OD2 3.42Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 VanDerWaalsContact O-N 3.15Å; S27-D30 PolarHBondContact OG-OD2 3.38Å
28F76.7Confident61.9Low15 Ų15114 Ų1147%0.06658%0.581CS.*Hα-helixtrans-59.3-31.3171.3179.5-94.4000112.5D30 V31 A32 M55 T58 Y59 L62 P72 L74 I75F28-D30 VanDerWaalsContact C-N 3.26Å; F28-D30 PolarHBondContact O-N 3.2Å; F28-V31 PolarHBondContact O-N 3.35Å; F28-A32 HydrophobicContact CD1-CB 3.97Å; F28-A32 HydrophobicContact CE1-CB 3.53Å; F28-A32 HydrophobicContact CZ-CB 3.84Å; F28-A32 WeakPolarHBondContact O-CB 3.37Å; F28-A32 PolarHBondContact O-N 2.86Å; F28-M55 HydrophobicContact CZ-SD 4.27Å; F28-T58 HydrophobicContact CD2-CG2 4.47Å; F28-T58 HydrophobicContact CE2-CG2 4.3Å; F28-Y59 HydrophobicContact CD2-CD2 4.01Å; F28-Y59 HydrophobicContact CD2-CG 4.49Å; F28-Y59 HydrophobicContact CE2-CD2 4.46Å; F28-Y59 HydrophobicContact CG-CD2 4.34Å; F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD2-CD1 4.15Å; F28-P72 HydrophobicContact CB-CG 4.3Å; F28-P72 HydrophobicContact CD1-CB 3.99Å; F28-P72 HydrophobicContact CD1-CG 3.5Å; F28-P72 HydrophobicContact CE1-CB 4.15Å; F28-P72 HydrophobicContact CE1-CG 4.04Å; F28-P72 HydrophobicContact CG-CG 3.98Å; F28-L74 HydrophobicContact CE1-CD2 4.21Å; F28-L74 HydrophobicContact CZ-CD2 4.47Å; F28-I75 HydrophobicContact CE1-CD1 4.29Å; F28-I75 HydrophobicContact CE1-CG1 3.94Å; F28-I75 HydrophobicContact CE2-CD1 3.91Å; F28-I75 HydrophobicContact CE2-CG1 4.12Å; F28-I75 HydrophobicContact CZ-CD1 3.52Å; F28-I75 HydrophobicContact CZ-CG1 3.65Å
29A75.2Confident62.9Low60 Ų60113 Ų11350%0.49657%0.566SS.*Hα-helixtrans-69.2-22.7179.100000113.3S27 V31S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 PolarHBondContact OG-N 3.37Å; A29-V31 VanDerWaalsContact C-N 3.33Å
30D77.8Confident64.6Low117 Ų117105.9 Ų105.963%0.62653%0.531SS*.Hα-helixtrans-80.6-14.5177.7-55.9-69.4000112.9V26 S27 F28V26-D30 HydrophobicContact CG1-CB 4.21Å; S27-D30 WeakPolarHBondContact CA-OD2 3.26Å; S27-D30 VanDerWaalsContact CB-OD2 3.23Å; S27-D30 WeakPolarHBondContact CB-OD2 3.42Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 VanDerWaalsContact O-N 3.15Å; S27-D30 PolarHBondContact OG-OD2 3.38Å; F28-D30 VanDerWaalsContact C-N 3.26Å; F28-D30 PolarHBondContact O-N 3.2Å
31V79.1Confident65.9Low67 Ų6796.4 Ų96.441%0.40651%0.51SS..Hα-helixtrans-117-22.1-177.2-165.70000112.2V26 F28 A29 V33 T58 L62V26-V31 HydrophobicContact CG1-CG2 3.66Å; F28-V31 PolarHBondContact O-N 3.35Å; A29-V31 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 2.95Å; V31-T58 HydrophobicContact CB-CG2 4.16Å; V31-T58 HydrophobicContact CG1-CG2 3.68Å; V31-L62 HydrophobicContact CG2-CD1 4.34Å
32A79.1Confident67.6Low13 Ų1390.2 Ų90.211%0.10750%0.502CS..  trans-67.2128.717700000112F28 Y34 M55 L74F28-A32 HydrophobicContact CD1-CB 3.97Å; F28-A32 HydrophobicContact CE1-CB 3.53Å; F28-A32 HydrophobicContact CZ-CB 3.84Å; F28-A32 WeakPolarHBondContact O-CB 3.37Å; F28-A32 PolarHBondContact O-N 2.86Å; A32-Y34 HydrophobicContact CB-CD2 4.37Å; A32-Y34 HydrophobicContact CB-CE2 3.63Å; A32-Y34 WeakPolarHBondContact O-CD2 3.42Å; A32-M55 HydrophobicContact CB-SD 4.34Å; A32-L74 HydrophobicContact CB-CD2 4.43Å
33V80Confident69.1Low79 Ų7983.1 Ų83.148%0.47947%0.469SS..  trans-89.6132.6167.6179.40000107.5V31 F35 Y51 M55V31-V33 PolarHBondContact O-N 2.95Å; V33-F35 HydrophobicContact CG1-CE2 4.45Å; V33-F35 HydrophobicContact CG1-CZ 4.38Å; V33-Y51 HydrophobicContact CB-CE2 4.5Å; V33-Y51 WeakPolarHBondContact O-CE2 3.39Å; V33-Y51 PolarHBondContact O-OH 3.18Å; V33-M55 HydrophobicContact CB-CE 3.95Å; V33-M55 HydrophobicContact CG2-CE 4.2Å
34Y76.8Confident70.8Confident130 Ų13085.4 Ų85.451%0.5146%0.46SS..  trans-111.6146.6176.2-62.9-95.7000109.7A32 L74A32-Y34 HydrophobicContact CB-CD2 4.37Å; A32-Y34 HydrophobicContact CB-CE2 3.63Å; A32-Y34 WeakPolarHBondContact O-CD2 3.42Å; Y34-L74 HydrophobicContact CD1-CD2 4.16Å; Y34-L74 HydrophobicContact CE1-CD2 3.82Å
35F73.1Confident71.9Confident80 Ų8087.4 Ų87.435%0.35146%0.461SS..  trans-119.4145.3172.8-70.5-70.2000109.9V33 E39 W40 L43 Y51V33-F35 HydrophobicContact CG1-CE2 4.45Å; V33-F35 HydrophobicContact CG1-CZ 4.38Å; F35-E39 WeakPolarHBondContact CA-OE2 3.42Å; F35-E39 HydrophobicContact CB-CB 4.2Å; F35-E39 HydrophobicContact CD1-CB 3.95Å; F35-W40 HydrophobicContact CB-CB 4.42Å; F35-W40 HydrophobicContact CB-CE3 4.39Å; F35-W40 AromaticContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 4.17Å; F35-W40 HydrophobicContact CG-CE3 4.44Å; F35-L43 HydrophobicContact CD2-CD1 4.03Å; F35-L43 HydrophobicContact CE2-CD1 3.81Å; F35-L43 HydrophobicContact CG-CD1 4.48Å; F35-L43 HydrophobicContact CZ-CD1 4.07Å; F35-Y51 HydrophobicContact CD2-CD2 4.11Å; F35-Y51 AromaticContact CD2-CE2 3.78Å; F35-Y51 HydrophobicContact CD2-CE2 3.78Å; F35-Y51 AromaticContact CE2-CD2 3.58Å; F35-Y51 HydrophobicContact CE2-CD2 3.58Å; F35-Y51 AromaticContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CG 4.31Å
36C64.1Low72.3Confident54 Ų5484.5 Ų84.537%0.36546%0.458SS..  trans-72.8171.416578.40000111.3E38 E39 W40C36-E38 PolarHBondContact O-N 2.89Å; C36-E38 PolarHBondContact SG-OE2 3.22Å; C36-E39 PolarHBondContact N-OE2 2.89Å; C36-E39 PolarHBondContact O-N 3.47Å; C36-E39 VanDerWaalsContact SG-CD 3.59Å; C36-E39 WeakPolarHBondContact SG-CG 3.42Å; C36-E39 PolarHBondContact SG-N 3.25Å; C36-W40 WeakPolarHBondContact O-CB 3.4Å; C36-W40 PolarHBondContact O-N 3.14Å
37R57.1Low72.6Confident215 Ų21585.2 Ų85.281%0.81146%0.457SS*.Hα-helixtrans-63-35.6-178.2175.2174.1-72.4-145.1-3.7111.6G41R37-G41 PolarHBondContact O-N 3.22Å
38E62.2Low72.8Confident129 Ų12986.2 Ų86.260%0.60345%0.453SS*.Hα-helixtrans-72.5-47.4-177.8-60.462.3-137.500110.4C36 G41 C42C36-E38 PolarHBondContact O-N 2.89Å; C36-E38 PolarHBondContact SG-OE2 3.22Å; E38-G41 WeakPolarHBondContact O-CA 3.45Å; E38-G41 PolarHBondContact O-N 3.45Å; E38-G41 VanDerWaalsContact O-N 3.13Å; E38-C42 PolarHBondContact O-N 2.9Å; E38-C42 VanDerWaalsContact O-N 3.09Å; E38-C42 PolarHBondContact O-SG 3.48Å
39E61.6Low72.8Confident101 Ų10187.5 Ų87.547%0.47247%0.466SS..Hα-helixtrans-61.2-44.8174-73167.5157.200112.1F35 C36 G41 C42 L43F35-E39 WeakPolarHBondContact CA-OE2 3.42Å; F35-E39 HydrophobicContact CB-CB 4.2Å; F35-E39 HydrophobicContact CD1-CB 3.95Å; C36-E39 PolarHBondContact N-OE2 2.89Å; C36-E39 PolarHBondContact O-N 3.47Å; C36-E39 VanDerWaalsContact SG-CD 3.59Å; C36-E39 WeakPolarHBondContact SG-CG 3.42Å; C36-E39 PolarHBondContact SG-N 3.25Å; E39-G41 PolarHBondContact O-N 3.43Å; E39-C42 WeakPolarHBondContact O-CB 3.36Å; E39-C42 PolarHBondContact O-N 2.9Å; E39-L43 PolarHBondContact O-N 3.39Å
40W71.5Confident73.2Confident36 Ų3689.8 Ų89.814%0.13647%0.47CS..Hα-helixtrans-59.5-38.8173.9-171.1-110.1000111.1F35 C36 C42 L43 R48 Y51 W77F35-W40 HydrophobicContact CB-CB 4.42Å; F35-W40 HydrophobicContact CB-CE3 4.39Å; F35-W40 AromaticContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 4.17Å; F35-W40 HydrophobicContact CG-CE3 4.44Å; C36-W40 WeakPolarHBondContact O-CB 3.4Å; C36-W40 PolarHBondContact O-N 3.14Å; W40-C42 VanDerWaalsContact C-N 3.3Å; W40-C42 PolarHBondContact O-N 3.45Å; W40-L43 HydrophobicContact CD2-CD1 4.49Å; W40-L43 HydrophobicContact CE3-CD1 3.62Å; W40-L43 HydrophobicContact CZ3-CD1 3.86Å; W40-L43 PolarHBondContact O-N 2.86Å; W40-R48 HydrophobicContact CD2-CG 4.28Å; W40-R48 HydrophobicContact CE3-CG 4.42Å; W40-R48 HydrophobicContact CH2-CB 3.76Å; W40-R48 HydrophobicContact CH2-CG 3.93Å; W40-R48 HydrophobicContact CZ2-CB 3.78Å; W40-R48 HydrophobicContact CZ2-CG 3.78Å; W40-R48 HydrophobicContact CZ3-CB 4.43Å; W40-R48 HydrophobicContact CZ3-CG 4.25Å; W40-R48 VanDerWaalsContact O-CZ 3.26Å; W40-R48 PolarHBondContact O-NE 3.39Å; W40-R48 PolarHBondContact O-NH2 3.16Å; W40-Y51 AromaticContact CH2-CD1 3.49Å; W40-Y51 HydrophobicContact CH2-CD1 3.49Å; W40-Y51 VanDerWaalsContact CH2-CD1 3.49Å; W40-Y51 AromaticContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CG 4.33Å; W40-Y51 AromaticContact CZ3-CD1 3.38Å; W40-Y51 HydrophobicContact CZ3-CD1 3.38Å; W40-Y51 AromaticContact CZ3-CE1 3.59Å; W40-Y51 HydrophobicContact CZ3-CE1 3.59Å; W40-Y51 AromaticContact CZ3-CG 3.92Å; W40-Y51 HydrophobicContact CZ3-CG 3.92Å; W40-W77 HydrophobicContact CD2-CH2 4.33Å; W40-W77 AromaticContact CE2-CH2 3.71Å; W40-W77 HydrophobicContact CH2-CH2 4.44Å; W40-W77 AromaticContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CZ3 4.33Å; W40-W77 AromaticContact NE1-CH2 3.81Å
41G62.3Low73.5Confident47 Ų4785.4 Ų85.449%0.48545%0.445SS..Hα-helixtrans-55.3-40.1170.600000113.5R37 E38 E39 R48R37-G41 PolarHBondContact O-N 3.22Å; E38-G41 WeakPolarHBondContact O-CA 3.45Å; E38-G41 PolarHBondContact O-N 3.45Å; E38-G41 VanDerWaalsContact O-N 3.13Å; E39-G41 PolarHBondContact O-N 3.43Å; G41-R48 PolarHBondContact O-NH2 3.31Å
42C75.6Confident73.6Confident110 Ų11083.9 Ų83.974%0.74343%0.432SS*.Hα-helixtrans-74.3-18.6178.1-64.40000115E38 E39 W40E38-C42 PolarHBondContact O-N 2.9Å; E38-C42 VanDerWaalsContact O-N 3.09Å; E38-C42 PolarHBondContact O-SG 3.48Å; E39-C42 WeakPolarHBondContact O-CB 3.36Å; E39-C42 PolarHBondContact O-N 2.9Å; W40-C42 VanDerWaalsContact C-N 3.3Å; W40-C42 PolarHBondContact O-N 3.45Å
43L72.8Confident73.7Confident28 Ų2887.7 Ų87.715%0.14745%0.45CS..SBendtrans-72.3133.6178.3-64.8-179.1000112.2F35 E39 W40 Q47 R48F35-L43 HydrophobicContact CD2-CD1 4.03Å; F35-L43 HydrophobicContact CE2-CD1 3.81Å; F35-L43 HydrophobicContact CG-CD1 4.48Å; F35-L43 HydrophobicContact CZ-CD1 4.07Å; E39-L43 PolarHBondContact O-N 3.39Å; W40-L43 HydrophobicContact CD2-CD1 4.49Å; W40-L43 HydrophobicContact CE3-CD1 3.62Å; W40-L43 HydrophobicContact CZ3-CD1 3.86Å; W40-L43 PolarHBondContact O-N 2.86Å; L43-Q47 HydrophobicContact CB-CB 4.32Å; L43-Q47 HydrophobicContact CD2-CB 4.35Å; L43-R48 HydrophobicContact CB-CG 3.72Å; L43-R48 HydrophobicContact CD1-CG 4.34Å; L43-R48 PolarHBondContact O-NE 3.46Å; L43-R48 PolarHBondContact O-NH2 2.03Å; L43-R48 VanDerWaalsContact O-NH2 3.09Å
44R77.6Confident73.9Confident188 Ų18886.8 Ų86.871%0.70945%0.445SS*.  trans-67.2154.1171.8-61.1178.3-179.7-156.9-2.8110.7A46 Q47 R48R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 3.13Å; R44-Q47 HydrophobicContact CB-CG 4.34Å; R44-Q47 WeakPolarHBondContact O-CA 3.49Å; R44-Q47 WeakPolarHBondContact O-CB 3.49Å; R44-Q47 PolarHBondContact O-N 2.91Å; R44-R48 PolarHBondContact O-N 3.11Å; R44-R48 VanDerWaalsContact O-N 3.08Å
45P77.9Confident74.3Confident104 Ų10481 Ų8168%0.67542%0.423SS*.Hα-helixtrans-50.4-45.3-179.1-30.236.1000114.4Q47 R48 A49P45-Q47 VanDerWaalsContact C-N 3.27Å; P45-Q47 PolarHBondContact O-N 3.04Å; P45-R48 PolarHBondContact O-N 3.4Å; P45-A49 PolarHBondContact O-N 2.96Å
46A72.4Confident74.5Confident79 Ų7982.2 Ų82.265%0.65343%0.425SS*.Hα-helixtrans-65.4-23.6176.900000114.4R44 L50R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 3.13Å; A46-L50 WeakPolarHBondContact O-CB 3.03Å; A46-L50 PolarHBondContact O-N 2.68Å
47Q76.4Confident75.4Confident92 Ų9285.1 Ų85.143%0.4343%0.433SS..Hα-helixtrans-80.4-36.9173.7-63.5174.8-93.900111.4L43 R44 P45 Y51L43-Q47 HydrophobicContact CB-CB 4.32Å; L43-Q47 HydrophobicContact CD2-CB 4.35Å; R44-Q47 HydrophobicContact CB-CG 4.34Å; R44-Q47 WeakPolarHBondContact O-CA 3.49Å; R44-Q47 WeakPolarHBondContact O-CB 3.49Å; R44-Q47 PolarHBondContact O-N 2.91Å; P45-Q47 VanDerWaalsContact C-N 3.27Å; P45-Q47 PolarHBondContact O-N 3.04Å; Q47-Y51 WeakPolarHBondContact O-CB 3.4Å; Q47-Y51 PolarHBondContact O-N 3.27Å
48R80.4Confident76.5Confident67 Ų6776.3 Ų76.325%0.25340%0.403SS..Hα-helixtrans-63.3-43.1172.2-63.6-177.3-173.1142.47111W40 G41 L43 R44 P45 Y51 R52W40-R48 HydrophobicContact CD2-CG 4.28Å; W40-R48 HydrophobicContact CE3-CG 4.42Å; W40-R48 HydrophobicContact CH2-CB 3.76Å; W40-R48 HydrophobicContact CH2-CG 3.93Å; W40-R48 HydrophobicContact CZ2-CB 3.78Å; W40-R48 HydrophobicContact CZ2-CG 3.78Å; W40-R48 HydrophobicContact CZ3-CB 4.43Å; W40-R48 HydrophobicContact CZ3-CG 4.25Å; W40-R48 VanDerWaalsContact O-CZ 3.26Å; W40-R48 PolarHBondContact O-NE 3.39Å; W40-R48 PolarHBondContact O-NH2 3.16Å; G41-R48 PolarHBondContact O-NH2 3.31Å; L43-R48 HydrophobicContact CB-CG 3.72Å; L43-R48 HydrophobicContact CD1-CG 4.34Å; L43-R48 PolarHBondContact O-NE 3.46Å; L43-R48 PolarHBondContact O-NH2 2.03Å; L43-R48 VanDerWaalsContact O-NH2 3.09Å; R44-R48 PolarHBondContact O-N 3.11Å; R44-R48 VanDerWaalsContact O-N 3.08Å; P45-R48 PolarHBondContact O-N 3.4Å; R48-Y51 PolarHBondContact O-N 3.48Å; R48-R52 WeakPolarHBondContact O-CG 3.47Å; R48-R52 PolarHBondContact O-N 3.32Å
49A76.8Confident77.4Confident41 Ų4172.2 Ų72.234%0.33938%0.383SS..Hα-helixtrans-57.7-56.8173.200000111.7P45 Y51 R52 D53P45-A49 PolarHBondContact O-N 2.96Å; A49-Y51 PolarHBondContact O-N 3.08Å; A49-Y51 VanDerWaalsContact O-N 3.17Å; A49-R52 WeakPolarHBondContact O-CA 3.46Å; A49-R52 WeakPolarHBondContact O-CB 3.44Å; A49-R52 PolarHBondContact O-N 3.32Å; A49-D53 VanDerWaalsContact O-CG 3.31Å; A49-D53 PolarHBondContact O-N 3.24Å
50L82.4Confident78.2Confident109 Ų10969.1 Ų69.157%0.57138%0.378SS*.Hα-helixtrans-55.9-36.9178.7179.562.8000113.1A46 V54A46-L50 WeakPolarHBondContact O-CB 3.03Å; A46-L50 PolarHBondContact O-N 2.68Å; L50-V54 HydrophobicContact CD1-CG2 4.21Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.27Å; L50-V54 WeakPolarHBondContact O-CG2 3.28Å; L50-V54 PolarHBondContact O-N 2.88Å
51Y84.3Confident78.7Confident24 Ų2472.8 Ų72.89%0.09440%0.396CS..Hα-helixtrans-65.5-45173.4166.1-87.5000112.4V33 F35 W40 Q47 R48 A49 D53 V54 M55 V78V33-Y51 HydrophobicContact CB-CE2 4.5Å; V33-Y51 WeakPolarHBondContact O-CE2 3.39Å; V33-Y51 PolarHBondContact O-OH 3.18Å; F35-Y51 HydrophobicContact CD2-CD2 4.11Å; F35-Y51 AromaticContact CD2-CE2 3.78Å; F35-Y51 HydrophobicContact CD2-CE2 3.78Å; F35-Y51 AromaticContact CE2-CD2 3.58Å; F35-Y51 HydrophobicContact CE2-CD2 3.58Å; F35-Y51 AromaticContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CG 4.31Å; W40-Y51 AromaticContact CH2-CD1 3.49Å; W40-Y51 HydrophobicContact CH2-CD1 3.49Å; W40-Y51 VanDerWaalsContact CH2-CD1 3.49Å; W40-Y51 AromaticContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CG 4.33Å; W40-Y51 AromaticContact CZ3-CD1 3.38Å; W40-Y51 HydrophobicContact CZ3-CD1 3.38Å; W40-Y51 AromaticContact CZ3-CE1 3.59Å; W40-Y51 HydrophobicContact CZ3-CE1 3.59Å; W40-Y51 AromaticContact CZ3-CG 3.92Å; W40-Y51 HydrophobicContact CZ3-CG 3.92Å; Q47-Y51 WeakPolarHBondContact O-CB 3.4Å; Q47-Y51 PolarHBondContact O-N 3.27Å; R48-Y51 PolarHBondContact O-N 3.48Å; A49-Y51 PolarHBondContact O-N 3.08Å; A49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-D53 VanDerWaalsContact C-N 3.29Å; Y51-D53 PolarHBondContact O-N 2.96Å; Y51-V54 PolarHBondContact O-N 3.37Å; Y51-M55 HydrophobicContact CD1-CG 4.3Å; Y51-M55 HydrophobicContact CD2-CE 4.22Å; Y51-M55 HydrophobicContact CD2-CG 4.05Å; Y51-M55 HydrophobicContact CE1-CG 4.03Å; Y51-M55 HydrophobicContact CE2-CE 3.98Å; Y51-M55 HydrophobicContact CE2-CG 3.78Å; Y51-M55 HydrophobicContact CE2-SD 4.28Å; Y51-M55 HydrophobicContact CG-CG 4.34Å; Y51-M55 WeakPolarHBondContact O-CB 3.46Å; Y51-M55 VanDerWaalsContact O-CG 3.28Å; Y51-M55 WeakPolarHBondContact O-CG 3.28Å; Y51-M55 PolarHBondContact O-N 3.14Å; Y51-V78 HydrophobicContact CE1-CG2 4.43Å
52R81.9Confident79.5Confident35 Ų3571.4 Ų71.413%0.13238%0.378CS..Hα-helixtrans-59.7-42176.3-72.8-173.4-165.9146.83.4110.9R48 A49 R56 V78 E81R48-R52 WeakPolarHBondContact O-CG 3.47Å; R48-R52 PolarHBondContact O-N 3.32Å; A49-R52 WeakPolarHBondContact O-CA 3.46Å; A49-R52 WeakPolarHBondContact O-CB 3.44Å; A49-R52 PolarHBondContact O-N 3.32Å; R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 3.44Å; R52-V78 HydrophobicContact CB-CG1 3.85Å; R52-V78 HydrophobicContact CG-CG1 4.07Å; R52-V78 HydrophobicContact CG-CG2 4.26Å; R52-V78 WeakPolarHBondContact O-CG1 3.25Å; R52-E81 IonicContact CZ-OE2 3.54Å; R52-E81 VanDerWaalsContact CZ-OE2 3.29Å; R52-E81 IonicContact NE-OE2 2.64Å; R52-E81 PolarHBondContact NE-OE2 2.78Å; R52-E81 PolarHBondContact NH1-O 3.26Å; R52-E81 IonicContact NH2-OE1 3.47Å; R52-E81 IonicContact NH2-OE2 3.76Å; R52-E81 PolarHBondContact NH2-OE2 2.94Å
53D79.6Confident79.5Confident93 Ų9368.4 Ų68.450%0.49736%0.358SS..Hα-helixtrans-62.8-51.8177.1-60.4-31.8000111.3A49 Y51 M55 R56 E57A49-D53 VanDerWaalsContact O-CG 3.31Å; A49-D53 PolarHBondContact O-N 3.24Å; Y51-D53 VanDerWaalsContact C-N 3.29Å; Y51-D53 PolarHBondContact O-N 2.96Å; D53-M55 PolarHBondContact O-N 3.08Å; D53-R56 WeakPolarHBondContact O-CB 3.28Å; D53-R56 PolarHBondContact O-N 3.14Å; D53-E57 WeakPolarHBondContact O-CB 3.24Å; D53-E57 PolarHBondContact O-N 3.38Å
54V85Confident79.7Confident61 Ų6171.3 Ų71.337%0.3739%0.386SS..Hα-helixtrans-63.9-39.5-179.6168.90000112.5L50 Y51 E57 T58L50-V54 HydrophobicContact CD1-CG2 4.21Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.27Å; L50-V54 WeakPolarHBondContact O-CG2 3.28Å; L50-V54 PolarHBondContact O-N 2.88Å; Y51-V54 PolarHBondContact O-N 3.37Å; V54-E57 PolarHBondContact O-N 3.2Å; V54-T58 VanDerWaalsContact O-CB 3.24Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 3.07Å; V54-T58 PolarHBondContact O-OG1 2.84Å
55M84.9Confident79.6Confident9 Ų968.3 Ų68.34%0.04438%0.383CS..Hα-helixtrans-67-39.3176.6-70.4-63.8132.700111.5F28 A32 V33 Y51 D53 Y59 I75F28-M55 HydrophobicContact CZ-SD 4.27Å; A32-M55 HydrophobicContact CB-SD 4.34Å; V33-M55 HydrophobicContact CB-CE 3.95Å; V33-M55 HydrophobicContact CG2-CE 4.2Å; Y51-M55 HydrophobicContact CD1-CG 4.3Å; Y51-M55 HydrophobicContact CD2-CE 4.22Å; Y51-M55 HydrophobicContact CD2-CG 4.05Å; Y51-M55 HydrophobicContact CE1-CG 4.03Å; Y51-M55 HydrophobicContact CE2-CE 3.98Å; Y51-M55 HydrophobicContact CE2-CG 3.78Å; Y51-M55 HydrophobicContact CE2-SD 4.28Å; Y51-M55 HydrophobicContact CG-CG 4.34Å; Y51-M55 WeakPolarHBondContact O-CB 3.46Å; Y51-M55 VanDerWaalsContact O-CG 3.28Å; Y51-M55 WeakPolarHBondContact O-CG 3.28Å; Y51-M55 PolarHBondContact O-N 3.14Å; D53-M55 PolarHBondContact O-N 3.08Å; M55-Y59 WeakPolarHBondContact O-CB 3.44Å; M55-Y59 PolarHBondContact O-N 2.79Å; M55-I75 HydrophobicContact CB-CD1 4.19Å; M55-I75 WeakPolarHBondContact O-CD1 3.4Å
56R78.4Confident79Confident104 Ų10466.7 Ų66.739%0.39239%0.386SS..Hα-helixtrans-64.8-46174.1-174.8-172.9-58.2-138-5.7111.9R52 D53 Y59 G60 V78R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 3.44Å; D53-R56 WeakPolarHBondContact O-CB 3.28Å; D53-R56 PolarHBondContact O-N 3.14Å; R56-Y59 PolarHBondContact O-N 2.83Å; R56-G60 PolarHBondContact O-N 3.41Å; R56-V78 PolarHBondContact NH2-O 3.12Å
57E82.4Confident78.6Confident116 Ų11665.9 Ų65.954%0.54237%0.37SS..Hα-helixtrans-61.8-43.6177-177.3178.2-175.700111.3D53 V54 G60 H61D53-E57 WeakPolarHBondContact O-CB 3.24Å; D53-E57 PolarHBondContact O-N 3.38Å; V54-E57 PolarHBondContact O-N 3.2Å; E57-G60 PolarHBondContact O-N 2.99Å; E57-H61 VanDerWaalsContact CG-CE1 3.42Å; E57-H61 WeakPolarHBondContact CG-CE1 3.23Å; E57-H61 PolarHBondContact O-N 2.72Å; E57-H61 PolarHBondContact O-ND1 3.43Å; E57-H61 IonicContact OE1-CE1 3.8Å; E57-H61 PolarHBondContact OE1-CE1 3.26Å
58T80.9Confident77.7Confident30 Ų3062.9 Ų62.918%0.18436%0.364CS..Hα-helixtrans-63.6-43.4177.1-62.20000111.7F28 V31 V54 H61 L62F28-T58 HydrophobicContact CD2-CG2 4.47Å; F28-T58 HydrophobicContact CE2-CG2 4.3Å; V31-T58 HydrophobicContact CB-CG2 4.16Å; V31-T58 HydrophobicContact CG1-CG2 3.68Å; V54-T58 VanDerWaalsContact O-CB 3.24Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 3.07Å; V54-T58 PolarHBondContact O-OG1 2.84Å; T58-H61 PolarHBondContact O-N 2.87Å; T58-L62 HydrophobicContact CG2-CD1 4.27Å; T58-L62 WeakPolarHBondContact O-CG 3.3Å; T58-L62 PolarHBondContact O-N 3.03Å; T58-L62 VanDerWaalsContact O-N 3.07Å
59Y80.1Confident76.8Confident42 Ų4262.6 Ų62.617%0.16538%0.381CS..Hα-helixtrans-64-40173.2179.3-104.7000112.2F28 M55 R56 L62 S63 K71 P72 I75F28-Y59 HydrophobicContact CD2-CD2 4.01Å; F28-Y59 HydrophobicContact CD2-CG 4.49Å; F28-Y59 HydrophobicContact CE2-CD2 4.46Å; F28-Y59 HydrophobicContact CG-CD2 4.34Å; M55-Y59 WeakPolarHBondContact O-CB 3.44Å; M55-Y59 PolarHBondContact O-N 2.79Å; R56-Y59 PolarHBondContact O-N 2.83Å; Y59-L62 PolarHBondContact O-N 3.38Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 VanDerWaalsContact O-CB 3.28Å; Y59-S63 WeakPolarHBondContact O-CB 3.37Å; Y59-S63 PolarHBondContact O-N 3Å; Y59-S63 PolarHBondContact O-OG 2.84Å; Y59-K71 WeakPolarHBondContact OH-CA 3.39Å; Y59-P72 HydrophobicContact CD2-CG 4.25Å; Y59-P72 HydrophobicContact CE2-CG 4.15Å; Y59-I75 HydrophobicContact CD1-CG1 4.49Å; Y59-I75 HydrophobicContact CD1-CG2 3.8Å; Y59-I75 HydrophobicContact CD2-CG1 4.07Å; Y59-I75 HydrophobicContact CE1-CG2 4.16Å; Y59-I75 HydrophobicContact CG-CD1 4.24Å; Y59-I75 HydrophobicContact CG-CG1 3.89Å; Y59-I75 HydrophobicContact CG-CG2 4.06Å
60G79.9Confident76Confident36 Ų3668.5 Ų68.537%0.37141%0.407SS..Hα-helixtrans-59.7-46.2175.200000112.5R56 E57 S63 A64R56-G60 PolarHBondContact O-N 3.41Å; E57-G60 PolarHBondContact O-N 2.99Å; G60-S63 PolarHBondContact O-N 3.35Å; G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.26Å
61H81.9Confident75.2Confident113 Ų11367.7 Ų67.752%0.52340%0.399SS..Hα-helixtrans-63.5-45.1176.5-69.4139.3000112.8E57 T58 S63 A64 L65E57-H61 VanDerWaalsContact CG-CE1 3.42Å; E57-H61 WeakPolarHBondContact CG-CE1 3.23Å; E57-H61 PolarHBondContact O-N 2.72Å; E57-H61 PolarHBondContact O-ND1 3.43Å; E57-H61 IonicContact OE1-CE1 3.8Å; E57-H61 PolarHBondContact OE1-CE1 3.26Å; T58-H61 PolarHBondContact O-N 2.87Å; H61-S63 VanDerWaalsContact C-N 3.34Å; H61-S63 PolarHBondContact O-N 2.94Å; H61-A64 PolarHBondContact O-N 2.72Å; H61-L65 WeakPolarHBondContact O-CG 3.45Å; H61-L65 PolarHBondContact O-N 2.83Å; H61-L65 VanDerWaalsContact O-N 3.15Å
62L77.6Confident74.7Confident19 Ų1968 Ų6810%0.09940%0.404CS..Hα-helixtrans-68.1-33.4177.5-68.1171.7000112.4F28 V31 T58 Y59 L65 I67 G68F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD2-CD1 4.15Å; V31-L62 HydrophobicContact CG2-CD1 4.34Å; T58-L62 HydrophobicContact CG2-CD1 4.27Å; T58-L62 WeakPolarHBondContact O-CG 3.3Å; T58-L62 PolarHBondContact O-N 3.03Å; T58-L62 VanDerWaalsContact O-N 3.07Å; Y59-L62 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-I67 HydrophobicContact CD2-CG2 4.06Å; L62-I67 WeakPolarHBondContact O-CA 3.49Å; L62-I67 WeakPolarHBondContact O-CB 3.35Å; L62-I67 PolarHBondContact O-N 3.34Å; L62-G68 PolarHBondContact O-N 3.17Å
63S76.6Confident73.9Confident46 Ų4670.4 Ų70.432%0.32243%0.432SS..Hα-helixtrans-67.3-43.5173.1-57.70000111.8Y59 G60 H61 L65 G66Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 VanDerWaalsContact O-CB 3.28Å; Y59-S63 WeakPolarHBondContact O-CB 3.37Å; Y59-S63 PolarHBondContact O-N 3Å; Y59-S63 PolarHBondContact O-OG 2.84Å; G60-S63 PolarHBondContact O-N 3.35Å; H61-S63 VanDerWaalsContact C-N 3.34Å; H61-S63 PolarHBondContact O-N 2.94Å; S63-L65 PolarHBondContact O-N 3.2Å; S63-G66 PolarHBondContact O-N 3.39Å
64A76.2Confident73.5Confident90 Ų9067.2 Ų67.274%0.74442%0.415SS*.Hα-helixtrans-65.1-24.7178.300000113.5G60 H61 G66G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.26Å; H61-A64 PolarHBondContact O-N 2.72Å; A64-G66 VanDerWaalsContact C-N 3.3Å
65L76.6Confident73Confident124 Ų12464.3 Ų64.365%0.64940%0.397SS*.THydrogen-bonded Turntrans-82.4-1.3172.7-68170.1000113.7H61 L62 S63 I67H61-L65 WeakPolarHBondContact O-CG 3.45Å; H61-L65 PolarHBondContact O-N 2.83Å; H61-L65 VanDerWaalsContact O-N 3.15Å; L62-L65 PolarHBondContact O-N 3.13Å; S63-L65 PolarHBondContact O-N 3.2Å; L65-I67 HydrophobicContact CB-CB 4.37Å; L65-I67 HydrophobicContact CB-CD1 3.83Å; L65-I67 HydrophobicContact CB-CG1 4.08Å; L65-I67 HydrophobicContact CD1-CD1 4.37Å; L65-I67 PolarHBondContact O-N 3.46Å
66G64.4Low72.4Confident71 Ų7166.5 Ų66.573%0.73241%0.413SS*.THydrogen-bonded Turntrans72.316.3-174.500000114S63 A64S63-G66 PolarHBondContact O-N 3.39Å; A64-G66 VanDerWaalsContact C-N 3.3Å
67I63.5Low71.8Confident61 Ų6166 Ų6631%0.31341%0.411SS..  trans-100.3-18.2-173.2-71.2174000111.7I25 V26 L62 L65 G69I25-I67 HydrophobicContact CG2-CB 4.35Å; I25-I67 HydrophobicContact CG2-CD1 4.49Å; I25-I67 HydrophobicContact CG2-CG1 4.04Å; I25-I67 HydrophobicContact CG2-CG2 3.73Å; V26-I67 WeakPolarHBondContact O-CG2 3.39Å; L62-I67 HydrophobicContact CD2-CG2 4.06Å; L62-I67 WeakPolarHBondContact O-CA 3.49Å; L62-I67 WeakPolarHBondContact O-CB 3.35Å; L62-I67 PolarHBondContact O-N 3.34Å; L65-I67 HydrophobicContact CB-CB 4.37Å; L65-I67 HydrophobicContact CB-CD1 3.83Å; L65-I67 HydrophobicContact CB-CG1 4.08Å; L65-I67 HydrophobicContact CD1-CD1 4.37Å; L65-I67 PolarHBondContact O-N 3.46Å; I67-G69 PolarHBondContact O-N 2.9Å
68G57Low71.1Confident29 Ų2960.5 Ų60.530%0.29939%0.386SS..  trans-73.4118.1170.700000112.7L62L62-G68 PolarHBondContact O-N 3.17Å
69G63Low70.3Confident61 Ų6161.6 Ų61.663%0.62939%0.389SS*.  trans-78.4-149.7163.700000112.2I67 K71I67-G69 PolarHBondContact O-N 2.9Å; G69-K71 PolarHBondContact O-N 2.85Å
70N59.4Low69.4Low165 Ų16565.5 Ų65.588%0.88241%0.409SS*.SBendtrans-53.8136.4175.8-72.7-15.6000112P72N70-P72 WeakPolarHBondContact O-CD 3.24Å
71K66.3Low68.3Low92 Ų9266.1 Ų66.140%0.440%0.402SS..PPolyproline II helixtrans-48118-178.8-173.8-176.1-175-1750111.4Y59 G69 I75 E79Y59-K71 WeakPolarHBondContact OH-CA 3.39Å; G69-K71 PolarHBondContact O-N 2.85Å; K71-I75 HydrophobicContact CG-CB 4.36Å; K71-I75 HydrophobicContact CG-CG2 4.05Å; K71-E79 VanDerWaalsContact CE-CD 3.46Å; K71-E79 WeakPolarHBondContact CE-OE1 3.2Å; K71-E79 VanDerWaalsContact CE-OE2 3.31Å; K71-E79 WeakPolarHBondContact CE-OE2 3.47Å; K71-E79 VanDerWaalsContact NZ-CD 3.28Å; K71-E79 IonicContact NZ-OE1 3.76Å; K71-E79 IonicContact NZ-OE2 3.47Å; K71-E79 PolarHBondContact NZ-OE2 2.97Å
72P72.5Confident66.9Low30 Ų3062.1 Ų62.120%0.19539%0.388CS..PPolyproline II helixtrans-60.2143.3179.9-24.733000112.1F28 Y59 N70 L74 I75 S76F28-P72 HydrophobicContact CB-CG 4.3Å; F28-P72 HydrophobicContact CD1-CB 3.99Å; F28-P72 HydrophobicContact CD1-CG 3.5Å; F28-P72 HydrophobicContact CE1-CB 4.15Å; F28-P72 HydrophobicContact CE1-CG 4.04Å; F28-P72 HydrophobicContact CG-CG 3.98Å; Y59-P72 HydrophobicContact CD2-CG 4.25Å; Y59-P72 HydrophobicContact CE2-CG 4.15Å; N70-P72 WeakPolarHBondContact O-CD 3.24Å; P72-L74 PolarHBondContact O-N 2.88Å; P72-L74 VanDerWaalsContact O-N 3.17Å; P72-I75 HydrophobicContact CB-CB 4.42Å; P72-I75 HydrophobicContact CB-CG1 4.24Å; P72-I75 HydrophobicContact CG-CG1 4.23Å; P72-I75 WeakPolarHBondContact O-CA 3.39Å; P72-I75 PolarHBondContact O-N 2.88Å; P72-S76 PolarHBondContact O-N 2.88Å
73A65.9Low65.2Low87 Ų8768.9 Ų68.972%0.71942%0.419SS*.Hα-helixtrans-56.1-34.317600000112.6I75 S76 W77A73-I75 VanDerWaalsContact C-N 3.34Å; A73-I75 PolarHBondContact O-N 3.19Å; A73-S76 PolarHBondContact O-N 3.27Å; A73-W77 PolarHBondContact O-N 3.46Å
74L71.8Confident63.2Low26 Ų2672.6 Ų72.614%0.13644%0.435CS..Hα-helixtrans-59.1-42.9172.5-177.567.9000112.1F28 A32 Y34 P72 W77 V78F28-L74 HydrophobicContact CE1-CD2 4.21Å; F28-L74 HydrophobicContact CZ-CD2 4.47Å; A32-L74 HydrophobicContact CB-CD2 4.43Å; Y34-L74 HydrophobicContact CD1-CD2 4.16Å; Y34-L74 HydrophobicContact CE1-CD2 3.82Å; P72-L74 PolarHBondContact O-N 2.88Å; P72-L74 VanDerWaalsContact O-N 3.17Å; L74-W77 HydrophobicContact CD1-CE3 3.99Å; L74-W77 HydrophobicContact CD1-CZ3 4.25Å; L74-W77 PolarHBondContact O-N 3.36Å; L74-V78 HydrophobicContact CD1-CG2 4.49Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 VanDerWaalsContact O-CB 3.29Å; L74-V78 WeakPolarHBondContact O-CB 3.21Å; L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.04Å
75I74.8Confident61.6Low0 Ų077.7 Ų77.70%044%0.435CS..Hα-helixtrans-72.1-35.2179.1-66.7-62000111.2F28 M55 Y59 K71 P72 A73 V78 E79F28-I75 HydrophobicContact CE1-CD1 4.29Å; F28-I75 HydrophobicContact CE1-CG1 3.94Å; F28-I75 HydrophobicContact CE2-CD1 3.91Å; F28-I75 HydrophobicContact CE2-CG1 4.12Å; F28-I75 HydrophobicContact CZ-CD1 3.52Å; F28-I75 HydrophobicContact CZ-CG1 3.65Å; M55-I75 HydrophobicContact CB-CD1 4.19Å; M55-I75 WeakPolarHBondContact O-CD1 3.4Å; Y59-I75 HydrophobicContact CD1-CG1 4.49Å; Y59-I75 HydrophobicContact CD1-CG2 3.8Å; Y59-I75 HydrophobicContact CD2-CG1 4.07Å; Y59-I75 HydrophobicContact CE1-CG2 4.16Å; Y59-I75 HydrophobicContact CG-CD1 4.24Å; Y59-I75 HydrophobicContact CG-CG1 3.89Å; Y59-I75 HydrophobicContact CG-CG2 4.06Å; K71-I75 HydrophobicContact CG-CB 4.36Å; K71-I75 HydrophobicContact CG-CG2 4.05Å; P72-I75 HydrophobicContact CB-CB 4.42Å; P72-I75 HydrophobicContact CB-CG1 4.24Å; P72-I75 HydrophobicContact CG-CG1 4.23Å; P72-I75 WeakPolarHBondContact O-CA 3.39Å; P72-I75 PolarHBondContact O-N 2.88Å; A73-I75 VanDerWaalsContact C-N 3.34Å; A73-I75 PolarHBondContact O-N 3.19Å; I75-V78 PolarHBondContact O-N 3.21Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.3Å; I75-E79 WeakPolarHBondContact O-CB 3.36Å; I75-E79 WeakPolarHBondContact O-CG 3.09Å; I75-E79 PolarHBondContact O-N 2.83Å
76S70.4Confident59.6Low55 Ų5573.1 Ų73.139%0.38542%0.418SS..Hα-helixtrans-59-48.7170.8-155.10000111.7P72 A73 E79 E80P72-S76 PolarHBondContact O-N 2.88Å; A73-S76 PolarHBondContact O-N 3.27Å; S76-E79 PolarHBondContact O-N 3.46Å; S76-E80 WeakPolarHBondContact O-CB 3.5Å; S76-E80 PolarHBondContact O-N 3.31Å
77W66.8Low58.2Low93 Ų9376.9 Ų76.935%0.35243%0.43SS..Hα-helixtrans-65.5-38.4177.4177.567.7000113.1W40 A73 L74 E79 E80 E81W40-W77 HydrophobicContact CD2-CH2 4.33Å; W40-W77 AromaticContact CE2-CH2 3.71Å; W40-W77 HydrophobicContact CH2-CH2 4.44Å; W40-W77 AromaticContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CZ3 4.33Å; W40-W77 AromaticContact NE1-CH2 3.81Å; A73-W77 PolarHBondContact O-N 3.46Å; L74-W77 HydrophobicContact CD1-CE3 3.99Å; L74-W77 HydrophobicContact CD1-CZ3 4.25Å; L74-W77 PolarHBondContact O-N 3.36Å; W77-E79 VanDerWaalsContact C-N 3.28Å; W77-E79 PolarHBondContact O-N 3.13Å; W77-E80 PolarHBondContact O-N 2.88Å; W77-E81 HydrophobicContact CD2-CG 4.46Å; W77-E81 HydrophobicContact CG-CG 4.49Å; W77-E81 HydrophobicContact CZ2-CG 4.4Å; W77-E81 WeakPolarHBondContact CZ2-OE1 3.42Å; W77-E81 WeakPolarHBondContact CZ2-OE2 3.34Å; W77-E81 VanDerWaalsContact NE1-CD 3.29Å; W77-E81 PolarHBondContact NE1-OE1 2.89Å; W77-E81 WeakPolarHBondContact O-CB 3.44Å; W77-E81 PolarHBondContact O-N 3.1Å
78V67.1Low57Low0 Ų078.5 Ų78.50%045%0.452CS..Hα-helixtrans-66.4-26.4175.6160.50000112.9Y51 R52 R56 L74 I75 A82Y51-V78 HydrophobicContact CE1-CG2 4.43Å; R52-V78 HydrophobicContact CB-CG1 3.85Å; R52-V78 HydrophobicContact CG-CG1 4.07Å; R52-V78 HydrophobicContact CG-CG2 4.26Å; R52-V78 WeakPolarHBondContact O-CG1 3.25Å; R56-V78 PolarHBondContact NH2-O 3.12Å; L74-V78 HydrophobicContact CD1-CG2 4.49Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 VanDerWaalsContact O-CB 3.29Å; L74-V78 WeakPolarHBondContact O-CB 3.21Å; L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.04Å; I75-V78 PolarHBondContact O-N 3.21Å; V78-A82 WeakPolarHBondContact O-CB 3.5Å
79E65.4Low56Low54 Ų5480.4 Ų80.425%0.25247%0.465SS..Hα-helixtrans-84-45.8172.8-74172-141.400111.9K71 I75 S76 W77 E81 A82 E83K71-E79 VanDerWaalsContact CE-CD 3.46Å; K71-E79 WeakPolarHBondContact CE-OE1 3.2Å; K71-E79 VanDerWaalsContact CE-OE2 3.31Å; K71-E79 WeakPolarHBondContact CE-OE2 3.47Å; K71-E79 VanDerWaalsContact NZ-CD 3.28Å; K71-E79 IonicContact NZ-OE1 3.76Å; K71-E79 IonicContact NZ-OE2 3.47Å; K71-E79 PolarHBondContact NZ-OE2 2.97Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.3Å; I75-E79 WeakPolarHBondContact O-CB 3.36Å; I75-E79 WeakPolarHBondContact O-CG 3.09Å; I75-E79 PolarHBondContact O-N 2.83Å; S76-E79 PolarHBondContact O-N 3.46Å; W77-E79 VanDerWaalsContact C-N 3.28Å; W77-E79 PolarHBondContact O-N 3.13Å; E79-E81 PolarHBondContact O-N 3.33Å; E79-A82 CarbonylContact O-C 3.6Å; E79-A82 WeakPolarHBondContact O-CA 3.45Å; E79-A82 WeakPolarHBondContact O-CB 3.32Å; E79-A82 PolarHBondContact O-N 3.3Å; E79-E83 PolarHBondContact O-N 3.28Å
80E61.3Low54.7Low124 Ų12488.7 Ų88.758%0.57948%0.477SS*.Hα-helixtrans-60.5-44.2177.7-170.9173.9-165.800112S76 W77 A82 E83 L84S76-E80 WeakPolarHBondContact O-CB 3.5Å; S76-E80 PolarHBondContact O-N 3.31Å; W77-E80 PolarHBondContact O-N 2.88Å; E80-A82 PolarHBondContact O-N 2.97Å; E80-E83 PolarHBondContact O-N 3.06Å; E80-L84 PolarHBondContact O-N 2.97Å
81E56.7Low53.8Low49 Ų4988.5 Ų88.523%0.22948%0.476CS..Hα-helixtrans-72.5-2.7171.6-70.9-158.414200114.3R52 W77 E79 W85R52-E81 IonicContact CZ-OE2 3.54Å; R52-E81 VanDerWaalsContact CZ-OE2 3.29Å; R52-E81 IonicContact NE-OE2 2.64Å; R52-E81 PolarHBondContact NE-OE2 2.78Å; R52-E81 PolarHBondContact NH1-O 3.26Å; R52-E81 IonicContact NH2-OE1 3.47Å; R52-E81 IonicContact NH2-OE2 3.76Å; R52-E81 PolarHBondContact NH2-OE2 2.94Å; W77-E81 HydrophobicContact CD2-CG 4.46Å; W77-E81 HydrophobicContact CG-CG 4.49Å; W77-E81 HydrophobicContact CZ2-CG 4.4Å; W77-E81 WeakPolarHBondContact CZ2-OE1 3.42Å; W77-E81 WeakPolarHBondContact CZ2-OE2 3.34Å; W77-E81 VanDerWaalsContact NE1-CD 3.29Å; W77-E81 PolarHBondContact NE1-OE1 2.89Å; W77-E81 WeakPolarHBondContact O-CB 3.44Å; W77-E81 PolarHBondContact O-N 3.1Å; E79-E81 PolarHBondContact O-N 3.33Å; E81-W85 VanDerWaalsContact O-CD1 3.24Å
82A51.7Low52.4Low28 Ų2889.1 Ų89.123%0.23149%0.49CS..Hα-helixtrans-101.4-33.5173.300000112.4V78 E79 E80 L84 W85 G86V78-A82 WeakPolarHBondContact O-CB 3.5Å; E79-A82 CarbonylContact O-C 3.6Å; E79-A82 WeakPolarHBondContact O-CA 3.45Å; E79-A82 WeakPolarHBondContact O-CB 3.32Å; E79-A82 PolarHBondContact O-N 3.3Å; E80-A82 PolarHBondContact O-N 2.97Å; A82-L84 PolarHBondContact O-N 3.23Å; A82-W85 CarbonylContact O-C 3.48Å; A82-W85 PolarHBondContact O-N 3.45Å; A82-G86 PolarHBondContact O-N 2.87Å
83E41.1Very low50.9Low161 Ų16196.8 Ų96.875%0.75252%0.523SS*.Hα-helixtrans-60.5-37.3171.4-68.8-176.6159.300111.2E79 E80 W85 G86E79-E83 PolarHBondContact O-N 3.28Å; E80-E83 PolarHBondContact O-N 3.06Å; E83-W85 PolarHBondContact O-N 2.81Å; E83-W85 VanDerWaalsContact O-N 3.07Å; E83-G86 PolarHBondContact O-N 3.31Å
84L35.7Very low49.2Very low125 Ų12598.7 Ų98.765%0.65453%0.526SS*.THydrogen-bonded Turntrans-57.5-15.3170.1-89.4161.5000115.5E80 A82E80-L84 PolarHBondContact O-N 2.97Å; A82-L84 PolarHBondContact O-N 3.23Å
85W43.3Very low47.3Very low196 Ų196106.6 Ų106.674%0.74256%0.559SS**THydrogen-bonded Turntrans-127.122-178.1-63.881.8000112.8E81 A82 E83E81-W85 VanDerWaalsContact O-CD1 3.24Å; A82-W85 CarbonylContact O-C 3.48Å; A82-W85 PolarHBondContact O-N 3.45Å; E83-W85 PolarHBondContact O-N 2.81Å; E83-W85 VanDerWaalsContact O-N 3.07Å
86G33.5Very low44.8Very low29 Ų29112.3 Ų112.330%0.29960%0.597SS.*SBendtrans-64.5165.3172.900000113.1A82 E83 A88 A89A82-G86 PolarHBondContact O-N 2.87Å; E83-G86 PolarHBondContact O-N 3.31Å; G86-A88 PolarHBondContact O-N 3.06Å; G86-A89 PolarHBondContact O-N 3.03Å
87P35.9Very low42.9Very low150 Ų150115.7 Ų115.797%0.97462%0.618SS**THydrogen-bonded Turntrans-62.22.1-171.5-25.135.6000117.6
88A37.1Very low41.1Very low95 Ų95117.3 Ų117.379%0.78564%0.639SS**THydrogen-bonded Turntrans-95-6.5174.900000113.7G86 R90G86-A88 PolarHBondContact O-N 3.06Å; A88-R90 PolarHBondContact O-N 3.11Å
89A36.2Very low39.2Very low68 Ų68125.8 Ų125.856%0.56268%0.678SS**  trans-70.490.5177.300000111.6G86G86-A89 PolarHBondContact O-N 3.03Å
90R36.4Very low37.4Very low236 Ų236129 Ų12989%0.89170%0.701SS**  trans-69.8143.4163.6-76-179167-175.9-4.2110A88 P92A88-R90 PolarHBondContact O-N 3.11Å; R90-P92 WeakPolarHBondContact O-CD 3.48Å
91D40.9Very low35.9Very low160 Ų160130.8 Ų130.886%0.85672%0.715SS**  trans-52.1127.9174.3-86.6-63.7000113
92P36.1Very low34.9Very low106 Ų106134.1 Ų134.169%0.68874%0.741SS**  trans-99.3101.5155.732.4-20.6000109.5R90 T94R90-P92 WeakPolarHBondContact O-CD 3.48Å; P92-T94 PolarHBondContact O-N 3.24Å; P92-T94 VanDerWaalsContact O-N 3.16Å
93E41.8Very low33.8Very low191 Ų191137.4 Ų137.489%0.89377%0.768SS**  trans-59.5116.4158-77.9-167.299.900108.7
94T29.5Very low33.3Very low127 Ų127137.2 Ų137.278%0.77977%0.772SS**  trans-142.7128166.3-51.80000110.2P92P92-T94 PolarHBondContact O-N 3.24Å; P92-T94 VanDerWaalsContact O-N 3.16Å
95K30.9Very low33Very low191 Ų191135.3 Ų135.383%0.8377%0.77SS**PPolyproline II helixtrans-81.4150.2-175.1-64.8166.2-178.4169.30111.1
96C23.2Very low32.6Very low120 Ų120137.3 Ų137.381%0.81178%0.777SS**PPolyproline II helixtrans-66.3138.9168.3-61.20000111.3
97P30Very low32.5Very low127 Ų127142.8 Ų142.883%0.82580%0.8SS**PPolyproline II helixtrans-71.9166.7161.9-16.832000113
98T29.1Very low32.1Very low127 Ų127143.6 Ų143.678%0.77979%0.788SS**  trans-126.8170.4176.957.40000109.3
99E28.1Very low31.5Very low177 Ų177147.5 Ų147.583%0.82779%0.79SS**  cis-115.6-134.36.4-55.8170160.100109.2
100T27.3Very low31.2Very low121 Ų121153.4 Ų153.474%0.74281%0.806SS**  cis-143.6154.85.645.40000110.8
101D30.4Very low31.1Very low162 Ų162151.6 Ų151.687%0.86681%0.807SS**  trans-109154.2160-83.7-57.6000110.1
102P35.7Very low30.5Very low119 Ų119153.5 Ų153.577%0.77380%0.802SS**  trans-127.5107.3158.834.1-19.4000114
103A28.2Very low30.2Very low97 Ų97155.5 Ų155.580%0.80280%0.803SS**  trans52.3125.4145.900000122.2
104D29.2Very low29.7Very low157 Ų157156.6 Ų156.684%0.8480%0.799SS**  -143.9-176.2114.3-153.3-6.7000111
105S31.3Very low29.7Very low86 Ų86158.1 Ų158.160%0.60180%0.797SS**  trans-140.6146.4-135.3-39.10000115.1
106R34.7Very low29.6Very low238 Ų238152.6 Ų152.690%0.89879%0.794SS**  trans67.1160.4165-69.4171.6162152.1-6.8115.5
107N30Very low29.8Very low144 Ų144156.2 Ų156.277%0.7780%0.802SS**  cis-128.1170.54.6-155.332.6000113.7
108K29Very low29.7Very low166 Ų166153.6 Ų153.672%0.72280%0.798SS**  trans-104.7166173.8-154.5179-175.4-176.70109.8
109E24.6Very low29.7Very low178 Ų178152.3 Ų152.383%0.83280%0.8SS**  trans67.2146.4-175.7-67.9148.9106.800112.9
110E29.4Very low29.7Very low192 Ų192151.3 Ų151.390%0.89780%0.799SS**  cis-128.8140.114.8-61.2169.810500112.7
111E33.7Very low29.9Very low198 Ų198153.8 Ų153.893%0.92580%0.802SS**  trans-136.297152.1-170-169.5150.600109.1
112R28.8Very low29.7Very low199 Ų199155.3 Ų155.375%0.75180%0.801SS**  trans-152.892.9170.5-151.1-170.6-171.5-58.9-11.2114.7
113Q28.8Very low29.7Very low148 Ų148154.7 Ų154.769%0.69280%0.797SS**  trans41.9106.3141.2-56.8174.3-13.100119.1
114R31.7Very low29.7Very low215 Ų215156.3 Ų156.381%0.81180%0.797SS**  -167.7124.4118.3-104.1-172.3147.5-161.3-22.8111.5
115E29.1Very low30.3Very low159 Ų159154 Ų15474%0.74379%0.79SS**  50.411593.9-56.9-173.8126.600113.2
116G28.6Very low30.1Very low75 Ų75156.6 Ų156.677%0.77380%0.803SS**  cis-150.9-142.7-3.400000108.5
117M28.2Very low29.8Very low196 Ų196149.3 Ų149.397%0.96679%0.793SS**  cis-173.5157.7-14.751.7177.8179.700106.1
118G27.1Very low30Very low72 Ų72149.5 Ų149.574%0.74280%0.799SS**  cis-171.3-169-4.300000109.2
119A29.3Very low29.8Very low99 Ų99144.9 Ų144.982%0.81880%0.799SS**  trans29.512916200000120.1
120L29.6Very low30.2Very low156 Ų156142.4 Ų142.482%0.81780%0.802SS**  cis-159.6-178.723.8-141.461.2000106.4
121E30Very low30.4Very low174 Ų174139 Ų13981%0.81380%0.796SS**  cis-138.7-16110.2-58.9-167.794.700111.8
122K26.5Very low30.5Very low193 Ų193133 Ų13384%0.83979%0.788SS**  trans-160.1166.1178.3-91.4-171.6-176.3177.40109.2
123P37Very low30.7Very low106 Ų106131.7 Ų131.769%0.68880%0.795SS**  cis-146-169.5-26.835.6-12.9000115.5
124V27.5Very low30.7Very low132 Ų132134.3 Ų134.380%0.880%0.804SS**  trans74.3173.2158.4-113.40000119.5
125P42.5Very low30.9Very low108 Ų108128.2 Ų128.270%0.70180%0.8SS**  -132.5-143.6-120.447.2-26000114.9
126V25.7Very low31.2Very low141 Ų141126.6 Ų126.686%0.85580%0.803SS**  trans77.2144.4174.91610000113.4
127A28.1Very low31.5Very low85 Ų85132.6 Ų132.670%0.70281%0.811SS**  cis-133.7152.215.400000115.4
128T34.2Very low31.7Very low147 Ų147127.1 Ų127.190%0.90280%0.797SS**  trans-75.3130.8150.3480000110
129G25.9Very low32Very low70 Ų70129.9 Ų129.972%0.72280%0.802SS**  trans-162.664.4-173.700000116.6P131G129-P131 WeakPolarHBondContact O-CD 3.47Å
130S32.6Very low32.2Very low125 Ų125133.6 Ų133.687%0.87481%0.807SS**  trans-97.7107.1167.8-64.60000110.4G132S130-G132 PolarHBondContact O-N 3.23Å
131P33.9Very low32.3Very low120 Ų120130.9 Ų130.978%0.77981%0.807SS**  trans-73.2117.2-178.528.1-33.4000111.5G129 L133G129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-L133 PolarHBondContact O-N 3.18Å
132G34.8Very low32.6Very low74 Ų74125.8 Ų125.876%0.76380%0.801SS**  trans-74.5112175.800000112.2S130S130-G132 PolarHBondContact O-N 3.23Å
133L33.2Very low33.1Very low171 Ų171122.2 Ų122.290%0.89580%0.798SS**  trans-84.1115.4169.4-68178.4000110.2P131P131-L133 PolarHBondContact O-N 3.18Å
134K30.1Very low33.1Very low202 Ų202123 Ų12388%0.87880%0.803SS**  trans-64132.8-179.2-63.3176.4-179.4176.50110.6
135A35.7Very low33.5Very low88 Ų88127.1 Ų127.173%0.72781%0.806SS**  trans-67.8127166.600000109.6Q137A135-Q137 PolarHBondContact O-N 3.01Å
136P33.9Very low33.1Very low125 Ų125126 Ų12681%0.81282%0.815SS**  trans-71.7112.2175.328.2-32.5000109.8
137Q36.2Very low33.1Very low200 Ų200128.4 Ų128.494%0.93581%0.808SS**  trans-77.3124.3164.3-66.6-174.658.900108.6A135A135-Q137 PolarHBondContact O-N 3.01Å
138A31.6Very low33.2Very low81 Ų81133.6 Ų133.667%0.66982%0.818SS**  trans-130.4141.1169.400000108.4L140A138-L140 PolarHBondContact O-N 3.38Å
139P32.8Very low32.9Very low131 Ų131133.3 Ų133.385%0.85181%0.806SS**  trans-72.9129.6-168.728.3-34.7000112.1A141P139-A141 PolarHBondContact O-N 2.98Å
140L33.5Very low33.2Very low176 Ų176135.8 Ų135.892%0.92181%0.81SS**  trans-82.4101169.9-70.2175.2000109.8A138A138-L140 PolarHBondContact O-N 3.38Å
141A32.1Very low33.3Very low100 Ų100135.5 Ų135.583%0.82681%0.808SS**PPolyproline II helixtrans-65.7131.1163.100000109.8P139P139-A141 PolarHBondContact O-N 2.98Å
142G36.9Very low33.3Very low67 Ų67139.7 Ų139.769%0.69181%0.814SS**PPolyproline II helixtrans-81.8149.4-17900000113.2
143P37.3Very low33.3Very low118 Ų118139.3 Ų139.377%0.76680%0.803SS**PPolyproline II helixtrans-64.8146.8171.5-20.933.5000112.8Y145P143-Y145 PolarHBondContact O-N 3.23Å
144P37Very low33.5Very low123 Ų123137.3 Ų137.380%0.79980%0.8SS**  trans-84.596.2-173.733.1-34.9000112.6
145Y35.3Very low33.7Very low217 Ų217136.1 Ų136.185%0.85180%0.798SS**  trans-131.2106.4159.7-83.5-79.8000109.9P143 W147P143-Y145 PolarHBondContact O-N 3.23Å; Y145-W147 PolarHBondContact O-N 2.93Å
146G34.8Very low33.9Very low86 Ų86143.7 Ų143.789%0.88781%0.808SS**  trans-70.1123.9179.600000111.7
147W26Very low34.2Very low190 Ų190141.5 Ų141.572%0.7281%0.807SS**  trans-120.7115.7155.658.6-78.7000106Y145 Q149Y145-W147 PolarHBondContact O-N 2.93Å; W147-Q149 HydrophobicContact CE3-CG 4.17Å; W147-Q149 HydrophobicContact CH2-CG 4.02Å; W147-Q149 HydrophobicContact CZ3-CG 3.69Å
148E29.5Very low34.1Very low194 Ų194143.3 Ų143.391%0.90781%0.806SS**PPolyproline II helixtrans-70.4137.6-179-63.7-175.498.500109.7P150E148-P150 WeakPolarHBondContact O-CD 3.31Å
149Q28.8Very low34.6Very low141 Ų141145.2 Ų145.266%0.65981%0.811SS**PPolyproline II helixtrans-87.3122.5179.6-61.8-162-4.700110W147 S151W147-Q149 HydrophobicContact CE3-CG 4.17Å; W147-Q149 HydrophobicContact CH2-CG 4.02Å; W147-Q149 HydrophobicContact CZ3-CG 3.69Å; Q149-S151 PolarHBondContact O-N 3.22Å
150P32Very low34.7Very low123 Ų123143.6 Ų143.680%0.79980%0.803SS**PPolyproline II helixtrans-60.7127.2167.4-22.134.4000110.3E148E148-P150 WeakPolarHBondContact O-CD 3.31Å
151S32.9Very low35.2Very low118 Ų118143.4 Ų143.483%0.82580%0.802SS**PPolyproline II helixtrans-56.7139.8-175.4-59.50000113.2Q149 A153Q149-S151 PolarHBondContact O-N 3.22Å; S151-A153 PolarHBondContact O-N 2.67Å; S151-A153 VanDerWaalsContact O-N 3.17Å
152K35.4Very low35.4Very low208 Ų208142.7 Ų142.790%0.90479%0.79SS**  trans-69109.8179.1-67.3-179.3-179.2176.50111.7
153A34.2Very low35.1Very low66 Ų66144.3 Ų144.355%0.54580%0.797SS.*  trans-101.7138.8163.700000110.9S151 H155S151-A153 PolarHBondContact O-N 2.67Å; S151-A153 VanDerWaalsContact O-N 3.17Å; A153-H155 PolarHBondContact O-N 3.41Å; A153-H155 VanDerWaalsContact O-N 3.09Å
154P37.3Very low35.5Very low129 Ų129146.4 Ų146.484%0.83880%0.796SS**  trans-83.983.2-174.333.4-35.5000112.4R156P154-R156 PolarHBondContact O-N 3.17Å
155H34.7Very low36Very low178 Ų178144.9 Ų144.982%0.82479%0.786SS**  trans-71.2112.9173.6-73.5-81.6000111.8A153A153-H155 PolarHBondContact O-N 3.41Å; A153-H155 VanDerWaalsContact O-N 3.09Å
156R40.5Very low36.7Very low247 Ų247140 Ų14093%0.93278%0.781SS**  trans-69.6136.3171.1-67.1-173.6179-148.52.4111.1P154P154-R156 PolarHBondContact O-N 3.17Å
157G40.2Very low37.6Very low78 Ų78142.2 Ų142.280%0.80478%0.777SS**  trans60.989.2145.300000119.3
158R33.1Very low38.7Very low238 Ų238134.9 Ų134.990%0.89875%0.754SS**  trans-135.4132.5142.6-81.2177.467.5-179.41.7108.8
159P41.5Very low39.8Very low122 Ų122136.2 Ų136.279%0.79275%0.751SS**  trans-70.2133.2175.328.8-33.2000110.3
160S35.9Very low41.1Very low97 Ų97133.4 Ų133.468%0.67875%0.752SS**  trans-92112.8175.6-174.80000109.8C162S160-C162 PolarHBondContact O-N 3.11Å; S160-C162 VanDerWaalsContact O-N 3.09Å
161L43Very low42.3Very low171 Ų171134.9 Ų134.990%0.89575%0.753SS**  trans-80.328.2176.9-66.9173.8000113.1A163L161-A163 PolarHBondContact O-N 3.3Å
162C36.8Very low43.9Very low86 Ų86135.8 Ų135.858%0.58174%0.744SS**  trans-91.575.5173.9-68.50000110.5S160 H164S160-C162 PolarHBondContact O-N 3.11Å; S160-C162 VanDerWaalsContact O-N 3.09Å; C162-H164 VanDerWaalsContact C-N 3.3Å; C162-H164 PolarHBondContact O-N 2.88Å
163A31.5Very low46Very low100 Ų100132.6 Ų132.683%0.82673%0.726SS**  trans-69.784.417300000110.9L161L161-A163 PolarHBondContact O-N 3.3Å
164H44.5Very low48.3Very low162 Ų162132 Ų13275%0.7571%0.712SS**PPolyproline II helixtrans-61.5133.2162.6-62.9-70.9000108.7C162C162-H164 VanDerWaalsContact C-N 3.3Å; C162-H164 PolarHBondContact O-N 2.88Å
165P49Very low50.5Low92 Ų92128 Ų12860%0.59770%0.695SS**PPolyproline II helixtrans-59.6137.8176.125.1-33.5000109.4V167P165-V167 PolarHBondContact O-N 2.99Å
166P49.5Very low53.1Low114 Ų114119.8 Ų119.874%0.7466%0.657SS**PPolyproline II helixtrans-60.5133.9-174.724.4-33.9000110.4P168P166-P168 WeakPolarHBondContact O-CD 3.5Å
167V53.5Low55.2Low133 Ų133117.2 Ų117.281%0.80665%0.649SS**PPolyproline II helixtrans-61.8122.9175.7-175.80000108.2P165 R169P165-V167 PolarHBondContact O-N 2.99Å; V167-R169 PolarHBondContact O-N 3.17Å
168P49.7Very low57.4Low35 Ų35117 Ų11723%0.22763%0.631CS.*PPolyproline II helixtrans-59.6140.9-177.7-25.935.8000111.1P166 Q172 W185P166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-Q172 HydrophobicContact CB-CB 4.46Å; P168-W185 VanDerWaalsContact CD-CH2 3.42Å; P168-W185 HydrophobicContact CG-CD2 4.41Å; P168-W185 HydrophobicContact CG-CE3 3.92Å; P168-W185 HydrophobicContact CG-CH2 3.59Å; P168-W185 HydrophobicContact CG-CZ2 4.06Å; P168-W185 HydrophobicContact CG-CZ3 3.49Å; P168-W185 VanDerWaalsContact CG-CZ3 3.49Å
169R52.8Low60Low223 Ų223108.2 Ų108.284%0.84261%0.606SS**PPolyproline II helixtrans-59.5147.3171.1-67.5-174.6176.6-167-0.4108.9V167 D171 Q172V167-R169 PolarHBondContact O-N 3.17Å; R169-D171 PolarHBondContact O-N 3.48Å; R169-Q172 PolarHBondContact O-N 3.05Å
170A56Low62Low82 Ų82105.6 Ų105.668%0.67860%0.601SS**THydrogen-bonded Turntrans-57.7-14.6-167.100000115.9R173A170-R173 WeakPolarHBondContact O-CD 3.22Å; A170-R173 WeakPolarHBondContact O-CG 3.39Å
171D57.5Low64.5Low153 Ų153106.6 Ų106.682%0.81859%0.593SS**THydrogen-bonded Turntrans-71.2-38.2176.5-166.527.7000113.3R169 R173R169-D171 PolarHBondContact O-N 3.48Å; D171-R173 PolarHBondContact O-N 3.06Å
172Q65.2Low66.7Low137 Ų137101.3 Ų101.364%0.6457%0.57SS**  trans-82.667.4178.5-73.5-171.5-10.800112P168 R169P168-Q172 HydrophobicContact CB-CB 4.46Å; R169-Q172 PolarHBondContact O-N 3.05Å
173R79Confident69.1Low142 Ų14299.2 Ų99.254%0.53655%0.551SS.*  trans-102.4126.4174.5-82.5176.9174.6-87.8-6.6111.5A170 D171 G175 S182A170-R173 WeakPolarHBondContact O-CD 3.22Å; A170-R173 WeakPolarHBondContact O-CG 3.39Å; D171-R173 PolarHBondContact O-N 3.06Å; R173-G175 PolarHBondContact O-N 3.48Å; R173-S182 PolarHBondContact NH1-OG 3.24Å
174H82.8Confident71.7Confident52 Ų5296.7 Ų96.724%0.24153%0.531CS..EExtended strand (participates in β ladder)trans-89.5107178.6-60.6-72.3000110.2F183 R186 L189H174-F183 PolarHBondContact N-O 2.95Å; H174-F183 PolarHBondContact O-N 3.21Å; H174-R186 PolarHBondContact CD2-N 2.67Å; H174-R186 PolarHBondContact NE2-N 2.64Å; H174-L189 HydrophobicContact CB-CB 4.01Å; H174-L189 HydrophobicContact CB-CD2 3.74Å; H174-L189 HydrophobicContact CB-CG 4.49Å
175G83.7Confident73.5Confident47 Ų4794.1 Ų94.149%0.48552%0.515SS..EExtended strand (participates in β ladder)trans-81.7140.1179.500000113.7R173 L189R173-G175 PolarHBondContact O-N 3.48Å; G175-L189 WeakPolarHBondContact O-CD2 3.24Å
176C89.3Confident75.1Confident4 Ų498.2 Ų98.23%0.02752%0.518CS..  trans-85.7117.9169.3-176.60000110.8V178 C179 G180 K181 F183 L189 H196C176-V178 PolarHBondContact O-N 2.74Å; C176-C179 PolarHBondContact O-N 3.45Å; C176-G180 WeakPolarHBondContact O-CA 3.48Å; C176-G180 PolarHBondContact O-N 2.74Å; C176-K181 PolarHBondContact N-O 2.91Å; C176-F183 HydrophobicContact CB-CE2 4.26Å; C176-L189 HydrophobicContact CB-CD1 3.56Å; C176-H196 PolarHBondContact SG-NE2 3.09Å; C176-H196 VanDerWaalsContact SG-NE2 3.37Å
177Y84.3Confident76.6Confident194 Ų19496.6 Ų96.676%0.76151%0.509SS*.THydrogen-bonded Turntrans-64.1-27-179.469.3-89.5000113.5
178V86.3Confident78.1Confident73 Ų7392.6 Ų92.644%0.44249%0.486SS..THydrogen-bonded Turntrans-76.7-33-178.2-172.60000112.9C176 H196C176-V178 PolarHBondContact O-N 2.74Å; V178-H196 HydrophobicContact CG1-CB 4.19Å; V178-H196 HydrophobicContact CG2-CB 4.32Å
179C88.1Confident79.7Confident53 Ų5392.2 Ų92.236%0.35848%0.481SS..THydrogen-bonded Turntrans-145.620.9-173.979.30000115.6C176 K181 H192 H196C176-C179 PolarHBondContact O-N 3.45Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-K181 VanDerWaalsContact SG-CD 3.58Å; C179-H192 PolarHBondContact SG-NE2 3.2Å; C179-H196 VanDerWaalsContact SG-CE1 3.55Å
180G83.3Confident81.2Confident67 Ų6784.6 Ų84.669%0.69146%0.46SS*.  trans67-6.6172.200000117.2C176 S182C176-G180 WeakPolarHBondContact O-CA 3.48Å; C176-G180 PolarHBondContact O-N 2.74Å; G180-S182 PolarHBondContact O-N 3.07Å
181K88.4Confident82.4Confident119 Ų11984 Ų8452%0.51744%0.443SS..  trans-64.5132.3-176.4-70.2174.9-169.41650110.9C176 C179 F183C176-K181 PolarHBondContact N-O 2.91Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-K181 VanDerWaalsContact SG-CD 3.58Å; K181-F183 HydrophobicContact CB-CE2 3.6Å; K181-F183 HydrophobicContact CB-CZ 3.91Å; K181-F183 WeakPolarHBondContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CE2 3.49Å
182S88.9Confident83.7Confident59 Ų5977.8 Ų77.841%0.41341%0.409SS..EExtended strand (participates in β ladder)trans-102.2135.2178.370.80000112.3R173 G180R173-S182 PolarHBondContact NH1-OG 3.24Å; G180-S182 PolarHBondContact O-N 3.07Å
183F86.9Confident84.6Confident42 Ų4272.7 Ų72.718%0.18439%0.387CS..EExtended strand (participates in β ladder)trans-118.3144.2-175.9-63.9-91.9000110.6H174 C176 K181 W185 L189 H192H174-F183 PolarHBondContact N-O 2.95Å; H174-F183 PolarHBondContact O-N 3.21Å; C176-F183 HydrophobicContact CB-CE2 4.26Å; K181-F183 HydrophobicContact CB-CE2 3.6Å; K181-F183 HydrophobicContact CB-CZ 3.91Å; K181-F183 WeakPolarHBondContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CE2 3.49Å; F183-W185 PolarHBondContact O-N 3.38Å; F183-L189 HydrophobicContact CB-CB 4.19Å; F183-L189 HydrophobicContact CD2-CB 4.12Å; F183-L189 HydrophobicContact CD2-CD1 3.88Å; F183-L189 HydrophobicContact CE2-CD1 4.17Å; F183-L189 HydrophobicContact CG-CB 4.27Å; F183-H192 HydrophobicContact CE1-CB 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.06Å; F183-H192 AromaticContact CE2-CD2 3.24Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; F183-H192 AromaticContact CE2-CG 3.79Å; F183-H192 HydrophobicContact CZ-CB 3.55Å; F183-H192 AromaticContact CZ-CD2 3.21Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.48Å; F183-H192 AromaticContact CZ-CG 3.31Å; F183-H192 AromaticContact CZ-NE2 3.98Å
184A86.8Confident84.8Confident48 Ų4868.9 Ų68.940%0.39737%0.373SS..SBendtrans-74.1-12.6178.600000113.7
185W83.1Confident84.8Confident108 Ų10870.3 Ų70.341%0.40939%0.389SS..SBendtrans-141.1142.6-176.5-57.6109.4000110.9P168 F183 S187 T188 L189P168-W185 VanDerWaalsContact CD-CH2 3.42Å; P168-W185 HydrophobicContact CG-CD2 4.41Å; P168-W185 HydrophobicContact CG-CE3 3.92Å; P168-W185 HydrophobicContact CG-CH2 3.59Å; P168-W185 HydrophobicContact CG-CZ2 4.06Å; P168-W185 HydrophobicContact CG-CZ3 3.49Å; P168-W185 VanDerWaalsContact CG-CZ3 3.49Å; F183-W185 PolarHBondContact O-N 3.38Å; W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 3.2Å; W185-T188 HydrophobicContact CB-CG2 4.49Å; W185-T188 PolarHBondContact O-N 2.89Å; W185-T188 PolarHBondContact O-OG1 3.24Å; W185-T188 VanDerWaalsContact O-OG1 3.07Å; W185-L189 PolarHBondContact O-N 3.05Å; W185-L189 VanDerWaalsContact O-N 3.15Å
186R82.8Confident84.8Confident177 Ų17771.4 Ų71.467%0.66838%0.381SS*.Hα-helixtrans-64.6-33.7-179.9-159.7177.5-177.8109.71.4112H174 L189 V190H174-R186 PolarHBondContact CD2-N 2.67Å; H174-R186 PolarHBondContact NE2-N 2.64Å; R186-L189 PolarHBondContact O-N 3.37Å; R186-V190 WeakPolarHBondContact O-CG2 3.41Å; R186-V190 PolarHBondContact O-N 3.03Å
187S81.2Confident84.4Confident80 Ų8074.6 Ų74.656%0.55940%0.401SS*.Hα-helixtrans-61-43.7173.749.50000112.8W185 L189 V190 E191W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 3.2Å; S187-L189 VanDerWaalsContact C-N 3.35Å; S187-V190 PolarHBondContact O-N 3.39Å; S187-E191 PolarHBondContact O-N 3.45Å
188T83.4Confident84.2Confident50 Ų5067.5 Ų67.531%0.30739%0.387SS..Hα-helixtrans-75.6-23.3178.856.80000113W185 H192W185-T188 HydrophobicContact CB-CG2 4.49Å; W185-T188 PolarHBondContact O-N 2.89Å; W185-T188 PolarHBondContact O-OG1 3.24Å; W185-T188 VanDerWaalsContact O-OG1 3.07Å; T188-H192 WeakPolarHBondContact O-CB 3.38Å; T188-H192 PolarHBondContact O-N 2.63Å; T188-H192 VanDerWaalsContact O-N 3.12Å
189L84.9Confident84Confident26 Ų2669 Ų6914%0.13639%0.389CS..Hα-helixtrans-65.6-47163.1172.361.4000111.4H174 G175 C176 F183 W185 R186 S187 H192 V193H174-L189 HydrophobicContact CB-CB 4.01Å; H174-L189 HydrophobicContact CB-CD2 3.74Å; H174-L189 HydrophobicContact CB-CG 4.49Å; G175-L189 WeakPolarHBondContact O-CD2 3.24Å; C176-L189 HydrophobicContact CB-CD1 3.56Å; F183-L189 HydrophobicContact CB-CB 4.19Å; F183-L189 HydrophobicContact CD2-CB 4.12Å; F183-L189 HydrophobicContact CD2-CD1 3.88Å; F183-L189 HydrophobicContact CE2-CD1 4.17Å; F183-L189 HydrophobicContact CG-CB 4.27Å; W185-L189 PolarHBondContact O-N 3.05Å; W185-L189 VanDerWaalsContact O-N 3.15Å; R186-L189 PolarHBondContact O-N 3.37Å; S187-L189 VanDerWaalsContact C-N 3.35Å; L189-H192 CarbonylContact O-C 3.33Å; L189-H192 WeakPolarHBondContact O-CA 3.47Å; L189-H192 WeakPolarHBondContact O-CB 3.37Å; L189-H192 PolarHBondContact O-N 3.47Å; L189-H192 VanDerWaalsContact O-N 3.09Å; L189-V193 HydrophobicContact CD1-CG2 4.14Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.43Å
190V83.1Confident83.9Confident64 Ų6471.9 Ų71.939%0.38840%0.395SS..Hα-helixtrans-62.4-46.6179.4170.60000111.2R186 S187 H192 V193 Y194R186-V190 WeakPolarHBondContact O-CG2 3.41Å; R186-V190 PolarHBondContact O-N 3.03Å; S187-V190 PolarHBondContact O-N 3.39Å; V190-H192 PolarHBondContact O-N 2.86Å; V190-V193 PolarHBondContact O-N 3.28Å; V190-Y194 HydrophobicContact CG1-CE1 4.24Å; V190-Y194 HydrophobicContact CG1-CE2 4.18Å; V190-Y194 WeakPolarHBondContact CG1-OH 3.2Å; V190-Y194 PolarHBondContact O-N 3.26Å
191E81.9Confident84Confident68 Ų6871.6 Ų71.632%0.31838%0.381SS..Hα-helixtrans-57.6-33.2172.6-72.3-163.7149.800112.6S187 H213S187-E191 PolarHBondContact O-N 3.45Å; E191-H213 IonicContact OE1-ND1 2.83Å; E191-H213 PolarHBondContact OE1-ND1 3.12Å; E191-H213 IonicContact OE2-CE1 3.4Å; E191-H213 PolarHBondContact OE2-CE1 3.01Å; E191-H213 IonicContact OE2-ND1 3.38Å; E191-H213 PolarHBondContact OE2-ND1 3.08Å
192H84.1Confident83.9Confident24 Ų2469.3 Ų69.311%0.11137%0.371CS..Hα-helixtrans-74.3-34.2174.1174.547.7000113.1C179 F183 T188 L189 V190 Y194 S195 H196C179-H192 PolarHBondContact SG-NE2 3.2Å; F183-H192 HydrophobicContact CE1-CB 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.06Å; F183-H192 AromaticContact CE2-CD2 3.24Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; F183-H192 AromaticContact CE2-CG 3.79Å; F183-H192 HydrophobicContact CZ-CB 3.55Å; F183-H192 AromaticContact CZ-CD2 3.21Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.48Å; F183-H192 AromaticContact CZ-CG 3.31Å; F183-H192 AromaticContact CZ-NE2 3.98Å; T188-H192 WeakPolarHBondContact O-CB 3.38Å; T188-H192 PolarHBondContact O-N 2.63Å; T188-H192 VanDerWaalsContact O-N 3.12Å; L189-H192 CarbonylContact O-C 3.33Å; L189-H192 WeakPolarHBondContact O-CA 3.47Å; L189-H192 WeakPolarHBondContact O-CB 3.37Å; L189-H192 PolarHBondContact O-N 3.47Å; L189-H192 VanDerWaalsContact O-N 3.09Å; V190-H192 PolarHBondContact O-N 2.86Å; H192-Y194 PolarHBondContact O-N 2.94Å; H192-S195 PolarHBondContact CE1-OG 3.39Å; H192-S195 PolarHBondContact ND1-OG 2.88Å; H192-S195 WeakPolarHBondContact O-CB 3.34Å; H192-S195 PolarHBondContact O-N 3.39Å; H192-S195 PolarHBondContact O-OG 3.46Å; H192-H196 AromaticContact CD2-NE2 3.88Å; H192-H196 AromaticContact CE1-CE1 3.75Å; H192-H196 AromaticContact CE1-NE2 3.2Å; H192-H196 PolarHBondContact CE1-NE2 2.91Å; H192-H196 AromaticContact NE2-CD2 3.98Å; H192-H196 AromaticContact NE2-CE1 3.85Å; H192-H196 AromaticContact NE2-NE2 3.02Å; H192-H196 PolarHBondContact NE2-NE2 3.47Å
193V83.7Confident83.8Confident30 Ų3071.8 Ų71.818%0.18238%0.376CS..Hα-helixtrans-61.3-34.9177.41690000111.4L189 V190 S195 H196 T197L189-V193 HydrophobicContact CD1-CG2 4.14Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.43Å; V190-V193 PolarHBondContact O-N 3.28Å; V193-S195 PolarHBondContact O-N 2.59Å; V193-S195 VanDerWaalsContact O-N 3.08Å; V193-H196 PolarHBondContact O-N 3.28Å; V193-T197 HydrophobicContact CG1-CG2 4.05Å; V193-T197 PolarHBondContact O-N 2.81Å; V193-T197 VanDerWaalsContact O-N 3.07Å; V193-T197 PolarHBondContact O-OG1 3.42Å
194Y84.8Confident83.9Confident61 Ų6169.9 Ų69.924%0.23937%0.368CS..Hα-helixtrans-56.1-24.4170.9-56.7-34.2000114.1V190 H192 H196 T197 G198 E199 P201 G212V190-Y194 HydrophobicContact CG1-CE1 4.24Å; V190-Y194 HydrophobicContact CG1-CE2 4.18Å; V190-Y194 WeakPolarHBondContact CG1-OH 3.2Å; V190-Y194 PolarHBondContact O-N 3.26Å; H192-Y194 PolarHBondContact O-N 2.94Å; Y194-H196 VanDerWaalsContact C-N 3.29Å; Y194-H196 PolarHBondContact O-N 2.93Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.5Å; Y194-G198 WeakPolarHBondContact O-CA 3.41Å; Y194-G198 PolarHBondContact O-N 2.93Å; Y194-E199 HydrophobicContact CD1-CB 3.92Å; Y194-P201 HydrophobicContact CD2-CG 4.33Å; Y194-P201 HydrophobicContact CE1-CG 4.15Å; Y194-P201 HydrophobicContact CE2-CG 3.88Å; Y194-G212 WeakPolarHBondContact CD2-O 3.47Å
195S82.4Confident84Confident82 Ų8272.7 Ų72.757%0.57338%0.38SS*.Hα-helixtrans-77-11.8174.872.80000114.3H192 V193H192-S195 PolarHBondContact CE1-OG 3.39Å; H192-S195 PolarHBondContact ND1-OG 2.88Å; H192-S195 WeakPolarHBondContact O-CB 3.34Å; H192-S195 PolarHBondContact O-N 3.39Å; H192-S195 PolarHBondContact O-OG 3.46Å; V193-S195 PolarHBondContact O-N 2.59Å; V193-S195 VanDerWaalsContact O-N 3.08Å
196H83.1Confident84.1Confident71 Ų7171.6 Ų71.633%0.32938%0.383SS..Hα-helixtrans-100.5-43.5171.9-56.7-65000112C176 V178 C179 H192 V193 Y194 G198C176-H196 PolarHBondContact SG-NE2 3.09Å; C176-H196 VanDerWaalsContact SG-NE2 3.37Å; V178-H196 HydrophobicContact CG1-CB 4.19Å; V178-H196 HydrophobicContact CG2-CB 4.32Å; C179-H196 VanDerWaalsContact SG-CE1 3.55Å; H192-H196 AromaticContact CD2-NE2 3.88Å; H192-H196 AromaticContact CE1-CE1 3.75Å; H192-H196 AromaticContact CE1-NE2 3.2Å; H192-H196 PolarHBondContact CE1-NE2 2.91Å; H192-H196 AromaticContact NE2-CD2 3.98Å; H192-H196 AromaticContact NE2-CE1 3.85Å; H192-H196 AromaticContact NE2-NE2 3.02Å; H192-H196 PolarHBondContact NE2-NE2 3.47Å; V193-H196 PolarHBondContact O-N 3.28Å; Y194-H196 VanDerWaalsContact C-N 3.29Å; Y194-H196 PolarHBondContact O-N 2.93Å; H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 2.89Å
197T81.9Confident84.4Confident71 Ų7165.5 Ų65.544%0.43637%0.367SS..Hα-helixtrans-74.4-21179.158.70000112.9V193 Y194 E199V193-T197 HydrophobicContact CG1-CG2 4.05Å; V193-T197 PolarHBondContact O-N 2.81Å; V193-T197 VanDerWaalsContact O-N 3.07Å; V193-T197 PolarHBondContact O-OG1 3.42Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.5Å; T197-E199 VanDerWaalsContact CB-OE2 3.25Å; T197-E199 WeakPolarHBondContact CB-OE2 3.38Å; T197-E199 PolarHBondContact O-N 2.96Å; T197-E199 WeakPolarHBondContact OG1-CB 3.46Å; T197-E199 VanDerWaalsContact OG1-CD 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.3Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 3.49Å
198G79.7Confident84.5Confident45 Ų4564.3 Ų64.346%0.46437%0.367SS..  trans77.70.3-175.800000114.1Y194 H196Y194-G198 WeakPolarHBondContact O-CA 3.41Å; Y194-G198 PolarHBondContact O-N 2.93Å; H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 2.89Å
199E80.9Confident84.7Confident104 Ų10467.8 Ų67.849%0.48638%0.378SS..  trans-58.8144.5177.5-68.8167.3128.700111.7Y194 T197Y194-E199 HydrophobicContact CD1-CB 3.92Å; T197-E199 VanDerWaalsContact CB-OE2 3.25Å; T197-E199 WeakPolarHBondContact CB-OE2 3.38Å; T197-E199 PolarHBondContact O-N 2.96Å; T197-E199 WeakPolarHBondContact OG1-CB 3.46Å; T197-E199 VanDerWaalsContact OG1-CD 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.3Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 3.49Å
200K86.4Confident84.8Confident114 Ų11467.5 Ų67.550%0.49638%0.382SS..  trans-139.972-172-78.1157.2-174.6160.40110.5F202 H203 G210 F211K200-F202 PolarHBondContact O-N 3.35Å; K200-H203 PolarHBondContact O-CE1 3.34Å; K200-H203 PolarHBondContact O-ND1 3.46Å; K200-G210 WeakPolarHBondContact CD-O 3.35Å; K200-F211 CarbonylContact C-O 3.5Å; K200-F211 VanDerWaalsContact C-O 3.3Å; K200-F211 WeakPolarHBondContact CA-O 3.31Å
201P84.7Confident84.9Confident61 Ų6166.8 Ų66.840%0.39637%0.373SS..  trans-56.1-31.6-172.5-26.535.5000113.9Y194 H203Y194-P201 HydrophobicContact CD2-CG 4.33Å; Y194-P201 HydrophobicContact CE1-CG 4.15Å; Y194-P201 HydrophobicContact CE2-CG 3.88Å; P201-H203 PolarHBondContact O-N 3.26Å; P201-H203 PolarHBondContact O-ND1 3.32Å
202F86.4Confident85Confident70 Ų7064.3 Ų64.331%0.30737%0.366SS..EExtended strand (participates in β ladder)trans-94.896.9-171.6-54.1-77.7000111.7K200 G210 F211 A214 L217K200-F202 PolarHBondContact O-N 3.35Å; F202-G210 CarbonylContact O-C 3.59Å; F202-F211 HydrophobicContact CB-CB 4.43Å; F202-F211 WeakPolarHBondContact CB-O 3.4Å; F202-F211 WeakPolarHBondContact CD2-O 3.3Å; F202-F211 PolarHBondContact N-O 3.07Å; F202-F211 VanDerWaalsContact N-O 3.09Å; F202-F211 PolarHBondContact O-N 3.4Å; F202-A214 HydrophobicContact CD1-CB 3.81Å; F202-A214 VanDerWaalsContact CD2-N 3.28Å; F202-A214 HydrophobicContact CE1-CB 3.69Å; F202-A214 HydrophobicContact CE2-CB 4.44Å; F202-A214 HydrophobicContact CG-CB 4.24Å; F202-A214 HydrophobicContact CZ-CB 4.03Å; F202-L217 HydrophobicContact CB-CB 4.07Å; F202-L217 HydrophobicContact CB-CD2 3.89Å
203H87.8Confident84.9Confident111 Ų11166.7 Ų66.751%0.51438%0.377SS..EExtended strand (participates in β ladder)trans-91.6142.3-178.8-6986.3000113.7K200 P201 L217K200-H203 PolarHBondContact O-CE1 3.34Å; K200-H203 PolarHBondContact O-ND1 3.46Å; P201-H203 PolarHBondContact O-N 3.26Å; P201-H203 PolarHBondContact O-ND1 3.32Å; H203-L217 WeakPolarHBondContact O-CD2 3.35Å
204C89.8Confident84.9Confident3 Ų367.2 Ų67.22%0.0239%0.385CS..  trans-82.4116.1170.2-179.10000110.7D206 G208 K209 F211 L217C204-D206 PolarHBondContact O-N 2.9Å; C204-D206 PolarHBondContact SG-N 3.3Å; C204-D206 VanDerWaalsContact SG-N 3.42Å; C204-D206 PolarHBondContact SG-OD2 2.81Å; C204-G208 VanDerWaalsContact O-CA 3.25Å; C204-G208 WeakPolarHBondContact O-CA 3.29Å; C204-G208 PolarHBondContact O-N 3.04Å; C204-K209 HydrophobicContact CB-CB 4.42Å; C204-K209 WeakPolarHBondContact CB-O 3.33Å; C204-K209 PolarHBondContact N-O 3.46Å; C204-F211 HydrophobicContact CB-CE2 4.41Å; C204-L217 HydrophobicContact CB-CD1 3.7Å
205T87.7Confident84.9Confident106 Ų10667.3 Ų67.365%0.6540%0.395SS*.THydrogen-bonded Turntrans-51.9-33.317137.50000113.4R221T205-R221 PolarHBondContact OG1-NH2 3.1Å
206D86.3Confident85.1Confident85 Ų8565.3 Ų65.346%0.45538%0.381SS..THydrogen-bonded Turntrans-92.9-11.9-163.7-26.8-43000112.3C204 H224C204-D206 PolarHBondContact O-N 2.9Å; C204-D206 PolarHBondContact SG-N 3.3Å; C204-D206 VanDerWaalsContact SG-N 3.42Å; C204-D206 PolarHBondContact SG-OD2 2.81Å; D206-H224 HydrophobicContact CB-CB 4.46Å; D206-H224 IonicContact OD2-CD2 3.53Å; D206-H224 PolarHBondContact OD2-CD2 2.97Å; D206-H224 IonicContact OD2-CG 3.45Å
207C87.8Confident85.3Confident50 Ų5062.7 Ų62.734%0.33837%0.369SS..THydrogen-bonded Turntrans-158.617176.670.60000115.9K209 H220 H224C207-K209 PolarHBondContact O-N 3.33Å; C207-K209 VanDerWaalsContact SG-CD 3.59Å; C207-H220 PolarHBondContact SG-NE2 2.98Å; C207-H224 PolarHBondContact SG-NE2 3.24Å
208G84.4Confident85.4Confident55 Ų5563 Ų6357%0.56737%0.374SS*.  trans69.7-5.4177.500000116.5C204 G210C204-G208 VanDerWaalsContact O-CA 3.25Å; C204-G208 WeakPolarHBondContact O-CA 3.29Å; C204-G208 PolarHBondContact O-N 3.04Å; G208-G210 PolarHBondContact O-N 3.35Å
209K87.4Confident85.6Confident122 Ų12265.9 Ų65.953%0.5337%0.374SS..  trans-68.3119.4-173.1-71.2175.2-170.2161.30112.2C204 C207 F211C204-K209 HydrophobicContact CB-CB 4.42Å; C204-K209 WeakPolarHBondContact CB-O 3.33Å; C204-K209 PolarHBondContact N-O 3.46Å; C207-K209 PolarHBondContact O-N 3.33Å; C207-K209 VanDerWaalsContact SG-CD 3.59Å; K209-F211 HydrophobicContact CB-CE2 3.94Å; K209-F211 HydrophobicContact CB-CZ 4.17Å; K209-F211 WeakPolarHBondContact O-CD2 3.25Å; K209-F211 WeakPolarHBondContact O-CE2 3.14Å
210G86.4Confident85.8Confident21 Ų2162 Ų6222%0.21636%0.356CS..EExtended strand (participates in β ladder)trans-83.6145.8174.100000113.9K200 F202 G208K200-G210 WeakPolarHBondContact CD-O 3.35Å; F202-G210 CarbonylContact O-C 3.59Å; G208-G210 PolarHBondContact O-N 3.35Å
211F85.1Confident85.8Confident48 Ų4861.1 Ų61.121%0.21135%0.349CS..EExtended strand (participates in β ladder)trans-131.2146.8176.6-59.9-91.1000111K200 F202 C204 K209 H213 L217 H220K200-F211 CarbonylContact C-O 3.5Å; K200-F211 VanDerWaalsContact C-O 3.3Å; K200-F211 WeakPolarHBondContact CA-O 3.31Å; F202-F211 HydrophobicContact CB-CB 4.43Å; F202-F211 WeakPolarHBondContact CB-O 3.4Å; F202-F211 WeakPolarHBondContact CD2-O 3.3Å; F202-F211 PolarHBondContact N-O 3.07Å; F202-F211 VanDerWaalsContact N-O 3.09Å; F202-F211 PolarHBondContact O-N 3.4Å; C204-F211 HydrophobicContact CB-CE2 4.41Å; K209-F211 HydrophobicContact CB-CE2 3.94Å; K209-F211 HydrophobicContact CB-CZ 4.17Å; K209-F211 WeakPolarHBondContact O-CD2 3.25Å; K209-F211 WeakPolarHBondContact O-CE2 3.14Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.88Å; F211-L217 HydrophobicContact CB-CB 4.45Å; F211-L217 HydrophobicContact CD2-CB 3.99Å; F211-L217 HydrophobicContact CD2-CD1 3.98Å; F211-L217 HydrophobicContact CE2-CD1 4.13Å; F211-L217 HydrophobicContact CG-CB 4.38Å; F211-H220 HydrophobicContact CE1-CB 4.12Å; F211-H220 HydrophobicContact CE2-CB 3.95Å; F211-H220 AromaticContact CE2-CD2 3.31Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.26Å; F211-H220 AromaticContact CE2-CG 3.77Å; F211-H220 HydrophobicContact CZ-CB 3.55Å; F211-H220 AromaticContact CZ-CD2 3.3Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.27Å; F211-H220 AromaticContact CZ-CG 3.34Å; F211-H220 AromaticContact CZ-NE2 3.96Å
212G83.4Confident85.7Confident17 Ų1759 Ų5918%0.17534%0.336CS..SBendtrans-76.8-11.4175.500000115.1Y194Y194-G212 WeakPolarHBondContact CD2-O 3.47Å
213H83.4Confident85.5Confident73 Ų7360.3 Ų60.334%0.33835%0.346SS..SBendtrans-137.2138179.4-50.7-107.5000111.3E191 F211 S215 S216 L217E191-H213 IonicContact OE1-ND1 2.83Å; E191-H213 PolarHBondContact OE1-ND1 3.12Å; E191-H213 IonicContact OE2-CE1 3.4Å; E191-H213 PolarHBondContact OE2-CE1 3.01Å; E191-H213 IonicContact OE2-ND1 3.38Å; E191-H213 PolarHBondContact OE2-ND1 3.08Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.88Å; H213-S215 VanDerWaalsContact C-N 3.28Å; H213-S215 PolarHBondContact O-N 2.93Å; H213-S216 WeakPolarHBondContact O-CB 3.38Å; H213-S216 PolarHBondContact O-N 3.37Å; H213-L217 PolarHBondContact O-N 3.2Å
214A83.7Confident85.2Confident42 Ų4259.1 Ų59.135%0.34734%0.341SS..Hα-helixtrans-55.7-40.9175.900000112.5F202 S216 L217 S218F202-A214 HydrophobicContact CD1-CB 3.81Å; F202-A214 VanDerWaalsContact CD2-N 3.28Å; F202-A214 HydrophobicContact CE1-CB 3.69Å; F202-A214 HydrophobicContact CE2-CB 4.44Å; F202-A214 HydrophobicContact CG-CB 4.24Å; F202-A214 HydrophobicContact CZ-CB 4.03Å; A214-S216 PolarHBondContact O-N 3.02Å; A214-L217 PolarHBondContact O-N 3.02Å; A214-L217 VanDerWaalsContact O-N 3.13Å; A214-S218 PolarHBondContact O-N 3.37Å; A214-S218 PolarHBondContact O-OG 2.84Å
215S84.4Confident84.8Confident63 Ų6368 Ų6844%0.44137%0.373SS..Hα-helixtrans-64.4-23.4179.984.90000113.5H213 K219H213-S215 VanDerWaalsContact C-N 3.28Å; H213-S215 PolarHBondContact O-N 2.93Å; S215-K219 WeakPolarHBondContact O-CD 3.38Å; S215-K219 WeakPolarHBondContact O-CE 3.47Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.43Å; S215-K219 PolarHBondContact OG-NZ 3.48Å; S215-K219 VanDerWaalsContact OG-NZ 3.16Å
216S85.6Confident84.4Confident40 Ų4065.2 Ų65.228%0.2837%0.366SS..Hα-helixtrans-79.8-38.9175-650000111.3H213 A214 K219 H220H213-S216 WeakPolarHBondContact O-CB 3.38Å; H213-S216 PolarHBondContact O-N 3.37Å; A214-S216 PolarHBondContact O-N 3.02Å; S216-K219 PolarHBondContact O-N 3.3Å; S216-H220 WeakPolarHBondContact O-CB 3.43Å; S216-H220 PolarHBondContact O-N 2.9Å
217L87.3Confident84.1Confident15 Ų1565.2 Ų65.28%0.07936%0.363CS..Hα-helixtrans-61.1-44.3170.7173.260.3000111.5F202 H203 C204 F211 H213 A214 K219 H220 R221F202-L217 HydrophobicContact CB-CB 4.07Å; F202-L217 HydrophobicContact CB-CD2 3.89Å; H203-L217 WeakPolarHBondContact O-CD2 3.35Å; C204-L217 HydrophobicContact CB-CD1 3.7Å; F211-L217 HydrophobicContact CB-CB 4.45Å; F211-L217 HydrophobicContact CD2-CB 3.99Å; F211-L217 HydrophobicContact CD2-CD1 3.98Å; F211-L217 HydrophobicContact CE2-CD1 4.13Å; F211-L217 HydrophobicContact CG-CB 4.38Å; H213-L217 PolarHBondContact O-N 3.2Å; A214-L217 PolarHBondContact O-N 3.02Å; A214-L217 VanDerWaalsContact O-N 3.13Å; L217-K219 PolarHBondContact O-N 2.61Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 WeakPolarHBondContact O-CB 3.42Å; L217-H220 PolarHBondContact O-N 2.94Å; L217-R221 HydrophobicContact CD1-CG 4.23Å; L217-R221 PolarHBondContact O-N 3.41Å
218S85.4Confident83.9Confident79 Ų7969.5 Ų69.555%0.55237%0.372SS*.Hα-helixtrans-62.3-43.1177.5-57.50000112.4A214 H220 R221 A222A214-S218 PolarHBondContact O-N 3.37Å; A214-S218 PolarHBondContact O-OG 2.84Å; S218-H220 PolarHBondContact O-N 3.16Å; S218-R221 PolarHBondContact O-N 3.24Å; S218-A222 PolarHBondContact O-N 3.29Å
219K83.3Confident83.9Confident104 Ų10471.4 Ų71.445%0.45238%0.375SS..Hα-helixtrans-63.7-26.5173.2-69.3160.6-164.3151.20112.8S215 S216 L217S215-K219 WeakPolarHBondContact O-CD 3.38Å; S215-K219 WeakPolarHBondContact O-CE 3.47Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.43Å; S215-K219 PolarHBondContact OG-NZ 3.48Å; S215-K219 VanDerWaalsContact OG-NZ 3.16Å; S216-K219 PolarHBondContact O-N 3.3Å; L217-K219 PolarHBondContact O-N 2.61Å
220H86.1Confident83.9Confident24 Ų2468 Ų6811%0.11136%0.36CS..Hα-helixtrans-79.8-42.5176.217851.6000112.5C207 F211 S216 L217 S218 A222 I223 H224C207-H220 PolarHBondContact SG-NE2 2.98Å; F211-H220 HydrophobicContact CE1-CB 4.12Å; F211-H220 HydrophobicContact CE2-CB 3.95Å; F211-H220 AromaticContact CE2-CD2 3.31Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.26Å; F211-H220 AromaticContact CE2-CG 3.77Å; F211-H220 HydrophobicContact CZ-CB 3.55Å; F211-H220 AromaticContact CZ-CD2 3.3Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.27Å; F211-H220 AromaticContact CZ-CG 3.34Å; F211-H220 AromaticContact CZ-NE2 3.96Å; S216-H220 WeakPolarHBondContact O-CB 3.43Å; S216-H220 PolarHBondContact O-N 2.9Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 WeakPolarHBondContact O-CB 3.42Å; L217-H220 PolarHBondContact O-N 2.94Å; S218-H220 PolarHBondContact O-N 3.16Å; H220-A222 PolarHBondContact O-N 2.91Å; H220-I223 WeakPolarHBondContact O-CA 3.36Å; H220-I223 WeakPolarHBondContact O-CB 3.48Å; H220-I223 WeakPolarHBondContact O-CG1 3.23Å; H220-I223 PolarHBondContact O-N 3.36Å; H220-H224 AromaticContact CE1-NE2 3.63Å; H220-H224 AromaticContact NE2-NE2 3.39Å; H220-H224 PolarHBondContact NE2-NE2 3.46Å
221R85.3Confident84.1Confident95 Ų9575.7 Ų75.736%0.35838%0.383SS..Hα-helixtrans-57.8-32.8176.1-82179.2158163.6-4.1113.2T205 L217 S218 I223 H224 R225T205-R221 PolarHBondContact OG1-NH2 3.1Å; L217-R221 HydrophobicContact CD1-CG 4.23Å; L217-R221 PolarHBondContact O-N 3.41Å; S218-R221 PolarHBondContact O-N 3.24Å; R221-I223 PolarHBondContact O-N 3.41Å; R221-H224 PolarHBondContact O-N 3.18Å; R221-H224 VanDerWaalsContact O-N 3.11Å; R221-R225 PolarHBondContact O-N 2.81Å
222A83.3Confident84.5Confident15 Ų1573.5 Ų73.512%0.12437%0.373CS..Hα-helixtrans-57.2-27.1171.300000113.5S218 H220 G226 E227S218-A222 PolarHBondContact O-N 3.29Å; H220-A222 PolarHBondContact O-N 2.91Å; A222-G226 PolarHBondContact O-N 3.46Å; A222-E227 HydrophobicContact CB-CB 4.2Å; A222-E227 PolarHBondContact O-N 3.34Å
223I81.3Confident84.7Confident99 Ų9978.2 Ų78.251%0.50840%0.401SS..Hα-helixtrans-69.8-44.6175.6-54176.2000110.6H220 R221 R225 G226 T240H220-I223 WeakPolarHBondContact O-CA 3.36Å; H220-I223 WeakPolarHBondContact O-CB 3.48Å; H220-I223 WeakPolarHBondContact O-CG1 3.23Å; H220-I223 PolarHBondContact O-N 3.36Å; R221-I223 PolarHBondContact O-N 3.41Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.42Å; I223-G226 PolarHBondContact O-N 3.15Å; I223-G226 VanDerWaalsContact O-N 3.14Å; I223-T240 HydrophobicContact CG1-CG2 4.29Å
224H81.7Confident85Confident86 Ų8680.3 Ų80.340%0.39841%0.411SS..Hα-helixtrans-64.6-37.7178.9-72.1-69.4000112.5D206 C207 H220 R221 G226D206-H224 HydrophobicContact CB-CB 4.46Å; D206-H224 IonicContact OD2-CD2 3.53Å; D206-H224 PolarHBondContact OD2-CD2 2.97Å; D206-H224 IonicContact OD2-CG 3.45Å; C207-H224 PolarHBondContact SG-NE2 3.24Å; H220-H224 AromaticContact CE1-NE2 3.63Å; H220-H224 AromaticContact NE2-NE2 3.39Å; H220-H224 PolarHBondContact NE2-NE2 3.46Å; R221-H224 PolarHBondContact O-N 3.18Å; R221-H224 VanDerWaalsContact O-N 3.11Å; H224-G226 PolarHBondContact O-N 3.04Å
225R80.9Confident85.4Confident188 Ų18881 Ų8171%0.70941%0.413SS*.THydrogen-bonded Turntrans-76.6-6175.2-63.4-177.3175.6-174.7-5114.5R221 I223 E227R221-R225 PolarHBondContact O-N 2.81Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.42Å; R225-E227 HydrophobicContact CB-CG 3.86Å; R225-E227 WeakPolarHBondContact CD-OE1 3.43Å; R225-E227 IonicContact CZ-OE1 2.67Å; R225-E227 IonicContact NE-OE1 3.99Å; R225-E227 IonicContact NH1-OE1 3.39Å; R225-E227 PolarHBondContact NH1-OE1 3.32Å; R225-E227 PolarHBondContact O-N 3.2Å; R225-E227 VanDerWaalsContact O-N 3.16Å
226G79.6Confident85.4Confident48 Ų4879.4 Ų79.450%0.49541%0.406SS..THydrogen-bonded Turntrans66.57.8-172.500000114.7A222 I223 H224 R228A222-G226 PolarHBondContact O-N 3.46Å; I223-G226 PolarHBondContact O-N 3.15Å; I223-G226 VanDerWaalsContact O-N 3.14Å; H224-G226 PolarHBondContact O-N 3.04Å; G226-R228 WeakPolarHBondContact O-CG 3.33Å; G226-R228 PolarHBondContact O-N 3.27Å; G226-R228 VanDerWaalsContact O-N 3.07Å
227E80.6Confident85.6Confident85 Ų8585.1 Ų85.140%0.39742%0.421SS..  trans-61.8108.2-178.9-75.3177.3-15400110.3A222 R225 P229 T240A222-E227 HydrophobicContact CB-CB 4.2Å; A222-E227 PolarHBondContact O-N 3.34Å; R225-E227 HydrophobicContact CB-CG 3.86Å; R225-E227 WeakPolarHBondContact CD-OE1 3.43Å; R225-E227 IonicContact CZ-OE1 2.67Å; R225-E227 IonicContact NE-OE1 3.99Å; R225-E227 IonicContact NH1-OE1 3.39Å; R225-E227 PolarHBondContact NH1-OE1 3.32Å; R225-E227 PolarHBondContact O-N 3.2Å; R225-E227 VanDerWaalsContact O-N 3.16Å; E227-P229 WeakPolarHBondContact O-CD 3.5Å; E227-T240 WeakPolarHBondContact O-CG2 3.48Å
228R82.9Confident85.6Confident141 Ų14185.6 Ų85.653%0.53243%0.427SS..  trans-125.270.1-179.4-67.516678.4153.33.6110.6G226 H230 A238 F239 T240G226-R228 WeakPolarHBondContact O-CG 3.33Å; G226-R228 PolarHBondContact O-N 3.27Å; G226-R228 VanDerWaalsContact O-N 3.07Å; R228-H230 PolarHBondContact O-N 3Å; R228-H230 VanDerWaalsContact O-N 3.08Å; R228-A238 HydrophobicContact CB-CB 3.55Å; R228-A238 VanDerWaalsContact CZ-O 3.22Å; R228-A238 PolarHBondContact NE-O 2.85Å; R228-A238 PolarHBondContact NH2-O 3.33Å; R228-F239 CarbonylContact C-O 3.22Å; R228-F239 WeakPolarHBondContact CA-O 3.42Å; R228-T240 HydrophobicContact CG-CG2 3.8Å
229P84.4Confident85.7Confident95 Ų9583.7 Ų83.762%0.61741%0.409SS*.  trans-66.9-15.1-167.8-21.134.7000115E227E227-P229 WeakPolarHBondContact O-CD 3.5Å
230H88.6Confident85.9Confident49 Ų4981 Ų8123%0.22740%0.401CS..EExtended strand (participates in β ladder)trans-103.592.8-173-55.2-56.5000110.6R228 A238 F239 R242 L245R228-H230 PolarHBondContact O-N 3Å; R228-H230 VanDerWaalsContact O-N 3.08Å; H230-A238 CarbonylContact O-C 3.53Å; H230-F239 HydrophobicContact CB-CB 4.32Å; H230-F239 PolarHBondContact N-O 3.46Å; H230-F239 VanDerWaalsContact N-O 3.12Å; H230-F239 PolarHBondContact O-N 3.26Å; H230-R242 PolarHBondContact CD2-N 3.02Å; H230-R242 PolarHBondContact NE2-N 3.13Å; H230-L245 HydrophobicContact CB-CB 4.09Å; H230-L245 HydrophobicContact CB-CD2 3.85Å
231R89.7Confident85.9Confident184 Ų18483.7 Ų83.769%0.69441%0.414SS*.EExtended strand (participates in β ladder)trans-88.1135.8179.5-152.3175.1-168.6179.41111.8G236 A238R231-G236 VanDerWaalsContact CG-O 3.25Å; R231-G236 WeakPolarHBondContact CG-O 3.35Å; R231-G236 PolarHBondContact NE-O 2.86Å; R231-A238 HydrophobicContact CG-CB 4.47Å
232C92.8Very high86Confident1 Ų187.7 Ų87.71%0.00743%0.429CS..  trans-73.4126.5167.3178.60000109.3E234 C235 G236 R237 F239 L245C232-E234 VanDerWaalsContact C-N 3.35Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C232-G236 VanDerWaalsContact O-CA 3.22Å; C232-G236 WeakPolarHBondContact O-CA 3.37Å; C232-G236 PolarHBondContact O-N 2.94Å; C232-R237 HydrophobicContact CB-CB 4.48Å; C232-R237 WeakPolarHBondContact CB-O 3.31Å; C232-R237 PolarHBondContact N-O 3.36Å; C232-F239 HydrophobicContact CB-CE2 4.49Å; C232-L245 HydrophobicContact CB-CD1 3.71Å
233P89.3Confident86.3Confident116 Ų11690.2 Ų90.275%0.75345%0.446SS*.THydrogen-bonded Turntrans-68.4-33.9-18026.8-33000112.3
234E89.9Confident86.7Confident118 Ų11887.2 Ų87.255%0.55144%0.436SS*.THydrogen-bonded Turntrans-80.3-36.1-170.9-65.3179.6-111.900114.7C232 H252C232-E234 VanDerWaalsContact C-N 3.35Å; E234-H252 VanDerWaalsContact CB-CE1 3.42Å; E234-H252 WeakPolarHBondContact CB-CE1 3.31Å; E234-H252 WeakPolarHBondContact CB-ND1 3.41Å; E234-H252 WeakPolarHBondContact OE1-CB 3.47Å; E234-H252 IonicContact OE1-CG 3.57Å; E234-H252 IonicContact OE1-ND1 3.58Å; E234-H252 VanDerWaalsContact OE2-CB 3.29Å; E234-H252 WeakPolarHBondContact OE2-CB 3.48Å; E234-H252 IonicContact OE2-CE1 3.71Å; E234-H252 IonicContact OE2-CG 2.74Å; E234-H252 VanDerWaalsContact OE2-CG 3.31Å; E234-H252 IonicContact OE2-ND1 2.74Å; E234-H252 PolarHBondContact OE2-ND1 3.5Å
235C90.6Very high87.2Confident57 Ų5784.2 Ų84.239%0.38542%0.422SS..THydrogen-bonded Turntrans-123.511.1179.666.40000114.1C232 R237 H248 H252C232-C235 VanDerWaalsContact SG-SG 3.63Å; C235-R237 PolarHBondContact O-N 2.9Å; C235-H248 PolarHBondContact SG-NE2 3.49Å; C235-H252 PolarHBondContact SG-NE2 3.26Å; C235-H252 VanDerWaalsContact SG-NE2 3.38Å
236G85.8Confident87.7Confident28 Ų2878.8 Ų78.829%0.28941%0.411SS..  trans64.7-1.9177.400000116R231 C232 A238R231-G236 VanDerWaalsContact CG-O 3.25Å; R231-G236 WeakPolarHBondContact CG-O 3.35Å; R231-G236 PolarHBondContact NE-O 2.86Å; C232-G236 VanDerWaalsContact O-CA 3.22Å; C232-G236 WeakPolarHBondContact O-CA 3.37Å; C232-G236 PolarHBondContact O-N 2.94Å; G236-A238 PolarHBondContact O-N 3.3Å
237R88.1Confident88.2Confident161 Ų16178.5 Ų78.561%0.60840%0.401SS*.  trans-65.8128.5-177.5-75.2-177.8169.6-177.5-2.7111.4C232 C235 F239C232-R237 HydrophobicContact CB-CB 4.48Å; C232-R237 WeakPolarHBondContact CB-O 3.31Å; C232-R237 PolarHBondContact N-O 3.36Å; C235-R237 PolarHBondContact O-N 2.9Å; R237-F239 HydrophobicContact CB-CE2 3.89Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.32Å; R237-F239 WeakPolarHBondContact O-CE2 3.5Å
238A89.2Confident88.8Confident24 Ų2475.3 Ų75.320%0.19839%0.386CS..EExtended strand (participates in β ladder)trans-98.4149.4-178.200000112.6R228 H230 R231 G236R228-A238 HydrophobicContact CB-CB 3.55Å; R228-A238 VanDerWaalsContact CZ-O 3.22Å; R228-A238 PolarHBondContact NE-O 2.85Å; R228-A238 PolarHBondContact NH2-O 3.33Å; H230-A238 CarbonylContact O-C 3.53Å; R231-A238 HydrophobicContact CG-CB 4.47Å; G236-A238 PolarHBondContact O-N 3.3Å
239F87.3Confident89.2Confident40 Ų4071 Ų7118%0.17537%0.373CS..EExtended strand (participates in β ladder)trans-133.4145-177.9-63.1-93.2000111.6R228 H230 C232 R237 Q241 A244 L245 H248R228-F239 CarbonylContact C-O 3.22Å; R228-F239 WeakPolarHBondContact CA-O 3.42Å; H230-F239 HydrophobicContact CB-CB 4.32Å; H230-F239 PolarHBondContact N-O 3.46Å; H230-F239 VanDerWaalsContact N-O 3.12Å; H230-F239 PolarHBondContact O-N 3.26Å; C232-F239 HydrophobicContact CB-CE2 4.49Å; R237-F239 HydrophobicContact CB-CE2 3.89Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.32Å; R237-F239 WeakPolarHBondContact O-CE2 3.5Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.39Å; F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.85Å; F239-A244 HydrophobicContact CG-CB 4.39Å; F239-L245 HydrophobicContact CB-CB 4.32Å; F239-L245 HydrophobicContact CD2-CB 4.04Å; F239-L245 HydrophobicContact CD2-CD1 4.01Å; F239-L245 HydrophobicContact CE2-CD1 4.2Å; F239-L245 HydrophobicContact CG-CB 4.28Å; F239-H248 HydrophobicContact CE1-CB 4.1Å; F239-H248 HydrophobicContact CE2-CB 4.19Å; F239-H248 AromaticContact CE2-CD2 3.19Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.28Å; F239-H248 AromaticContact CE2-CG 3.87Å; F239-H248 AromaticContact CE2-NE2 3.95Å; F239-H248 HydrophobicContact CZ-CB 3.66Å; F239-H248 AromaticContact CZ-CD2 3.22Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.44Å; F239-H248 AromaticContact CZ-CG 3.43Å; F239-H248 VanDerWaalsContact CZ-CG 3.43Å; F239-H248 AromaticContact CZ-NE2 3.95Å
240T86.5Confident89.6Confident47 Ų4768.9 Ų68.929%0.28835%0.353SS..SBendtrans-75-15.117657.50000113.1I223 E227 R228I223-T240 HydrophobicContact CG1-CG2 4.29Å; E227-T240 WeakPolarHBondContact O-CG2 3.48Å; R228-T240 HydrophobicContact CG-CG2 3.8Å
241Q85.9Confident89.7Confident80 Ų8071.6 Ų71.637%0.37437%0.373SS..SBendtrans-139.3137.4-178.2-59.4-176.416.700111.7F239 S243 A244 L245F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.39Å; Q241-S243 VanDerWaalsContact C-N 3.29Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact OE1-OG 3.4Å; Q241-A244 HydrophobicContact CB-CB 4.4Å; Q241-A244 WeakPolarHBondContact O-CB 3.44Å; Q241-A244 PolarHBondContact O-N 3.47Å; Q241-A244 VanDerWaalsContact O-N 3.1Å; Q241-L245 PolarHBondContact O-N 3.09Å
242R88.3Confident89.8Confident179 Ų17966 Ų6668%0.67535%0.354SS*.Hα-helixtrans-58.9-39178.8-171.9-178.4-69.8173.1-2.6112.2H230 A244 L245 T246H230-R242 PolarHBondContact CD2-N 3.02Å; H230-R242 PolarHBondContact NE2-N 3.13Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.5Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.06Å; R242-T246 PolarHBondContact O-N 3.14Å; R242-T246 PolarHBondContact O-OG1 2.59Å; R242-T246 VanDerWaalsContact O-OG1 3.11Å
243S88.7Confident89.7Confident68 Ų6870 Ų7048%0.47638%0.378SS..Hα-helixtrans-58-37.2175.149.10000113.4Q241 S247Q241-S243 VanDerWaalsContact C-N 3.29Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact OE1-OG 3.4Å; S243-S247 WeakPolarHBondContact O-CB 3.25Å; S243-S247 PolarHBondContact O-N 3.09Å; S243-S247 PolarHBondContact O-OG 3.03Å
244A89.3Confident89.7Confident37 Ų3766.4 Ų66.431%0.30636%0.363SS..Hα-helixtrans-71.7-39.8176.600000111.4F239 Q241 R242 S247 H248F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.85Å; F239-A244 HydrophobicContact CG-CB 4.39Å; Q241-A244 HydrophobicContact CB-CB 4.4Å; Q241-A244 WeakPolarHBondContact O-CB 3.44Å; Q241-A244 PolarHBondContact O-N 3.47Å; Q241-A244 VanDerWaalsContact O-N 3.1Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.5Å; A244-S247 PolarHBondContact O-N 3.33Å; A244-H248 WeakPolarHBondContact O-CB 3.32Å; A244-H248 PolarHBondContact O-N 3.22Å
245L92.3Very high89.8Confident22 Ų2265.6 Ų65.612%0.11536%0.359CS..Hα-helixtrans-61-51.6171.2173.259.3000111.3H230 C232 F239 Q241 R242 S247 H248 L249H230-L245 HydrophobicContact CB-CB 4.09Å; H230-L245 HydrophobicContact CB-CD2 3.85Å; C232-L245 HydrophobicContact CB-CD1 3.71Å; F239-L245 HydrophobicContact CB-CB 4.32Å; F239-L245 HydrophobicContact CD2-CB 4.04Å; F239-L245 HydrophobicContact CD2-CD1 4.01Å; F239-L245 HydrophobicContact CE2-CD1 4.2Å; F239-L245 HydrophobicContact CG-CB 4.28Å; Q241-L245 PolarHBondContact O-N 3.09Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.06Å; L245-S247 VanDerWaalsContact C-N 3.25Å; L245-S247 PolarHBondContact O-N 3.33Å; L245-H248 CarbonylContact O-C 3.17Å; L245-H248 WeakPolarHBondContact O-CA 3.17Å; L245-H248 WeakPolarHBondContact O-CB 3.34Å; L245-H248 PolarHBondContact O-N 2.77Å; L245-L249 HydrophobicContact CD1-CD2 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.12Å; L245-L249 HydrophobicContact CG-CD1 4.44Å; L245-L249 HydrophobicContact CG-CG 4.49Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 2.83Å
246T91.2Very high89.9Confident75 Ų7568.5 Ų68.546%0.4637%0.365SS..Hα-helixtrans-57.6-38.5178.1-54.40000112.1R242 H248R242-T246 PolarHBondContact O-N 3.14Å; R242-T246 PolarHBondContact O-OG1 2.59Å; R242-T246 VanDerWaalsContact O-OG1 3.11Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 2.85Å
247S91.1Very high90.1Very high41 Ų4169.7 Ų69.729%0.28737%0.368SS..Hα-helixtrans-70.9-26.5175.7-57.20000113.1S243 A244 L245S243-S247 WeakPolarHBondContact O-CB 3.25Å; S243-S247 PolarHBondContact O-N 3.09Å; S243-S247 PolarHBondContact O-OG 3.03Å; A244-S247 PolarHBondContact O-N 3.33Å; L245-S247 VanDerWaalsContact C-N 3.25Å; L245-S247 PolarHBondContact O-N 3.33Å
248H92.3Very high90.4Very high19 Ų1965.6 Ų65.69%0.08835%0.353CS..Hα-helixtrans-80.9-34.7176.6164.947.3000113C235 F239 A244 L245 T246 R250 V251 H252C235-H248 PolarHBondContact SG-NE2 3.49Å; F239-H248 HydrophobicContact CE1-CB 4.1Å; F239-H248 HydrophobicContact CE2-CB 4.19Å; F239-H248 AromaticContact CE2-CD2 3.19Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.28Å; F239-H248 AromaticContact CE2-CG 3.87Å; F239-H248 AromaticContact CE2-NE2 3.95Å; F239-H248 HydrophobicContact CZ-CB 3.66Å; F239-H248 AromaticContact CZ-CD2 3.22Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.44Å; F239-H248 AromaticContact CZ-CG 3.43Å; F239-H248 VanDerWaalsContact CZ-CG 3.43Å; F239-H248 AromaticContact CZ-NE2 3.95Å; A244-H248 WeakPolarHBondContact O-CB 3.32Å; A244-H248 PolarHBondContact O-N 3.22Å; L245-H248 CarbonylContact O-C 3.17Å; L245-H248 WeakPolarHBondContact O-CA 3.17Å; L245-H248 WeakPolarHBondContact O-CB 3.34Å; L245-H248 PolarHBondContact O-N 2.77Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 2.85Å; H248-R250 PolarHBondContact O-N 2.86Å; H248-R250 VanDerWaalsContact O-N 3.11Å; H248-V251 WeakPolarHBondContact O-CB 3.36Å; H248-V251 VanDerWaalsContact O-CG2 3.31Å; H248-V251 WeakPolarHBondContact O-CG2 3.43Å; H248-V251 PolarHBondContact O-N 3.09Å; H248-H252 AromaticContact CE1-CD2 3.77Å; H248-H252 AromaticContact CE1-NE2 3.47Å; H248-H252 PolarHBondContact CE1-NE2 3.12Å; H248-H252 AromaticContact NE2-NE2 3.71Å
249L92.1Very high90.6Very high51 Ų5166.5 Ų66.527%0.26736%0.364SS..Hα-helixtrans-57.4-26.9176.2-67.8173.4000112.4L245 V251 H252 T253L245-L249 HydrophobicContact CD1-CD2 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.12Å; L245-L249 HydrophobicContact CG-CD1 4.44Å; L245-L249 HydrophobicContact CG-CG 4.49Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 2.83Å; L249-V251 PolarHBondContact O-N 2.94Å; L249-V251 VanDerWaalsContact O-N 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.44Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 2.97Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.84Å
250R92.6Very high91Very high50 Ų5064.8 Ų64.819%0.18936%0.357CS..THydrogen-bonded Turntrans-63.1-15.5171.5-60.3-176179.2151.55.1115H248 H252 G254 E255 Y258 S268H248-R250 PolarHBondContact O-N 2.86Å; H248-R250 VanDerWaalsContact O-N 3.11Å; R250-H252 VanDerWaalsContact C-N 3.32Å; R250-G254 CarbonylContact O-C 3.54Å; R250-G254 WeakPolarHBondContact O-CA 3.49Å; R250-G254 PolarHBondContact O-N 2.75Å; R250-E255 HydrophobicContact CB-CB 4.15Å; R250-E255 HydrophobicContact CG-CB 3.98Å; R250-E255 IonicContact NE-OE2 3.71Å; R250-E255 PolarHBondContact O-N 3.36Å; R250-Y258 PolarHBondContact NH1-OH 3Å; R250-S268 WeakPolarHBondContact CD-O 3.46Å; R250-S268 PolarHBondContact NH1-O 3.42Å
251V91.5Very high91.2Very high106 Ų10667.3 Ų67.364%0.64238%0.383SS*.THydrogen-bonded Turntrans-72.7-31.3170.4-1790000110.6H248 L249H248-V251 WeakPolarHBondContact O-CB 3.36Å; H248-V251 VanDerWaalsContact O-CG2 3.31Å; H248-V251 WeakPolarHBondContact O-CG2 3.43Å; H248-V251 PolarHBondContact O-N 3.09Å; L249-V251 PolarHBondContact O-N 2.94Å; L249-V251 VanDerWaalsContact O-N 3.16Å
252H90.9Very high91.4Very high66 Ų6668 Ų6831%0.30639%0.39SS..THydrogen-bonded Turntrans-85.8-52.5-179.6-70.9-100.5000111.6E234 C235 H248 L249 R250 G254E234-H252 VanDerWaalsContact CB-CE1 3.42Å; E234-H252 WeakPolarHBondContact CB-CE1 3.31Å; E234-H252 WeakPolarHBondContact CB-ND1 3.41Å; E234-H252 WeakPolarHBondContact OE1-CB 3.47Å; E234-H252 IonicContact OE1-CG 3.57Å; E234-H252 IonicContact OE1-ND1 3.58Å; E234-H252 VanDerWaalsContact OE2-CB 3.29Å; E234-H252 WeakPolarHBondContact OE2-CB 3.48Å; E234-H252 IonicContact OE2-CE1 3.71Å; E234-H252 IonicContact OE2-CG 2.74Å; E234-H252 VanDerWaalsContact OE2-CG 3.31Å; E234-H252 IonicContact OE2-ND1 2.74Å; E234-H252 PolarHBondContact OE2-ND1 3.5Å; C235-H252 PolarHBondContact SG-NE2 3.26Å; C235-H252 VanDerWaalsContact SG-NE2 3.38Å; H248-H252 AromaticContact CE1-CD2 3.77Å; H248-H252 AromaticContact CE1-NE2 3.47Å; H248-H252 PolarHBondContact CE1-NE2 3.12Å; H248-H252 AromaticContact NE2-NE2 3.71Å; L249-H252 WeakPolarHBondContact O-CA 3.44Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 2.97Å; R250-H252 VanDerWaalsContact C-N 3.32Å; H252-G254 PolarHBondContact O-N 3.42Å
253T90.4Very high91.6Very high84 Ų8462 Ų6252%0.51537%0.374SS..SBendtrans-70.9-9.4177.564.30000113.8L249 E255L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.84Å; T253-E255 PolarHBondContact O-N 2.92Å; T253-E255 VanDerWaalsContact O-N 3.15Å; T253-E255 WeakPolarHBondContact OG1-CB 3.3Å; T253-E255 WeakPolarHBondContact OG1-CG 3.4Å
254G89.8Confident91.7Very high42 Ų4261.4 Ų61.443%0.43338%0.379SS..  trans69.42.6-175.900000114.7R250 H252 K256R250-G254 CarbonylContact O-C 3.54Å; R250-G254 WeakPolarHBondContact O-CA 3.49Å; R250-G254 PolarHBondContact O-N 2.75Å; H252-G254 PolarHBondContact O-N 3.42Å; G254-K256 PolarHBondContact O-N 3.18Å
255E91.3Very high91.8Very high101 Ų10167.4 Ų67.447%0.47239%0.393SS..  trans-54.5128.1-174.9-88.8179.4-15500113.4R250 T253 S268R250-E255 HydrophobicContact CB-CB 4.15Å; R250-E255 HydrophobicContact CG-CB 3.98Å; R250-E255 IonicContact NE-OE2 3.71Å; R250-E255 PolarHBondContact O-N 3.36Å; T253-E255 PolarHBondContact O-N 2.92Å; T253-E255 VanDerWaalsContact O-N 3.15Å; T253-E255 WeakPolarHBondContact OG1-CB 3.3Å; T253-E255 WeakPolarHBondContact OG1-CG 3.4Å; E255-S268 VanDerWaalsContact O-CB 3.28Å; E255-S268 WeakPolarHBondContact O-CB 3.41Å
256K92.7Very high91.9Very high117 Ų11773.8 Ų73.851%0.50942%0.416SS..  trans-128.278.2176.5-69.9158.6-172.91700110.4G254 Y258 R266 F267G254-K256 PolarHBondContact O-N 3.18Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.26Å; K256-R266 HydrophobicContact CB-CB 3.59Å; K256-R266 PolarHBondContact O-NE 2.75Å; K256-R266 PolarHBondContact O-NH2 3.2Å; K256-F267 CarbonylContact C-O 3.04Å; K256-F267 VanDerWaalsContact CA-O 3.23Å; K256-F267 WeakPolarHBondContact CA-O 3.5Å
257P91.6Very high91.9Very high53 Ų5372.4 Ų72.434%0.34440%0.404SS..  trans-63.9-32.8-174.9-23.435.4000113.5F267P257-F267 WeakPolarHBondContact CD-O 3.47Å
258Y94.2Very high91.9Very high76 Ų7672.2 Ų72.230%0.29840%0.402SS..EExtended strand (participates in β ladder)trans-96.5106.2-167.6-48.8-77.8000111R250 K256 R266 F267 S268 S270R250-Y258 PolarHBondContact NH1-OH 3Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.26Å; Y258-R266 CarbonylContact O-C 3.59Å; Y258-R266 WeakPolarHBondContact O-CA 3.41Å; Y258-F267 WeakPolarHBondContact CD2-O 3.43Å; Y258-F267 PolarHBondContact N-O 2.86Å; Y258-F267 VanDerWaalsContact N-O 3.1Å; Y258-F267 PolarHBondContact O-N 3.47Å; Y258-S268 WeakPolarHBondContact CE2-O 3.32Å; Y258-S270 VanDerWaalsContact CD2-N 3.31Å
259G93.1Very high91.9Very high42 Ų4275.4 Ų75.443%0.43342%0.417SS..EExtended strand (participates in β ladder)trans-91.2142.9176.400000113.5L273G259-L273 VanDerWaalsContact O-CD2 3.27Å; G259-L273 WeakPolarHBondContact O-CD2 3.22Å
260C94.4Very high91.8Very high4 Ų476.3 Ų76.33%0.02743%0.428CS..  trans-82.7121.7166-162.80000109D262 G264 R265 F267 L273 H280C260-D262 VanDerWaalsContact C-N 3.29Å; C260-D262 PolarHBondContact O-N 2.86Å; C260-D262 PolarHBondContact SG-OD2 3.38Å; C260-G264 VanDerWaalsContact O-CA 3.26Å; C260-G264 WeakPolarHBondContact O-CA 3.4Å; C260-G264 PolarHBondContact O-N 3.5Å; C260-R265 HydrophobicContact CB-CB 4.46Å; C260-R265 WeakPolarHBondContact CB-O 3.48Å; C260-R265 PolarHBondContact N-O 3.11Å; C260-F267 HydrophobicContact CB-CE2 4.48Å; C260-L273 HydrophobicContact CB-CD1 3.67Å; C260-H280 PolarHBondContact SG-NE2 3.43Å
261A91.9Very high91.7Very high100 Ų10076.5 Ų76.583%0.82644%0.437SS*.THydrogen-bonded Turntrans-62.7-40.6176.800000111.4C263A261-C263 VanDerWaalsContact C-N 3.29Å; A261-C263 PolarHBondContact O-N 3.45Å
262D90.2Very high91.6Very high96 Ų9672.9 Ų72.951%0.51342%0.418SS..THydrogen-bonded Turntrans-70.5-20.2-169.5-29.6-75.9000113.9C260 H280C260-D262 VanDerWaalsContact C-N 3.29Å; C260-D262 PolarHBondContact O-N 2.86Å; C260-D262 PolarHBondContact SG-OD2 3.38Å; D262-H280 IonicContact OD2-CD2 3.69Å; D262-H280 PolarHBondContact OD2-CD2 3.07Å; D262-H280 IonicContact OD2-NE2 3.98Å
263C92.1Very high91.7Very high53 Ų5371.1 Ų71.136%0.35841%0.411SS..THydrogen-bonded Turntrans-151.311.1-176.672.70000115.4A261 R265 H276 H280A261-C263 VanDerWaalsContact C-N 3.29Å; A261-C263 PolarHBondContact O-N 3.45Å; C263-R265 PolarHBondContact O-N 3.48Å; C263-H276 PolarHBondContact SG-NE2 3.32Å; C263-H280 WeakPolarHBondContact CB-CE1 3.43Å; C263-H280 PolarHBondContact SG-CE1 3.27Å; C263-H280 PolarHBondContact SG-NE2 3.19Å
264G90.2Very high91.7Very high55 Ų5573.5 Ų73.557%0.56741%0.411SS*.  trans66.9-7.8179.300000116.7C260 R266C260-G264 VanDerWaalsContact O-CA 3.26Å; C260-G264 WeakPolarHBondContact O-CA 3.4Å; C260-G264 PolarHBondContact O-N 3.5Å; G264-R266 WeakPolarHBondContact O-CG 3.2Å; G264-R266 PolarHBondContact O-N 3.01Å
265R92.3Very high91.6Very high162 Ų16275.8 Ų75.861%0.61141%0.41SS*.  trans-60.7132.6-178.1-76.3-176.3167.8-173.9-1.4111.7C260 C263 F267C260-R265 HydrophobicContact CB-CB 4.46Å; C260-R265 WeakPolarHBondContact CB-O 3.48Å; C260-R265 PolarHBondContact N-O 3.11Å; C263-R265 PolarHBondContact O-N 3.48Å; R265-F267 HydrophobicContact CB-CE2 3.84Å; R265-F267 HydrophobicContact CB-CZ 4.07Å; R265-F267 WeakPolarHBondContact O-CE2 3.45Å
266R93.1Very high91.6Very high157 Ų15771.5 Ų71.559%0.59239%0.391SS*.EExtended strand (participates in β ladder)trans-110.9141.6-176.9-54.2-175.663.7145.42.9112.6K256 Y258 G264K256-R266 HydrophobicContact CB-CB 3.59Å; K256-R266 PolarHBondContact O-NE 2.75Å; K256-R266 PolarHBondContact O-NH2 3.2Å; Y258-R266 CarbonylContact O-C 3.59Å; Y258-R266 WeakPolarHBondContact O-CA 3.41Å; G264-R266 WeakPolarHBondContact O-CG 3.2Å; G264-R266 PolarHBondContact O-N 3.01Å
267F91.9Very high91.4Very high45 Ų4572.3 Ų72.320%0.19739%0.391CS..EExtended strand (participates in β ladder)trans-126.5148.9-174.7-58.9-92.3000111.4K256 P257 Y258 C260 R265 Q269 A272 L273 H276K256-F267 CarbonylContact C-O 3.04Å; K256-F267 VanDerWaalsContact CA-O 3.23Å; K256-F267 WeakPolarHBondContact CA-O 3.5Å; P257-F267 WeakPolarHBondContact CD-O 3.47Å; Y258-F267 WeakPolarHBondContact CD2-O 3.43Å; Y258-F267 PolarHBondContact N-O 2.86Å; Y258-F267 VanDerWaalsContact N-O 3.1Å; Y258-F267 PolarHBondContact O-N 3.47Å; C260-F267 HydrophobicContact CB-CE2 4.48Å; R265-F267 HydrophobicContact CB-CE2 3.84Å; R265-F267 HydrophobicContact CB-CZ 4.07Å; R265-F267 WeakPolarHBondContact O-CE2 3.45Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-A272 HydrophobicContact CB-CB 4.3Å; F267-A272 HydrophobicContact CD1-CB 3.92Å; F267-A272 HydrophobicContact CG-CB 4.39Å; F267-L273 HydrophobicContact CB-CB 4.39Å; F267-L273 HydrophobicContact CD2-CB 3.98Å; F267-L273 HydrophobicContact CD2-CD1 3.97Å; F267-L273 HydrophobicContact CE2-CD1 4.12Å; F267-L273 HydrophobicContact CG-CB 4.31Å; F267-H276 HydrophobicContact CE1-CB 4.07Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.38Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.35Å; F267-H276 AromaticContact CE2-CG 3.92Å; F267-H276 HydrophobicContact CZ-CB 3.59Å; F267-H276 AromaticContact CZ-CD2 3.26Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.24Å; F267-H276 AromaticContact CZ-CG 3.42Å; F267-H276 VanDerWaalsContact CZ-CG 3.42Å
268S91.9Very high91.2Very high37 Ų3771.4 Ų71.426%0.25938%0.38SS..SBendtrans-81-13176.754.20000113.7R250 E255 Y258R250-S268 WeakPolarHBondContact CD-O 3.46Å; R250-S268 PolarHBondContact NH1-O 3.42Å; E255-S268 VanDerWaalsContact O-CB 3.28Å; E255-S268 WeakPolarHBondContact O-CB 3.41Å; Y258-S268 WeakPolarHBondContact CE2-O 3.32Å
269Q90.9Very high90.9Very high87 Ų8772.2 Ų72.241%0.40739%0.393SS..SBendtrans-133.8141.8178.6-58.7-176.58.100111.1F267 S271 A272 L273F267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-S271 PolarHBondContact OE1-OG 3.19Å; Q269-A272 HydrophobicContact CB-CB 4.39Å; Q269-A272 PolarHBondContact O-N 3.39Å; Q269-L273 PolarHBondContact O-N 2.8Å
270S91.4Very high90.6Very high69 Ų6974.7 Ų74.748%0.48339%0.393SS..Hα-helixtrans-68.7-33178.549.60000112.8Y258 A272 L273 Y274Y258-S270 VanDerWaalsContact CD2-N 3.31Å; S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.16Å; S270-L273 PolarHBondContact O-N 3.48Å; S270-Y274 PolarHBondContact O-N 3.09Å
271S89.3Confident90.2Very high54 Ų5477.6 Ų77.638%0.37841%0.413SS..Hα-helixtrans-56.2-44.7171.648.70000112.2Q269 Y274 Q275Q269-S271 PolarHBondContact OE1-OG 3.19Å; S271-Y274 PolarHBondContact O-N 2.95Å; S271-Q275 WeakPolarHBondContact O-CB 3.34Å; S271-Q275 VanDerWaalsContact O-CG 3.31Å; S271-Q275 WeakPolarHBondContact O-CG 3.19Å; S271-Q275 PolarHBondContact O-N 3.29Å
272A90.3Very high89.8Confident30 Ų3075.2 Ų75.225%0.24840%0.398CS..Hα-helixtrans-68.1-36.3178.100000112.3F267 Q269 S270 H276F267-A272 HydrophobicContact CB-CB 4.3Å; F267-A272 HydrophobicContact CD1-CB 3.92Å; F267-A272 HydrophobicContact CG-CB 4.39Å; Q269-A272 HydrophobicContact CB-CB 4.39Å; Q269-A272 PolarHBondContact O-N 3.39Å; S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.16Å; A272-H276 VanDerWaalsContact O-CB 3.3Å; A272-H276 WeakPolarHBondContact O-CB 3.45Å; A272-H276 PolarHBondContact O-N 3.31Å
273L92.4Very high89.7Confident29 Ų2975 Ų7515%0.15239%0.394CS..Hα-helixtrans-65.1-48.4171.2171.860.9000111.6G259 C260 F267 Q269 S270 Q275 H276 R277G259-L273 VanDerWaalsContact O-CD2 3.27Å; G259-L273 WeakPolarHBondContact O-CD2 3.22Å; C260-L273 HydrophobicContact CB-CD1 3.67Å; F267-L273 HydrophobicContact CB-CB 4.39Å; F267-L273 HydrophobicContact CD2-CB 3.98Å; F267-L273 HydrophobicContact CD2-CD1 3.97Å; F267-L273 HydrophobicContact CE2-CD1 4.12Å; F267-L273 HydrophobicContact CG-CB 4.31Å; Q269-L273 PolarHBondContact O-N 2.8Å; S270-L273 PolarHBondContact O-N 3.48Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.37Å; L273-H276 WeakPolarHBondContact O-CB 3.5Å; L273-H276 PolarHBondContact O-N 3.38Å; L273-H276 VanDerWaalsContact O-N 3.09Å; L273-R277 HydrophobicContact CD1-CG 4.46Å; L273-R277 PolarHBondContact O-N 2.99Å
274Y89.9Confident89.5Confident134 Ų13475.8 Ų75.853%0.52540%0.397SS..Hα-helixtrans-59.1-42.6178.7173.3-97.5000111.7S270 S271 R277 R278S270-Y274 PolarHBondContact O-N 3.09Å; S271-Y274 PolarHBondContact O-N 2.95Å; Y274-R277 PolarHBondContact O-N 3.21Å; Y274-R278 PolarHBondContact OH-NH2 3.11Å
275Q88.6Confident89.5Confident90 Ų9076 Ų7642%0.42139%0.389SS..Hα-helixtrans-64-41.3172.3-74.9174.36.300112.5S271 L273 R277 R278 Y297S271-Q275 WeakPolarHBondContact O-CB 3.34Å; S271-Q275 VanDerWaalsContact O-CG 3.31Å; S271-Q275 WeakPolarHBondContact O-CG 3.19Å; S271-Q275 PolarHBondContact O-N 3.29Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.37Å; Q275-R277 VanDerWaalsContact C-N 3.31Å; Q275-R277 PolarHBondContact O-N 2.9Å; Q275-R278 VanDerWaalsContact O-CB 3.29Å; Q275-R278 WeakPolarHBondContact O-CB 3.45Å; Q275-R278 WeakPolarHBondContact O-CG 3.21Å; Q275-R278 PolarHBondContact O-N 3.37Å; Q275-Y297 HydrophobicContact CB-CE1 3.95Å; Q275-Y297 HydrophobicContact CG-CE1 4.33Å; Q275-Y297 PolarHBondContact O-OH 3.13Å
276H90.3Very high89.5Confident12 Ų1271.6 Ų71.66%0.05638%0.375CS..Hα-helixtrans-61.4-36.3177.9175.638.4000112.9C263 F267 A272 L273 R278 V279 H280C263-H276 PolarHBondContact SG-NE2 3.32Å; F267-H276 HydrophobicContact CE1-CB 4.07Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.38Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.35Å; F267-H276 AromaticContact CE2-CG 3.92Å; F267-H276 HydrophobicContact CZ-CB 3.59Å; F267-H276 AromaticContact CZ-CD2 3.26Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.24Å; F267-H276 AromaticContact CZ-CG 3.42Å; F267-H276 VanDerWaalsContact CZ-CG 3.42Å; A272-H276 VanDerWaalsContact O-CB 3.3Å; A272-H276 WeakPolarHBondContact O-CB 3.45Å; A272-H276 PolarHBondContact O-N 3.31Å; L273-H276 WeakPolarHBondContact O-CB 3.5Å; L273-H276 PolarHBondContact O-N 3.38Å; L273-H276 VanDerWaalsContact O-N 3.09Å; H276-R278 PolarHBondContact O-N 2.97Å; H276-V279 VanDerWaalsContact O-CB 3.25Å; H276-V279 WeakPolarHBondContact O-CB 3.34Å; H276-V279 WeakPolarHBondContact O-CG2 3.48Å; H276-V279 PolarHBondContact O-N 2.88Å; H276-H280 AromaticContact CD2-NE2 3.58Å; H276-H280 AromaticContact CE1-NE2 3.45Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact NE2-NE2 2.86Å; H276-H280 PolarHBondContact NE2-NE2 3.06Å
277R89.1Confident89.5Confident134 Ų13467.8 Ų67.851%0.50637%0.37SS..Hα-helixtrans-57.2-23.6178.9-71.3-179.670-130.4-1113.7L273 Y274 Q275 V279 H280 S281L273-R277 HydrophobicContact CD1-CG 4.46Å; L273-R277 PolarHBondContact O-N 2.99Å; Y274-R277 PolarHBondContact O-N 3.21Å; Q275-R277 VanDerWaalsContact C-N 3.31Å; Q275-R277 PolarHBondContact O-N 2.9Å; R277-V279 PolarHBondContact O-N 3.25Å; R277-H280 PolarHBondContact O-N 2.98Å; R277-S281 PolarHBondContact O-N 3.04Å; R277-S281 PolarHBondContact O-OG 3.28Å
278R88.4Confident89.6Confident34 Ų3465.8 Ų65.813%0.12836%0.361CS..Hα-helixtrans-59.4-24.9172.1-58-173.2165.3-67.5-15.7113.6Y274 Q275 H276 H280 G282 E283 A296Y274-R278 PolarHBondContact OH-NH2 3.11Å; Q275-R278 VanDerWaalsContact O-CB 3.29Å; Q275-R278 WeakPolarHBondContact O-CB 3.45Å; Q275-R278 WeakPolarHBondContact O-CG 3.21Å; Q275-R278 PolarHBondContact O-N 3.37Å; H276-R278 PolarHBondContact O-N 2.97Å; R278-H280 VanDerWaalsContact C-N 3.27Å; R278-G282 WeakPolarHBondContact O-CA 3.44Å; R278-G282 PolarHBondContact O-N 3.47Å; R278-E283 IonicContact CZ-OE2 3.57Å; R278-E283 VanDerWaalsContact NH1-CB 3.27Å; R278-E283 IonicContact NH1-OE2 3.29Å; R278-E283 PolarHBondContact NH1-OE2 2.98Å; R278-E283 IonicContact NH2-OE2 2.67Å; R278-E283 PolarHBondContact NH2-OE2 3.18Å; R278-E283 PolarHBondContact O-N 3.42Å; R278-A296 HydrophobicContact CB-CB 4.44Å
279V86.4Confident89.6Confident92 Ų9269.3 Ų69.356%0.55838%0.384SS*.Hα-helixtrans-69.8-26.9174.5-177.50000111.5H276 R277H276-V279 VanDerWaalsContact O-CB 3.25Å; H276-V279 WeakPolarHBondContact O-CB 3.34Å; H276-V279 WeakPolarHBondContact O-CG2 3.48Å; H276-V279 PolarHBondContact O-N 2.88Å; R277-V279 PolarHBondContact O-N 3.25Å
280H87.2Confident89.6Confident95 Ų9569.7 Ų69.744%0.4439%0.389SS..Hα-helixtrans-94-36.5179.2-55.8-51.4000112.5C260 D262 C263 H276 R277 R278 G282C260-H280 PolarHBondContact SG-NE2 3.43Å; D262-H280 IonicContact OD2-CD2 3.69Å; D262-H280 PolarHBondContact OD2-CD2 3.07Å; D262-H280 IonicContact OD2-NE2 3.98Å; C263-H280 WeakPolarHBondContact CB-CE1 3.43Å; C263-H280 PolarHBondContact SG-CE1 3.27Å; C263-H280 PolarHBondContact SG-NE2 3.19Å; H276-H280 AromaticContact CD2-NE2 3.58Å; H276-H280 AromaticContact CE1-NE2 3.45Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact NE2-NE2 2.86Å; H276-H280 PolarHBondContact NE2-NE2 3.06Å; R277-H280 PolarHBondContact O-N 2.98Å; R278-H280 VanDerWaalsContact C-N 3.27Å; H280-G282 VanDerWaalsContact C-N 3.34Å
281S85.8Confident89.7Confident65 Ų6569.5 Ų69.546%0.45539%0.386SS..Hα-helixtrans-80.1-11.7175.359.50000114.2R277 E283R277-S281 PolarHBondContact O-N 3.04Å; R277-S281 PolarHBondContact O-OG 3.28Å; S281-E283 WeakPolarHBondContact CB-OE1 3.21Å; S281-E283 PolarHBondContact O-N 3.28Å; S281-E283 WeakPolarHBondContact OG-CG 3.33Å; S281-E283 PolarHBondContact OG-OE1 3.08Å
282G84.8Confident89.7Confident50 Ų5069.6 Ų69.652%0.51540%0.396SS..  trans69.73.1-174.900000114.4R278 H280 T284R278-G282 WeakPolarHBondContact O-CA 3.44Å; R278-G282 PolarHBondContact O-N 3.47Å; H280-G282 VanDerWaalsContact C-N 3.34Å; G282-T284 PolarHBondContact O-N 3.19Å
283E86.4Confident89.8Confident91 Ų9175.7 Ų75.743%0.42541%0.413SS..  trans-58.2119.4-177.5-76.7169.2-105.100111.9R278 S281 P285R278-E283 IonicContact CZ-OE2 3.57Å; R278-E283 VanDerWaalsContact NH1-CB 3.27Å; R278-E283 IonicContact NH1-OE2 3.29Å; R278-E283 PolarHBondContact NH1-OE2 2.98Å; R278-E283 IonicContact NH2-OE2 2.67Å; R278-E283 PolarHBondContact NH2-OE2 3.18Å; R278-E283 PolarHBondContact O-N 3.42Å; S281-E283 WeakPolarHBondContact CB-OE1 3.21Å; S281-E283 PolarHBondContact O-N 3.28Å; S281-E283 WeakPolarHBondContact OG-CG 3.33Å; S281-E283 PolarHBondContact OG-OE1 3.08Å; E283-P285 WeakPolarHBondContact O-CD 3.42Å
284T88.6Confident89.7Confident69 Ų6976.3 Ų76.342%0.42342%0.421SS..  trans-123.274.5177.7420000110.6G282 F286 A294 F295 A296G282-T284 PolarHBondContact O-N 3.19Å; T284-F286 PolarHBondContact O-N 3.36Å; T284-A294 WeakPolarHBondContact OG1-CB 3.49Å; T284-F295 CarbonylContact C-O 3.54Å; T284-F295 VanDerWaalsContact CA-O 3.24Å; T284-F295 WeakPolarHBondContact CA-O 3.34Å; T284-A296 HydrophobicContact CG2-CB 4.39Å
285P89.4Confident89.7Confident61 Ų6171.4 Ų71.440%0.39640%0.403SS..  trans-71.10.5-169.4-16.231.1000115.3E283 P287E283-P285 WeakPolarHBondContact O-CD 3.42Å; P285-P287 VanDerWaalsContact O-CD 3.31Å; P285-P287 WeakPolarHBondContact O-CD 3.29Å
286F92.6Very high89.6Confident69 Ų6968.1 Ų68.130%0.30339%0.392SS..EExtended strand (participates in β ladder)trans-121.879.4-169.5-52.4-66.7000110.2T284 F295 P298 L301T284-F286 PolarHBondContact O-N 3.36Å; F286-F295 HydrophobicContact CB-CB 4.46Å; F286-F295 WeakPolarHBondContact CD2-O 3.34Å; F286-F295 PolarHBondContact N-O 3.15Å; F286-F295 PolarHBondContact O-N 2.81Å; F286-P298 HydrophobicContact CD1-CG 4.07Å; F286-P298 HydrophobicContact CD2-CG 4.1Å; F286-P298 HydrophobicContact CE1-CG 3.77Å; F286-P298 HydrophobicContact CE2-CG 3.82Å; F286-P298 HydrophobicContact CG-CG 4.23Å; F286-P298 HydrophobicContact CZ-CG 3.64Å; F286-L301 HydrophobicContact CB-CB 4.23Å; F286-L301 HydrophobicContact CB-CD2 3.88Å
287P93.5Very high89.5Confident77 Ų7770.6 Ų70.650%0.540%0.401SS..EExtended strand (participates in β ladder)trans-67.1145.4172.729.2-34.7000111.8P285 L301P285-P287 VanDerWaalsContact O-CD 3.31Å; P285-P287 WeakPolarHBondContact O-CD 3.29Å; P287-L301 WeakPolarHBondContact O-CD2 3.46Å
288C94.7Very high89.5Confident2 Ų266.8 Ų66.81%0.01439%0.393CS..  trans-80.3126.8168.9-159.10000109.7D290 G292 R293 F295 L301 H304 H308C288-D290 VanDerWaalsContact C-N 3.27Å; C288-D290 PolarHBondContact O-N 3.32Å; C288-D290 PolarHBondContact SG-OD2 3.42Å; C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.36Å; C288-G292 PolarHBondContact O-N 3.1Å; C288-R293 WeakPolarHBondContact CB-O 3.21Å; C288-R293 PolarHBondContact N-O 2.89Å; C288-F295 HydrophobicContact CB-CE2 4.47Å; C288-L301 HydrophobicContact CB-CD1 3.81Å; C288-H304 PolarHBondContact SG-CD2 2.79Å; C288-H308 PolarHBondContact SG-NE2 3.17Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å
289P91.6Very high89.5Confident112 Ų11268.6 Ų68.673%0.72741%0.411SS*.THydrogen-bonded Turntrans-63.6-35.8179.725.6-32.8000111.8C291P289-C291 PolarHBondContact O-N 3.16Å
290D91.9Very high89.7Confident95 Ų9566.1 Ų66.151%0.50840%0.395SS..THydrogen-bonded Turntrans-78.8-18-170.6-33-78.3000114.1C288 H308C288-D290 VanDerWaalsContact C-N 3.27Å; C288-D290 PolarHBondContact O-N 3.32Å; C288-D290 PolarHBondContact SG-OD2 3.42Å; D290-H308 IonicContact OD2-CD2 3.63Å; D290-H308 PolarHBondContact OD2-CD2 3.1Å; D290-H308 VanDerWaalsContact OD2-CD2 3.24Å; D290-H308 IonicContact OD2-NE2 2.75Å
291C93.2Very high90Very high65 Ų6563.1 Ų63.144%0.43938%0.382SS..THydrogen-bonded Turntrans-150.28.5-173.871.90000115.2P289 R293 H304 H308P289-C291 PolarHBondContact O-N 3.16Å; C291-R293 PolarHBondContact O-N 3.12Å; C291-H304 PolarHBondContact SG-NE2 3.25Å; C291-H308 PolarHBondContact SG-NE2 3.34Å
292G88.6Confident90.3Very high56 Ų5668.7 Ų68.758%0.57739%0.393SS*.  trans67.7-13.8-179.400000116.2C288 A294C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.36Å; C288-G292 PolarHBondContact O-N 3.1Å; G292-A294 PolarHBondContact O-N 3.49Å
293R91.5Very high90.7Very high158 Ų15871.6 Ų71.660%0.59639%0.388SS*.  trans-60.4123.6-174.6-175.8177.31791596.7111.7C288 C291 F295C288-R293 WeakPolarHBondContact CB-O 3.21Å; C288-R293 PolarHBondContact N-O 2.89Å; C291-R293 PolarHBondContact O-N 3.12Å; R293-F295 HydrophobicContact CB-CE2 4.15Å; R293-F295 HydrophobicContact CG-CE2 3.79Å; R293-F295 HydrophobicContact CG-CZ 3.88Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.23Å; R293-F295 WeakPolarHBondContact O-CE2 3.42Å
294A91.3Very high91Very high41 Ų4168.5 Ų68.534%0.33937%0.374SS..EExtended strand (participates in β ladder)trans-94.7147.5-176.500000114.1T284 G292T284-A294 WeakPolarHBondContact OG1-CB 3.49Å; G292-A294 PolarHBondContact O-N 3.49Å
295F88.8Confident91.2Very high31 Ų3167 Ų6714%0.13636%0.364CS..EExtended strand (participates in β ladder)trans-129149.7-177.7-64.6-92.7000111.8T284 F286 C288 R293 Y297 D300 L301 H304T284-F295 CarbonylContact C-O 3.54Å; T284-F295 VanDerWaalsContact CA-O 3.24Å; T284-F295 WeakPolarHBondContact CA-O 3.34Å; F286-F295 HydrophobicContact CB-CB 4.46Å; F286-F295 WeakPolarHBondContact CD2-O 3.34Å; F286-F295 PolarHBondContact N-O 3.15Å; F286-F295 PolarHBondContact O-N 2.81Å; C288-F295 HydrophobicContact CB-CE2 4.47Å; R293-F295 HydrophobicContact CB-CE2 4.15Å; R293-F295 HydrophobicContact CG-CE2 3.79Å; R293-F295 HydrophobicContact CG-CZ 3.88Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.23Å; R293-F295 WeakPolarHBondContact O-CE2 3.42Å; F295-Y297 VanDerWaalsContact C-N 3.33Å; F295-D300 HydrophobicContact CB-CB 4.28Å; F295-D300 HydrophobicContact CD1-CB 3.71Å; F295-D300 HydrophobicContact CG-CB 4.28Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 4.19Å; F295-L301 HydrophobicContact CD2-CD1 4.25Å; F295-L301 HydrophobicContact CG-CB 4.4Å; F295-H304 HydrophobicContact CE1-CB 4.12Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.24Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.81Å; F295-H304 HydrophobicContact CZ-CB 3.55Å; F295-H304 AromaticContact CZ-CD2 3.28Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.25Å; F295-H304 AromaticContact CZ-CG 3.42Å; F295-H304 VanDerWaalsContact CZ-CG 3.42Å
296A87.8Confident91.4Very high22 Ų2266.8 Ų66.818%0.18236%0.356CS..SBendtrans-79.5-15177.100000113.5R278 T284R278-A296 HydrophobicContact CB-CB 4.44Å; T284-A296 HydrophobicContact CG2-CB 4.39Å
297Y87.3Confident91.4Very high63 Ų6366.5 Ų66.525%0.24736%0.36CS..SBendtrans-135.9137.8-175.3-59.8-89.7000112.1Q275 F295 S299 D300 L301Q275-Y297 HydrophobicContact CB-CE1 3.95Å; Q275-Y297 HydrophobicContact CG-CE1 4.33Å; Q275-Y297 PolarHBondContact O-OH 3.13Å; F295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-S299 PolarHBondContact O-N 3.47Å; Y297-D300 WeakPolarHBondContact CD2-OD2 3.41Å; Y297-D300 PolarHBondContact O-N 2.79Å; Y297-L301 PolarHBondContact O-N 2.91Å
298P88.8Confident91.2Very high54 Ų5466.6 Ų66.635%0.35135%0.353SS..Hα-helixtrans-62.7-27.7175.8-2233000113.6F286 D300 R302F286-P298 HydrophobicContact CD1-CG 4.07Å; F286-P298 HydrophobicContact CD2-CG 4.1Å; F286-P298 HydrophobicContact CE1-CG 3.77Å; F286-P298 HydrophobicContact CE2-CG 3.82Å; F286-P298 HydrophobicContact CG-CG 4.23Å; F286-P298 HydrophobicContact CZ-CG 3.64Å; P298-D300 VanDerWaalsContact C-N 3.32Å; P298-R302 WeakPolarHBondContact O-CB 3.17Å; P298-R302 VanDerWaalsContact O-CG 3.27Å; P298-R302 WeakPolarHBondContact O-CG 3.36Å; P298-R302 PolarHBondContact O-N 3.04Å
299S89.7Confident91Very high72 Ų7270 Ų7050%0.50338%0.375SS..Hα-helixtrans-66.4-33.5174.848.60000112.7Y297 R303Y297-S299 PolarHBondContact O-N 3.47Å; S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.16Å; S299-R303 PolarHBondContact O-N 3.47Å
300D90.8Very high90.9Very high41 Ų4166.2 Ų66.222%0.21936%0.355CS..Hα-helixtrans-77.6-40.4178.6-67.5-30.7000111.1F295 Y297 P298 R303 H304F295-D300 HydrophobicContact CB-CB 4.28Å; F295-D300 HydrophobicContact CD1-CB 3.71Å; F295-D300 HydrophobicContact CG-CB 4.28Å; Y297-D300 WeakPolarHBondContact CD2-OD2 3.41Å; Y297-D300 PolarHBondContact O-N 2.79Å; P298-D300 VanDerWaalsContact C-N 3.32Å; D300-R303 PolarHBondContact O-N 2.84Å; D300-R303 IonicContact OD1-CZ 3.98Å; D300-R303 IonicContact OD1-NE 3.81Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.86Å; D300-H304 WeakPolarHBondContact O-CB 3.38Å; D300-H304 PolarHBondContact O-N 3.07Å
301L93.6Very high90.8Very high31 Ų3165.5 Ų65.516%0.16235%0.349CS..Hα-helixtrans-56.9-52.5169.2172.257.8000111.3F286 P287 C288 F295 Y297 R303 H304 V305F286-L301 HydrophobicContact CB-CB 4.23Å; F286-L301 HydrophobicContact CB-CD2 3.88Å; P287-L301 WeakPolarHBondContact O-CD2 3.46Å; C288-L301 HydrophobicContact CB-CD1 3.81Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 4.19Å; F295-L301 HydrophobicContact CD2-CD1 4.25Å; F295-L301 HydrophobicContact CG-CB 4.4Å; Y297-L301 PolarHBondContact O-N 2.91Å; L301-R303 VanDerWaalsContact C-N 3.28Å; L301-R303 PolarHBondContact O-N 3.39Å; L301-H304 CarbonylContact O-C 3.54Å; L301-H304 WeakPolarHBondContact O-CA 3.48Å; L301-H304 WeakPolarHBondContact O-CB 3.5Å; L301-H304 PolarHBondContact O-N 2.89Å; L301-V305 HydrophobicContact CD1-CG2 3.95Å; L301-V305 HydrophobicContact CG-CG2 4.5Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 3.11Å
302R91.9Very high90.8Very high182 Ų18265.8 Ų65.869%0.68734%0.343SS*.Hα-helixtrans-58.5-38.2178-72.5172.8-169.51733.2112.9P298 H304P298-R302 WeakPolarHBondContact O-CB 3.17Å; P298-R302 VanDerWaalsContact O-CG 3.27Å; P298-R302 WeakPolarHBondContact O-CG 3.36Å; P298-R302 PolarHBondContact O-N 3.04Å; R302-H304 VanDerWaalsContact C-N 3.33Å
303R92.3Very high90.9Very high112 Ų11266.4 Ų66.442%0.42334%0.337SS..Hα-helixtrans-67.1-34.6174.4169.1167.555.5163.60.6112S299 D300 L301 Q325S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.16Å; S299-R303 PolarHBondContact O-N 3.47Å; D300-R303 PolarHBondContact O-N 2.84Å; D300-R303 IonicContact OD1-CZ 3.98Å; D300-R303 IonicContact OD1-NE 3.81Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.86Å; L301-R303 VanDerWaalsContact C-N 3.28Å; L301-R303 PolarHBondContact O-N 3.39Å; R303-Q325 VanDerWaalsContact CD-CD 3.48Å; R303-Q325 HydrophobicContact CG-CG 4.46Å
304H93.4Very high91Very high26 Ų2662.4 Ų62.412%0.1232%0.322CS..Hα-helixtrans-75.2-37.3177.617743.4000113.1C288 C291 F295 D300 L301 R302 R306 T307 H308C288-H304 PolarHBondContact SG-CD2 2.79Å; C291-H304 PolarHBondContact SG-NE2 3.25Å; F295-H304 HydrophobicContact CE1-CB 4.12Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.24Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.81Å; F295-H304 HydrophobicContact CZ-CB 3.55Å; F295-H304 AromaticContact CZ-CD2 3.28Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.25Å; F295-H304 AromaticContact CZ-CG 3.42Å; F295-H304 VanDerWaalsContact CZ-CG 3.42Å; D300-H304 WeakPolarHBondContact O-CB 3.38Å; D300-H304 PolarHBondContact O-N 3.07Å; L301-H304 CarbonylContact O-C 3.54Å; L301-H304 WeakPolarHBondContact O-CA 3.48Å; L301-H304 WeakPolarHBondContact O-CB 3.5Å; L301-H304 PolarHBondContact O-N 2.89Å; R302-H304 VanDerWaalsContact C-N 3.33Å; H304-R306 PolarHBondContact O-N 3.47Å; H304-T307 PolarHBondContact CE1-OG1 2.58Å; H304-T307 PolarHBondContact ND1-OG1 3.27Å; H304-T307 WeakPolarHBondContact O-CA 3.49Å; H304-T307 WeakPolarHBondContact O-CB 3.37Å; H304-T307 PolarHBondContact O-N 2.75Å; H304-T307 PolarHBondContact O-OG1 3.2Å; H304-H308 AromaticContact CD2-NE2 3.92Å; H304-H308 AromaticContact CE1-CE1 3.6Å; H304-H308 AromaticContact CE1-NE2 3.39Å; H304-H308 PolarHBondContact CE1-NE2 2.87Å; H304-H308 AromaticContact NE2-CE1 3.8Å; H304-H308 AromaticContact NE2-NE2 3.25Å; H304-H308 PolarHBondContact NE2-NE2 3.27Å
305V93Very high91.2Very high37 Ų3765.9 Ų65.922%0.22433%0.331CS..Hα-helixtrans-56.9-35.9176.91710000111.5L301 T307 H308 T309L301-V305 HydrophobicContact CD1-CG2 3.95Å; L301-V305 HydrophobicContact CG-CG2 4.5Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 3.11Å; V305-T307 PolarHBondContact O-N 3.03Å; V305-H308 WeakPolarHBondContact O-CA 3.41Å; V305-H308 WeakPolarHBondContact O-CB 3.33Å; V305-H308 PolarHBondContact O-N 2.83Å; V305-T309 HydrophobicContact CG1-CG2 3.89Å; V305-T309 PolarHBondContact O-N 3.36Å; V305-T309 PolarHBondContact O-OG1 2.97Å
306R93.1Very high91.4Very high56 Ų5664.4 Ų64.421%0.21133%0.325CS..Hα-helixtrans-59.7-16.7171.1-61-176.6-174.5154.62.8115.2H304 H308 T309 G310 E311 R324H304-R306 PolarHBondContact O-N 3.47Å; R306-H308 VanDerWaalsContact C-N 3.33Å; R306-T309 WeakPolarHBondContact CA-OG1 3.23Å; R306-G310 CarbonylContact O-C 3.21Å; R306-G310 PolarHBondContact O-N 2.64Å; R306-E311 HydrophobicContact CB-CB 4.18Å; R306-E311 HydrophobicContact CG-CB 3.98Å; R306-E311 IonicContact NE-OE2 3.31Å; R306-R324 PolarHBondContact NH1-O 3.32Å; R306-R324 VanDerWaalsContact NH1-O 3.13Å; R306-R324 PolarHBondContact O-NE 3.15Å; R306-R324 VanDerWaalsContact O-NE 3.08Å; R306-R324 PolarHBondContact O-NH2 3.31Å
307T92.3Very high91.5Very high63 Ų6368.3 Ų68.339%0.38735%0.348SS..Hα-helixtrans-75.5-26.717269.20000112.4H304 V305 R324H304-T307 PolarHBondContact CE1-OG1 2.58Å; H304-T307 PolarHBondContact ND1-OG1 3.27Å; H304-T307 WeakPolarHBondContact O-CA 3.49Å; H304-T307 WeakPolarHBondContact O-CB 3.37Å; H304-T307 PolarHBondContact O-N 2.75Å; H304-T307 PolarHBondContact O-OG1 3.2Å; V305-T307 PolarHBondContact O-N 3.03Å; T307-R324 PolarHBondContact O-NH2 3.01Å; T307-R324 VanDerWaalsContact O-NH2 3.14Å
308H90.7Very high91.6Very high79 Ų7968.9 Ų68.937%0.36636%0.356SS..Hα-helixtrans-88.4-51.4175-51.7-50.1000111.5C288 D290 C291 H304 V305 R306 G310C288-H308 PolarHBondContact SG-NE2 3.17Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å; D290-H308 IonicContact OD2-CD2 3.63Å; D290-H308 PolarHBondContact OD2-CD2 3.1Å; D290-H308 VanDerWaalsContact OD2-CD2 3.24Å; D290-H308 IonicContact OD2-NE2 2.75Å; C291-H308 PolarHBondContact SG-NE2 3.34Å; H304-H308 AromaticContact CD2-NE2 3.92Å; H304-H308 AromaticContact CE1-CE1 3.6Å; H304-H308 AromaticContact CE1-NE2 3.39Å; H304-H308 PolarHBondContact CE1-NE2 2.87Å; H304-H308 AromaticContact NE2-CE1 3.8Å; H304-H308 AromaticContact NE2-NE2 3.25Å; H304-H308 PolarHBondContact NE2-NE2 3.27Å; V305-H308 WeakPolarHBondContact O-CA 3.41Å; V305-H308 WeakPolarHBondContact O-CB 3.33Å; V305-H308 PolarHBondContact O-N 2.83Å; R306-H308 VanDerWaalsContact C-N 3.33Å; H308-G310 PolarHBondContact O-N 3.3Å; H308-G310 VanDerWaalsContact O-N 3.14Å
309T89.3Confident91.7Very high75 Ų7568.4 Ų68.446%0.4635%0.353SS..SBendtrans-70.2-8.4-178.662.70000114.3V305 R306 E311V305-T309 HydrophobicContact CG1-CG2 3.89Å; V305-T309 PolarHBondContact O-N 3.36Å; V305-T309 PolarHBondContact O-OG1 2.97Å; R306-T309 WeakPolarHBondContact CA-OG1 3.23Å; T309-E311 WeakPolarHBondContact CB-OE1 3.4Å; T309-E311 PolarHBondContact O-N 3.37Å; T309-E311 VanDerWaalsContact O-N 3.08Å; T309-E311 VanDerWaalsContact OG1-CD 3.3Å; T309-E311 WeakPolarHBondContact OG1-CG 3.4Å; T309-E311 PolarHBondContact OG1-OE1 3.47Å
310G89.3Confident91.7Very high31 Ų3166.3 Ų66.332%0.3234%0.342SS..  trans83.9-37.3-178.600000114R306 H308R306-G310 CarbonylContact O-C 3.21Å; R306-G310 PolarHBondContact O-N 2.64Å; H308-G310 PolarHBondContact O-N 3.3Å; H308-G310 VanDerWaalsContact O-N 3.14Å
311E90.9Very high91.7Very high81 Ų8171.6 Ų71.638%0.37936%0.359SS..  trans-21.5124.5-177.2-82.5171.7-114.600115.9R306 T309 P313 R324R306-E311 HydrophobicContact CB-CB 4.18Å; R306-E311 HydrophobicContact CG-CB 3.98Å; R306-E311 IonicContact NE-OE2 3.31Å; T309-E311 WeakPolarHBondContact CB-OE1 3.4Å; T309-E311 PolarHBondContact O-N 3.37Å; T309-E311 VanDerWaalsContact O-N 3.08Å; T309-E311 VanDerWaalsContact OG1-CD 3.3Å; T309-E311 WeakPolarHBondContact OG1-CG 3.4Å; T309-E311 PolarHBondContact OG1-OE1 3.47Å; E311-P313 HydrophobicContact CB-CG 4.44Å; E311-R324 WeakPolarHBondContact O-CG 3.21Å
312K92.1Very high91.7Very high71 Ų7171 Ų7131%0.30936%0.357SS..  trans-125.468.7176.1-63.3161.9-170.6161.40111.8Y314 C322 F323 R324K312-Y314 PolarHBondContact O-N 2.83Å; K312-C322 HydrophobicContact CB-CB 3.55Å; K312-C322 HydrophobicContact CD-CB 4.15Å; K312-C322 HydrophobicContact CG-CB 4.47Å; K312-C322 WeakPolarHBondContact O-CB 3.18Å; K312-F323 CarbonylContact C-O 3.3Å; K312-F323 WeakPolarHBondContact CA-O 3.33Å; K312-R324 HydrophobicContact CG-CG 4.2Å
313P91.8Very high91.7Very high69 Ų6963.9 Ų63.945%0.44833%0.332SS..  trans-69.43.5-167.3-20.334.7000116.6E311E311-P313 HydrophobicContact CB-CG 4.44Å
314Y93.6Very high91.6Very high73 Ų7362.6 Ų62.629%0.28633%0.327SS..EExtended strand (participates in β ladder)trans-120.390-175.9-54.1-73.8000110.7K312 F323 R324K312-Y314 PolarHBondContact O-N 2.83Å; Y314-F323 PolarHBondContact N-O 3.23Å; Y314-F323 PolarHBondContact O-N 3.08Å; Y314-R324 WeakPolarHBondContact CE2-O 3.47Å
315Q94.9Very high91.5Very high115 Ų11563.8 Ų63.854%0.53733%0.332SS..EExtended strand (participates in β ladder)trans-73.6142.9173.9-164.3167.337.300111.7G320Q315-G320 VanDerWaalsContact CG-O 3.3Å; Q315-G320 WeakPolarHBondContact CG-O 3.41Å; Q315-G320 PolarHBondContact NE2-O 3.02Å
316C93.3Very high91.5Very high0 Ų065 Ų650%034%0.343CS..  trans-83.7119.7168.5-168.90000109.2D318 C319 G320 R321 F323 M329 H332C316-D318 PolarHBondContact O-N 3.19Å; C316-D318 PolarHBondContact SG-OD2 3.3Å; C316-C319 PolarHBondContact O-N 2.99Å; C316-G320 WeakPolarHBondContact O-CA 3.38Å; C316-G320 PolarHBondContact O-N 2.88Å; C316-R321 HydrophobicContact CB-CB 4.47Å; C316-R321 VanDerWaalsContact CB-O 3.32Å; C316-R321 WeakPolarHBondContact CB-O 2.9Å; C316-R321 PolarHBondContact N-O 3.17Å; C316-F323 HydrophobicContact CB-CE2 4.31Å; C316-M329 HydrophobicContact CB-CG 4.46Å; C316-H332 VanDerWaalsContact SG-CD2 3.58Å
317P90.3Very high91.3Very high103 Ų10365.7 Ų65.767%0.66936%0.356SS*.THydrogen-bonded Turntrans-67.3-27.2-177.628.5-34.7000112.2C319P317-C319 VanDerWaalsContact C-N 3.35Å; P317-C319 PolarHBondContact O-N 2.84Å
318D89.4Confident91.2Very high76 Ų7666 Ų6641%0.40635%0.353SS..THydrogen-bonded Turntrans-82.3-9.4-173.7-27.9-94.4000113.5C316 R333 H336C316-D318 PolarHBondContact O-N 3.19Å; C316-D318 PolarHBondContact SG-OD2 3.3Å; D318-R333 IonicContact OD1-CZ 2.79Å; D318-R333 IonicContact OD1-NE 3.3Å; D318-R333 IonicContact OD1-NH2 2.64Å; D318-R333 PolarHBondContact OD1-NH2 3.28Å; D318-R333 IonicContact OD2-CZ 3.47Å; D318-R333 IonicContact OD2-NE 3.32Å; D318-R333 PolarHBondContact OD2-NE 3.18Å; D318-R333 IonicContact OD2-NH2 3.85Å; D318-R333 PolarHBondContact OD2-NH2 3.37Å; D318-H336 IonicContact OD2-CD2 3.43Å
319C90.9Very high91.4Very high43 Ų4364 Ų6429%0.29135%0.345SS..THydrogen-bonded Turntrans-158.210.2-176.669.30000115.9C316 P317 R321 H332 H336C316-C319 PolarHBondContact O-N 2.99Å; P317-C319 VanDerWaalsContact C-N 3.35Å; P317-C319 PolarHBondContact O-N 2.84Å; C319-R321 PolarHBondContact O-N 3.14Å; C319-H332 PolarHBondContact SG-NE2 3.47Å; C319-H336 PolarHBondContact SG-NE2 3.24Å
320G89.3Confident91.4Very high28 Ų2862.4 Ų62.429%0.28934%0.339SS..  trans69.2-8.2179.200000116.7Q315 C316 C322Q315-G320 VanDerWaalsContact CG-O 3.3Å; Q315-G320 WeakPolarHBondContact CG-O 3.41Å; Q315-G320 PolarHBondContact NE2-O 3.02Å; C316-G320 WeakPolarHBondContact O-CA 3.38Å; C316-G320 PolarHBondContact O-N 2.88Å; G320-C322 PolarHBondContact O-N 3.21Å
321R91Very high91.3Very high152 Ų15261.7 Ų61.757%0.57433%0.33SS*.  trans-69.8125.8-173.8-169.3173.1-174.2139.24.7112.8C316 C319 F323C316-R321 HydrophobicContact CB-CB 4.47Å; C316-R321 VanDerWaalsContact CB-O 3.32Å; C316-R321 WeakPolarHBondContact CB-O 2.9Å; C316-R321 PolarHBondContact N-O 3.17Å; C319-R321 PolarHBondContact O-N 3.14Å; R321-F323 HydrophobicContact CB-CE2 4.07Å; R321-F323 HydrophobicContact CB-CZ 4.49Å; R321-F323 HydrophobicContact CG-CE2 3.85Å; R321-F323 HydrophobicContact CG-CZ 3.9Å; R321-F323 WeakPolarHBondContact O-CD2 3.38Å; R321-F323 VanDerWaalsContact O-CE2 3.25Å; R321-F323 WeakPolarHBondContact O-CE2 3.44Å
322C92.8Very high91.2Very high18 Ų1859.1 Ų59.112%0.12232%0.318CS..EExtended strand (participates in β ladder)trans-96.4144.7-176.9-60.80000114.4K312 G320 C406K312-C322 HydrophobicContact CB-CB 3.55Å; K312-C322 HydrophobicContact CD-CB 4.15Å; K312-C322 HydrophobicContact CG-CB 4.47Å; K312-C322 WeakPolarHBondContact O-CB 3.18Å; G320-C322 PolarHBondContact O-N 3.21Å; C322-C406 HydrophobicContact CB-CB 4.07Å; C322-C406 WeakPolarHBondContact CB-SG 3.42Å; C322-C406 WeakPolarHBondContact SG-CB 3.33Å; C322-C406 CovalentContact SG-SG 2.03Å; C322-C406 PolarHBondContact SG-SG 3.09Å
323F91.6Very high91.1Very high34 Ų3460.9 Ų60.915%0.14932%0.322CS..EExtended strand (participates in β ladder)trans-129.5156.2-176.2-64-93.1000113.4K312 Y314 C316 R321 E328 M329 H332K312-F323 CarbonylContact C-O 3.3Å; K312-F323 WeakPolarHBondContact CA-O 3.33Å; Y314-F323 PolarHBondContact N-O 3.23Å; Y314-F323 PolarHBondContact O-N 3.08Å; C316-F323 HydrophobicContact CB-CE2 4.31Å; R321-F323 HydrophobicContact CB-CE2 4.07Å; R321-F323 HydrophobicContact CB-CZ 4.49Å; R321-F323 HydrophobicContact CG-CE2 3.85Å; R321-F323 HydrophobicContact CG-CZ 3.9Å; R321-F323 WeakPolarHBondContact O-CD2 3.38Å; R321-F323 VanDerWaalsContact O-CE2 3.25Å; R321-F323 WeakPolarHBondContact O-CE2 3.44Å; F323-E328 HydrophobicContact CB-CB 4.06Å; F323-E328 HydrophobicContact CD1-CB 3.72Å; F323-E328 HydrophobicContact CG-CB 4.18Å; F323-M329 HydrophobicContact CB-CB 4.08Å; F323-M329 HydrophobicContact CD2-CB 3.75Å; F323-M329 HydrophobicContact CD2-CG 4.18Å; F323-M329 HydrophobicContact CG-CB 4.03Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.01Å; F323-H332 AromaticContact CE2-CD2 3.34Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.43Å; F323-H332 AromaticContact CE2-CG 3.91Å; F323-H332 HydrophobicContact CZ-CB 3.49Å; F323-H332 VanDerWaalsContact CZ-CB 3.49Å; F323-H332 AromaticContact CZ-CD2 3.28Å; F323-H332 WeakPolarHBondContact CZ-CD2 2.96Å; F323-H332 AromaticContact CZ-CG 3.43Å; F323-H332 VanDerWaalsContact CZ-CG 3.43Å
324R91.1Very high90.9Very high85 Ų8560.5 Ų60.532%0.32131%0.312SS..SBendtrans-80.8-24.9-178.8-65.9-173.4161.1161.3-12.5112.9R306 T307 E311 K312 Y314 E328R306-R324 PolarHBondContact NH1-O 3.32Å; R306-R324 VanDerWaalsContact NH1-O 3.13Å; R306-R324 PolarHBondContact O-NE 3.15Å; R306-R324 VanDerWaalsContact O-NE 3.08Å; R306-R324 PolarHBondContact O-NH2 3.31Å; T307-R324 PolarHBondContact O-NH2 3.01Å; T307-R324 VanDerWaalsContact O-NH2 3.14Å; E311-R324 WeakPolarHBondContact O-CG 3.21Å; K312-R324 HydrophobicContact CG-CG 4.2Å; Y314-R324 WeakPolarHBondContact CE2-O 3.47Å; R324-E328 PolarHBondContact N-OE2 3.25Å; R324-E328 VanDerWaalsContact N-OE2 3.1Å
325Q91.5Very high90.5Very high50 Ų5061.5 Ų61.523%0.23433%0.326CS..SBendtrans-129.3142.5177.3-53.5-179.779.100112.2R303 S327 E328 M329R303-Q325 VanDerWaalsContact CD-CD 3.48Å; R303-Q325 HydrophobicContact CG-CG 4.46Å; Q325-S327 PolarHBondContact O-N 2.89Å; Q325-E328 HydrophobicContact CB-CB 4.48Å; Q325-E328 HydrophobicContact CB-CG 3.94Å; Q325-E328 HydrophobicContact CG-CG 4.48Å; Q325-E328 PolarHBondContact N-OE2 3.47Å; Q325-E328 PolarHBondContact NE2-OE1 3.27Å; Q325-E328 WeakPolarHBondContact O-CB 3.17Å; Q325-E328 PolarHBondContact O-N 2.88Å; Q325-M329 PolarHBondContact O-N 3.4Å
326S92Very high90Very high63 Ų6360 Ų6044%0.44132%0.318SS..Hα-helixtrans-61.9-28.2175.454.60000113.1A330S326-A330 WeakPolarHBondContact O-CB 3.33Å; S326-A330 PolarHBondContact O-N 3Å
327S89.9Confident89.5Confident71 Ų7163.1 Ų63.150%0.49734%0.341SS..Hα-helixtrans-69.4-29.5173.850.50000113.5Q325 A331Q325-S327 PolarHBondContact O-N 2.89Å; S327-A331 WeakPolarHBondContact O-CB 3.34Å; S327-A331 PolarHBondContact O-N 3.47Å; S327-A331 VanDerWaalsContact O-N 3.11Å
328E90.1Very high89.1Confident68 Ų6860.2 Ų60.232%0.31833%0.33SS..Hα-helixtrans-73-49.9173.9-64.4159176.400109.7F323 R324 Q325 A330 A331 H332F323-E328 HydrophobicContact CB-CB 4.06Å; F323-E328 HydrophobicContact CD1-CB 3.72Å; F323-E328 HydrophobicContact CG-CB 4.18Å; R324-E328 PolarHBondContact N-OE2 3.25Å; R324-E328 VanDerWaalsContact N-OE2 3.1Å; Q325-E328 HydrophobicContact CB-CB 4.48Å; Q325-E328 HydrophobicContact CB-CG 3.94Å; Q325-E328 HydrophobicContact CG-CG 4.48Å; Q325-E328 PolarHBondContact N-OE2 3.47Å; Q325-E328 PolarHBondContact NE2-OE1 3.27Å; Q325-E328 WeakPolarHBondContact O-CB 3.17Å; Q325-E328 PolarHBondContact O-N 2.88Å; E328-A330 PolarHBondContact O-N 3.4Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CA 3.29Å; E328-A331 PolarHBondContact O-N 3.43Å; E328-H332 PolarHBondContact O-N 2.92Å
329M93.3Very high88.7Confident39 Ų3961.5 Ų61.519%0.19233%0.333CS..Hα-helixtrans-56.7-49.4174.6178.8-81.9-75.600111.2C316 F323 Q325 A331 H332 R333C316-M329 HydrophobicContact CB-CG 4.46Å; F323-M329 HydrophobicContact CB-CB 4.08Å; F323-M329 HydrophobicContact CD2-CB 3.75Å; F323-M329 HydrophobicContact CD2-CG 4.18Å; F323-M329 HydrophobicContact CG-CB 4.03Å; Q325-M329 PolarHBondContact O-N 3.4Å; M329-A331 PolarHBondContact O-N 2.89Å; M329-H332 WeakPolarHBondContact O-CA 3.44Å; M329-H332 WeakPolarHBondContact O-CB 3.5Å; M329-H332 PolarHBondContact O-N 3Å; M329-R333 PolarHBondContact O-N 3.48Å; M329-R333 HydrophobicContact SD-CG 3.87Å
330A89.4Confident88.5Confident41 Ų4165 Ų6534%0.33934%0.343SS..Hα-helixtrans-68-16.717800000113.9S326 E328 R334S326-A330 WeakPolarHBondContact O-CB 3.33Å; S326-A330 PolarHBondContact O-N 3Å; E328-A330 PolarHBondContact O-N 3.4Å; A330-R334 PolarHBondContact O-NH2 2.95Å
331A87.5Confident88.3Confident15 Ų1566.1 Ų66.112%0.12435%0.346CS..Hα-helixtrans-87.8-29.1169.600000112.7S327 E328 M329 Q353S327-A331 WeakPolarHBondContact O-CB 3.34Å; S327-A331 PolarHBondContact O-N 3.47Å; S327-A331 VanDerWaalsContact O-N 3.11Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CA 3.29Å; E328-A331 PolarHBondContact O-N 3.43Å; M329-A331 PolarHBondContact O-N 2.89Å; A331-Q353 HydrophobicContact CB-CG 4.27Å
332H89.8Confident88.2Confident28 Ų2862 Ų6213%0.1333%0.33CS..Hα-helixtrans-70.2-42.4171.2172.143.7000112C316 C319 F323 E328 M329 R334 T335 H336C316-H332 VanDerWaalsContact SG-CD2 3.58Å; C319-H332 PolarHBondContact SG-NE2 3.47Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.01Å; F323-H332 AromaticContact CE2-CD2 3.34Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.43Å; F323-H332 AromaticContact CE2-CG 3.91Å; F323-H332 HydrophobicContact CZ-CB 3.49Å; F323-H332 VanDerWaalsContact CZ-CB 3.49Å; F323-H332 AromaticContact CZ-CD2 3.28Å; F323-H332 WeakPolarHBondContact CZ-CD2 2.96Å; F323-H332 AromaticContact CZ-CG 3.43Å; F323-H332 VanDerWaalsContact CZ-CG 3.43Å; E328-H332 PolarHBondContact O-N 2.92Å; M329-H332 WeakPolarHBondContact O-CA 3.44Å; M329-H332 WeakPolarHBondContact O-CB 3.5Å; M329-H332 PolarHBondContact O-N 3Å; H332-R334 PolarHBondContact O-N 2.77Å; H332-T335 PolarHBondContact CE1-OG1 2.91Å; H332-T335 PolarHBondContact ND1-OG1 3.49Å; H332-T335 VanDerWaalsContact ND1-OG1 3.14Å; H332-T335 WeakPolarHBondContact O-CB 3.28Å; H332-T335 PolarHBondContact O-N 2.9Å; H332-T335 PolarHBondContact O-OG1 3.38Å; H332-H336 AromaticContact CE1-CE1 3.78Å; H332-H336 AromaticContact CE1-NE2 3.55Å; H332-H336 AromaticContact NE2-CE1 3.92Å; H332-H336 AromaticContact NE2-NE2 3.36Å; H332-H336 PolarHBondContact NE2-NE2 3.17Å
333R89.1Confident88.1Confident108 Ų10864.7 Ų64.741%0.40835%0.348SS..Hα-helixtrans-53.9-25.9179.7-69.4-164.172.4-118.8-6.1114.3D318 M329 T335 H336 S337D318-R333 IonicContact OD1-CZ 2.79Å; D318-R333 IonicContact OD1-NE 3.3Å; D318-R333 IonicContact OD1-NH2 2.64Å; D318-R333 PolarHBondContact OD1-NH2 3.28Å; D318-R333 IonicContact OD2-CZ 3.47Å; D318-R333 IonicContact OD2-NE 3.32Å; D318-R333 PolarHBondContact OD2-NE 3.18Å; D318-R333 IonicContact OD2-NH2 3.85Å; D318-R333 PolarHBondContact OD2-NH2 3.37Å; M329-R333 PolarHBondContact O-N 3.48Å; M329-R333 HydrophobicContact SD-CG 3.87Å; R333-T335 PolarHBondContact O-N 3.43Å; R333-H336 WeakPolarHBondContact O-CB 3.4Å; R333-H336 PolarHBondContact O-N 3.45Å; R333-H336 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact O-N 2.94Å
334R87.1Confident88.1Confident60 Ų6063.1 Ų63.123%0.22634%0.341CS..Hα-helixtrans-69.9-13173.6-58.3-167.8-162.990.222.6114.7A330 H332 H336 G338 E339 G352A330-R334 PolarHBondContact O-NH2 2.95Å; H332-R334 PolarHBondContact O-N 2.77Å; R334-H336 VanDerWaalsContact C-N 3.33Å; R334-G338 CarbonylContact O-C 3.57Å; R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 2.94Å; R334-E339 HydrophobicContact CB-CB 4.07Å; R334-E339 HydrophobicContact CG-CB 4.15Å; R334-E339 PolarHBondContact O-N 3Å; R334-G352 PolarHBondContact NH1-O 2.91Å
335T85.7Confident88Confident94 Ų9464 Ų6458%0.57736%0.358SS*.Hα-helixtrans-74.8-28169.264.40000111.5H332 R333H332-T335 PolarHBondContact CE1-OG1 2.91Å; H332-T335 PolarHBondContact ND1-OG1 3.49Å; H332-T335 VanDerWaalsContact ND1-OG1 3.14Å; H332-T335 WeakPolarHBondContact O-CB 3.28Å; H332-T335 PolarHBondContact O-N 2.9Å; H332-T335 PolarHBondContact O-OG1 3.38Å; R333-T335 PolarHBondContact O-N 3.43Å
336H85.3Confident87.8Confident83 Ų8367 Ų6738%0.38437%0.372SS..Hα-helixtrans-79.4-46.6175.6-55.4-48000111.6D318 C319 H332 R333 R334 G338D318-H336 IonicContact OD2-CD2 3.43Å; C319-H336 PolarHBondContact SG-NE2 3.24Å; H332-H336 AromaticContact CE1-CE1 3.78Å; H332-H336 AromaticContact CE1-NE2 3.55Å; H332-H336 AromaticContact NE2-CE1 3.92Å; H332-H336 AromaticContact NE2-NE2 3.36Å; H332-H336 PolarHBondContact NE2-NE2 3.17Å; R333-H336 WeakPolarHBondContact O-CB 3.4Å; R333-H336 PolarHBondContact O-N 3.45Å; R333-H336 VanDerWaalsContact O-N 3.12Å; R334-H336 VanDerWaalsContact C-N 3.33Å; H336-G338 PolarHBondContact O-N 2.99Å
337S83.1Confident87.8Confident67 Ų6767 Ų6747%0.46937%0.371SS..SBendtrans-76.9-2.7176.267.40000114.6R333 E339R333-S337 PolarHBondContact O-N 2.94Å; S337-E339 PolarHBondContact O-N 3.18Å; S337-E339 WeakPolarHBondContact OG-CB 3.24Å; S337-E339 WeakPolarHBondContact OG-CG 3.44Å; S337-E339 PolarHBondContact OG-OE1 2.95Å
338G81.1Confident87.6Confident42 Ų4265.8 Ų65.843%0.43337%0.37SS..  trans65.20.9-175.500000115.2R334 H336 K340R334-G338 CarbonylContact O-C 3.57Å; R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 2.94Å; H336-G338 PolarHBondContact O-N 2.99Å; G338-K340 PolarHBondContact O-N 3.4Å
339E82.1Confident87.5Confident103 Ų10370.5 Ų70.548%0.48139%0.385SS..  trans-56.4127.1-173.8-88.5173.7-123.200113R334 S337 P341 G352R334-E339 HydrophobicContact CB-CB 4.07Å; R334-E339 HydrophobicContact CG-CB 4.15Å; R334-E339 PolarHBondContact O-N 3Å; S337-E339 PolarHBondContact O-N 3.18Å; S337-E339 WeakPolarHBondContact OG-CB 3.24Å; S337-E339 WeakPolarHBondContact OG-CG 3.44Å; S337-E339 PolarHBondContact OG-OE1 2.95Å; E339-P341 HydrophobicContact CB-CG 4.46Å; E339-P341 WeakPolarHBondContact O-CD 3.47Å; E339-G352 WeakPolarHBondContact O-CA 3.43Å
340K85Confident87.2Confident116 Ų11676.1 Ų76.150%0.50440%0.404SS..  trans-124.476.7175.2-68.5158-166.3166.20109.8G338 Y342 R350 F351G338-K340 PolarHBondContact O-N 3.4Å; K340-Y342 PolarHBondContact O-N 2.84Å; K340-R350 HydrophobicContact CB-CB 3.65Å; K340-R350 PolarHBondContact O-NE 3.5Å; K340-R350 PolarHBondContact O-NH2 3.16Å; K340-F351 CarbonylContact C-O 3.58Å; K340-F351 WeakPolarHBondContact CA-O 3.41Å
341P86.4Confident87Confident52 Ų5276.1 Ų76.134%0.33840%0.396SS..  trans-71.7-14.8-172.7-1933.9000114.3E339 P343E339-P341 HydrophobicContact CB-CG 4.46Å; E339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-P343 VanDerWaalsContact O-CD 3.3Å; P341-P343 WeakPolarHBondContact O-CD 3.42Å
342Y88.3Confident86.8Confident64 Ų6476.4 Ų76.425%0.25140%0.401SS..EExtended strand (participates in β ladder)trans-111.998.9-169.6-48.7-62.3000111.2K340 F351 G352 Q353 K354 V357K340-Y342 PolarHBondContact O-N 2.84Å; Y342-F351 PolarHBondContact N-O 2.73Å; Y342-F351 VanDerWaalsContact N-O 3.11Å; Y342-F351 PolarHBondContact O-N 2.64Å; Y342-G352 WeakPolarHBondContact CE2-O 3.16Å; Y342-Q353 VanDerWaalsContact CD2-C 3.46Å; Y342-K354 HydrophobicContact CD1-CD 4.4Å; Y342-K354 HydrophobicContact CD1-CG 3.65Å; Y342-K354 HydrophobicContact CD2-CG 4.02Å; Y342-K354 HydrophobicContact CE1-CD 4.2Å; Y342-K354 VanDerWaalsContact CE1-CE 3.43Å; Y342-K354 HydrophobicContact CE1-CG 3.71Å; Y342-K354 HydrophobicContact CE2-CG 4.04Å; Y342-K354 HydrophobicContact CG-CG 3.81Å; Y342-V357 WeakPolarHBondContact O-CG2 3.47Å
343P90.6Very high86.5Confident75 Ų7579.1 Ų79.149%0.48741%0.414SS..EExtended strand (participates in β ladder)trans-72.3150.517131-34.5000111.3P341 R349 R350P341-P343 VanDerWaalsContact O-CD 3.3Å; P341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-R349 CarbonylContact C-O 3.57Å; P343-R350 HydrophobicContact CB-CG 4.33Å
344C91.6Very high86.4Confident2 Ų281 Ų811%0.01443%0.425CS..  trans-77.6126.6163.5-176.70000109.5Q346 C347 G348 R349 F351 V357C344-Q346 PolarHBondContact O-N 3.49Å; C344-C347 PolarHBondContact O-N 3.45Å; C344-G348 WeakPolarHBondContact O-CA 3.27Å; C344-G348 PolarHBondContact O-N 3.43Å; C344-R349 PolarHBondContact N-O 2.98Å; C344-F351 HydrophobicContact CB-CE2 4.37Å; C344-V357 HydrophobicContact CB-CG1 4.37Å
345P88.9Confident86.5Confident103 Ų10381.1 Ų81.167%0.66943%0.434SS*.THydrogen-bonded Turntrans-68.4-14.9-176.327.7-35.6000114.1
346Q87.9Confident86.6Confident113 Ų11378.2 Ų78.253%0.52842%0.42SS..THydrogen-bonded Turntrans-98-19-176.6-68.5163.4-6800113.8C344 H364C344-Q346 PolarHBondContact O-N 3.49Å; Q346-H364 HydrophobicContact CB-CB 4.48Å
347C91.2Very high86.7Confident62 Ų6274.8 Ų74.842%0.41941%0.405SS..THydrogen-bonded Turntrans-146.59.1-175.670.20000114.8C344 R349 H360 H364C344-C347 PolarHBondContact O-N 3.45Å; C347-R349 PolarHBondContact O-N 3.07Å; C347-H360 PolarHBondContact SG-NE2 3.47Å; C347-H364 PolarHBondContact SG-NE2 3.46Å
348G85.6Confident86.9Confident47 Ų4773.9 Ų73.949%0.48540%0.402SS..  trans69-20.4-179.400000116.1C344 R350C344-G348 WeakPolarHBondContact O-CA 3.27Å; C344-G348 PolarHBondContact O-N 3.43Å; G348-R350 WeakPolarHBondContact O-CG 3.44Å; G348-R350 PolarHBondContact O-N 3.44Å
349R88.6Confident87.3Confident166 Ų16679.8 Ų79.863%0.62642%0.415SS*.  trans-52.1125.2-173.3-166.5174.5-169.4176.15.2111.6P343 C344 C347 F351P343-R349 CarbonylContact C-O 3.57Å; C344-R349 PolarHBondContact N-O 2.98Å; C347-R349 PolarHBondContact O-N 3.07Å; R349-F351 HydrophobicContact CB-CE2 4.08Å; R349-F351 HydrophobicContact CG-CE2 4.01Å; R349-F351 HydrophobicContact CG-CZ 4.12Å; R349-F351 VanDerWaalsContact O-CD2 3.24Å; R349-F351 WeakPolarHBondContact O-CD2 3.43Å; R349-F351 WeakPolarHBondContact O-CE2 3.39Å
350R87.9Confident87.6Confident157 Ų15776.1 Ų76.159%0.59240%0.398SS*.EExtended strand (participates in β ladder)trans-97.1140.9-169.9-57.8179.762.9166.51.7112.7K340 P343 G348K340-R350 HydrophobicContact CB-CB 3.65Å; K340-R350 PolarHBondContact O-NE 3.5Å; K340-R350 PolarHBondContact O-NH2 3.16Å; P343-R350 HydrophobicContact CB-CG 4.33Å; G348-R350 WeakPolarHBondContact O-CG 3.44Å; G348-R350 PolarHBondContact O-N 3.44Å
351F84.1Confident87.8Confident41 Ų4174.1 Ų74.118%0.1839%0.391CS..EExtended strand (participates in β ladder)trans-131.2150.6-178.1-60.9-98.4000112K340 Y342 C344 R349 Q353 A356 V357 H360K340-F351 CarbonylContact C-O 3.58Å; K340-F351 WeakPolarHBondContact CA-O 3.41Å; Y342-F351 PolarHBondContact N-O 2.73Å; Y342-F351 VanDerWaalsContact N-O 3.11Å; Y342-F351 PolarHBondContact O-N 2.64Å; C344-F351 HydrophobicContact CB-CE2 4.37Å; R349-F351 HydrophobicContact CB-CE2 4.08Å; R349-F351 HydrophobicContact CG-CE2 4.01Å; R349-F351 HydrophobicContact CG-CZ 4.12Å; R349-F351 VanDerWaalsContact O-CD2 3.24Å; R349-F351 WeakPolarHBondContact O-CD2 3.43Å; R349-F351 WeakPolarHBondContact O-CE2 3.39Å; F351-Q353 VanDerWaalsContact C-N 3.34Å; F351-A356 HydrophobicContact CB-CB 4.14Å; F351-A356 HydrophobicContact CD1-CB 3.71Å; F351-A356 HydrophobicContact CG-CB 4.22Å; F351-V357 HydrophobicContact CB-CG2 3.82Å; F351-V357 HydrophobicContact CD2-CG2 3.78Å; F351-V357 HydrophobicContact CG-CG2 4.03Å; F351-H360 HydrophobicContact CE1-CB 4.16Å; F351-H360 HydrophobicContact CE2-CB 4.13Å; F351-H360 AromaticContact CE2-CD2 3.47Å; F351-H360 VanDerWaalsContact CE2-CD2 3.47Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.48Å; F351-H360 AromaticContact CE2-CG 4Å; F351-H360 HydrophobicContact CZ-CB 3.6Å; F351-H360 AromaticContact CZ-CD2 3.39Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.47Å; F351-H360 AromaticContact CZ-CG 3.5Å
352G84Confident87.8Confident21 Ų2179.1 Ų79.122%0.21640%0.403CS..SBendtrans-78.5-11.6177.500000115.1R334 E339 Y342R334-G352 PolarHBondContact NH1-O 2.91Å; E339-G352 WeakPolarHBondContact O-CA 3.43Å; Y342-G352 WeakPolarHBondContact CE2-O 3.16Å
353Q83.9Confident87.7Confident85 Ų8581.2 Ų81.240%0.39742%0.422SS..SBendtrans-139.8141.6178.6-56.2-173.310.200112.1A331 Y342 F351 S355 A356 V357A331-Q353 HydrophobicContact CB-CG 4.27Å; Y342-Q353 VanDerWaalsContact CD2-C 3.46Å; F351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-S355 VanDerWaalsContact C-N 3.27Å; Q353-S355 VanDerWaalsContact CB-OG 3.3Å; Q353-S355 WeakPolarHBondContact CB-OG 3.31Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 PolarHBondContact OE1-OG 2.87Å; Q353-A356 WeakPolarHBondContact O-CB 3.21Å; Q353-A356 PolarHBondContact O-N 3.44Å; Q353-A356 VanDerWaalsContact O-N 3.13Å; Q353-V357 PolarHBondContact O-N 3.36Å
354K85.9Confident87.4Confident149 Ų14980.5 Ų80.565%0.64841%0.412SS*.Hα-helixtrans-61.1-33.8175.5-65.5-172.1178-173.50113Y342 A356 V357 A358Y342-K354 HydrophobicContact CD1-CD 4.4Å; Y342-K354 HydrophobicContact CD1-CG 3.65Å; Y342-K354 HydrophobicContact CD2-CG 4.02Å; Y342-K354 HydrophobicContact CE1-CD 4.2Å; Y342-K354 VanDerWaalsContact CE1-CE 3.43Å; Y342-K354 HydrophobicContact CE1-CG 3.71Å; Y342-K354 HydrophobicContact CE2-CG 4.04Å; Y342-K354 HydrophobicContact CG-CG 3.81Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.92Å; K354-V357 PolarHBondContact O-N 3.39Å; K354-A358 PolarHBondContact O-N 3.48Å
355S88.6Confident86.9Confident61 Ų6187.5 Ų87.543%0.42744%0.438SS..Hα-helixtrans-56.9-38.5173.748.90000112.6Q353 K359Q353-S355 VanDerWaalsContact C-N 3.27Å; Q353-S355 VanDerWaalsContact CB-OG 3.3Å; Q353-S355 WeakPolarHBondContact CB-OG 3.31Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 PolarHBondContact OE1-OG 2.87Å; S355-K359 WeakPolarHBondContact O-CG 3.28Å; S355-K359 PolarHBondContact O-N 3.07Å
356A87.6Confident85.9Confident33 Ų3388.6 Ų88.627%0.27345%0.445SS..Hα-helixtrans-73-36.2177.100000112.1F351 Q353 K354 K359 H360F351-A356 HydrophobicContact CB-CB 4.14Å; F351-A356 HydrophobicContact CD1-CB 3.71Å; F351-A356 HydrophobicContact CG-CB 4.22Å; Q353-A356 WeakPolarHBondContact O-CB 3.21Å; Q353-A356 PolarHBondContact O-N 3.44Å; Q353-A356 VanDerWaalsContact O-N 3.13Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.92Å; A356-K359 PolarHBondContact O-N 3.22Å; A356-H360 WeakPolarHBondContact O-CB 3.44Å; A356-H360 PolarHBondContact O-N 2.87Å
357V87.4Confident84.9Confident12 Ų1286.8 Ų86.87%0.07346%0.457CS..Hα-helixtrans-61.7-48.1170.7-172.40000110.5Y342 C344 F351 Q353 K354 K359 H360 Q361Y342-V357 WeakPolarHBondContact O-CG2 3.47Å; C344-V357 HydrophobicContact CB-CG1 4.37Å; F351-V357 HydrophobicContact CB-CG2 3.82Å; F351-V357 HydrophobicContact CD2-CG2 3.78Å; F351-V357 HydrophobicContact CG-CG2 4.03Å; Q353-V357 PolarHBondContact O-N 3.36Å; K354-V357 PolarHBondContact O-N 3.39Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.38Å; V357-H360 CarbonylContact O-C 3.55Å; V357-H360 WeakPolarHBondContact O-CA 3.35Å; V357-H360 WeakPolarHBondContact O-CB 3.29Å; V357-H360 PolarHBondContact O-N 3.05Å; V357-Q361 HydrophobicContact CG1-CG 4.34Å; V357-Q361 WeakPolarHBondContact O-CG 3.42Å; V357-Q361 PolarHBondContact O-N 3.41Å
358A89.3Confident83.3Confident48 Ų4886.9 Ų86.940%0.39746%0.462SS..Hα-helixtrans-61-39.9179.100000112.3K354 W362K354-A358 PolarHBondContact O-N 3.48Å; A358-W362 PolarHBondContact O-NE1 3.23Å
359K88.5Confident81.7Confident165 Ų16596.4 Ų96.472%0.71748%0.483SS*.Hα-helixtrans-63.9-40.7170.9-76-176.8176.6-171.50112.2S355 A356 V357S355-K359 WeakPolarHBondContact O-CG 3.28Å; S355-K359 PolarHBondContact O-N 3.07Å; A356-K359 PolarHBondContact O-N 3.22Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.38Å
360H88.8Confident79.8Confident26 Ų2691.8 Ų91.812%0.1249%0.487CS..Hα-helixtrans-68.8-33.3178.5178.342.3000113.4C347 F351 A356 V357 W362 V363 H364C347-H360 PolarHBondContact SG-NE2 3.47Å; F351-H360 HydrophobicContact CE1-CB 4.16Å; F351-H360 HydrophobicContact CE2-CB 4.13Å; F351-H360 AromaticContact CE2-CD2 3.47Å; F351-H360 VanDerWaalsContact CE2-CD2 3.47Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.48Å; F351-H360 AromaticContact CE2-CG 4Å; F351-H360 HydrophobicContact CZ-CB 3.6Å; F351-H360 AromaticContact CZ-CD2 3.39Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.47Å; F351-H360 AromaticContact CZ-CG 3.5Å; A356-H360 WeakPolarHBondContact O-CB 3.44Å; A356-H360 PolarHBondContact O-N 2.87Å; V357-H360 CarbonylContact O-C 3.55Å; V357-H360 WeakPolarHBondContact O-CA 3.35Å; V357-H360 WeakPolarHBondContact O-CB 3.29Å; V357-H360 PolarHBondContact O-N 3.05Å; H360-W362 PolarHBondContact O-N 3.25Å; H360-W362 VanDerWaalsContact O-N 3.13Å; H360-V363 VanDerWaalsContact O-CB 3.26Å; H360-V363 WeakPolarHBondContact O-CB 3.42Å; H360-V363 WeakPolarHBondContact O-CG2 3.41Å; H360-V363 PolarHBondContact O-N 3.22Å; H360-H364 AromaticContact CD2-NE2 3.83Å; H360-H364 AromaticContact CE1-CE1 3.96Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 2.87Å; H360-H364 AromaticContact NE2-CE1 3.92Å; H360-H364 AromaticContact NE2-NE2 3.11Å; H360-H364 PolarHBondContact NE2-NE2 3.44Å; H360-H364 VanDerWaalsContact NE2-NE2 3.11Å
361Q87.8Confident77.6Confident75 Ų7593.2 Ų93.235%0.3550%0.501SS..Hα-helixtrans-60.5-22.5179.6-76.6173.4-64.200113.7V357 V363 H364 R365V357-Q361 HydrophobicContact CG1-CG 4.34Å; V357-Q361 WeakPolarHBondContact O-CG 3.42Å; V357-Q361 PolarHBondContact O-N 3.41Å; Q361-V363 PolarHBondContact O-N 2.91Å; Q361-H364 PolarHBondContact O-N 3.4Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; Q361-R365 PolarHBondContact O-N 3.07Å
362W87.6Confident75.7Confident157 Ų157103.2 Ų103.260%0.59554%0.537SS*.G310 helixtrans-64.4-26.7171-66.291.6000113.5A358 H360 H364 R365 A368A358-W362 PolarHBondContact O-NE1 3.23Å; H360-W362 PolarHBondContact O-N 3.25Å; H360-W362 VanDerWaalsContact O-N 3.13Å; W362-H364 PolarHBondContact O-N 3.49Å; W362-R365 VanDerWaalsContact CZ3-NH1 3.3Å; W362-R365 WeakPolarHBondContact O-CB 3.5Å; W362-R365 PolarHBondContact O-N 2.96Å; W362-A368 WeakPolarHBondContact O-CB 3.39Å
363V86.4Confident73.4Confident108 Ų108105 Ų10566%0.65556%0.556SS**G310 helixtrans-67.9-27.4175.4-174.30000111.3H360 Q361H360-V363 VanDerWaalsContact O-CB 3.26Å; H360-V363 WeakPolarHBondContact O-CB 3.42Å; H360-V363 WeakPolarHBondContact O-CG2 3.41Å; H360-V363 PolarHBondContact O-N 3.22Å; Q361-V363 PolarHBondContact O-N 2.91Å
364H84.3Confident71.2Confident59 Ų59112.3 Ų112.327%0.27358%0.58SS.*G310 helixtrans-92.45.5176.4-55.9-60000113.2Q346 C347 H360 Q361 W362 P366Q346-H364 HydrophobicContact CB-CB 4.48Å; C347-H364 PolarHBondContact SG-NE2 3.46Å; H360-H364 AromaticContact CD2-NE2 3.83Å; H360-H364 AromaticContact CE1-CE1 3.96Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 2.87Å; H360-H364 AromaticContact NE2-CE1 3.92Å; H360-H364 AromaticContact NE2-NE2 3.11Å; H360-H364 PolarHBondContact NE2-NE2 3.44Å; H360-H364 VanDerWaalsContact NE2-NE2 3.11Å; Q361-H364 PolarHBondContact O-N 3.4Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; W362-H364 PolarHBondContact O-N 3.49Å; H364-P366 WeakPolarHBondContact O-CD 3.36Å
365R80.9Confident69Low150 Ų150111.7 Ų111.757%0.56659%0.588SS**SBendtrans-84.4119.2178.1-174.2174.5179.8147.63109.6Q361 W362 G367 A368Q361-R365 PolarHBondContact O-N 3.07Å; W362-R365 VanDerWaalsContact CZ3-NH1 3.3Å; W362-R365 WeakPolarHBondContact O-CB 3.5Å; W362-R365 PolarHBondContact O-N 2.96Å; R365-G367 PolarHBondContact O-N 3Å; R365-A368 HydrophobicContact CB-CB 4.41Å; R365-A368 WeakPolarHBondContact O-CB 3.43Å; R365-A368 PolarHBondContact O-N 3.25Å
366P68.8Low66.8Low126 Ų126114.4 Ų114.482%0.81860%0.602SS**THydrogen-bonded Turntrans-54.2134.1175.5-26.235.6000111.4H364H364-P366 WeakPolarHBondContact O-CD 3.36Å
367G65.6Low64.2Low75 Ų75116.6 Ų116.677%0.77363%0.628SS**THydrogen-bonded Turntrans91.5-10.9-178.500000116.3R365 R369R365-G367 PolarHBondContact O-N 3Å; G367-R369 VanDerWaalsContact C-N 3.25Å; G367-R369 PolarHBondContact O-N 3.3Å
368A58.4Low61.5Low63 Ų63119.7 Ų119.752%0.52166%0.662SS.*  trans-74.865.1-179.600000113.7W362 R365 G370W362-A368 WeakPolarHBondContact O-CB 3.39Å; R365-A368 HydrophobicContact CB-CB 4.41Å; R365-A368 WeakPolarHBondContact O-CB 3.43Å; R365-A368 PolarHBondContact O-N 3.25Å; A368-G370 PolarHBondContact O-N 3.37Å
369R51.4Low58.7Low247 Ų247125 Ų12593%0.93268%0.683SS**  trans-74.2119.9176.3-77.4-169-78.2-157.1-3.1111.6G367G367-R369 VanDerWaalsContact C-N 3.25Å; G367-R369 PolarHBondContact O-N 3.3Å
370G48.7Very low56.1Low69 Ų69122.9 Ų122.971%0.71169%0.687SS**  trans112.375.114800000118.1A368A368-G370 PolarHBondContact O-N 3.37Å
371H41.2Very low53.5Low188 Ų188128.4 Ų128.487%0.8772%0.722SS**  trans-143.4102.2137.5-142.3-78.6000109.7G373H371-G373 VanDerWaalsContact C-N 3.29Å; H371-G373 PolarHBondContact O-N 3.3Å
372R44.1Very low50.7Low250 Ų250131.1 Ų131.194%0.94374%0.744SS**  trans-74.481.2179-80-173.1174-178.3-0.9110.3R374R372-R374 PolarHBondContact O-N 2.99Å
373G37Very low48Very low60 Ų60132 Ų13262%0.61976%0.759SS**  trans-61.8118.4159.500000109.1H371 V375H371-G373 VanDerWaalsContact C-N 3.29Å; H371-G373 PolarHBondContact O-N 3.3Å; G373-V375 PolarHBondContact O-N 3.15Å
374R37.1Very low45.2Very low237 Ų237133.4 Ų133.489%0.89477%0.768SS**  trans-66.393.2-176.6-170.3-173.5-162.9-168.76.7110.3R372 T376R372-R374 PolarHBondContact O-N 2.99Å; R374-T376 PolarHBondContact O-N 2.89Å
375V39.9Very low42.9Very low136 Ų136137 Ų13782%0.82480%0.797SS**  trans-75.5105.6170.3-178.40000108G373 G377G373-V375 PolarHBondContact O-N 3.15Å; V375-G377 PolarHBondContact O-N 2.95Å
376T42.2Very low40.4Very low118 Ų118133.4 Ų133.472%0.72481%0.806SS**PPolyproline II helixtrans-61.7119.9162.846.20000108.4R374 G378R374-T376 PolarHBondContact O-N 2.89Å; T376-G378 PolarHBondContact O-N 3.05Å
377G32.9Very low39Very low79 Ų79134 Ų13481%0.81481%0.81SS**PPolyproline II helixtrans-68.7123.8-177.700000111.7V375V375-G377 PolarHBondContact O-N 2.95Å
378G30.7Very low37.3Very low77 Ų77134 Ų13479%0.79481%0.81SS**PPolyproline II helixtrans-95.1119.2158.500000108.6T376T376-G378 PolarHBondContact O-N 3.05Å
379L30.5Very low35.8Very low160 Ų160138.6 Ų138.684%0.83883%0.826SS**PPolyproline II helixtrans-73.9151167.9-75.1167.6000109.8V381L379-V381 PolarHBondContact O-N 2.78Å
380P34.2Very low34.8Very low121 Ų121135.2 Ų135.279%0.78683%0.825SS**PPolyproline II helixtrans-72.4126.5176.330.1-33.2000110.4
381V33.3Very low33.9Very low142 Ų142140.3 Ų140.386%0.86183%0.83SS**PPolyproline II helixtrans-101.5130.5168.6-179.20000108.3L379L379-V381 PolarHBondContact O-N 2.78Å
382T29.4Very low34Very low131 Ų131135.9 Ų135.980%0.80482%0.818SS**PPolyproline II helixtrans-78.8155-178.942.10000112.4
383L30.2Very low33.5Very low175 Ų175130 Ų13092%0.91681%0.812SS**PPolyproline II helixtrans-75.3129.8-177.5-67.8163.5000112.7
384T28.8Very low33.1Very low139 Ų139134.1 Ų134.185%0.85383%0.825SS**  trans-141.8138.9148.547.60000109.6
385P35.4Very low32.7Very low135 Ų135126 Ų12688%0.87782%0.815SS**  trans-102.7147.717636.6-31.5000112.9
386G27.7Very low32.2Very low73 Ų73129.9 Ų129.975%0.75382%0.821SS**  trans-170.3139.2171.200000110.8
387P40.6Very low31.6Very low140 Ų140132.8 Ų132.891%0.90983%0.826SS**  trans-96.4163.1-171.337.7-35.9000114.1
388G28.9Very low31.4Very low74 Ų74137.2 Ų137.276%0.76383%0.831SS**  trans170.4120.716800000111.8
389D27.1Very low31.3Very low160 Ų160143.5 Ų143.586%0.85683%0.832SS**  trans-75145.3178.9-50.5-94.2000112.3
390L30.3Very low31.6Very low176 Ų176141.4 Ų141.492%0.92183%0.828SS**  trans177.9116.2143.6-99.4156.7000111.9
391E31.1Very low31.5Very low176 Ų176143.1 Ų143.182%0.82283%0.826SS**  trans-107.1164.5160.4-89.6-130.313500109.3
392P42.6Very low31.7Very low95 Ų95144.2 Ų144.262%0.61783%0.825SS**  cis-126.5-162.1-44.235.8-18.9000109.3
393P33Very low32Very low126 Ų126145.3 Ų145.382%0.81882%0.819SS**  -140.3154.6115.930.1-14.2000115.9
394V29.6Very low32.6Very low147 Ų147143.9 Ų143.989%0.89181%0.807SS**  trans-53.7152.2173.5-81.80000115.3
395G27.4Very low33.1Very low65 Ų65145.8 Ų145.867%0.6781%0.806SS**  trans131.676138.200000118
396F29.6Very low33.3Very low219 Ų219142.3 Ų142.396%0.96179%0.785SS**  trans-134.5140.3150.6-97.7-80.5000111.2
397Q29.5Very low33.8Very low178 Ų178145.2 Ų145.283%0.83282%0.815SS**PPolyproline II helixtrans-81.5137.7-165-67.8169.6-19.200112.5Y399Q397-Y399 PolarHBondContact O-N 2.89Å
398L28.7Very low33.4Very low173 Ų173145.5 Ų145.591%0.90681%0.81SS**PPolyproline II helixtrans-73.8116.7169.6-69.1167.1000109.8
399Y28.6Very low33.7Very low208 Ų208149.3 Ų149.382%0.81681%0.813SS**PPolyproline II helixtrans-76.3135.7154.5-85.4-99.9000108.3Q397 E401Q397-Y399 PolarHBondContact O-N 2.89Å; Y399-E401 PolarHBondContact O-N 3.3Å
400P37.4Very low34Very low117 Ų117148.7 Ų148.776%0.7681%0.81SS**PPolyproline II helixtrans-72.2120.2-175.527.8-33.6000111.3
401E32.2Very low34.3Very low157 Ų157147.1 Ų147.173%0.73480%0.804SS**PPolyproline II helixtrans-64137.2157.3-77.7-143.8144.500108.8Y399 F403Y399-E401 PolarHBondContact O-N 3.3Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 WeakPolarHBondContact O-CD2 3.36Å; E401-F403 PolarHBondContact O-N 3.09Å
402I36.6Very low34.5Very low164 Ų164145.3 Ų145.384%0.84180%0.803SS**  trans-7392.1178.8-57.3170.6000108Q404I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.31Å
403F37.1Very low33.9Very low155 Ų155148.6 Ų148.668%0.6882%0.815SS**  trans-62.793.2168.6-79.7-86.4000109E401 E405E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 WeakPolarHBondContact O-CD2 3.36Å; E401-F403 PolarHBondContact O-N 3.09Å; F403-E405 VanDerWaalsContact C-N 3.34Å; F403-E405 PolarHBondContact O-N 3.17Å
404Q43.4Very low34Very low144 Ų144150.2 Ų150.267%0.67382%0.815SS**  trans-69.895.3171.1-176173.171.200108.3I402I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.31Å
405E39.1Very low34.3Very low179 Ų179150.5 Ų150.584%0.83681%0.809SS**  trans-54148.5-179.6-59.7-168121.400111.9F403 G407F403-E405 VanDerWaalsContact C-N 3.34Å; F403-E405 PolarHBondContact O-N 3.17Å; E405-G407 PolarHBondContact O-N 3.24Å
406C39.1Very low34.9Very low63 Ų63157.6 Ų157.643%0.42682%0.82SS.*  trans-96.285.2-170.8-50.20000110.6C322C322-C406 HydrophobicContact CB-CB 4.07Å; C322-C406 WeakPolarHBondContact CB-SG 3.42Å; C322-C406 WeakPolarHBondContact SG-CB 3.33Å; C322-C406 CovalentContact SG-SG 2.03Å; C322-C406 PolarHBondContact SG-SG 3.09Å
407G37.5Very low35.4Very low134 Ų134152 Ų152100%1.38181%0.808SS**  trans-72.30158.500000112.8E405E405-G407 PolarHBondContact O-N 3.24Å

Retrieved 407 of 407 residues in 126.1 ms (Link to these results)