A0A5K4F793_SCHMA Loading...

tRNA-synt_2 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F793, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 293 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
1M75.9Confident89.5Confident192 Ų192140 Ų14095%0.94678%0.775SS**  0158.30-62.9-178.6-62.600107.8T3 G4M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.07Å; M1-G4 PolarHBondContact O-N 3.27Å
2P81.5Confident89.9Confident145 Ų145137.3 Ų137.394%0.94277%0.773SS**THydrogen-bonded Turntrans-53.2-28176.8-27.535.5000114G4P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 3.4Å
3T90Very high90.1Very high75 Ų75138.2 Ų138.246%0.4677%0.772SS.*THydrogen-bonded Turntrans-91.223.9177.358.40000113.4M1 E5 I6M1-T3 PolarHBondContact O-N 2.77Å; M1-T3 VanDerWaalsContact O-N 3.07Å; T3-E5 PolarHBondContact O-N 3.14Å; T3-I6 HydrophobicContact CG2-CD1 4.23Å; T3-I6 WeakPolarHBondContact O-CG1 3.49Å; T3-I6 PolarHBondContact O-N 3.43Å
4G90.8Very high90.4Very high63 Ų63140.6 Ų140.665%0.64977%0.774SS**THydrogen-bonded Turntrans-65-9.3-17100000115.8M1 P2M1-G4 PolarHBondContact O-N 3.27Å; P2-G4 VanDerWaalsContact C-N 3.32Å; P2-G4 PolarHBondContact O-N 3.4Å
5E92Very high90.5Very high194 Ų194138.3 Ų138.391%0.90776%0.759SS**THydrogen-bonded Turntrans-103-5.2-177.3-61.7177.5174.300113.4T3T3-E5 PolarHBondContact O-N 3.14Å
6I93Very high90.5Very high122 Ų122137.3 Ų137.363%0.62676%0.761SS**  trans-126.3141.8-174.859.5172000110.6T3T3-I6 HydrophobicContact CG2-CD1 4.23Å; T3-I6 WeakPolarHBondContact O-CG1 3.49Å; T3-I6 PolarHBondContact O-N 3.43Å
7E90.8Very high90.6Very high190 Ų190134.8 Ų134.889%0.88876%0.755SS**  trans-125.5145.9173.1-64.8-173.5161.900109.2
8I90Very high90.6Very high163 Ų163136.4 Ų136.484%0.83676%0.755SS**  trans-100.7119.4174.7-62.4174.4000107.2A10I8-A10 PolarHBondContact O-N 3.49Å
9V93.4Very high90.3Very high134 Ų134134.4 Ų134.481%0.81275%0.752SS**  trans-80.9110.5168.8-177.60000107.6
10A92.3Very high90.1Very high65 Ų65132.2 Ų132.254%0.53775%0.746SS.*  trans-77124.3-179.100000110.9I8 I13I8-A10 PolarHBondContact O-N 3.49Å; A10-I13 HydrophobicContact CB-CG1 4.32Å
11E95Very high90.1Very high197 Ų197132.1 Ų132.192%0.92175%0.751SS**SBendtrans-84.8-31.4172.8-66-177.6172.200112.3
12S94.5Very high90.7Very high107 Ų107125.9 Ų125.975%0.74872%0.721SS**  trans-152.6155.4176.763.80000110.6
13I92.4Very high91.1Very high149 Ų149121.5 Ų121.576%0.76469%0.694SS**  trans-132.8123.3176.1-61.1176000107.6A10A10-I13 HydrophobicContact CB-CG1 4.32Å
14E93.8Very high91.2Very high172 Ų172118.7 Ų118.780%0.80468%0.675SS**  trans-114.7135.2173.7-171.9-179.717300109.2P16E14-P16 VanDerWaalsContact O-CD 3.3Å; E14-P16 WeakPolarHBondContact O-CD 3.13Å
15I91.9Very high91.2Very high107 Ų107119.6 Ų119.655%0.54967%0.665SS.*  trans-104.1101176-59.2174.8000107.6S17I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 WeakPolarHBondContact CG2-O 3.47Å; I15-S17 PolarHBondContact O-N 2.84Å
16P90.9Very high91.2Very high121 Ų121112 Ų11279%0.78663%0.633SS**SBendtrans-70.4-22.8-175.126.4-34.6000113E14E14-P16 VanDerWaalsContact O-CD 3.3Å; E14-P16 WeakPolarHBondContact O-CD 3.13Å
17S92.2Very high91.1Very high95 Ų95113.9 Ų113.966%0.66464%0.636SS**  trans-161.3144.4175.858.10000111.9I15I15-S17 VanDerWaalsContact C-N 3.26Å; I15-S17 WeakPolarHBondContact CG2-O 3.47Å; I15-S17 PolarHBondContact O-N 2.84Å
18H90.2Very high91.2Very high164 Ų164107.8 Ų107.876%0.75961%0.61SS**PPolyproline II helixtrans-90.8134.6170.9-66.5-78.8000110.3
19S85.4Confident91.2Very high98 Ų98100.2 Ų100.269%0.68557%0.571SS**PPolyproline II helixtrans-86.8145173.461.10000111.5
20S87Confident91Very high90 Ų9098.1 Ų98.163%0.62957%0.568SS**PPolyproline II helixtrans-63.5158.8161.352.30000111.1L22S20-L22 PolarHBondContact O-N 3.05Å; S20-L22 VanDerWaalsContact O-N 3.17Å
21P88.6Confident91Very high131 Ų131101.9 Ų101.985%0.85158%0.579SS**PPolyproline II helixtrans-52.6123.3174-26.534.9000111.1
22L89.3Confident90.9Very high61 Ų6193.8 Ų93.832%0.31954%0.543SS..PPolyproline II helixtrans-79.5141.4178.5-61.3177.7000109.6S20 F24 L25 I43S20-L22 PolarHBondContact O-N 3.05Å; S20-L22 VanDerWaalsContact O-N 3.17Å; L22-F24 WeakPolarHBondContact CB-O 3.41Å; L22-F24 PolarHBondContact O-N 3.02Å; L22-L25 HydrophobicContact CD1-CD2 4.45Å; L22-I43 HydrophobicContact CB-CD1 4.13Å; L22-I43 HydrophobicContact CD2-CD1 3.86Å; L22-I43 HydrophobicContact CD2-CG1 4.36Å; L22-I43 HydrophobicContact CG-CD1 4.48Å
23S89.4Confident90.8Very high54 Ų5493.2 Ų93.238%0.37853%0.531SS..SBendtrans-60.1-33.7175.9-55.70000112.6Y40S23-Y40 WeakPolarHBondContact OG-CE1 3.44Å; S23-Y40 WeakPolarHBondContact OG-CE2 3.41Å
24F92.3Very high90.8Very high16 Ų1692.3 Ų92.37%0.0752%0.524CS..SBendtrans-150.9158.5170.358.1-90.3000109.9L22 A29 V32 E36 R37 Y40 I43 D44L22-F24 WeakPolarHBondContact CB-O 3.41Å; L22-F24 PolarHBondContact O-N 3.02Å; F24-A29 HydrophobicContact CD2-CB 4.14Å; F24-A29 HydrophobicContact CE2-CB 3.84Å; F24-V32 HydrophobicContact CB-CG2 3.7Å; F24-V32 HydrophobicContact CD1-CG1 3.93Å; F24-V32 HydrophobicContact CD1-CG2 4.17Å; F24-V32 HydrophobicContact CD2-CG2 4.14Å; F24-V32 HydrophobicContact CE1-CG1 4.17Å; F24-V32 HydrophobicContact CG-CG1 4.36Å; F24-V32 HydrophobicContact CG-CG2 3.77Å; F24-E36 HydrophobicContact CD1-CG 4.26Å; F24-E36 HydrophobicContact CE1-CG 4.25Å; F24-R37 HydrophobicContact CZ-CG 4.39Å; F24-Y40 HydrophobicContact CE1-CD2 4.28Å; F24-Y40 HydrophobicContact CE1-CG 4.46Å; F24-I43 HydrophobicContact CD2-CG2 3.82Å; F24-I43 HydrophobicContact CE2-CB 3.91Å; F24-I43 HydrophobicContact CE2-CG2 3.46Å; F24-I43 VanDerWaalsContact CE2-CG2 3.46Å; F24-I43 HydrophobicContact CZ-CB 3.89Å; F24-I43 HydrophobicContact CZ-CG2 3.95Å; F24-I43 WeakPolarHBondContact O-CG2 3.27Å; F24-D44 HydrophobicContact CE2-CB 4.5Å; F24-D44 HydrophobicContact CZ-CB 4.25Å
25L91.7Very high90.6Very high81 Ų8190.8 Ų90.842%0.42452%0.519SS..  trans-83.7145.4173.5-60173000109.9L22 K27 D28 A29L22-L25 HydrophobicContact CD1-CD2 4.45Å; L25-K27 HydrophobicContact CB-CG 3.88Å; L25-K27 PolarHBondContact O-N 3.05Å; L25-D28 WeakPolarHBondContact CB-OD2 3.2Å; L25-D28 PolarHBondContact O-N 3.43Å; L25-A29 PolarHBondContact O-N 2.84Å
26P91.6Very high90.6Very high36 Ų3689.2 Ų89.223%0.23451%0.509CS..THydrogen-bonded Turntrans-54.9-28.1179.7-28.134.6000115.1D28 A29 I43 R46 S47P26-D28 VanDerWaalsContact C-N 3.33Å; P26-A29 WeakPolarHBondContact O-CB 3.45Å; P26-I43 HydrophobicContact CG-CG2 3.98Å; P26-R46 HydrophobicContact CB-CB 4.08Å; P26-R46 HydrophobicContact CG-CB 4.03Å; P26-S47 VanDerWaalsContact O-CB 3.26Å; P26-S47 WeakPolarHBondContact O-CB 3.37Å
27K91.3Very high90.6Very high160 Ų16086.6 Ų86.670%0.69648%0.483SS*.THydrogen-bonded Turntrans-69.2-29.5175.654.5167.1-175.5177.60113.3L25L25-K27 HydrophobicContact CB-CG 3.88Å; L25-K27 PolarHBondContact O-N 3.05Å
28D92.2Very high90.4Very high63 Ų6386.8 Ų86.834%0.33748%0.476SS..THydrogen-bonded Turntrans-95.8-1.3-174.8-55.2-39.6000111.7L25 P26 A30 N31L25-D28 WeakPolarHBondContact CB-OD2 3.2Å; L25-D28 PolarHBondContact O-N 3.43Å; P26-D28 VanDerWaalsContact C-N 3.33Å; D28-A30 PolarHBondContact O-N 3.4Å; D28-N31 WeakPolarHBondContact O-CB 3.48Å; D28-N31 PolarHBondContact O-N 3.48Å
29A90.4Very high90.3Very high3 Ų386.1 Ų86.13%0.02547%0.471CS..G310 helixtrans-53.9-28.8-176.300000113.8F24 L25 P26 N31 V32 R37F24-A29 HydrophobicContact CD2-CB 4.14Å; F24-A29 HydrophobicContact CE2-CB 3.84Å; L25-A29 PolarHBondContact O-N 2.84Å; P26-A29 WeakPolarHBondContact O-CB 3.45Å; A29-N31 PolarHBondContact O-N 2.78Å; A29-V32 PolarHBondContact O-N 3.21Å; A29-R37 VanDerWaalsContact O-CD 3.26Å; A29-R37 WeakPolarHBondContact O-CD 3.42Å
30A89.1Confident90.5Very high90 Ų9084 Ų8474%0.74445%0.449SS*.G310 helixtrans-66-24.7176.700000113.6D28D28-A30 PolarHBondContact O-N 3.4Å
31N92.3Very high90.6Very high145 Ų14584.2 Ų84.278%0.77544%0.436SS*.G310 helixtrans-95.20.7-178.1-58.7-28.3000112.7D28 A29D28-N31 WeakPolarHBondContact O-CB 3.48Å; D28-N31 PolarHBondContact O-N 3.48Å; A29-N31 PolarHBondContact O-N 2.78Å
32V91.7Very high90.5Very high26 Ų2684.1 Ų84.116%0.15842%0.419CS..SBendtrans-98.8140.7-175.7179.90000109.9F24 A29 E36 R37F24-V32 HydrophobicContact CB-CG2 3.7Å; F24-V32 HydrophobicContact CD1-CG1 3.93Å; F24-V32 HydrophobicContact CD1-CG2 4.17Å; F24-V32 HydrophobicContact CD2-CG2 4.14Å; F24-V32 HydrophobicContact CE1-CG1 4.17Å; F24-V32 HydrophobicContact CG-CG1 4.36Å; F24-V32 HydrophobicContact CG-CG2 3.77Å; A29-V32 PolarHBondContact O-N 3.21Å; V32-E36 HydrophobicContact CG1-CB 3.71Å; V32-E36 HydrophobicContact CG1-CG 3.75Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.36Å; V32-R37 HydrophobicContact CB-CG 3.97Å; V32-R37 HydrophobicContact CG1-CG 3.93Å; V32-R37 WeakPolarHBondContact O-CD 3.33Å
33N93.6Very high90.6Very high95 Ų9581.2 Ų81.251%0.50840%0.404SS..  trans-56.7139.8175.5-179.9-6.1000110.9M35 E36 R37N33-M35 VanDerWaalsContact C-N 3.26Å; N33-M35 PolarHBondContact O-N 3.21Å; N33-M35 PolarHBondContact OD1-N 3.32Å; N33-E36 PolarHBondContact O-N 3.45Å; N33-R37 PolarHBondContact O-N 3.5Å
34E91.2Very high90.6Very high130 Ų13078.7 Ų78.761%0.60739%0.386SS*.Hα-helixtrans-50-42.6176.8-175.5174.9-171.300113.4E36 R37 L38E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E34-R37 PolarHBondContact O-N 2.91Å; E34-L38 HydrophobicContact CG-CD1 3.93Å; E34-L38 HydrophobicContact CG-CG 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.84Å
35M91.5Very high90.6Very high141 Ų14180.4 Ų80.470%0.69540%0.396SS*.Hα-helixtrans-58.1-40.3178.6-71.2-165.8-71.600112.3N33 K39N33-M35 VanDerWaalsContact C-N 3.26Å; N33-M35 PolarHBondContact O-N 3.21Å; N33-M35 PolarHBondContact OD1-N 3.32Å; M35-K39 WeakPolarHBondContact O-CB 3.45Å; M35-K39 PolarHBondContact O-N 2.83Å
36E90.6Very high90.5Very high74 Ų7484.1 Ų84.135%0.34640%0.404SS..Hα-helixtrans-74.4-38.3178.8-175.6171.9-165.400111.3F24 V32 N33 E34 L38 K39 Y40F24-E36 HydrophobicContact CD1-CG 4.26Å; F24-E36 HydrophobicContact CE1-CG 4.25Å; V32-E36 HydrophobicContact CG1-CB 3.71Å; V32-E36 HydrophobicContact CG1-CG 3.75Å; V32-E36 WeakPolarHBondContact CG1-OE2 3.36Å; N33-E36 PolarHBondContact O-N 3.45Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.41Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.87Å; E36-K39 PolarHBondContact O-N 2.88Å; E36-Y40 HydrophobicContact CG-CD2 3.89Å; E36-Y40 HydrophobicContact CG-CE2 4.14Å; E36-Y40 WeakPolarHBondContact O-CD2 3.47Å; E36-Y40 PolarHBondContact O-N 3.34Å
37R90.9Very high90.6Very high66 Ų6682.8 Ų82.825%0.24940%0.396CS..Hα-helixtrans-61.5-39.4172.9-66.7173.964-150.5-7.5112.5F24 A29 V32 N33 E34 Y40 R41 D44F24-R37 HydrophobicContact CZ-CG 4.39Å; A29-R37 VanDerWaalsContact O-CD 3.26Å; A29-R37 WeakPolarHBondContact O-CD 3.42Å; V32-R37 HydrophobicContact CB-CG 3.97Å; V32-R37 HydrophobicContact CG1-CG 3.93Å; V32-R37 WeakPolarHBondContact O-CD 3.33Å; N33-R37 PolarHBondContact O-N 3.5Å; E34-R37 PolarHBondContact O-N 2.91Å; R37-Y40 CarbonylContact O-C 3.23Å; R37-Y40 VanDerWaalsContact O-C 3.23Å; R37-R41 WeakPolarHBondContact O-CA 3.38Å; R37-R41 PolarHBondContact O-N 2.83Å; R37-D44 HydrophobicContact CB-CB 4.26Å; R37-D44 IonicContact CZ-OD1 3.11Å; R37-D44 IonicContact CZ-OD2 3.34Å; R37-D44 IonicContact NE-OD1 2.93Å; R37-D44 PolarHBondContact NE-OD1 3.01Å; R37-D44 IonicContact NE-OD2 2.91Å; R37-D44 IonicContact NH2-OD1 3.68Å; R37-D44 PolarHBondContact NH2-OD1 2.85Å; R37-D44 IonicContact NH2-OD2 2.89Å; R37-D44 PolarHBondContact NH2-OD2 3.25Å; R37-D44 VanDerWaalsContact NH2-OD2 3.13Å
38L87.8Confident90.6Very high98 Ų9879.5 Ų79.551%0.51339%0.393SS..Hα-helixtrans-71.5-40.7176.3-70.4175.6000111.5E34 E36 Y40 R41E34-L38 HydrophobicContact CG-CD1 3.93Å; E34-L38 HydrophobicContact CG-CG 4.18Å; E34-L38 WeakPolarHBondContact O-CB 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.3Å; E34-L38 PolarHBondContact O-N 2.84Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.87Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.34Å; L38-R41 WeakPolarHBondContact O-CB 3.12Å; L38-R41 PolarHBondContact O-N 2.8Å
39K88.1Confident90.5Very high150 Ų15079.2 Ų79.265%0.65240%0.396SS*.Hα-helixtrans-59.4-42.5174.4-175.2-179.4178.1-168.70111.6M35 E36M35-K39 WeakPolarHBondContact O-CB 3.45Å; M35-K39 PolarHBondContact O-N 2.83Å; E36-K39 PolarHBondContact O-N 2.88Å
40Y89.2Confident90.6Very high54 Ų5480.1 Ų80.121%0.21240%0.4CS..THydrogen-bonded Turntrans-108.846.2178.1-56.5-75.6000111.9S23 F24 E36 R37 L38 Y42 I43 D44S23-Y40 WeakPolarHBondContact OG-CE1 3.44Å; S23-Y40 WeakPolarHBondContact OG-CE2 3.41Å; F24-Y40 HydrophobicContact CE1-CD2 4.28Å; F24-Y40 HydrophobicContact CE1-CG 4.46Å; E36-Y40 HydrophobicContact CG-CD2 3.89Å; E36-Y40 HydrophobicContact CG-CE2 4.14Å; E36-Y40 WeakPolarHBondContact O-CD2 3.47Å; E36-Y40 PolarHBondContact O-N 3.34Å; R37-Y40 CarbonylContact O-C 3.23Å; R37-Y40 VanDerWaalsContact O-C 3.23Å; L38-Y40 VanDerWaalsContact C-N 3.31Å; L38-Y40 PolarHBondContact O-N 3.34Å; Y40-Y42 AromaticContact CD1-CE1 3.9Å; Y40-Y42 HydrophobicContact CD1-CE1 3.9Å; Y40-Y42 WeakPolarHBondContact CD1-OH 3.31Å; Y40-Y42 PolarHBondContact O-N 2.93Å; Y40-Y42 VanDerWaalsContact O-N 3.09Å; Y40-I43 HydrophobicContact CG-CD1 4.42Å; Y40-I43 WeakPolarHBondContact O-CB 3.2Å; Y40-I43 PolarHBondContact O-N 2.9Å; Y40-D44 PolarHBondContact O-N 3Å
41R89.3Confident90.7Very high95 Ų9578.5 Ų78.536%0.35838%0.377SS..Hα-helixtrans-56.3-31.9-174.6-172.958173.9-171-7.4113.4R37 L38 I43 D44 L45R37-R41 WeakPolarHBondContact O-CA 3.38Å; R37-R41 PolarHBondContact O-N 2.83Å; L38-R41 WeakPolarHBondContact O-CB 3.12Å; L38-R41 PolarHBondContact O-N 2.8Å; R41-I43 PolarHBondContact O-N 2.95Å; R41-D44 IonicContact CZ-OD2 3.13Å; R41-D44 IonicContact NH1-OD2 3.59Å; R41-D44 PolarHBondContact NH1-OD2 3.25Å; R41-D44 PolarHBondContact O-N 2.84Å; R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 HydrophobicContact CG-CG 4.04Å; R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CG 3.09Å; R41-L45 PolarHBondContact O-N 2.73Å
42Y87.8Confident90.7Very high128 Ų12879.3 Ų79.350%0.50237%0.369SS..Hα-helixtrans-62.4-24.6175.866.1-89.5000113.7Y40 R46Y40-Y42 AromaticContact CD1-CE1 3.9Å; Y40-Y42 HydrophobicContact CD1-CE1 3.9Å; Y40-Y42 WeakPolarHBondContact CD1-OH 3.31Å; Y40-Y42 PolarHBondContact O-N 2.93Å; Y40-Y42 VanDerWaalsContact O-N 3.09Å; Y42-R46 WeakPolarHBondContact O-CG 3.48Å
43I90.6Very high90.8Very high1 Ų182.1 Ų82.11%0.00538%0.383CS..Hα-helixtrans-82.5-48.4171.9-53.4-179.1000109.7L22 F24 P26 Y40 R41 L45 R46L22-I43 HydrophobicContact CB-CD1 4.13Å; L22-I43 HydrophobicContact CD2-CD1 3.86Å; L22-I43 HydrophobicContact CD2-CG1 4.36Å; L22-I43 HydrophobicContact CG-CD1 4.48Å; F24-I43 HydrophobicContact CD2-CG2 3.82Å; F24-I43 HydrophobicContact CE2-CB 3.91Å; F24-I43 HydrophobicContact CE2-CG2 3.46Å; F24-I43 VanDerWaalsContact CE2-CG2 3.46Å; F24-I43 HydrophobicContact CZ-CB 3.89Å; F24-I43 HydrophobicContact CZ-CG2 3.95Å; F24-I43 WeakPolarHBondContact O-CG2 3.27Å; P26-I43 HydrophobicContact CG-CG2 3.98Å; Y40-I43 HydrophobicContact CG-CD1 4.42Å; Y40-I43 WeakPolarHBondContact O-CB 3.2Å; Y40-I43 PolarHBondContact O-N 2.9Å; R41-I43 PolarHBondContact O-N 2.95Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.08Å; I43-R46 VanDerWaalsContact O-CB 3.31Å; I43-R46 WeakPolarHBondContact O-CB 3.5Å; I43-R46 PolarHBondContact O-N 3.3Å
44D90.5Very high90.7Very high0 Ų078.5 Ų78.50%036%0.363CS..Hα-helixtrans-59.8-37.7-178.4-177.947000112.5F24 R37 Y40 R41 R46 S47 M50F24-D44 HydrophobicContact CE2-CB 4.5Å; F24-D44 HydrophobicContact CZ-CB 4.25Å; R37-D44 HydrophobicContact CB-CB 4.26Å; R37-D44 IonicContact CZ-OD1 3.11Å; R37-D44 IonicContact CZ-OD2 3.34Å; R37-D44 IonicContact NE-OD1 2.93Å; R37-D44 PolarHBondContact NE-OD1 3.01Å; R37-D44 IonicContact NE-OD2 2.91Å; R37-D44 IonicContact NH2-OD1 3.68Å; R37-D44 PolarHBondContact NH2-OD1 2.85Å; R37-D44 IonicContact NH2-OD2 2.89Å; R37-D44 PolarHBondContact NH2-OD2 3.25Å; R37-D44 VanDerWaalsContact NH2-OD2 3.13Å; Y40-D44 PolarHBondContact O-N 3Å; R41-D44 IonicContact CZ-OD2 3.13Å; R41-D44 IonicContact NH1-OD2 3.59Å; R41-D44 PolarHBondContact NH1-OD2 3.25Å; R41-D44 PolarHBondContact O-N 2.84Å; D44-R46 PolarHBondContact O-N 3.09Å; D44-R46 VanDerWaalsContact O-N 3.15Å; D44-S47 VanDerWaalsContact O-CB 3.31Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.82Å; D44-S47 PolarHBondContact O-OG 3.32Å; D44-M50 WeakPolarHBondContact O-CB 3.28Å; D44-M50 VanDerWaalsContact O-CG 3.29Å; D44-M50 WeakPolarHBondContact O-CG 3.42Å
45L90.4Very high90.8Very high52 Ų5279 Ų7927%0.27236%0.36SS..THydrogen-bonded Turntrans-60.3-21.8174.3-71.5171.6000112.9R41 I43 M50 Q51 I54R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 HydrophobicContact CG-CG 4.04Å; R41-L45 WeakPolarHBondContact O-CB 3.41Å; R41-L45 WeakPolarHBondContact O-CG 3.09Å; R41-L45 PolarHBondContact O-N 2.73Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.08Å; L45-M50 HydrophobicContact CD2-CE 4.31Å; L45-Q51 WeakPolarHBondContact O-CG 3.26Å; L45-Q51 PolarHBondContact O-NE2 2.69Å; L45-I54 HydrophobicContact CD2-CD1 3.57Å
46R91.3Very high91Very high160 Ų16078.6 Ų78.660%0.60435%0.354SS*.THydrogen-bonded Turntrans-84.6-10.2176.8-59.6176.3-178.6-170.1-2.6113.2P26 Y42 I43 D44P26-R46 HydrophobicContact CB-CB 4.08Å; P26-R46 HydrophobicContact CG-CB 4.03Å; Y42-R46 WeakPolarHBondContact O-CG 3.48Å; I43-R46 VanDerWaalsContact O-CB 3.31Å; I43-R46 WeakPolarHBondContact O-CB 3.5Å; I43-R46 PolarHBondContact O-N 3.3Å; D44-R46 PolarHBondContact O-N 3.09Å; D44-R46 VanDerWaalsContact O-N 3.15Å
47S92.4Very high91.1Very high8 Ų881.7 Ų81.76%0.05636%0.363CS..SBendtrans-61.5146.7177.468.70000110.7P26 D44 S49 M50 Q51P26-S47 VanDerWaalsContact O-CB 3.26Å; P26-S47 WeakPolarHBondContact O-CB 3.37Å; D44-S47 VanDerWaalsContact O-CB 3.31Å; D44-S47 WeakPolarHBondContact O-CB 3.46Å; D44-S47 PolarHBondContact O-N 2.82Å; D44-S47 PolarHBondContact O-OG 3.32Å; S47-S49 PolarHBondContact O-N 3.43Å; S47-M50 PolarHBondContact O-N 2.8Å; S47-M50 VanDerWaalsContact O-N 3.16Å; S47-M50 VanDerWaalsContact OG-CB 3.28Å; S47-M50 WeakPolarHBondContact OG-CB 3.33Å; S47-M50 VanDerWaalsContact OG-CG 3.31Å; S47-M50 WeakPolarHBondContact OG-CG 3.25Å; S47-M50 PolarHBondContact OG-N 3.08Å; S47-Q51 WeakPolarHBondContact O-CB 3.39Å; S47-Q51 WeakPolarHBondContact O-CG 3.18Å; S47-Q51 PolarHBondContact O-N 3.03Å
48S91.5Very high91.3Very high90 Ų9079 Ų7963%0.62935%0.354SS*.Hα-helixtrans-59.7-33.1179.858.90000112.3R52S48-R52 WeakPolarHBondContact O-CB 3.29Å; S48-R52 VanDerWaalsContact O-CG 3.28Å; S48-R52 WeakPolarHBondContact O-CG 2.86Å; S48-R52 PolarHBondContact O-N 2.84Å; S48-R52 PolarHBondContact O-NE 2.99Å
49S91.1Very high91.5Very high57 Ų5776.7 Ų76.740%0.39935%0.346SS..Hα-helixtrans-65.2-52173.8-167.20000111.6S47 R52 N53S47-S49 PolarHBondContact O-N 3.43Å; S49-R52 PolarHBondContact O-N 3.34Å; S49-N53 VanDerWaalsContact O-CG 3.31Å; S49-N53 PolarHBondContact O-N 2.93Å
50M91Very high91.8Very high23 Ų2372.5 Ų72.511%0.11333%0.33CS..Hα-helixtrans-66.1-40.9-179.9-74.2-54-46.200112.9D44 L45 S47 R52 N53 I54D44-M50 WeakPolarHBondContact O-CB 3.28Å; D44-M50 VanDerWaalsContact O-CG 3.29Å; D44-M50 WeakPolarHBondContact O-CG 3.42Å; L45-M50 HydrophobicContact CD2-CE 4.31Å; S47-M50 PolarHBondContact O-N 2.8Å; S47-M50 VanDerWaalsContact O-N 3.16Å; S47-M50 VanDerWaalsContact OG-CB 3.28Å; S47-M50 WeakPolarHBondContact OG-CB 3.33Å; S47-M50 VanDerWaalsContact OG-CG 3.31Å; S47-M50 WeakPolarHBondContact OG-CG 3.25Å; S47-M50 PolarHBondContact OG-N 3.08Å; M50-R52 VanDerWaalsContact C-N 3.31Å; M50-R52 PolarHBondContact O-N 2.79Å; M50-N53 PolarHBondContact O-N 2.91Å; M50-N53 VanDerWaalsContact O-N 3.15Å; M50-I54 HydrophobicContact CB-CD1 4.5Å; M50-I54 HydrophobicContact CE-CD1 4.43Å; M50-I54 HydrophobicContact CE-CG1 4.31Å; M50-I54 WeakPolarHBondContact O-CB 3.35Å; M50-I54 WeakPolarHBondContact O-CD1 3.44Å; M50-I54 WeakPolarHBondContact O-CG1 3.5Å; M50-I54 PolarHBondContact O-N 2.79Å
51Q92.9Very high92Very high56 Ų5671.5 Ų71.526%0.26233%0.328SS..Hα-helixtrans-59.3-42.1176-75.4-68.3-45.700111.9L45 S47 R55L45-Q51 WeakPolarHBondContact O-CG 3.26Å; L45-Q51 PolarHBondContact O-NE2 2.69Å; S47-Q51 WeakPolarHBondContact O-CB 3.39Å; S47-Q51 WeakPolarHBondContact O-CG 3.18Å; S47-Q51 PolarHBondContact O-N 3.03Å; Q51-R55 WeakPolarHBondContact O-CB 3.39Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.33Å; Q51-R55 PolarHBondContact O-N 2.91Å
52R92.3Very high92.2Very high162 Ų16267.6 Ų67.661%0.61132%0.315SS*.Hα-helixtrans-61-47.2173.2-76.9-174.9-63.7159.80.6111.5S48 S49 M50 I54 R55 F56S48-R52 WeakPolarHBondContact O-CB 3.29Å; S48-R52 VanDerWaalsContact O-CG 3.28Å; S48-R52 WeakPolarHBondContact O-CG 2.86Å; S48-R52 PolarHBondContact O-N 2.84Å; S48-R52 PolarHBondContact O-NE 2.99Å; S49-R52 PolarHBondContact O-N 3.34Å; M50-R52 VanDerWaalsContact C-N 3.31Å; M50-R52 PolarHBondContact O-N 2.79Å; R52-I54 PolarHBondContact O-N 2.89Å; R52-R55 PolarHBondContact O-N 2.78Å; R52-F56 VanDerWaalsContact O-CB 3.26Å; R52-F56 WeakPolarHBondContact O-CB 3.48Å; R52-F56 PolarHBondContact O-N 2.84Å
53N92.7Very high92.4Very high85 Ų8567.9 Ų67.946%0.45532%0.321SS..Hα-helixtrans-62.3-42.8-179.6-68.2-13.5000112.5S49 M50 F56 R57S49-N53 VanDerWaalsContact O-CG 3.31Å; S49-N53 PolarHBondContact O-N 2.93Å; M50-N53 PolarHBondContact O-N 2.91Å; M50-N53 VanDerWaalsContact O-N 3.15Å; N53-F56 PolarHBondContact O-N 2.7Å; N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 2.85Å
54I92.4Very high92.6Very high18 Ų1873 Ų739%0.09235%0.345CS..Hα-helixtrans-66.5-45.6-179.9-65161000110.6L45 M50 R52 F56 R57 S58 T276 I278L45-I54 HydrophobicContact CD2-CD1 3.57Å; M50-I54 HydrophobicContact CB-CD1 4.5Å; M50-I54 HydrophobicContact CE-CD1 4.43Å; M50-I54 HydrophobicContact CE-CG1 4.31Å; M50-I54 WeakPolarHBondContact O-CB 3.35Å; M50-I54 WeakPolarHBondContact O-CD1 3.44Å; M50-I54 WeakPolarHBondContact O-CG1 3.5Å; M50-I54 PolarHBondContact O-N 2.79Å; R52-I54 PolarHBondContact O-N 2.89Å; I54-F56 PolarHBondContact O-N 3.47Å; I54-R57 PolarHBondContact O-N 2.82Å; I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.6Å; I54-T276 HydrophobicContact CG2-CG2 3.73Å; I54-I278 HydrophobicContact CG2-CB 4.39Å; I54-I278 HydrophobicContact CG2-CD1 3.74Å; I54-I278 HydrophobicContact CG2-CG1 3.54Å; I54-I278 HydrophobicContact CG2-CG2 4.3Å
55R93.7Very high92.7Very high140 Ų14074.3 Ų74.353%0.52835%0.35SS..Hα-helixtrans-62-43.9176.4-71.3175.7-166.6160.35.8111.9Q51 R52 S58 S59 T276Q51-R55 WeakPolarHBondContact O-CB 3.39Å; Q51-R55 VanDerWaalsContact O-CG 3.28Å; Q51-R55 WeakPolarHBondContact O-CG 3.33Å; Q51-R55 PolarHBondContact O-N 2.91Å; R52-R55 PolarHBondContact O-N 2.78Å; R55-S58 PolarHBondContact O-N 3.41Å; R55-S59 PolarHBondContact O-N 3.02Å; R55-T276 HydrophobicContact CG-CG2 4.03Å
56F94Very high92.7Very high133 Ų13372.7 Ų72.758%0.58334%0.342SS*.Hα-helixtrans-64.1-44.4177.3-176.4-115.2000112.1R52 N53 I54 S59 I60R52-F56 VanDerWaalsContact O-CB 3.26Å; R52-F56 WeakPolarHBondContact O-CB 3.48Å; R52-F56 PolarHBondContact O-N 2.84Å; N53-F56 PolarHBondContact O-N 2.7Å; I54-F56 PolarHBondContact O-N 3.47Å; F56-S59 PolarHBondContact O-N 2.91Å; F56-S59 PolarHBondContact O-OG 2.88Å; F56-S59 VanDerWaalsContact O-OG 3.06Å; F56-I60 HydrophobicContact CD1-CD1 3.68Å; F56-I60 HydrophobicContact CD2-CD1 4.27Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.42Å; F56-I60 HydrophobicContact CE2-CD1 3.88Å; F56-I60 HydrophobicContact CE2-CG1 4.3Å; F56-I60 HydrophobicContact CG-CD1 4.19Å; F56-I60 HydrophobicContact CZ-CD1 3.36Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 WeakPolarHBondContact O-CG1 3.27Å; F56-I60 PolarHBondContact O-N 3.4Å
57R94Very high92.8Very high140 Ų14070.6 Ų70.653%0.52834%0.338SS..Hα-helixtrans-59.3-48.5174.1179.1-179.9176.384.4-0.9111N53 I54 S59 I60 I61 E279N53-R57 VanDerWaalsContact O-CB 3.29Å; N53-R57 WeakPolarHBondContact O-CB 3.47Å; N53-R57 PolarHBondContact O-N 2.85Å; I54-R57 PolarHBondContact O-N 2.82Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.05Å; R57-I60 PolarHBondContact O-N 3.37Å; R57-I61 HydrophobicContact CG-CD1 3.64Å; R57-I61 HydrophobicContact CG-CG1 4.33Å; R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.8Å; R57-E279 IonicContact CZ-OE2 3.55Å; R57-E279 IonicContact NE-OE2 3.96Å; R57-E279 IonicContact NH2-OE1 3.77Å; R57-E279 IonicContact NH2-OE2 3.73Å; R57-E279 PolarHBondContact NH2-OE2 3.25Å
58S93.6Very high92.7Very high8 Ų873.4 Ų73.46%0.05635%0.352CS..Hα-helixtrans-59.2-43178.8-179.80000111.6I54 R55 I61 L62 E277I54-S58 WeakPolarHBondContact O-CB 3.48Å; I54-S58 PolarHBondContact O-N 2.6Å; R55-S58 PolarHBondContact O-N 3.41Å; S58-I61 PolarHBondContact O-N 2.78Å; S58-L62 WeakPolarHBondContact O-CB 3.22Å; S58-L62 PolarHBondContact O-N 2.78Å; S58-E277 PolarHBondContact OG-N 3.11Å
59S93.2Very high92.6Very high51 Ų5170.2 Ų70.236%0.35733%0.329SS..Hα-helixtrans-66.2-43.7178.882.80000112.4R55 F56 R57 L62 Q63R55-S59 PolarHBondContact O-N 3.02Å; F56-S59 PolarHBondContact O-N 2.91Å; F56-S59 PolarHBondContact O-OG 2.88Å; F56-S59 VanDerWaalsContact O-OG 3.06Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.05Å; S59-L62 PolarHBondContact O-N 2.87Å; S59-Q63 WeakPolarHBondContact O-CG 3.32Å; S59-Q63 PolarHBondContact O-N 2.85Å
60I94.8Very high92.3Very high61 Ų6172 Ų7231%0.31333%0.331SS..Hα-helixtrans-60.2-50.2176.6-73.1168000110.5F56 R57 L62 Q63 M64F56-I60 HydrophobicContact CD1-CD1 3.68Å; F56-I60 HydrophobicContact CD2-CD1 4.27Å; F56-I60 HydrophobicContact CE1-CD1 3.24Å; F56-I60 HydrophobicContact CE1-CG1 4.42Å; F56-I60 HydrophobicContact CE2-CD1 3.88Å; F56-I60 HydrophobicContact CE2-CG1 4.3Å; F56-I60 HydrophobicContact CG-CD1 4.19Å; F56-I60 HydrophobicContact CZ-CD1 3.36Å; F56-I60 HydrophobicContact CZ-CG1 4.23Å; F56-I60 WeakPolarHBondContact O-CG1 3.27Å; F56-I60 PolarHBondContact O-N 3.4Å; R57-I60 PolarHBondContact O-N 3.37Å; I60-L62 VanDerWaalsContact C-N 3.3Å; I60-L62 PolarHBondContact O-N 3.32Å; I60-Q63 PolarHBondContact O-N 3.43Å; I60-M64 HydrophobicContact CG2-CG 4.25Å; I60-M64 HydrophobicContact CG2-SD 3.82Å; I60-M64 WeakPolarHBondContact O-CG 3.32Å; I60-M64 PolarHBondContact O-N 2.82Å
61I92.9Very high91.8Very high34 Ų3475.4 Ų75.417%0.17435%0.35CS..Hα-helixtrans-61.5-43-177.1-67.2172.2000110R57 S58 Q63 M64 R65R57-I61 HydrophobicContact CG-CD1 3.64Å; R57-I61 HydrophobicContact CG-CG1 4.33Å; R57-I61 VanDerWaalsContact O-CG1 3.26Å; R57-I61 WeakPolarHBondContact O-CG1 3.31Å; R57-I61 PolarHBondContact O-N 2.8Å; S58-I61 PolarHBondContact O-N 2.78Å; I61-Q63 PolarHBondContact O-N 3.34Å; I61-M64 PolarHBondContact O-N 2.76Å; I61-R65 HydrophobicContact CG2-CG 4.41Å; I61-R65 VanDerWaalsContact CG2-CZ 3.43Å; I61-R65 WeakPolarHBondContact O-CB 3.39Å; I61-R65 WeakPolarHBondContact O-CG 3.42Å; I61-R65 PolarHBondContact O-N 3.34Å
62L92.8Very high91.3Very high13 Ų1373.9 Ų73.97%0.06834%0.344CS..Hα-helixtrans-62.6-42.5177.4-173.565.4000112S58 S59 I60 R65 N66 R266 C270 Q271S58-L62 WeakPolarHBondContact O-CB 3.22Å; S58-L62 PolarHBondContact O-N 2.78Å; S59-L62 PolarHBondContact O-N 2.87Å; I60-L62 VanDerWaalsContact C-N 3.3Å; I60-L62 PolarHBondContact O-N 3.32Å; L62-R65 PolarHBondContact O-N 3.2Å; L62-N66 WeakPolarHBondContact O-CB 3.28Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 2.86Å; L62-R266 HydrophobicContact CD1-CB 4.23Å; L62-C270 HydrophobicContact CD2-CB 3.7Å; L62-Q271 HydrophobicContact CD2-CG 3.73Å
63Q92.9Very high90.9Very high134 Ų13467.1 Ų67.163%0.62632%0.324SS*.Hα-helixtrans-61.8-43.7175-74.1178.10.400111.8S59 I60 I61 N66 F67S59-Q63 WeakPolarHBondContact O-CG 3.32Å; S59-Q63 PolarHBondContact O-N 2.85Å; I60-Q63 PolarHBondContact O-N 3.43Å; I61-Q63 PolarHBondContact O-N 3.34Å; Q63-N66 PolarHBondContact O-N 3.3Å; Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.15Å
64M93.4Very high90.6Very high107 Ų10767.5 Ų67.553%0.52732%0.322SS..Hα-helixtrans-61.6-44.2175.3-70.3177.270.800111.6I60 I61 F67 L68I60-M64 HydrophobicContact CG2-CG 4.25Å; I60-M64 HydrophobicContact CG2-SD 3.82Å; I60-M64 WeakPolarHBondContact O-CG 3.32Å; I60-M64 PolarHBondContact O-N 2.82Å; I61-M64 PolarHBondContact O-N 2.76Å; M64-F67 PolarHBondContact O-N 2.88Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.44Å; M64-L68 PolarHBondContact O-N 3.21Å
65R93.1Very high90.4Very high28 Ų2868.7 Ų68.711%0.10633%0.33CS..Hα-helixtrans-62.5-45177.3-75.6-174.5-177.7126.5-5.3111.9I61 L62 L68 C69 E76 L263 R266 E277I61-R65 HydrophobicContact CG2-CG 4.41Å; I61-R65 VanDerWaalsContact CG2-CZ 3.43Å; I61-R65 WeakPolarHBondContact O-CB 3.39Å; I61-R65 WeakPolarHBondContact O-CG 3.42Å; I61-R65 PolarHBondContact O-N 3.34Å; L62-R65 PolarHBondContact O-N 3.2Å; R65-L68 PolarHBondContact O-N 3.46Å; R65-C69 VanDerWaalsContact O-CB 3.24Å; R65-C69 WeakPolarHBondContact O-CB 3.3Å; R65-C69 PolarHBondContact O-N 3.26Å; R65-C69 PolarHBondContact O-SG 3.22Å; R65-C69 VanDerWaalsContact O-SG 3.38Å; R65-E76 WeakPolarHBondContact CD-OE2 3.38Å; R65-E76 IonicContact CZ-OE1 3.88Å; R65-E76 IonicContact NE-OE1 3.6Å; R65-E76 PolarHBondContact NE-OE1 3.22Å; R65-E76 IonicContact NE-OE2 2.71Å; R65-E76 IonicContact NH2-OE1 2.87Å; R65-L263 HydrophobicContact CB-CD1 4.23Å; R65-R266 VanDerWaalsContact CZ-CZ 3.43Å; R65-E277 IonicContact CZ-OE1 3.61Å; R65-E277 IonicContact CZ-OE2 3.61Å; R65-E277 VanDerWaalsContact NH1-CD 3.3Å; R65-E277 IonicContact NH1-OE1 3.73Å; R65-E277 PolarHBondContact NH1-OE1 2.95Å; R65-E277 IonicContact NH1-OE2 2.94Å; R65-E277 PolarHBondContact NH1-OE2 3.37Å; R65-E277 IonicContact NH2-OE1 2.63Å; R65-E277 PolarHBondContact NH2-OE1 3.46Å
66N91.8Very high90.2Very high19 Ų1964.4 Ų64.410%0.10232%0.316CS..Iπ-helixtrans-62.7-44.8176.1-75.3-26.4000111L62 Q63 L68 Q70 N71 N267 Q271L62-N66 WeakPolarHBondContact O-CB 3.28Å; L62-N66 PolarHBondContact O-N 3.42Å; L62-N66 PolarHBondContact O-ND2 2.86Å; Q63-N66 PolarHBondContact O-N 3.3Å; N66-L68 PolarHBondContact O-N 3.15Å; N66-Q70 WeakPolarHBondContact O-CA 3.14Å; N66-Q70 VanDerWaalsContact O-CB 3.22Å; N66-Q70 WeakPolarHBondContact O-CB 3.24Å; N66-Q70 PolarHBondContact O-N 2.92Å; N66-Q70 PolarHBondContact OD1-NE2 3.17Å; N66-Q70 PolarHBondContact OD1-OE1 3.4Å; N66-N71 PolarHBondContact O-N 3.16Å; N66-N267 PolarHBondContact ND2-OD1 2.77Å; N66-N267 PolarHBondContact OD1-ND2 3.48Å; N66-N267 PolarHBondContact OD1-OD1 3.01Å; N66-Q271 PolarHBondContact ND2-NE2 2.86Å
67F91.7Very high89.8Confident115 Ų11562.7 Ų62.750%0.50431%0.312SS..Iπ-helixtrans-59-48.7175.5176.9-99.4000112.5Q63 M64 N71 N72Q63-F67 WeakPolarHBondContact O-CB 3.38Å; Q63-F67 PolarHBondContact O-N 3.15Å; M64-F67 PolarHBondContact O-N 2.88Å; F67-N71 VanDerWaalsContact O-CB 3.29Å; F67-N71 WeakPolarHBondContact O-CB 3.46Å; F67-N71 PolarHBondContact O-N 2.95Å; F67-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N72 WeakPolarHBondContact CE1-ND2 3.42Å; F67-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F67-N72 PolarHBondContact O-N 3.05Å; F67-N72 PolarHBondContact O-ND2 2.52Å
68L90.6Very high89.1Confident68 Ų6860.6 Ų60.636%0.35631%0.308SS..Iπ-helixtrans-71.7-50.1-177.6-68.2173.2000111.7M64 R65 N66 N72 G73 F74M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.44Å; M64-L68 PolarHBondContact O-N 3.21Å; R65-L68 PolarHBondContact O-N 3.46Å; N66-L68 PolarHBondContact O-N 3.15Å; L68-N72 CarbonylContact O-C 3.53Å; L68-N72 PolarHBondContact O-N 3.31Å; L68-G73 PolarHBondContact O-N 2.8Å; L68-F74 HydrophobicContact CB-CB 4.19Å; L68-F74 HydrophobicContact CB-CD2 4.19Å; L68-F74 HydrophobicContact CB-CG 4.4Å; L68-F74 HydrophobicContact CD2-CD2 3.97Å; L68-F74 HydrophobicContact CD2-CE2 4Å; L68-F74 WeakPolarHBondContact O-CB 3.36Å; L68-F74 WeakPolarHBondContact O-CD2 3.46Å; L68-F74 PolarHBondContact O-N 3.27Å
69C88.8Confident88.1Confident23 Ų2364.8 Ų64.816%0.15533%0.334CS..Iπ-helixtrans-81.3-44.8-170.7-56.90000112.7R65 F74 L263R65-C69 VanDerWaalsContact O-CB 3.24Å; R65-C69 WeakPolarHBondContact O-CB 3.3Å; R65-C69 PolarHBondContact O-N 3.26Å; R65-C69 PolarHBondContact O-SG 3.22Å; R65-C69 VanDerWaalsContact O-SG 3.38Å; C69-F74 WeakPolarHBondContact CA-O 2.79Å; C69-L263 HydrophobicContact CB-CD2 3.69Å
70Q84.8Confident86.4Confident93 Ų9368.3 Ų68.344%0.43536%0.355SS..Iπ-helixtrans-83.8-44.3-177.3-55.3-179.6-27.800111.5N66 L263 N267N66-Q70 WeakPolarHBondContact O-CA 3.14Å; N66-Q70 VanDerWaalsContact O-CB 3.22Å; N66-Q70 WeakPolarHBondContact O-CB 3.24Å; N66-Q70 PolarHBondContact O-N 2.92Å; N66-Q70 PolarHBondContact OD1-NE2 3.17Å; N66-Q70 PolarHBondContact OD1-OE1 3.4Å; Q70-L263 HydrophobicContact CG-CD2 3.8Å; Q70-N267 PolarHBondContact NE2-ND2 3.24Å; Q70-N267 VanDerWaalsContact NE2-ND2 3.18Å
71N81.9Confident84.6Confident96 Ų9672.1 Ų72.151%0.51337%0.366SS..Iπ-helixtrans-89.1-30.5-171.7-55.4-5.1000113.2N66 F67N66-N71 PolarHBondContact O-N 3.16Å; F67-N71 VanDerWaalsContact O-CB 3.29Å; F67-N71 WeakPolarHBondContact O-CB 3.46Å; F67-N71 PolarHBondContact O-N 2.95Å
72N82.6Confident82Confident24 Ų2479.1 Ų79.113%0.12840%0.403CS..SBendtrans-115.52.9-175.8-64.1-73.8000113.7F67 L68 F74 R161F67-N72 WeakPolarHBondContact CD1-ND2 3.32Å; F67-N72 WeakPolarHBondContact CE1-ND2 3.42Å; F67-N72 WeakPolarHBondContact CZ-ND2 3.47Å; F67-N72 PolarHBondContact O-N 3.05Å; F67-N72 PolarHBondContact O-ND2 2.52Å; L68-N72 CarbonylContact O-C 3.53Å; L68-N72 PolarHBondContact O-N 3.31Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 HydrophobicContact CB-CD2 3.66Å; N72-F74 HydrophobicContact CB-CE2 3.74Å; N72-F74 PolarHBondContact O-N 3.24Å; N72-R161 PolarHBondContact O-NH2 3.05Å
73G82.4Confident79.4Confident19 Ų1985.6 Ų85.620%0.19643%0.431CS..  trans65.522.517500000115.2L68 R161L68-G73 PolarHBondContact O-N 2.8Å; G73-R161 VanDerWaalsContact C-NH2 3.26Å; G73-R161 PolarHBondContact O-NH2 3.25Å
74F87.1Confident76.4Confident94 Ų9489.1 Ų89.141%0.41244%0.444SS..  trans-67.6151.8171-74.2-95.4000110.7L68 C69 N72 P118L68-F74 HydrophobicContact CB-CB 4.19Å; L68-F74 HydrophobicContact CB-CD2 4.19Å; L68-F74 HydrophobicContact CB-CG 4.4Å; L68-F74 HydrophobicContact CD2-CD2 3.97Å; L68-F74 HydrophobicContact CD2-CE2 4Å; L68-F74 WeakPolarHBondContact O-CB 3.36Å; L68-F74 WeakPolarHBondContact O-CD2 3.46Å; L68-F74 PolarHBondContact O-N 3.27Å; C69-F74 WeakPolarHBondContact CA-O 2.79Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 HydrophobicContact CB-CD2 3.66Å; N72-F74 HydrophobicContact CB-CE2 3.74Å; N72-F74 PolarHBondContact O-N 3.24Å; F74-P118 HydrophobicContact CE2-CB 3.65Å; F74-P118 HydrophobicContact CZ-CB 3.5Å; F74-P118 HydrophobicContact CZ-CG 4.39Å
75T87.5Confident73.7Confident42 Ų4291.4 Ų91.426%0.25846%0.457SS..  trans-107.8119171.9-580000108.2I77 I255 R256T75-I77 HydrophobicContact CG2-CG1 4.12Å; T75-I77 PolarHBondContact O-N 2.87Å; T75-I255 HydrophobicContact CG2-CG2 4.06Å; T75-R256 HydrophobicContact CG2-CG 3.91Å
76E89.8Confident70.9Confident51 Ų5195.8 Ų95.824%0.23849%0.487CS..  trans-72.1119.4172.9-171.4176.7-177.700109R65 S259 R266R65-E76 WeakPolarHBondContact CD-OE2 3.38Å; R65-E76 IonicContact CZ-OE1 3.88Å; R65-E76 IonicContact NE-OE1 3.6Å; R65-E76 PolarHBondContact NE-OE1 3.22Å; R65-E76 IonicContact NE-OE2 2.71Å; R65-E76 IonicContact NH2-OE1 2.87Å; E76-S259 PolarHBondContact N-OG 3.32Å; E76-S259 WeakPolarHBondContact O-CB 3.26Å; E76-S259 PolarHBondContact O-OG 2.96Å; E76-S259 VanDerWaalsContact O-OG 3.13Å; E76-R266 IonicContact OE1-CZ 2.92Å; E76-R266 IonicContact OE1-NH1 3.51Å; E76-R266 PolarHBondContact OE1-NH1 3.02Å; E76-R266 IonicContact OE1-NH2 2.83Å; E76-R266 IonicContact OE2-NH1 3.56Å; E76-R266 PolarHBondContact OE2-NH1 3.3Å
77I86.4Confident67.9Low97 Ų97101 Ų10150%0.49752%0.522SS..  trans-119.7115.7179.7-53.7-179.3000108.1T75 T79 I255T75-I77 HydrophobicContact CG2-CG1 4.12Å; T75-I77 PolarHBondContact O-N 2.87Å; I77-T79 PolarHBondContact O-N 2.71Å; I77-I255 HydrophobicContact CD1-CG2 3.8Å; I77-I255 HydrophobicContact CG1-CG2 3.62Å; I77-I255 HydrophobicContact CG2-CG2 4.34Å
78E78.8Confident65.1Low96 Ų9698.4 Ų98.445%0.44953%0.528SS..  trans-80.1107.4166.5-68.3171.3169.800107.8R258 R266E78-R258 IonicContact OE2-CZ 3.33Å; E78-R258 IonicContact OE2-NH2 2.85Å; E78-R258 PolarHBondContact OE2-NH2 3.48Å; E78-R266 IonicContact OE1-NH2 2.65Å
79T72.5Confident62.2Low96 Ų96103.9 Ų103.959%0.58955%0.552SS**PPolyproline II helixtrans-67.2134.3173.550.80000108.9I77 Y81I77-T79 PolarHBondContact O-N 2.71Å; T79-Y81 PolarHBondContact O-N 2.97Å
80P58.4Low59.6Low125 Ų125110 Ų11081%0.81258%0.581SS**PPolyproline II helixtrans-57.5121.8174.325-32.4000108.3L82P80-L82 PolarHBondContact O-N 3.03Å
81Y56.3Low57Low140 Ų140114.6 Ų114.655%0.54960%0.6SS.*PPolyproline II helixtrans-62.4127.7168.8-65.5-78.7000107.3T79 F83 Y282T79-Y81 PolarHBondContact O-N 2.97Å; Y81-F83 PolarHBondContact O-N 2.94Å; Y81-Y282 HydrophobicContact CE2-CE1 4.13Å; Y81-Y282 PolarHBondContact OH-OH 2.84Å
82L39.5Very low54.7Low181 Ų181115.3 Ų115.395%0.94861%0.613SS**  trans-6287.8167.4-86.3159.9000108.1P80P80-L82 PolarHBondContact O-N 3.03Å
83F36.4Very low52.3Low150 Ų150122.6 Ų122.666%0.65865%0.646SS**  trans-73.6129.7156.5-71.8-81000106.6Y81 I85Y81-F83 PolarHBondContact O-N 2.94Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.1Å
84K30.6Very low49.8Very low207 Ų207129.6 Ų129.690%0.968%0.678SS**  trans-57.9104.1162.2-90.3-176.7175.3179.50106.3T86K84-T86 PolarHBondContact O-N 3.49Å; K84-T86 VanDerWaalsContact O-N 3.09Å
85I37.5Very low47.1Very low155 Ų155128.7 Ų128.780%0.79570%0.695SS**  trans-65.7107.8169.1-60.8171.8000105.5F83F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 3.1Å
86T33.2Very low44.3Very low120 Ų120136.8 Ų136.874%0.73673%0.727SS**  trans-70.2129.6162.8-260000106.3K84 G88K84-T86 PolarHBondContact O-N 3.49Å; K84-T86 VanDerWaalsContact O-N 3.09Å; T86-G88 PolarHBondContact O-N 2.76Å
87P29Very low41.6Very low128 Ų128137.4 Ų137.483%0.83175%0.747SS**SBendtrans-71.6105.2-174.228.1-31.8000109.6
88G32.5Very low39Very low61 Ų61139.1 Ų139.163%0.62976%0.762SS**  trans179118.817200000108T86T86-G88 PolarHBondContact O-N 2.76Å
89E30.9Very low37.1Very low184 Ų184139.4 Ų139.486%0.8677%0.772SS**  trans87.863173.3-50-173.3167.200116.8
90I32.6Very low35.1Very low150 Ų150142.6 Ų142.677%0.76979%0.786SS**  trans-82.9117.1152.5-70.3172.5000106.9
91F32.1Very low34.1Very low191 Ų191144.1 Ų144.184%0.83879%0.786SS**SBendtrans86.26144.3-87-109.7000124.9
92S32Very low33.2Very low111 Ų111143.5 Ų143.578%0.77680%0.798SS**SBendtrans-110.50.7-171.361.10000119.8
93Q32.8Very low32.9Very low176 Ų176142.6 Ų142.682%0.82279%0.793SS**SBendtrans-127.72.2-172.3-82-170.6-11.100118.7G95Q93-G95 PolarHBondContact O-N 3.28Å
94L30.5Very low33Very low166 Ų166139.7 Ų139.787%0.86979%0.791SS**  trans-93.482.5171.6-72.4168.2000110F96L94-F96 PolarHBondContact O-N 3.29Å
95G29Very low33.2Very low75 Ų75138.7 Ų138.777%0.77379%0.787SS**  trans-54.4115.5169.600000110.8Q93 G97Q93-G95 PolarHBondContact O-N 3.28Å; G95-G97 VanDerWaalsContact C-N 3.28Å; G95-G97 PolarHBondContact O-N 2.63Å
96F30.3Very low33.3Very low212 Ų212137.5 Ų137.593%0.9378%0.782SS**  trans-66.686.3171.4-76.4-87.4000109.9L94L94-F96 PolarHBondContact O-N 3.29Å
97G32.3Very low33.5Very low64 Ų64136.6 Ų136.666%0.6678%0.78SS**  trans-93.6107.316100000109.1G95 P99G95-G97 VanDerWaalsContact C-N 3.28Å; G95-G97 PolarHBondContact O-N 2.63Å; G97-P99 WeakPolarHBondContact O-CD 3.27Å
98T31.1Very low33.8Very low133 Ų133137 Ų13782%0.81678%0.775SS**  trans-60.8134.917149.40000111.1
99P39Very low34Very low102 Ų102140.2 Ų140.266%0.66278%0.776SS**  trans-114.9123.414829.1-14.7000109.6G97 L101G97-P99 WeakPolarHBondContact O-CD 3.27Å; P99-L101 PolarHBondContact O-N 3.38Å
100N31.5Very low34.2Very low163 Ų163136.4 Ų136.487%0.87277%0.767SS**  trans-50.7110.1162.2-77-32.7000109.1
101L36.8Very low34.1Very low157 Ų157139.2 Ų139.282%0.82277%0.774SS**  trans-108.9114.1165.9-74.1172.5000108.2P99P99-L101 PolarHBondContact O-N 3.38Å
102T37Very low34.2Very low128 Ų128133.6 Ų133.679%0.78576%0.763SS**  trans-64.9136.9178.941.60000110.9S104T102-S104 PolarHBondContact O-N 2.9Å; T102-S104 VanDerWaalsContact O-N 3.11Å
103L34.1Very low34.3Very low161 Ų161134 Ų13484%0.84377%0.765SS**SBendtrans-72.692.5178.8-73.6156.8000110.2L106L103-L106 HydrophobicContact CD2-CD1 3.79Å
104S37.1Very low34.6Very low89 Ų89128.1 Ų128.162%0.62274%0.741SS**  trans-136.84.5171.863.90000116.2T102T102-S104 PolarHBondContact O-N 2.9Å; T102-S104 VanDerWaalsContact O-N 3.11Å
105F36.2Very low34.8Very low186 Ų186125 Ų12582%0.81673%0.734SS**  trans-109.19.5180-110.3-91.3000116S107F105-S107 PolarHBondContact O-N 3.4Å
106L39.1Very low35.7Very low131 Ų131131.7 Ų131.769%0.68674%0.736SS**THydrogen-bonded Turntrans-76.84.5179.3-79.7165.9000114.7L103L103-L106 HydrophobicContact CD2-CD1 3.79Å
107S37.7Very low36.7Very low101 Ų101124 Ų12471%0.70670%0.704SS**THydrogen-bonded Turntrans-94.8-0.7-173.957.60000115.9F105F105-S107 PolarHBondContact O-N 3.4Å
108L34.6Very low37.6Very low136 Ų136121.8 Ų121.871%0.71268%0.678SS**  trans-121.460.3173.7-8896.4000112.3P110L108-P110 WeakPolarHBondContact O-CD 3.32Å
109I38.1Very low38.5Very low129 Ų129119.9 Ų119.966%0.66268%0.676SS**  trans-97.6106.8157.7-56.9176.9000106.4K111I109-K111 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact O-N 3.16Å
110P33.5Very low39.2Very low104 Ų104124.3 Ų124.368%0.67569%0.685SS**  trans-62.1123.4171.526-30.1000107.6L108 A112L108-P110 WeakPolarHBondContact O-CD 3.32Å; P110-A112 PolarHBondContact O-N 2.96Å
111K30.9Very low40.8Very low209 Ų209119.9 Ų119.991%0.90966%0.664SS**  trans-67.680.2164.8-71.1-179.2179.7176.50107.1I109 S113I109-K111 PolarHBondContact O-N 3.33Å; I109-K111 VanDerWaalsContact O-N 3.16Å; K111-S113 PolarHBondContact O-N 3.29Å; K111-S113 VanDerWaalsContact O-N 3.15Å
112A33.9Very low42.6Very low73 Ų73122.2 Ų122.260%0.60366%0.663SS**  trans-70.7108.4175.700000108.5P110 V114P110-A112 PolarHBondContact O-N 2.96Å; A112-V114 HydrophobicContact CB-CG2 3.89Å; A112-V114 PolarHBondContact O-N 3.03Å; A112-V114 VanDerWaalsContact O-N 3.11Å
113S34.5Very low44.8Very low118 Ų118117.7 Ų117.783%0.82563%0.632SS**  trans-70.694161.1570000107.6K111K111-S113 PolarHBondContact O-N 3.29Å; K111-S113 VanDerWaalsContact O-N 3.15Å
114V38.8Very low47.3Very low53 Ų53111.9 Ų111.932%0.32161%0.605SS.*  trans-97.198.9175.7-176.90000107.8A112A112-V114 HydrophobicContact CB-CG2 3.89Å; A112-V114 PolarHBondContact O-N 3.03Å; A112-V114 VanDerWaalsContact O-N 3.11Å
115S35.5Very low49.8Very low102 Ų102109.8 Ų109.871%0.71359%0.586SS**  trans-115.797162.256.70000108.4
116R47.6Very low52.3Low215 Ų215100.9 Ų100.981%0.81155%0.547SS*.  trans176.6114.4152.9-95.9162-143.8-154.66.3107.7
117L51.6Low54.9Low50 Ų5094.7 Ų94.726%0.26251%0.514SS..  trans-73.5160.7-170.9-68.5115.2000113.1A119 K123 S124L117-A119 PolarHBondContact O-N 3.33Å; L117-A119 VanDerWaalsContact O-N 3.15Å; L117-K123 HydrophobicContact CD2-CG 4.46Å; L117-S124 WeakPolarHBondContact CD1-O 3.48Å
118P51.2Low57.4Low17 Ų1791.1 Ų91.111%0.1149%0.494CS..  trans-56.9118.8163.227-37000109.8F74 F120 V121F74-P118 HydrophobicContact CE2-CB 3.65Å; F74-P118 HydrophobicContact CZ-CB 3.5Å; F74-P118 HydrophobicContact CZ-CG 4.39Å; P118-F120 PolarHBondContact O-N 2.98Å; P118-V121 HydrophobicContact CB-CG2 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.78Å
119A49.9Very low60Low94 Ų9487.1 Ų87.178%0.77747%0.471SS*.THydrogen-bonded Turntrans-58.96.3-179.400000115.8L117L117-A119 PolarHBondContact O-N 3.33Å; L117-A119 VanDerWaalsContact O-N 3.15Å
120F53.1Low62.6Low195 Ų19581.2 Ų81.286%0.85544%0.441SS*.THydrogen-bonded Turntrans-120.623.2-167.4-66.6-76.5000113.9P118P118-F120 PolarHBondContact O-N 2.98Å
121V65.6Low65.5Low70 Ų7078.1 Ų78.142%0.42442%0.422SS..SBendtrans-131.8141.2-172.8-166.40000111.5P118 K123P118-V121 HydrophobicContact CB-CG2 4.24Å; P118-V121 HydrophobicContact CG-CG2 3.78Å; V121-K123 HydrophobicContact CB-CG 4.14Å; V121-K123 HydrophobicContact CG1-CB 4.19Å; V121-K123 HydrophobicContact CG1-CD 3.95Å; V121-K123 HydrophobicContact CG1-CG 3.61Å; V121-K123 PolarHBondContact O-N 3.42Å
122Y74.5Confident68.5Low206 Ų20671.5 Ų71.581%0.80840%0.399SS*.SBendtrans-59.88.6171.5-58.1-81000114.9T140Y122-T140 VanDerWaalsContact O-CG2 3.25Å; Y122-T140 WeakPolarHBondContact O-CG2 3.5Å
123K84.1Confident71.5Confident32 Ų3276.2 Ų76.214%0.13941%0.408CS..  trans-118.3137.3-174.979-173.8-175.9171.60110.7L117 V121 T140 C142 D159 D160L117-K123 HydrophobicContact CD2-CG 4.46Å; V121-K123 HydrophobicContact CB-CG 4.14Å; V121-K123 HydrophobicContact CG1-CB 4.19Å; V121-K123 HydrophobicContact CG1-CD 3.95Å; V121-K123 HydrophobicContact CG1-CG 3.61Å; V121-K123 PolarHBondContact O-N 3.42Å; K123-T140 CarbonylContact C-O 3.48Å; K123-C142 HydrophobicContact CB-CB 4.29Å; K123-D159 IonicContact NZ-OD2 3.75Å; K123-D160 IonicContact NZ-OD1 3.57Å
124S86.5Confident74.4Confident39 Ų3972.6 Ų72.627%0.27338%0.379SS..SBendtrans-81.1-23.7175.270.90000113.3L117 V139 T140L117-S124 WeakPolarHBondContact CD1-O 3.48Å; S124-V139 WeakPolarHBondContact OG-CA 3.31Å; S124-V139 WeakPolarHBondContact OG-CB 3.25Å; S124-T140 PolarHBondContact N-O 2.93Å; S124-T140 PolarHBondContact OG-N 3.29Å; S124-T140 PolarHBondContact OG-O 3.27Å
125H89.3Confident77.1Confident45 Ų4573 Ų7321%0.20838%0.378CS..SBendtrans-152.9154.4-176.3-67.385000109.2L130 H134 V139 T140H125-L130 HydrophobicContact CB-CD1 4.47Å; H125-L130 HydrophobicContact CB-CD2 3.84Å; H125-L130 HydrophobicContact CB-CG 4.1Å; H125-H134 AromaticContact NE2-CD2 3.79Å; H125-H134 AromaticContact NE2-NE2 3.98Å; H125-V139 WeakPolarHBondContact ND1-CG1 3.4Å; H125-T140 PolarHBondContact N-O 3.31Å
126A89.5Confident79.9Confident0 Ų073.3 Ų73.30%037%0.372CS..  trans-79.5150.416300000110.4G128 E129 D159 R161A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 2.91Å; A126-E129 HydrophobicContact CB-CB 4.35Å; A126-E129 HydrophobicContact CB-CG 3.92Å; A126-E129 WeakPolarHBondContact CB-OE2 3.34Å; A126-E129 PolarHBondContact N-OE2 3.23Å; A126-E129 PolarHBondContact O-N 3.13Å; A126-E129 VanDerWaalsContact O-N 3.15Å; A126-D159 VanDerWaalsContact CA-OD2 3.32Å; A126-D159 WeakPolarHBondContact CA-OD2 3.46Å; A126-D159 WeakPolarHBondContact CB-OD2 3.48Å; A126-R161 HydrophobicContact CB-CB 3.97Å; A126-R161 HydrophobicContact CB-CG 3.98Å
127C92.5Very high82.2Confident0 Ų065 Ų650%035%0.346CS..G310 helixtrans-59.4-42-176.3-62.40000111.4E129 D159 I164 T204C127-E129 VanDerWaalsContact C-N 3.33Å; C127-E129 PolarHBondContact O-N 3.45Å; C127-D159 HydrophobicContact CB-CB 4.28Å; C127-D159 WeakPolarHBondContact CB-OD1 3.4Å; C127-D159 PolarHBondContact N-OD2 3.33Å; C127-I164 HydrophobicContact CB-CB 4.3Å; C127-I164 HydrophobicContact CB-CG2 3.85Å; C127-T204 WeakPolarHBondContact O-CG2 3.29Å
128G89.6Confident84.4Confident27 Ų2766.7 Ų66.728%0.27836%0.359SS..G310 helixtrans-77.6-7.6-179.800000116A126A126-G128 VanDerWaalsContact C-N 3.29Å; A126-G128 PolarHBondContact O-N 2.91Å
129E89.6Confident86.5Confident52 Ų5265.9 Ų65.924%0.24335%0.354CS..G310 helixtrans-89.7-18.6-178.8-73.5172.1172.200113.2A126 C127 R161A126-E129 HydrophobicContact CB-CB 4.35Å; A126-E129 HydrophobicContact CB-CG 3.92Å; A126-E129 WeakPolarHBondContact CB-OE2 3.34Å; A126-E129 PolarHBondContact N-OE2 3.23Å; A126-E129 PolarHBondContact O-N 3.13Å; A126-E129 VanDerWaalsContact O-N 3.15Å; C127-E129 VanDerWaalsContact C-N 3.33Å; C127-E129 PolarHBondContact O-N 3.45Å; E129-R161 VanDerWaalsContact OE1-CD 3.29Å; E129-R161 WeakPolarHBondContact OE1-CD 3.36Å; E129-R161 IonicContact OE1-CZ 3.93Å; E129-R161 IonicContact OE1-NE 3.81Å; E129-R161 IonicContact OE1-NH1 3.51Å; E129-R161 PolarHBondContact OE1-NH1 2.6Å; E129-R161 IonicContact OE2-NH1 2.8Å
130L93.6Very high88.6Confident5 Ų563 Ų633%0.02633%0.326CS..  trans-70.6139-178-68.1168.8000110.9H125 H134 V139 V141 I164 V190 I207 I209H125-L130 HydrophobicContact CB-CD1 4.47Å; H125-L130 HydrophobicContact CB-CD2 3.84Å; H125-L130 HydrophobicContact CB-CG 4.1Å; L130-H134 HydrophobicContact CD2-CB 3.99Å; L130-V139 HydrophobicContact CD1-CG2 4.21Å; L130-V139 HydrophobicContact CD2-CG1 4.11Å; L130-V141 HydrophobicContact CD1-CG1 3.89Å; L130-I164 HydrophobicContact CB-CD1 3.86Å; L130-I164 HydrophobicContact CD1-CD1 3.4Å; L130-I164 VanDerWaalsContact CD1-CD1 3.4Å; L130-I164 HydrophobicContact CG-CD1 4.27Å; L130-V190 HydrophobicContact CD2-CG2 4.41Å; L130-I207 HydrophobicContact CB-CD1 3.69Å; L130-I209 HydrophobicContact CD1-CD1 3.85Å
131S94.4Very high90.6Very high39 Ų3953.7 Ų53.727%0.27329%0.286SS..  trans-144.2176.5-175.971.30000110.4Q133 H134S131-Q133 PolarHBondContact O-N 3.35Å; S131-Q133 PolarHBondContact OG-N 3.32Å; S131-H134 PolarHBondContact N-ND1 3.16Å; S131-H134 VanDerWaalsContact N-ND1 3.16Å; S131-H134 WeakPolarHBondContact O-CB 3.17Å; S131-H134 PolarHBondContact O-N 3.28Å; S131-H134 PolarHBondContact O-ND1 2.85Å; S131-H134 PolarHBondContact OG-ND1 3.15Å; S131-H134 VanDerWaalsContact OG-ND1 3.17Å
132T94.5Very high92Very high69 Ų6951.9 Ų51.942%0.42328%0.276SS..G310 helixtrans-56.4-21.6175.650.20000113.7H134 I135 E206 I207T132-H134 PolarHBondContact O-N 2.9Å; T132-I135 HydrophobicContact CG2-CD1 4.36Å; T132-I135 VanDerWaalsContact O-CD1 3.28Å; T132-I135 WeakPolarHBondContact O-CD1 3.41Å; T132-I135 WeakPolarHBondContact O-CG1 3.38Å; T132-I135 PolarHBondContact O-N 2.71Å; T132-E206 HydrophobicContact CG2-CB 4.1Å; T132-E206 VanDerWaalsContact CG2-OE2 3.26Å; T132-E206 WeakPolarHBondContact CG2-OE2 3.19Å; T132-I207 HydrophobicContact CG2-CG2 4.06Å
133Q95.5Very high92.9Very high172 Ų17242.2 Ų42.280%0.80424%0.239SC*.G310 helixtrans-65.8-19.7174.7-61.9176-6.400113.3S131S131-Q133 PolarHBondContact O-N 3.35Å; S131-Q133 PolarHBondContact OG-N 3.32Å
134H95.2Very high93.4Very high43 Ų4344 Ų4420%0.19925%0.245CC..G310 helixtrans-96.53.3-177-56.186.7000112.4H125 L130 S131 T132 N136 S137 V190H125-H134 AromaticContact NE2-CD2 3.79Å; H125-H134 AromaticContact NE2-NE2 3.98Å; L130-H134 HydrophobicContact CD2-CB 3.99Å; S131-H134 PolarHBondContact N-ND1 3.16Å; S131-H134 VanDerWaalsContact N-ND1 3.16Å; S131-H134 WeakPolarHBondContact O-CB 3.17Å; S131-H134 PolarHBondContact O-N 3.28Å; S131-H134 PolarHBondContact O-ND1 2.85Å; S131-H134 PolarHBondContact OG-ND1 3.15Å; S131-H134 VanDerWaalsContact OG-ND1 3.17Å; T132-H134 PolarHBondContact O-N 2.9Å; H134-N136 PolarHBondContact O-N 3.04Å; H134-S137 VanDerWaalsContact O-CB 3.31Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 2.82Å; H134-S137 PolarHBondContact O-OG 2.75Å; H134-V190 HydrophobicContact CB-CG1 4.44Å; H134-V190 HydrophobicContact CB-CG2 4.41Å; H134-V190 VanDerWaalsContact O-CB 3.27Å; H134-V190 WeakPolarHBondContact O-CB 3.33Å
135I95.9Very high93.7Very high62 Ų6242.4 Ų42.432%0.31823%0.233SC..THydrogen-bonded Turntrans-55.3138.1178.6-68.1166.3000109.8T132 S137 A192 I207T132-I135 HydrophobicContact CG2-CD1 4.36Å; T132-I135 VanDerWaalsContact O-CD1 3.28Å; T132-I135 WeakPolarHBondContact O-CD1 3.41Å; T132-I135 WeakPolarHBondContact O-CG1 3.38Å; T132-I135 PolarHBondContact O-N 2.71Å; I135-S137 PolarHBondContact O-N 2.94Å; I135-A192 HydrophobicContact CD1-CB 4.03Å; I135-I207 HydrophobicContact CD1-CG2 4.48Å; I135-I207 HydrophobicContact CG1-CG2 4.21Å
136N95.1Very high93.6Very high107 Ų10742.2 Ų42.257%0.57224%0.244SC*.THydrogen-bonded Turntrans70-1.4-173.7-62.1-52.9000116.9H134 K189 V190H134-N136 PolarHBondContact O-N 3.04Å; N136-K189 WeakPolarHBondContact O-CE 3.5Å; N136-K189 VanDerWaalsContact OD1-CE 3.26Å; N136-K189 WeakPolarHBondContact OD1-CE 3.24Å; N136-K189 PolarHBondContact OD1-NZ 2.96Å; N136-V190 PolarHBondContact N-O 3.38Å
137S96.1Very high93.4Very high40 Ų4047.6 Ų47.628%0.2827%0.268SS..  trans-78.7142.6171.469.50000111.5H134 I135 V139 K189 V190H134-S137 VanDerWaalsContact O-CB 3.31Å; H134-S137 WeakPolarHBondContact O-CB 3.4Å; H134-S137 PolarHBondContact O-N 2.82Å; H134-S137 PolarHBondContact O-OG 2.75Å; I135-S137 PolarHBondContact O-N 2.94Å; S137-V139 WeakPolarHBondContact OG-CG1 3.13Å; S137-K189 WeakPolarHBondContact O-CA 3.06Å; S137-V190 PolarHBondContact O-N 2.96Å
138T96.1Very high93.2Very high86 Ų8649.3 Ų49.353%0.52828%0.28SS..EExtended strand (participates in β ladder)trans-84.4125.6168.2-57.70000108.5T187 G188T138-T187 HydrophobicContact CG2-CG2 4.12Å; T138-G188 CarbonylContact C-O 3.57Å; T138-G188 WeakPolarHBondContact CA-O 3.5Å
139V95.4Very high93.1Very high1 Ų154.7 Ų54.71%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-130.9142.9-176.2-58.20000110.4S124 H125 L130 S137 V141 T187 G188 V190 I209S124-V139 WeakPolarHBondContact OG-CA 3.31Å; S124-V139 WeakPolarHBondContact OG-CB 3.25Å; H125-V139 WeakPolarHBondContact ND1-CG1 3.4Å; L130-V139 HydrophobicContact CD1-CG2 4.21Å; L130-V139 HydrophobicContact CD2-CG1 4.11Å; S137-V139 WeakPolarHBondContact OG-CG1 3.13Å; V139-V141 HydrophobicContact CG2-CG1 4.47Å; V139-T187 WeakPolarHBondContact O-CA 3.48Å; V139-G188 PolarHBondContact N-O 3.43Å; V139-G188 PolarHBondContact O-N 3.25Å; V139-V190 HydrophobicContact CB-CG2 4.4Å; V139-V190 HydrophobicContact CG1-CG2 3.87Å; V139-V190 HydrophobicContact CG2-CG2 3.59Å; V139-I209 HydrophobicContact CG2-CD1 3.7Å; V139-I209 HydrophobicContact CG2-CG1 4.03Å
140T95Very high92.7Very high32 Ų3258.2 Ų58.220%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-104.1124.5165.1-53.40000109.3Y122 K123 S124 H125 I185 V186 T187Y122-T140 VanDerWaalsContact O-CG2 3.25Å; Y122-T140 WeakPolarHBondContact O-CG2 3.5Å; K123-T140 CarbonylContact C-O 3.48Å; S124-T140 PolarHBondContact N-O 2.93Å; S124-T140 PolarHBondContact OG-N 3.29Å; S124-T140 PolarHBondContact OG-O 3.27Å; H125-T140 PolarHBondContact N-O 3.31Å; T140-I185 HydrophobicContact CG2-CG2 3.68Å; T140-V186 CarbonylContact C-O 3.55Å; T140-V186 VanDerWaalsContact CA-O 3.31Å; T140-V186 WeakPolarHBondContact CA-O 3.44Å; T140-T187 WeakPolarHBondContact CG2-OG1 3.26Å; T140-T187 PolarHBondContact OG1-OG1 2.86Å
141V94.6Very high92Very high0 Ų063.2 Ų63.20%035%0.347CS..EExtended strand (participates in β ladder)trans-122.3148.7176.1-66.70000109.9L130 V139 L157 I166 V186 I209L130-V141 HydrophobicContact CD1-CG1 3.89Å; V139-V141 HydrophobicContact CG2-CG1 4.47Å; V141-L157 HydrophobicContact CB-CD2 4.27Å; V141-L157 HydrophobicContact CG2-CD2 3.66Å; V141-I166 HydrophobicContact CG2-CD1 4.18Å; V141-V186 HydrophobicContact CG2-CB 4.07Å; V141-V186 PolarHBondContact N-O 3.02Å; V141-V186 PolarHBondContact O-N 2.83Å; V141-I209 HydrophobicContact CB-CD1 4.5Å; V141-I209 HydrophobicContact CG1-CD1 3.94Å; V141-I209 HydrophobicContact CG2-CD1 3.7Å
142C94.3Very high91.2Very high33 Ų3363.4 Ų63.422%0.22335%0.349CS..EExtended strand (participates in β ladder)trans-132.8136179.8176.60000109.6K123 L184 I185K123-C142 HydrophobicContact CB-CB 4.29Å; C142-L184 WeakPolarHBondContact CA-O 3.37Å; C142-I185 HydrophobicContact CB-CG1 4.2Å
143G94Very high90.9Very high3 Ų362.4 Ų62.43%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-179.3-166-17900000113.8R158 L184G143-R158 CarbonylContact C-O 3.59Å; G143-R158 WeakPolarHBondContact CA-O 3.24Å; G143-L184 PolarHBondContact N-O 2.92Å; G143-L184 PolarHBondContact O-N 2.96Å
144W94.4Very high90.7Very high70 Ų7056.3 Ų56.327%0.26531%0.308SS..EExtended strand (participates in β ladder)trans-102.9131.6178.3-61.2-80.7000110.3G146 R158 E181W144-G146 PolarHBondContact O-N 2.81Å; W144-R158 PolarHBondContact N-O 3.32Å; W144-R158 PolarHBondContact O-N 3.46Å; W144-E181 VanDerWaalsContact CD1-O 3.26Å
145P93.6Very high90.6Very high4 Ų454.3 Ų54.33%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-70.4125.4175.528.5-28.2000109F178 S182 L184P145-F178 HydrophobicContact CB-CD2 4.06Å; P145-F178 HydrophobicContact CB-CE2 3.45Å; P145-F178 VanDerWaalsContact CB-CE2 3.45Å; P145-F178 HydrophobicContact CB-CZ 3.8Å; P145-F178 HydrophobicContact CG-CD2 3.54Å; P145-F178 HydrophobicContact CG-CE2 3.48Å; P145-F178 VanDerWaalsContact CG-CE2 3.48Å; P145-F178 HydrophobicContact CG-CG 4.31Å; P145-F178 HydrophobicContact CG-CZ 4.2Å; P145-S182 WeakPolarHBondContact CD-O 3.26Å; P145-L184 HydrophobicContact CB-CD1 3.72Å; P145-L184 HydrophobicContact CB-CG 4.45Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CG 4.06Å
146G86.9Confident90.6Very high41 Ų4152.9 Ų52.942%0.42329%0.293SS..EExtended strand (participates in β ladder)trans-88.5-118.8168.900000110.4W144 C148 V156W144-G146 PolarHBondContact O-N 2.81Å; G146-C148 PolarHBondContact O-N 2.82Å; G146-V156 PolarHBondContact N-O 3.11Å
147H85.7Confident90.6Very high113 Ų11347.8 Ų47.852%0.52327%0.266SS..EExtended strand (participates in β ladder)trans-72.4121.8179.8-172.226.2000110.7R149 V156H147-R149 PolarHBondContact NE2-NE 2.87Å; H147-V156 PolarHBondContact O-N 2.79Å
148C88.3Confident90.5Very high36 Ų3648.6 Ų48.624%0.24326%0.263CS..EExtended strand (participates in β ladder)trans-108.6135.4170.4-176.20000109.9G146 L155 F178G146-C148 PolarHBondContact O-N 2.82Å; C148-L155 HydrophobicContact CB-CB 4.21Å; C148-F178 HydrophobicContact CB-CZ 4.08Å
149R87.2Confident90.2Very high140 Ų14045.2 Ų45.253%0.52824%0.241SC..EExtended strand (participates in β ladder)trans-11996.8173.7-64.5-180-178.4174.9-1.1108H147 S151 S152 R153 F154H147-R149 PolarHBondContact NE2-NE 2.87Å; R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.96Å; R149-S152 VanDerWaalsContact CB-OG 3.28Å; R149-S152 WeakPolarHBondContact CB-OG 3.43Å; R149-S152 PolarHBondContact O-N 3.18Å; R149-R153 WeakPolarHBondContact O-CA 3.4Å; R149-R153 PolarHBondContact O-N 3.42Å; R149-F154 PolarHBondContact N-O 3.37Å; R149-F154 PolarHBondContact O-N 3.47Å
150L80.3Confident89.8Confident126 Ų12647.8 Ų47.866%0.6626%0.255SS*.THydrogen-bonded Turntrans-64.6-34.9-176.8-66.5173.4000112.8S152 R153 I175L150-S152 PolarHBondContact O-N 2.83Å; L150-R153 WeakPolarHBondContact O-CG 3.44Å; L150-R153 PolarHBondContact O-N 3.21Å; L150-I175 HydrophobicContact CD2-CG2 4.37Å
151S80.3Confident89.3Confident110 Ų11049.8 Ų49.877%0.76926%0.259SS*.THydrogen-bonded Turntrans-62.4-43.7-18053.40000112.4R149R149-S151 VanDerWaalsContact C-N 3.32Å; R149-S151 PolarHBondContact O-N 2.96Å
152S77.5Confident89.1Confident44 Ų4451 Ų5131%0.30827%0.272SS..THydrogen-bonded Turntrans-98.2-0.4-18053.60000113.8R149 L150 F154R149-S152 VanDerWaalsContact CB-OG 3.28Å; R149-S152 WeakPolarHBondContact CB-OG 3.43Å; R149-S152 PolarHBondContact O-N 3.18Å; L150-S152 PolarHBondContact O-N 2.83Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 WeakPolarHBondContact O-CD2 3.3Å; S152-F154 WeakPolarHBondContact O-CE2 3.24Å; S152-F154 PolarHBondContact O-N 3.15Å; S152-F154 WeakPolarHBondContact OG-CD2 3.27Å
153R87Confident89.1Confident47 Ų4751 Ų5118%0.17727%0.272CS..THydrogen-bonded Turntrans54.540.9177-54.1177.376.8104.7-19.7114.3R149 L150 C168 L173 Q174 I175R149-R153 WeakPolarHBondContact O-CA 3.4Å; R149-R153 PolarHBondContact O-N 3.42Å; L150-R153 WeakPolarHBondContact O-CG 3.44Å; L150-R153 PolarHBondContact O-N 3.21Å; R153-C168 HydrophobicContact CB-CB 4.37Å; R153-C168 WeakPolarHBondContact CB-O 3.2Å; R153-C168 WeakPolarHBondContact CD-O 3.38Å; R153-C168 PolarHBondContact NE-O 3.29Å; R153-C168 PolarHBondContact O-N 3.35Å; R153-L173 PolarHBondContact NH2-O 3.11Å; R153-Q174 VanDerWaalsContact NH2-CA 3.29Å; R153-I175 HydrophobicContact CB-CD1 3.98Å
154F92.2Very high89.2Confident45 Ų4550.9 Ų50.920%0.19727%0.271CS..EExtended strand (participates in β ladder)trans-109.3141.3170.7-61.6-75.3000110.1R149 S152 Q165 I166 Y167 E208R149-F154 PolarHBondContact N-O 3.37Å; R149-F154 PolarHBondContact O-N 3.47Å; S152-F154 VanDerWaalsContact C-N 3.29Å; S152-F154 WeakPolarHBondContact O-CD2 3.3Å; S152-F154 WeakPolarHBondContact O-CE2 3.24Å; S152-F154 PolarHBondContact O-N 3.15Å; S152-F154 WeakPolarHBondContact OG-CD2 3.27Å; F154-Q165 HydrophobicContact CB-CG 4.42Å; F154-Q165 HydrophobicContact CD1-CG 3.87Å; F154-Q165 HydrophobicContact CG-CG 4.5Å; F154-I166 WeakPolarHBondContact CA-O 3.28Å; F154-Y167 AromaticContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CG 4.23Å; F154-Y167 AromaticContact CE1-CD2 3.14Å; F154-Y167 HydrophobicContact CE1-CD2 3.14Å; F154-Y167 AromaticContact CE1-CE2 3.96Å; F154-Y167 HydrophobicContact CE1-CE2 3.96Å; F154-Y167 AromaticContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE2-CD2 4.46Å; F154-Y167 HydrophobicContact CG-CD2 4.48Å; F154-Y167 AromaticContact CZ-CD2 3.61Å; F154-Y167 HydrophobicContact CZ-CD2 3.61Å; F154-Y167 AromaticContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CG 4.5Å; F154-E208 WeakPolarHBondContact CE1-OE2 3.36Å
155L93.4Very high89.3Confident0 Ų048.8 Ų48.80%026%0.264CS..EExtended strand (participates in β ladder)trans-130.5143.8163.266.687.6000109.3C148 L157 I166 I175 F178 L184C148-L155 HydrophobicContact CB-CB 4.21Å; L155-L157 HydrophobicContact CD1-CB 4.16Å; L155-L157 HydrophobicContact CD1-CD1 4.49Å; L155-I166 HydrophobicContact CD1-CB 3.72Å; L155-I166 HydrophobicContact CD1-CG1 3.6Å; L155-I166 HydrophobicContact CD1-CG2 4.45Å; L155-I166 HydrophobicContact CG-CB 3.87Å; L155-I166 HydrophobicContact CG-CG1 4.33Å; L155-I166 HydrophobicContact CG-CG2 4.4Å; L155-I166 PolarHBondContact N-O 3.13Å; L155-I166 PolarHBondContact O-N 3.21Å; L155-I175 HydrophobicContact CD2-CG2 4.21Å; L155-F178 HydrophobicContact CD2-CE1 4.16Å; L155-F178 HydrophobicContact CD2-CZ 4.33Å; L155-L184 HydrophobicContact CD1-CD1 4.42Å; L155-L184 HydrophobicContact CD2-CD1 4.35Å
156V94.6Very high89.5Confident33 Ų3348.6 Ų48.620%0.226%0.263CS..EExtended strand (participates in β ladder)trans-94.2113.5171.8178.50000107.5G146 H147 I164 M202G146-V156 PolarHBondContact N-O 3.11Å; H147-V156 PolarHBondContact O-N 2.79Å; V156-I164 CarbonylContact C-O 3.6Å; V156-I164 WeakPolarHBondContact CA-O 3.45Å; V156-M202 HydrophobicContact CG1-CE 4.28Å
157L95.3Very high89.9Confident0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-88.5133.8172.9-164.970.4000108.8V141 L155 S163 I164 I166 L184 V186V141-L157 HydrophobicContact CB-CD2 4.27Å; V141-L157 HydrophobicContact CG2-CD2 3.66Å; L155-L157 HydrophobicContact CD1-CB 4.16Å; L155-L157 HydrophobicContact CD1-CD1 4.49Å; L157-S163 CarbonylContact O-C 3.48Å; L157-S163 WeakPolarHBondContact O-CA 3.38Å; L157-S163 WeakPolarHBondContact O-CB 3.35Å; L157-I164 HydrophobicContact CB-CG2 4.4Å; L157-I164 PolarHBondContact N-O 2.79Å; L157-I164 PolarHBondContact O-N 3.13Å; L157-I166 HydrophobicContact CB-CD1 4.4Å; L157-I166 HydrophobicContact CB-CG1 3.95Å; L157-L184 HydrophobicContact CD1-CB 3.91Å; L157-L184 HydrophobicContact CD1-CD1 4.2Å; L157-L184 HydrophobicContact CD1-CG 4.42Å; L157-V186 HydrophobicContact CD2-CG2 4.13Å
158R93.9Very high90.3Very high57 Ų5744.1 Ų44.122%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-121.6134.2-178.6177.4-179.266.9134.31.3109.8G143 W144 G162 E181 R247G143-R158 CarbonylContact C-O 3.59Å; G143-R158 WeakPolarHBondContact CA-O 3.24Å; W144-R158 PolarHBondContact N-O 3.32Å; W144-R158 PolarHBondContact O-N 3.46Å; R158-G162 CarbonylContact C-O 3.4Å; R158-G162 WeakPolarHBondContact CA-O 3.35Å; R158-E181 IonicContact CZ-OE1 3.3Å; R158-E181 IonicContact NH2-OE1 2.6Å; R158-E181 PolarHBondContact NH2-OE1 3.46Å; R158-E181 IonicContact NH2-OE2 3.85Å; R158-R247 PolarHBondContact NH1-O 3.35Å
159D91.2Very high90.2Very high15 Ų1544.8 Ų44.88%0.0823%0.23CC..  trans-121.1-162.4167.774.6-6.2000110.8K123 A126 C127 R161 G162K123-D159 IonicContact NZ-OD2 3.75Å; A126-D159 VanDerWaalsContact CA-OD2 3.32Å; A126-D159 WeakPolarHBondContact CA-OD2 3.46Å; A126-D159 WeakPolarHBondContact CB-OD2 3.48Å; C127-D159 HydrophobicContact CB-CB 4.28Å; C127-D159 WeakPolarHBondContact CB-OD1 3.4Å; C127-D159 PolarHBondContact N-OD2 3.33Å; D159-R161 PolarHBondContact OD1-N 3.05Å; D159-G162 PolarHBondContact N-O 2.99Å; D159-G162 PolarHBondContact OD1-N 2.93Å
160D85.9Confident89.9Confident55 Ų5545 Ų4529%0.29424%0.235SC..SBendtrans-72-32.7-178.880.9-67.3000111.1K123 R256K123-D160 IonicContact NZ-OD1 3.57Å; D160-R256 PolarHBondContact O-NH1 3.5Å; D160-R256 PolarHBondContact O-NH2 3Å; D160-R256 IonicContact OD2-NH2 3.33Å; D160-R256 PolarHBondContact OD2-NH2 3.31Å; D160-R256 VanDerWaalsContact OD2-NH2 3.11Å
161R85.6Confident90Very high74 Ų7446.2 Ų46.228%0.27924%0.242SC..SBendtrans-90.5-19-177.4-60.6-153.3176.8119.44.9114.6N72 G73 A126 E129 D159N72-R161 PolarHBondContact O-NH2 3.05Å; G73-R161 VanDerWaalsContact C-NH2 3.26Å; G73-R161 PolarHBondContact O-NH2 3.25Å; A126-R161 HydrophobicContact CB-CB 3.97Å; A126-R161 HydrophobicContact CB-CG 3.98Å; E129-R161 VanDerWaalsContact OE1-CD 3.29Å; E129-R161 WeakPolarHBondContact OE1-CD 3.36Å; E129-R161 IonicContact OE1-CZ 3.93Å; E129-R161 IonicContact OE1-NE 3.81Å; E129-R161 IonicContact OE1-NH1 3.51Å; E129-R161 PolarHBondContact OE1-NH1 2.6Å; E129-R161 IonicContact OE2-NH1 2.8Å; D159-R161 PolarHBondContact OD1-N 3.05Å
162G90.4Very high90.1Very high26 Ų2644.5 Ų44.527%0.26823%0.23SC..  trans169.4-152.5176.700000113.6R158 D159R158-G162 CarbonylContact C-O 3.4Å; R158-G162 WeakPolarHBondContact CA-O 3.35Å; D159-G162 PolarHBondContact N-O 2.99Å; D159-G162 PolarHBondContact OD1-N 2.93Å
163S94.5Very high90.5Very high33 Ų3344.1 Ų44.123%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-140.3148.4177.354.90000110.7L157 T204L157-S163 CarbonylContact O-C 3.48Å; L157-S163 WeakPolarHBondContact O-CA 3.38Å; L157-S163 WeakPolarHBondContact O-CB 3.35Å; S163-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 PolarHBondContact O-OG1 3.37Å
164I96.4Very high90.5Very high0 Ų049.2 Ų49.20%025%0.25CS..EExtended strand (participates in β ladder)trans-135.8149.7177.6-168.2158.6000110.4C127 L130 V156 L157 I166 I207 I209C127-I164 HydrophobicContact CB-CB 4.3Å; C127-I164 HydrophobicContact CB-CG2 3.85Å; L130-I164 HydrophobicContact CB-CD1 3.86Å; L130-I164 HydrophobicContact CD1-CD1 3.4Å; L130-I164 VanDerWaalsContact CD1-CD1 3.4Å; L130-I164 HydrophobicContact CG-CD1 4.27Å; V156-I164 CarbonylContact C-O 3.6Å; V156-I164 WeakPolarHBondContact CA-O 3.45Å; L157-I164 HydrophobicContact CB-CG2 4.4Å; L157-I164 PolarHBondContact N-O 2.79Å; L157-I164 PolarHBondContact O-N 3.13Å; I164-I166 HydrophobicContact CG2-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CG1 4.49Å; I164-I209 HydrophobicContact CD1-CD1 3.78Å; I164-I209 HydrophobicContact CD1-CG1 3.86Å; I164-I209 HydrophobicContact CG1-CD1 4.37Å; I164-I209 HydrophobicContact CG1-CG1 4.45Å; I164-I209 HydrophobicContact CG2-CD1 4.17Å
165Q96.3Very high90.2Very high26 Ų2648.2 Ų48.212%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-85132.6174.2-179165.3-62.900109.9F154 E208 I209F154-Q165 HydrophobicContact CB-CG 4.42Å; F154-Q165 HydrophobicContact CD1-CG 3.87Å; F154-Q165 HydrophobicContact CG-CG 4.5Å; Q165-E208 HydrophobicContact CB-CB 4.09Å; Q165-E208 HydrophobicContact CG-CB 4.2Å; Q165-E208 PolarHBondContact NE2-OE2 3.42Å; Q165-E208 CarbonylContact O-C 3.59Å; Q165-E208 WeakPolarHBondContact O-CA 3.46Å; Q165-E208 WeakPolarHBondContact O-CB 3.33Å; Q165-I209 PolarHBondContact O-N 2.92Å
166I96.1Very high90Very high0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-107.6126.9170.8-50.9-56.8000107.2V141 F154 L155 L157 I164 V186 I209 A211V141-I166 HydrophobicContact CG2-CD1 4.18Å; F154-I166 WeakPolarHBondContact CA-O 3.28Å; L155-I166 HydrophobicContact CD1-CB 3.72Å; L155-I166 HydrophobicContact CD1-CG1 3.6Å; L155-I166 HydrophobicContact CD1-CG2 4.45Å; L155-I166 HydrophobicContact CG-CB 3.87Å; L155-I166 HydrophobicContact CG-CG1 4.33Å; L155-I166 HydrophobicContact CG-CG2 4.4Å; L155-I166 PolarHBondContact N-O 3.13Å; L155-I166 PolarHBondContact O-N 3.21Å; L157-I166 HydrophobicContact CB-CD1 4.4Å; L157-I166 HydrophobicContact CB-CG1 3.95Å; I164-I166 HydrophobicContact CG2-CD1 4.08Å; I166-V186 HydrophobicContact CD1-CB 4.47Å; I166-V186 HydrophobicContact CD1-CG1 4.13Å; I166-V186 HydrophobicContact CG1-CG1 4.44Å; I166-V186 HydrophobicContact CG1-CG2 4.48Å; I166-V186 HydrophobicContact CG2-CG1 3.82Å; I166-I209 CarbonylContact C-O 3.59Å; I166-I209 WeakPolarHBondContact CA-O 3.46Å; I166-I209 HydrophobicContact CD1-CB 3.74Å; I166-I209 HydrophobicContact CD1-CD1 3.76Å; I166-I209 HydrophobicContact CD1-CG1 4.22Å; I166-I209 HydrophobicContact CD1-CG2 4.33Å; I166-A211 HydrophobicContact CG2-CB 3.71Å
167Y95.2Very high89.7Confident59 Ų5957.4 Ų57.423%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-104.7128.9173.4175.6-119.5000109.6F154 D169 I209 V210 A211F154-Y167 AromaticContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CD2 3.64Å; F154-Y167 HydrophobicContact CD1-CG 4.23Å; F154-Y167 AromaticContact CE1-CD2 3.14Å; F154-Y167 HydrophobicContact CE1-CD2 3.14Å; F154-Y167 AromaticContact CE1-CE2 3.96Å; F154-Y167 HydrophobicContact CE1-CE2 3.96Å; F154-Y167 AromaticContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE1-CG 3.74Å; F154-Y167 HydrophobicContact CE2-CD2 4.46Å; F154-Y167 HydrophobicContact CG-CD2 4.48Å; F154-Y167 AromaticContact CZ-CD2 3.61Å; F154-Y167 HydrophobicContact CZ-CD2 3.61Å; F154-Y167 AromaticContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CE2 3.95Å; F154-Y167 HydrophobicContact CZ-CG 4.5Å; Y167-D169 HydrophobicContact CE1-CB 3.95Å; Y167-D169 PolarHBondContact OH-OD1 3.46Å; Y167-I209 PolarHBondContact N-O 3.21Å; Y167-V210 HydrophobicContact CD1-CG1 4.48Å; Y167-V210 HydrophobicContact CD1-CG2 4.34Å; Y167-V210 WeakPolarHBondContact O-CA 3.48Å; Y167-A211 PolarHBondContact O-N 2.94Å
168C94.2Very high89.5Confident0 Ų059.3 Ų59.30%030%0.299CS..  trans-113.7103.3177.4-61.40000109.4R153 I175 I214R153-C168 HydrophobicContact CB-CB 4.37Å; R153-C168 WeakPolarHBondContact CB-O 3.2Å; R153-C168 WeakPolarHBondContact CD-O 3.38Å; R153-C168 PolarHBondContact NE-O 3.29Å; R153-C168 PolarHBondContact O-N 3.35Å; C168-I175 HydrophobicContact CB-CD1 4.18Å; C168-I175 HydrophobicContact CB-CG1 3.62Å; C168-I214 VanDerWaalsContact SG-CD1 3.6Å
169D88.1Confident89.3Confident51 Ų5160.7 Ų60.727%0.27331%0.311SS..  trans-63.3143.8179.5-176.333.8000111.3Y167 N171 S172 L173Y167-D169 HydrophobicContact CE1-CB 3.95Å; Y167-D169 PolarHBondContact OH-OD1 3.46Å; D169-N171 PolarHBondContact O-N 3.29Å; D169-S172 WeakPolarHBondContact CB-OG 3.34Å; D169-S172 PolarHBondContact O-N 3Å; D169-L173 PolarHBondContact O-N 3.31Å; D169-L173 VanDerWaalsContact O-N 3.14Å
170K80.2Confident89.2Confident143 Ų14363.4 Ų63.462%0.62233%0.331SS*.THydrogen-bonded Turntrans-60.9-34.8-175-77.6-179.9-179.4-179.80112.3
171N82.2Confident89.5Confident152 Ų15261.4 Ų61.481%0.81332%0.32SS*.THydrogen-bonded Turntrans-86-29.1-173.4-62.5-23.9000112.5D169D169-N171 PolarHBondContact O-N 3.29Å
172S82.1Confident89.9Confident74 Ų7458 Ų5852%0.51731%0.307SS..THydrogen-bonded Turntrans-94.9-43.1-174.264.20000113.5D169D169-S172 WeakPolarHBondContact CB-OG 3.34Å; D169-S172 PolarHBondContact O-N 3Å
173L86.5Confident90.1Very high37 Ų3758.4 Ų58.419%0.19431%0.305CS..  trans-150.5128-169-166.668.2000112.9R153 D169 A211 I214R153-L173 PolarHBondContact NH2-O 3.11Å; D169-L173 PolarHBondContact O-N 3.31Å; D169-L173 VanDerWaalsContact O-N 3.14Å; L173-A211 HydrophobicContact CD2-CB 3.67Å; L173-I214 HydrophobicContact CD2-CB 4.43Å; L173-I214 HydrophobicContact CD2-CD1 3.77Å; L173-I214 HydrophobicContact CD2-CG1 3.74Å
174Q85.9Confident90.1Very high154 Ų15456.9 Ų56.972%0.7229%0.294SS*.PPolyproline II helixtrans-83136169.5-62.8-1711.400111.2R153 P176R153-Q174 VanDerWaalsContact NH2-CA 3.29Å; Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å
175I87.4Confident90Very high23 Ų2357.8 Ų57.812%0.11830%0.299CS..PPolyproline II helixtrans-66.8117.3172-63177.7000107.1L150 R153 L155 C168 F178L150-I175 HydrophobicContact CD2-CG2 4.37Å; R153-I175 HydrophobicContact CB-CD1 3.98Å; L155-I175 HydrophobicContact CD2-CG2 4.21Å; C168-I175 HydrophobicContact CB-CD1 4.18Å; C168-I175 HydrophobicContact CB-CG1 3.62Å; I175-F178 HydrophobicContact CG2-CE1 3.79Å
176P88.3Confident89.9Confident42 Ų4256.6 Ų56.627%0.27329%0.293SS..PPolyproline II helixtrans-67.5154.9178.329.3-35000110.5Q174 F178 I214 I216Q174-P176 VanDerWaalsContact O-CD 3.27Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-F178 WeakPolarHBondContact O-CD1 3.42Å; P176-F178 PolarHBondContact O-N 3.38Å; P176-I214 HydrophobicContact CG-CB 4.22Å; P176-I214 HydrophobicContact CG-CG2 3.67Å; P176-I216 HydrophobicContact CB-CD1 3.8Å; P176-I216 HydrophobicContact CG-CD1 3.81Å; P176-I216 HydrophobicContact CG-CG1 4.26Å
177Q89Confident89.9Confident185 Ų18558.1 Ų58.186%0.86430%0.303SS*.PPolyproline II helixtrans-72.5129.3173.8-66.5-177.3-300110
178F90.4Very high90Very high40 Ų4055.3 Ų55.318%0.17529%0.292CS..  trans-143152.5177.254.3-102.1000111.3P145 C148 L155 I175 P176 L184 I216P145-F178 HydrophobicContact CB-CD2 4.06Å; P145-F178 HydrophobicContact CB-CE2 3.45Å; P145-F178 VanDerWaalsContact CB-CE2 3.45Å; P145-F178 HydrophobicContact CB-CZ 3.8Å; P145-F178 HydrophobicContact CG-CD2 3.54Å; P145-F178 HydrophobicContact CG-CE2 3.48Å; P145-F178 VanDerWaalsContact CG-CE2 3.48Å; P145-F178 HydrophobicContact CG-CG 4.31Å; P145-F178 HydrophobicContact CG-CZ 4.2Å; C148-F178 HydrophobicContact CB-CZ 4.08Å; L155-F178 HydrophobicContact CD2-CE1 4.16Å; L155-F178 HydrophobicContact CD2-CZ 4.33Å; I175-F178 HydrophobicContact CG2-CE1 3.79Å; P176-F178 WeakPolarHBondContact O-CD1 3.42Å; P176-F178 PolarHBondContact O-N 3.38Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CD1-CD1 4.14Å; F178-L184 HydrophobicContact CD1-CD2 4.17Å; F178-L184 HydrophobicContact CE1-CD1 4.03Å; F178-L184 HydrophobicContact CG-CD2 4.34Å; F178-L184 HydrophobicContact CZ-CD1 4.38Å; F178-I216 HydrophobicContact CB-CD1 4.08Å
179N89.7Confident90.1Very high85 Ų8559.5 Ų59.546%0.45531%0.31SS..  trans-78.6152.6171.1-65.9-11.9000109.6E181 S182 S220N179-E181 PolarHBondContact O-N 2.92Å; N179-S182 PolarHBondContact N-OG 3.13Å; N179-S182 VanDerWaalsContact O-CB 3.29Å; N179-S182 WeakPolarHBondContact O-CB 3.32Å; N179-S182 PolarHBondContact O-N 3.11Å; N179-S182 VanDerWaalsContact O-N 3.09Å; N179-S182 PolarHBondContact O-OG 3.07Å; N179-S220 WeakPolarHBondContact CB-O 3.34Å; N179-S220 PolarHBondContact ND2-O 3.38Å
180S88.8Confident90.5Very high72 Ų7257.1 Ų57.150%0.50330%0.297SS..THydrogen-bonded Turntrans-53.9139.4171.1-60.50000110.5S182 S220S180-S182 PolarHBondContact O-N 2.92Å; S180-S220 WeakPolarHBondContact O-CB 3.42Å; S180-S220 PolarHBondContact O-OG 3.43Å
181E92.1Very high91.3Very high14 Ų1453.3 Ų53.37%0.06528%0.281CS..THydrogen-bonded Turntrans63.717.8-176.6-62.2-76.4132.800115.5W144 R158 N179 S220 L223 L226 P227 R247W144-E181 VanDerWaalsContact CD1-O 3.26Å; R158-E181 IonicContact CZ-OE1 3.3Å; R158-E181 IonicContact NH2-OE1 2.6Å; R158-E181 PolarHBondContact NH2-OE1 3.46Å; R158-E181 IonicContact NH2-OE2 3.85Å; N179-E181 PolarHBondContact O-N 2.92Å; E181-S220 VanDerWaalsContact C-CB 3.49Å; E181-L223 HydrophobicContact CB-CD1 3.65Å; E181-L223 HydrophobicContact CG-CD1 3.65Å; E181-L226 HydrophobicContact CG-CD2 4.22Å; E181-P227 HydrophobicContact CG-CG 4.26Å; E181-R247 VanDerWaalsContact OE2-CD 3.32Å; E181-R247 WeakPolarHBondContact OE2-CD 3.47Å; E181-R247 IonicContact OE2-CZ 3.81Å; E181-R247 IonicContact OE2-NH1 2.82Å; E181-R247 PolarHBondContact OE2-NH1 2.89Å
182S94Very high92Very high1 Ų148.6 Ų48.61%0.00726%0.263CS..  trans-64160.8163.2-56.70000110.5P145 N179 S180 S218 S220P145-S182 WeakPolarHBondContact CD-O 3.26Å; N179-S182 PolarHBondContact N-OG 3.13Å; N179-S182 VanDerWaalsContact O-CB 3.29Å; N179-S182 WeakPolarHBondContact O-CB 3.32Å; N179-S182 PolarHBondContact O-N 3.11Å; N179-S182 VanDerWaalsContact O-N 3.09Å; N179-S182 PolarHBondContact O-OG 3.07Å; S180-S182 PolarHBondContact O-N 2.92Å; S182-S218 WeakPolarHBondContact CB-O 3.48Å; S182-S220 PolarHBondContact OG-N 3.42Å; S182-S220 VanDerWaalsContact OG-N 3.08Å
183V94.1Very high92.6Very high36 Ų3645.8 Ų45.822%0.21824%0.241CC..EExtended strand (participates in β ladder)trans-94.1127175.6-179.30000108.4P217 S218V183-P217 HydrophobicContact CB-CG 4.18Å; V183-P217 HydrophobicContact CG1-CG 3.84Å; V183-P217 WeakPolarHBondContact O-CD 3.4Å; V183-S218 PolarHBondContact N-O 3.22Å
184L94.5Very high92.9Very high0 Ų046.8 Ų46.80%025%0.25CS..EExtended strand (participates in β ladder)trans-115.7139.1174.6-55.3-177.2000110.2C142 G143 P145 L155 L157 F178 V186 I214 E215 I216C142-L184 WeakPolarHBondContact CA-O 3.37Å; G143-L184 PolarHBondContact N-O 2.92Å; G143-L184 PolarHBondContact O-N 2.96Å; P145-L184 HydrophobicContact CB-CD1 3.72Å; P145-L184 HydrophobicContact CB-CG 4.45Å; P145-L184 HydrophobicContact CG-CD1 3.83Å; P145-L184 HydrophobicContact CG-CG 4.06Å; L155-L184 HydrophobicContact CD1-CD1 4.42Å; L155-L184 HydrophobicContact CD2-CD1 4.35Å; L157-L184 HydrophobicContact CD1-CB 3.91Å; L157-L184 HydrophobicContact CD1-CD1 4.2Å; L157-L184 HydrophobicContact CD1-CG 4.42Å; F178-L184 HydrophobicContact CB-CD2 4.39Å; F178-L184 HydrophobicContact CD1-CD1 4.14Å; F178-L184 HydrophobicContact CD1-CD2 4.17Å; F178-L184 HydrophobicContact CE1-CD1 4.03Å; F178-L184 HydrophobicContact CG-CD2 4.34Å; F178-L184 HydrophobicContact CZ-CD1 4.38Å; L184-V186 HydrophobicContact CB-CG2 4.39Å; L184-I214 HydrophobicContact CD2-CG2 4.42Å; L184-E215 WeakPolarHBondContact CA-O 3.31Å; L184-I216 HydrophobicContact CD2-CB 4.31Å; L184-I216 HydrophobicContact CD2-CD1 4.12Å; L184-I216 HydrophobicContact CD2-CG1 3.63Å; L184-I216 HydrophobicContact CD2-CG2 4.15Å
185I94.7Very high93.3Very high20 Ų2048.4 Ų48.410%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-110.6124.4165-57.9172.7000106.5T140 C142 I214 E215 P217T140-I185 HydrophobicContact CG2-CG2 3.68Å; C142-I185 HydrophobicContact CB-CG1 4.2Å; I185-I214 WeakPolarHBondContact O-CA 3.39Å; I185-E215 HydrophobicContact CB-CB 4.3Å; I185-E215 PolarHBondContact N-O 2.97Å; I185-E215 PolarHBondContact O-N 3.26Å; I185-P217 HydrophobicContact CD1-CG 3.9Å; I185-P217 HydrophobicContact CG1-CG 4.04Å
186V95.2Very high93.6Very high0 Ų055.8 Ų55.80%029%0.289CS..EExtended strand (participates in β ladder)trans-123.5123.7-177.4-175.70000108.7T140 V141 L157 I166 L184 A211 S213 I214T140-V186 CarbonylContact C-O 3.55Å; T140-V186 VanDerWaalsContact CA-O 3.31Å; T140-V186 WeakPolarHBondContact CA-O 3.44Å; V141-V186 HydrophobicContact CG2-CB 4.07Å; V141-V186 PolarHBondContact N-O 3.02Å; V141-V186 PolarHBondContact O-N 2.83Å; L157-V186 HydrophobicContact CD2-CG2 4.13Å; I166-V186 HydrophobicContact CD1-CB 4.47Å; I166-V186 HydrophobicContact CD1-CG1 4.13Å; I166-V186 HydrophobicContact CG1-CG1 4.44Å; I166-V186 HydrophobicContact CG1-CG2 4.48Å; I166-V186 HydrophobicContact CG2-CG1 3.82Å; L184-V186 HydrophobicContact CB-CG2 4.39Å; V186-A211 HydrophobicContact CG1-CB 3.89Å; V186-S213 WeakPolarHBondContact CA-O 3.42Å; V186-I214 HydrophobicContact CG1-CG1 4.17Å; V186-I214 HydrophobicContact CG2-CG1 4.13Å; V186-I214 HydrophobicContact CG2-CG2 4.48Å
187T95.6Very high93.8Very high33 Ų3357.3 Ų57.320%0.20230%0.295CS..EExtended strand (participates in β ladder)trans-108.3135.3169.1-59.80000108.9T138 V139 T140 E212 S213T138-T187 HydrophobicContact CG2-CG2 4.12Å; V139-T187 WeakPolarHBondContact O-CA 3.48Å; T140-T187 WeakPolarHBondContact CG2-OG1 3.26Å; T140-T187 PolarHBondContact OG1-OG1 2.86Å; T187-E212 PolarHBondContact O-N 3.25Å; T187-S213 PolarHBondContact N-O 3.48Å; T187-S213 PolarHBondContact O-N 3.02Å
188G96Very high94Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-178.2179.2-17900000114T138 V139 V210T138-G188 CarbonylContact C-O 3.57Å; T138-G188 WeakPolarHBondContact CA-O 3.5Å; V139-G188 PolarHBondContact N-O 3.43Å; V139-G188 PolarHBondContact O-N 3.25Å; G188-V210 CarbonylContact C-O 3.6Å; G188-V210 WeakPolarHBondContact CA-O 3.38Å
189K96.9Very high94.2Very high88 Ų8851.6 Ų51.638%0.38327%0.274SS..EExtended strand (participates in β ladder)trans-96.3131.2-177.8-169.2175.1179-179.20111.3N136 S137 I209 V210N136-K189 WeakPolarHBondContact O-CE 3.5Å; N136-K189 VanDerWaalsContact OD1-CE 3.26Å; N136-K189 WeakPolarHBondContact OD1-CE 3.24Å; N136-K189 PolarHBondContact OD1-NZ 2.96Å; S137-K189 WeakPolarHBondContact O-CA 3.06Å; K189-I209 WeakPolarHBondContact O-CA 3.48Å; K189-V210 PolarHBondContact N-O 3.49Å; K189-V210 PolarHBondContact O-N 2.65Å
190V97.5Very high94.4Very high0 Ų057.2 Ų57.20%029%0.294CS..EExtended strand (participates in β ladder)trans-73.3129.8174.8-177.60000109.7L130 H134 N136 S137 V139 I207 E208 I209L130-V190 HydrophobicContact CD2-CG2 4.41Å; H134-V190 HydrophobicContact CB-CG1 4.44Å; H134-V190 HydrophobicContact CB-CG2 4.41Å; H134-V190 VanDerWaalsContact O-CB 3.27Å; H134-V190 WeakPolarHBondContact O-CB 3.33Å; N136-V190 PolarHBondContact N-O 3.38Å; S137-V190 PolarHBondContact O-N 2.96Å; V139-V190 HydrophobicContact CB-CG2 4.4Å; V139-V190 HydrophobicContact CG1-CG2 3.87Å; V139-V190 HydrophobicContact CG2-CG2 3.59Å; V190-I207 HydrophobicContact CG1-CB 4.28Å; V190-I207 HydrophobicContact CG1-CD1 4.19Å; V190-E208 WeakPolarHBondContact CA-O 3.29Å; V190-I209 HydrophobicContact CG2-CG1 4.27Å
191Q96.5Very high94.6Very high64 Ų6465.1 Ų65.130%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-130.4157173.673178.6700111.5I207 E208 V210Q191-I207 CarbonylContact O-C 3.26Å; Q191-I207 VanDerWaalsContact O-CA 3.3Å; Q191-I207 WeakPolarHBondContact O-CA 3.49Å; Q191-E208 HydrophobicContact CG-CG 3.61Å; Q191-E208 PolarHBondContact N-O 2.71Å; Q191-E208 PolarHBondContact NE2-OE1 2.93Å; Q191-E208 PolarHBondContact O-N 2.87Å; Q191-V210 HydrophobicContact CB-CG2 4.37Å; Q191-V210 HydrophobicContact CG-CG2 3.71Å; Q191-V210 VanDerWaalsContact NE2-CG2 3.3Å
192A96.8Very high94.6Very high52 Ų5266 Ų6643%0.4332%0.317SS..EExtended strand (participates in β ladder)trans-69.7141.1167.400000109.6I135I135-A192 HydrophobicContact CD1-CB 4.03Å
193R95.3Very high94.5Very high15 Ų1571.9 Ų71.96%0.05736%0.355CS..PPolyproline II helixtrans-69.2150.1170-63.7-169-162-1641.2109.8D197 V198 T204 G205 E206 I207 E208R193-D197 WeakPolarHBondContact CD-O 3.22Å; R193-V198 HydrophobicContact CB-CG2 4.44Å; R193-T204 PolarHBondContact NH2-O 2.87Å; R193-G205 VanDerWaalsContact CD-O 3.24Å; R193-G205 WeakPolarHBondContact CD-O 3.45Å; R193-G205 PolarHBondContact NE-O 2.82Å; R193-E206 PolarHBondContact N-O 3.19Å; R193-I207 PolarHBondContact NE-O 2.78Å; R193-I207 PolarHBondContact NH2-O 2.91Å; R193-E208 HydrophobicContact CG-CB 4.11Å; R193-E208 HydrophobicContact CG-CG 4.02Å
194P93.3Very high94.5Very high59 Ų5970.3 Ų70.338%0.38335%0.346SS..PPolyproline II helixtrans-52.9143.6165.1-23.433.6000110.6K196 D197 V198P194-K196 HydrophobicContact CB-CG 4.05Å; P194-K196 PolarHBondContact O-N 3.4Å; P194-D197 PolarHBondContact O-N 3.33Å; P194-V198 PolarHBondContact O-N 2.86Å
195E93.3Very high94.6Very high188 Ų18870.4 Ų70.488%0.87935%0.347SS*.G310 helixtrans-52.8-36.2-175.1-65.8-176.6169.900113.3D197E195-D197 VanDerWaalsContact C-N 3.28Å; E195-D197 PolarHBondContact O-N 3.35Å
196K93.4Very high94.7Very high178 Ų17874.8 Ų74.877%0.77437%0.367SS*.G310 helixtrans-66.1-23.7176.962.2176-174.3-179.80114.5P194P194-K196 HydrophobicContact CB-CG 4.05Å; P194-K196 PolarHBondContact O-N 3.4Å
197D92.3Very high94.8Very high74 Ų7474.9 Ų74.940%0.39637%0.367SS..G310 helixtrans-107.65.8-172.5-63.1-42.1000112.4R193 P194 E195 N199R193-D197 WeakPolarHBondContact CD-O 3.22Å; P194-D197 PolarHBondContact O-N 3.33Å; E195-D197 VanDerWaalsContact C-N 3.28Å; E195-D197 PolarHBondContact O-N 3.35Å; D197-N199 PolarHBondContact O-N 3.29Å
198V94.8Very high94.8Very high51 Ų5173.6 Ų73.631%0.30936%0.359SS..  trans-65.2120.3175.91750000110.3R193 P194 G205 E206R193-V198 HydrophobicContact CB-CG2 4.44Å; P194-V198 PolarHBondContact O-N 2.86Å; V198-G205 WeakPolarHBondContact CA-O 3.5Å; V198-E206 HydrophobicContact CG1-CG 3.91Å
199N93.6Very high94.9Very high53 Ų5373.6 Ų73.628%0.28336%0.359SS..  trans-101.992.1-177.1-175.2-1.2000112.5D197 R201 M202 G205D197-N199 PolarHBondContact O-N 3.29Å; N199-R201 PolarHBondContact O-N 3.43Å; N199-R201 WeakPolarHBondContact OD1-CB 3.3Å; N199-R201 PolarHBondContact OD1-N 3.48Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; N199-M202 PolarHBondContact ND2-SD 3.38Å; N199-M202 PolarHBondContact O-N 2.91Å; N199-G205 PolarHBondContact N-O 3.16Å; N199-G205 VanDerWaalsContact O-CA 3.25Å; N199-G205 WeakPolarHBondContact O-CA 3.43Å
200K93.5Very high94.8Very high203 Ų20371 Ų7188%0.88335%0.35SS*.THydrogen-bonded Turntrans-59.6-12179.6-60-175.3-178.4-178.10115.4
201R92.7Very high94.8Very high239 Ų23971 Ų7190%0.90235%0.351SS*.THydrogen-bonded Turntrans-84-15.4177.1-59.4-177.8179.1-175.2-0113.1N199N199-R201 PolarHBondContact O-N 3.43Å; N199-R201 WeakPolarHBondContact OD1-CB 3.3Å; N199-R201 PolarHBondContact OD1-N 3.48Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å
202M91.8Very high94.7Very high31 Ų3173.2 Ų73.215%0.15336%0.361CS..SBendtrans-107.9135.4179.3-70.2178.56200109.8V156 N199 T204 G205V156-M202 HydrophobicContact CG1-CE 4.28Å; N199-M202 PolarHBondContact ND2-SD 3.38Å; N199-M202 PolarHBondContact O-N 2.91Å; M202-T204 PolarHBondContact O-N 2.98Å; M202-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 PolarHBondContact O-N 3.45Å
203P92.5Very high94.6Very high125 Ų12572.8 Ų72.881%0.81236%0.355SS*.THydrogen-bonded Turntrans-56.8-36.9173.2-26.635.4000113.2G205P203-G205 PolarHBondContact O-N 2.89Å
204T95.6Very high94.6Very high4 Ų473.3 Ų73.33%0.02536%0.358CS..THydrogen-bonded Turntrans-90.623.2174.774.40000112.1C127 S163 R193 M202 E206 I207C127-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 WeakPolarHBondContact O-CG2 3.29Å; S163-T204 PolarHBondContact O-OG1 3.37Å; R193-T204 PolarHBondContact NH2-O 2.87Å; M202-T204 PolarHBondContact O-N 2.98Å; T204-E206 PolarHBondContact O-N 3.09Å; T204-I207 PolarHBondContact O-N 2.87Å
205G95.2Very high94.6Very high1 Ų176 Ų761%0.0137%0.366CS..THydrogen-bonded Turntrans-68.7-18-169.800000115R193 V198 N199 M202 P203R193-G205 VanDerWaalsContact CD-O 3.24Å; R193-G205 WeakPolarHBondContact CD-O 3.45Å; R193-G205 PolarHBondContact NE-O 2.82Å; V198-G205 WeakPolarHBondContact CA-O 3.5Å; N199-G205 PolarHBondContact N-O 3.16Å; N199-G205 VanDerWaalsContact O-CA 3.25Å; N199-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 WeakPolarHBondContact O-CA 3.43Å; M202-G205 PolarHBondContact O-N 3.45Å; P203-G205 PolarHBondContact O-N 2.89Å
206E96.5Very high94.6Very high113 Ų11368.9 Ų68.953%0.52833%0.334SS..THydrogen-bonded Turntrans-88.7-13.3179.7-64.2175.1-174.700112.7T132 R193 V198 T204T132-E206 HydrophobicContact CG2-CB 4.1Å; T132-E206 VanDerWaalsContact CG2-OE2 3.26Å; T132-E206 WeakPolarHBondContact CG2-OE2 3.19Å; R193-E206 PolarHBondContact N-O 3.19Å; V198-E206 HydrophobicContact CG1-CG 3.91Å; T204-E206 PolarHBondContact O-N 3.09Å
207I97.3Very high94.5Very high1 Ų164.3 Ų64.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-128.7161-174.261.3165.6000112.1L130 T132 I135 I164 V190 Q191 R193 T204L130-I207 HydrophobicContact CB-CD1 3.69Å; T132-I207 HydrophobicContact CG2-CG2 4.06Å; I135-I207 HydrophobicContact CD1-CG2 4.48Å; I135-I207 HydrophobicContact CG1-CG2 4.21Å; I164-I207 HydrophobicContact CD1-CD1 4.08Å; I164-I207 HydrophobicContact CD1-CG1 4.49Å; V190-I207 HydrophobicContact CG1-CB 4.28Å; V190-I207 HydrophobicContact CG1-CD1 4.19Å; Q191-I207 CarbonylContact O-C 3.26Å; Q191-I207 VanDerWaalsContact O-CA 3.3Å; Q191-I207 WeakPolarHBondContact O-CA 3.49Å; R193-I207 PolarHBondContact NE-O 2.78Å; R193-I207 PolarHBondContact NH2-O 2.91Å; T204-I207 PolarHBondContact O-N 2.87Å
208E96.8Very high94.4Very high7 Ų763.8 Ų63.83%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-147.5163.1170.462.5-174.6-173.300110.3F154 Q165 V190 Q191 R193F154-E208 WeakPolarHBondContact CE1-OE2 3.36Å; Q165-E208 HydrophobicContact CB-CB 4.09Å; Q165-E208 HydrophobicContact CG-CB 4.2Å; Q165-E208 PolarHBondContact NE2-OE2 3.42Å; Q165-E208 CarbonylContact O-C 3.59Å; Q165-E208 WeakPolarHBondContact O-CA 3.46Å; Q165-E208 WeakPolarHBondContact O-CB 3.33Å; V190-E208 WeakPolarHBondContact CA-O 3.29Å; Q191-E208 HydrophobicContact CG-CG 3.61Å; Q191-E208 PolarHBondContact N-O 2.71Å; Q191-E208 PolarHBondContact NE2-OE1 2.93Å; Q191-E208 PolarHBondContact O-N 2.87Å; R193-E208 HydrophobicContact CG-CB 4.11Å; R193-E208 HydrophobicContact CG-CG 4.02Å
209I96.9Very high94.3Very high0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-104.1122.4174.5-62167.7000108.3L130 V139 V141 I164 Q165 I166 Y167 K189 V190 A211L130-I209 HydrophobicContact CD1-CD1 3.85Å; V139-I209 HydrophobicContact CG2-CD1 3.7Å; V139-I209 HydrophobicContact CG2-CG1 4.03Å; V141-I209 HydrophobicContact CB-CD1 4.5Å; V141-I209 HydrophobicContact CG1-CD1 3.94Å; V141-I209 HydrophobicContact CG2-CD1 3.7Å; I164-I209 HydrophobicContact CD1-CD1 3.78Å; I164-I209 HydrophobicContact CD1-CG1 3.86Å; I164-I209 HydrophobicContact CG1-CD1 4.37Å; I164-I209 HydrophobicContact CG1-CG1 4.45Å; I164-I209 HydrophobicContact CG2-CD1 4.17Å; Q165-I209 PolarHBondContact O-N 2.92Å; I166-I209 CarbonylContact C-O 3.59Å; I166-I209 WeakPolarHBondContact CA-O 3.46Å; I166-I209 HydrophobicContact CD1-CB 3.74Å; I166-I209 HydrophobicContact CD1-CD1 3.76Å; I166-I209 HydrophobicContact CD1-CG1 4.22Å; I166-I209 HydrophobicContact CD1-CG2 4.33Å; Y167-I209 PolarHBondContact N-O 3.21Å; K189-I209 WeakPolarHBondContact O-CA 3.48Å; V190-I209 HydrophobicContact CG2-CG1 4.27Å; I209-A211 PolarHBondContact O-N 3.45Å
210V96.2Very high94.2Very high32 Ų3265 Ų6519%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-76.2109.1166.2-174.50000107.9Y167 G188 K189 Q191 E212Y167-V210 HydrophobicContact CD1-CG1 4.48Å; Y167-V210 HydrophobicContact CD1-CG2 4.34Å; Y167-V210 WeakPolarHBondContact O-CA 3.48Å; G188-V210 CarbonylContact C-O 3.6Å; G188-V210 WeakPolarHBondContact CA-O 3.38Å; K189-V210 PolarHBondContact N-O 3.49Å; K189-V210 PolarHBondContact O-N 2.65Å; Q191-V210 HydrophobicContact CB-CG2 4.37Å; Q191-V210 HydrophobicContact CG-CG2 3.71Å; Q191-V210 VanDerWaalsContact NE2-CG2 3.3Å; V210-E212 PolarHBondContact O-N 3.37Å
211A96.5Very high94.1Very high1 Ų159.1 Ų59.11%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-68.2126.5-177.900000111.3I166 Y167 L173 V186 I209 I214I166-A211 HydrophobicContact CG2-CB 3.71Å; Y167-A211 PolarHBondContact O-N 2.94Å; L173-A211 HydrophobicContact CD2-CB 3.67Å; V186-A211 HydrophobicContact CG1-CB 3.89Å; I209-A211 PolarHBondContact O-N 3.45Å; A211-I214 HydrophobicContact CB-CD1 4.17Å; A211-I214 HydrophobicContact CB-CG1 4.16Å
212E95.2Very high94Very high110 Ų11053.9 Ų53.951%0.51431%0.308SS..EExtended strand (participates in β ladder)trans-95.6-38.6170-68170.6-175.700110.2T187 V210T187-E212 PolarHBondContact O-N 3.25Å; V210-E212 PolarHBondContact O-N 3.37Å
213S94.1Very high93.9Very high43 Ų4354.6 Ų54.630%0.30131%0.312SS..EExtended strand (participates in β ladder)trans-142.5148.2173.171.20000112.2V186 T187V186-S213 WeakPolarHBondContact CA-O 3.42Å; T187-S213 PolarHBondContact N-O 3.48Å; T187-S213 PolarHBondContact O-N 3.02Å
214I94.4Very high93.9Very high26 Ų2651.9 Ų51.913%0.13330%0.296CS..EExtended strand (participates in β ladder)trans-131.3121.7173.2-62.8167.8000108C168 L173 P176 L184 I185 V186 A211C168-I214 VanDerWaalsContact SG-CD1 3.6Å; L173-I214 HydrophobicContact CD2-CB 4.43Å; L173-I214 HydrophobicContact CD2-CD1 3.77Å; L173-I214 HydrophobicContact CD2-CG1 3.74Å; P176-I214 HydrophobicContact CG-CB 4.22Å; P176-I214 HydrophobicContact CG-CG2 3.67Å; L184-I214 HydrophobicContact CD2-CG2 4.42Å; I185-I214 WeakPolarHBondContact O-CA 3.39Å; V186-I214 HydrophobicContact CG1-CG1 4.17Å; V186-I214 HydrophobicContact CG2-CG1 4.13Å; V186-I214 HydrophobicContact CG2-CG2 4.48Å; A211-I214 HydrophobicContact CB-CD1 4.17Å; A211-I214 HydrophobicContact CB-CG1 4.16Å
215E93.5Very high93.8Very high115 Ų11552.4 Ų52.454%0.53730%0.298SS..EExtended strand (participates in β ladder)trans-112142.8174.4-62.9176.1-174.200110.1L184 I185 P217L184-E215 WeakPolarHBondContact CA-O 3.31Å; I185-E215 HydrophobicContact CB-CB 4.3Å; I185-E215 PolarHBondContact N-O 2.97Å; I185-E215 PolarHBondContact O-N 3.26Å; E215-P217 VanDerWaalsContact O-CD 3.3Å; E215-P217 WeakPolarHBondContact O-CD 3.26Å
216I93.5Very high93.7Very high40 Ų4054.5 Ų54.521%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-115.984.9177.7-46.4-178.1000108.5P176 F178 L184 S218P176-I216 HydrophobicContact CB-CD1 3.8Å; P176-I216 HydrophobicContact CG-CD1 3.81Å; P176-I216 HydrophobicContact CG-CG1 4.26Å; F178-I216 HydrophobicContact CB-CD1 4.08Å; L184-I216 HydrophobicContact CD2-CB 4.31Å; L184-I216 HydrophobicContact CD2-CD1 4.12Å; L184-I216 HydrophobicContact CD2-CG1 3.63Å; L184-I216 HydrophobicContact CD2-CG2 4.15Å; I216-S218 PolarHBondContact O-N 3.39Å
217P91.2Very high93.6Very high82 Ų8249.2 Ų49.253%0.53228%0.284SS..EExtended strand (participates in β ladder)trans-65.5-25.6179.125.7-37.1000113.2V183 I185 E215V183-P217 HydrophobicContact CB-CG 4.18Å; V183-P217 HydrophobicContact CG1-CG 3.84Å; V183-P217 WeakPolarHBondContact O-CD 3.4Å; I185-P217 HydrophobicContact CD1-CG 3.9Å; I185-P217 HydrophobicContact CG1-CG 4.04Å; E215-P217 VanDerWaalsContact O-CD 3.3Å; E215-P217 WeakPolarHBondContact O-CD 3.26Å
218S90.7Very high93.4Very high63 Ų6356.8 Ų56.844%0.44132%0.317SS..EExtended strand (participates in β ladder)trans-149.3125-178.6-175.30000111.8S182 V183 I216S182-S218 WeakPolarHBondContact CB-O 3.48Å; V183-S218 PolarHBondContact N-O 3.22Å; I216-S218 PolarHBondContact O-N 3.39Å
219H92.8Very high93.2Very high111 Ų11159.4 Ų59.451%0.51433%0.331SS..PPolyproline II helixtrans-84.4141169.6-68.9-88.6000110.9
220S92.2Very high93.1Very high17 Ų1759.4 Ų59.412%0.11933%0.332CS..PPolyproline II helixtrans-82.1140.6174.7-175.70000111.4N179 S180 E181 S182N179-S220 WeakPolarHBondContact CB-O 3.34Å; N179-S220 PolarHBondContact ND2-O 3.38Å; S180-S220 WeakPolarHBondContact O-CB 3.42Å; S180-S220 PolarHBondContact O-OG 3.43Å; E181-S220 VanDerWaalsContact C-CB 3.49Å; S182-S220 PolarHBondContact OG-N 3.42Å; S182-S220 VanDerWaalsContact OG-N 3.08Å
221S90.9Very high92.9Very high81 Ų8161.9 Ų61.957%0.56636%0.355SS*.PPolyproline II helixtrans-72.3162.716560.10000110.6L223S221-L223 PolarHBondContact O-N 3.01Å
222P89.5Confident92.8Very high129 Ų12968.7 Ų68.784%0.83839%0.391SS*.PPolyproline II helixtrans-51.1129.6168.6-25.735000110.9
223L90.9Very high92.8Very high46 Ų4664.7 Ų64.724%0.24137%0.374CS..PPolyproline II helixtrans-102.2146-179-62.6179.2000110.2E181 S221 F225 L226 I244E181-L223 HydrophobicContact CB-CD1 3.65Å; E181-L223 HydrophobicContact CG-CD1 3.65Å; S221-L223 PolarHBondContact O-N 3.01Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.7Å; L223-L226 HydrophobicContact CD1-CD2 4.39Å; L223-I244 HydrophobicContact CD1-CD1 3.99Å; L223-I244 HydrophobicContact CD2-CD1 3.77Å; L223-I244 HydrophobicContact CD2-CG1 4.15Å
224S91.3Very high92.9Very high68 Ų6867.8 Ų67.848%0.47639%0.388SS..SBendtrans-61.3-38.7175.3-141.50000111.8E237 Y241S224-E237 VanDerWaalsContact CB-OE1 3.27Å; S224-E237 WeakPolarHBondContact CB-OE1 3.33Å; S224-E237 PolarHBondContact OG-OE1 3.48Å; S224-Y241 WeakPolarHBondContact OG-CE2 3.45Å
225F94.4Very high92.9Very high14 Ų1472 Ų726%0.06141%0.407CS..SBendtrans-150.4160.1173.460.4-90.9000110.2L223 A230 V233 E237 R238 Y241 I244 D245L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.7Å; F225-A230 HydrophobicContact CD2-CB 3.96Å; F225-A230 HydrophobicContact CE2-CB 3.71Å; F225-V233 HydrophobicContact CB-CG2 3.58Å; F225-V233 HydrophobicContact CD1-CB 4.44Å; F225-V233 HydrophobicContact CD1-CG1 3.81Å; F225-V233 HydrophobicContact CD1-CG2 4.12Å; F225-V233 HydrophobicContact CD2-CG2 4.21Å; F225-V233 HydrophobicContact CE1-CG1 4.14Å; F225-V233 HydrophobicContact CG-CB 4.44Å; F225-V233 HydrophobicContact CG-CG1 4.28Å; F225-V233 HydrophobicContact CG-CG2 3.73Å; F225-E237 HydrophobicContact CD1-CG 4.16Å; F225-E237 HydrophobicContact CE1-CG 4.18Å; F225-R238 HydrophobicContact CZ-CG 4.35Å; F225-Y241 HydrophobicContact CE1-CD2 4.22Å; F225-Y241 HydrophobicContact CE1-CG 4.48Å; F225-I244 HydrophobicContact CD2-CG2 4.03Å; F225-I244 HydrophobicContact CE2-CB 4.15Å; F225-I244 HydrophobicContact CE2-CG2 3.7Å; F225-I244 HydrophobicContact CZ-CB 4.23Å; F225-I244 HydrophobicContact CZ-CG2 4.25Å; F225-I244 WeakPolarHBondContact O-CG2 3.45Å; F225-D245 HydrophobicContact CE2-CB 4.28Å; F225-D245 HydrophobicContact CZ-CB 4.16Å
226L93.8Very high92.9Very high45 Ų4573 Ų7324%0.23641%0.413CS..  trans-89.5150.8173.2-62.4172000110.4E181 L223 K228 D229 A230E181-L226 HydrophobicContact CG-CD2 4.22Å; L223-L226 HydrophobicContact CD1-CD2 4.39Å; L226-K228 HydrophobicContact CB-CG 4.02Å; L226-K228 PolarHBondContact O-N 3.39Å; L226-D229 WeakPolarHBondContact CB-OD2 3.34Å; L226-D229 PolarHBondContact O-N 2.86Å; L226-A230 PolarHBondContact O-N 2.87Å
227P93.5Very high92.9Very high2 Ų274.3 Ų74.31%0.01342%0.418CS..THydrogen-bonded Turntrans-55.3-28.6-179.8-3037.2000115.3E181 D229 I244 R247 S248E181-P227 HydrophobicContact CG-CG 4.26Å; P227-D229 VanDerWaalsContact C-N 3.33Å; P227-I244 HydrophobicContact CG-CG2 3.83Å; P227-R247 HydrophobicContact CB-CB 3.88Å; P227-R247 HydrophobicContact CG-CB 3.77Å; P227-S248 WeakPolarHBondContact O-CB 3.45Å
228K92.2Very high93.1Very high161 Ų16173 Ų7370%0.740%0.403SS*.THydrogen-bonded Turntrans-71.3-27176.561.8173.5-170.9179.50113.2L226L226-K228 HydrophobicContact CB-CG 4.02Å; L226-K228 PolarHBondContact O-N 3.39Å
229D94.1Very high93.2Very high61 Ų6174.2 Ų74.233%0.32640%0.404SS..THydrogen-bonded Turntrans-97.3-4.4-175-56.3-44.2000111.5L226 P227 A231 N232L226-D229 WeakPolarHBondContact CB-OD2 3.34Å; L226-D229 PolarHBondContact O-N 2.86Å; P227-D229 VanDerWaalsContact C-N 3.33Å; D229-A231 PolarHBondContact O-N 3.35Å; D229-N232 PolarHBondContact O-N 3.06Å
230A93.7Very high93.2Very high1 Ų175.9 Ų75.91%0.00841%0.41CS..G310 helixtrans-55-29.4-17500000113.9F225 L226 N232 V233 R238 D245F225-A230 HydrophobicContact CD2-CB 3.96Å; F225-A230 HydrophobicContact CE2-CB 3.71Å; L226-A230 PolarHBondContact O-N 2.87Å; A230-N232 PolarHBondContact O-N 3.42Å; A230-V233 PolarHBondContact O-N 3Å; A230-R238 WeakPolarHBondContact O-CD 3.26Å; A230-R238 PolarHBondContact O-NE 3.38Å; A230-D245 WeakPolarHBondContact CB-OD1 3.28Å
231A92.7Very high93.2Very high83 Ų8378 Ų7869%0.68642%0.415SS*.G310 helixtrans-65.6-24176.800000113.7D229D229-A231 PolarHBondContact O-N 3.35Å
232N95.1Very high93.3Very high144 Ų14478.2 Ų78.277%0.7740%0.404SS*.G310 helixtrans-97.62.5-177.3-58.5-31.5000112.8D229 A230D229-N232 PolarHBondContact O-N 3.06Å; A230-N232 PolarHBondContact O-N 3.42Å
233V95Very high93.4Very high26 Ų2678.5 Ų78.516%0.15839%0.389CS..SBendtrans-99.4144.3-175.8178.60000109.6F225 A230 E235 E237 R238F225-V233 HydrophobicContact CB-CG2 3.58Å; F225-V233 HydrophobicContact CD1-CB 4.44Å; F225-V233 HydrophobicContact CD1-CG1 3.81Å; F225-V233 HydrophobicContact CD1-CG2 4.12Å; F225-V233 HydrophobicContact CD2-CG2 4.21Å; F225-V233 HydrophobicContact CE1-CG1 4.14Å; F225-V233 HydrophobicContact CG-CB 4.44Å; F225-V233 HydrophobicContact CG-CG1 4.28Å; F225-V233 HydrophobicContact CG-CG2 3.73Å; A230-V233 PolarHBondContact O-N 3Å; V233-E235 PolarHBondContact O-N 3.01Å; V233-E237 HydrophobicContact CG1-CB 3.74Å; V233-E237 HydrophobicContact CG1-CG 3.77Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.4Å; V233-R238 HydrophobicContact CB-CG 3.94Å; V233-R238 HydrophobicContact CG1-CG 3.96Å; V233-R238 WeakPolarHBondContact O-CD 3.37Å
234N95.5Very high93.5Very high109 Ų10976.6 Ų76.658%0.58338%0.379SS*.  trans-55.6137.5175.1179.6-7.9000110.8M236 E237 R238N234-M236 VanDerWaalsContact C-N 3.26Å; N234-M236 PolarHBondContact O-N 2.95Å; N234-M236 PolarHBondContact OD1-N 3.37Å; N234-M236 VanDerWaalsContact OD1-N 3.13Å; N234-E237 PolarHBondContact O-N 3.36Å; N234-R238 WeakPolarHBondContact O-CG 3.29Å; N234-R238 PolarHBondContact O-N 3.34Å
235E94.1Very high93.7Very high115 Ų11573.3 Ų73.354%0.53736%0.356SS..Hα-helixtrans-49.4-43.2176.9-176174.4-173.300113.3V233 E237 R238 L239V233-E235 PolarHBondContact O-N 3.01Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.04Å; E235-R238 CarbonylContact O-C 3.56Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.41Å; E235-R238 VanDerWaalsContact O-N 3.13Å; E235-L239 HydrophobicContact CG-CD1 3.94Å; E235-L239 HydrophobicContact CG-CG 4.18Å; E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 WeakPolarHBondContact O-CG 3.28Å; E235-L239 PolarHBondContact O-N 2.93Å
236M94.6Very high93.6Very high136 Ų13675.1 Ų75.167%0.6737%0.366SS*.Hα-helixtrans-59.7-38.9179.5-73.8-61.6-66.800112.6N234 K240N234-M236 VanDerWaalsContact C-N 3.26Å; N234-M236 PolarHBondContact O-N 2.95Å; N234-M236 PolarHBondContact OD1-N 3.37Å; N234-M236 VanDerWaalsContact OD1-N 3.13Å; M236-K240 WeakPolarHBondContact O-CB 3.5Å; M236-K240 PolarHBondContact O-N 3.22Å
237E93.4Very high93.5Very high67 Ų6775.9 Ų75.931%0.31337%0.366SS..Hα-helixtrans-74.4-37.7177.2-175.9176.6-175.300111.3S224 F225 V233 N234 E235 L239 K240 Y241S224-E237 VanDerWaalsContact CB-OE1 3.27Å; S224-E237 WeakPolarHBondContact CB-OE1 3.33Å; S224-E237 PolarHBondContact OG-OE1 3.48Å; F225-E237 HydrophobicContact CD1-CG 4.16Å; F225-E237 HydrophobicContact CE1-CG 4.18Å; V233-E237 HydrophobicContact CG1-CB 3.74Å; V233-E237 HydrophobicContact CG1-CG 3.77Å; V233-E237 WeakPolarHBondContact CG1-OE2 3.4Å; N234-E237 PolarHBondContact O-N 3.36Å; E235-E237 VanDerWaalsContact C-N 3.27Å; E235-E237 PolarHBondContact O-N 3.04Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.92Å; E237-K240 PolarHBondContact O-N 3.24Å; E237-Y241 HydrophobicContact CG-CD2 4.05Å; E237-Y241 HydrophobicContact CG-CE2 4.33Å; E237-Y241 PolarHBondContact O-N 3.18Å
238R94Very high93.5Very high55 Ų5576 Ų7621%0.20837%0.367CS..Hα-helixtrans-62.6-36.7172.3-65.4174.467.4-155.7-7.1112.4F225 A230 V233 N234 E235 Y241 R242 D245F225-R238 HydrophobicContact CZ-CG 4.35Å; A230-R238 WeakPolarHBondContact O-CD 3.26Å; A230-R238 PolarHBondContact O-NE 3.38Å; V233-R238 HydrophobicContact CB-CG 3.94Å; V233-R238 HydrophobicContact CG1-CG 3.96Å; V233-R238 WeakPolarHBondContact O-CD 3.37Å; N234-R238 WeakPolarHBondContact O-CG 3.29Å; N234-R238 PolarHBondContact O-N 3.34Å; E235-R238 CarbonylContact O-C 3.56Å; E235-R238 WeakPolarHBondContact O-CB 3.31Å; E235-R238 PolarHBondContact O-N 3.41Å; E235-R238 VanDerWaalsContact O-N 3.13Å; R238-Y241 CarbonylContact O-C 3.55Å; R238-Y241 VanDerWaalsContact O-C 3.26Å; R238-R242 WeakPolarHBondContact O-CA 3.18Å; R238-R242 PolarHBondContact O-N 2.83Å; R238-D245 HydrophobicContact CB-CB 4.36Å; R238-D245 IonicContact CZ-OD1 3.05Å; R238-D245 IonicContact CZ-OD2 3.67Å; R238-D245 IonicContact NE-OD1 2.63Å; R238-D245 PolarHBondContact NE-OD1 3.26Å; R238-D245 IonicContact NE-OD2 3.68Å; R238-D245 VanDerWaalsContact NH2-CG 3.34Å; R238-D245 IonicContact NH2-OD1 3.73Å; R238-D245 PolarHBondContact NH2-OD1 2.63Å; R238-D245 IonicContact NH2-OD2 3.63Å; R238-D245 PolarHBondContact NH2-OD2 3.13Å
239L92.6Very high93.4Very high87 Ų8772.5 Ų72.546%0.45536%0.363SS..Hα-helixtrans-72.7-41.3175.9-71.1174.4000111.2E235 E237 Y241 R242E235-L239 HydrophobicContact CG-CD1 3.94Å; E235-L239 HydrophobicContact CG-CG 4.18Å; E235-L239 WeakPolarHBondContact O-CB 3.35Å; E235-L239 WeakPolarHBondContact O-CG 3.28Å; E235-L239 PolarHBondContact O-N 2.93Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.92Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.29Å; L239-R242 WeakPolarHBondContact O-CB 3.36Å; L239-R242 PolarHBondContact O-N 3.44Å
240K92.9Very high93.3Very high147 Ų14772 Ų7264%0.63936%0.364SS*.Hα-helixtrans-58.2-43.7173.8-177.7177.1177.9-179.20111.7M236 E237M236-K240 WeakPolarHBondContact O-CB 3.5Å; M236-K240 PolarHBondContact O-N 3.22Å; E237-K240 PolarHBondContact O-N 3.24Å
241Y93.1Very high93.3Very high61 Ų6173 Ų7324%0.23937%0.369CS..THydrogen-bonded Turntrans-108.945.3177.9-56.5-67.6000111.9S224 F225 E237 R238 L239 Y243 I244 D245S224-Y241 WeakPolarHBondContact OG-CE2 3.45Å; F225-Y241 HydrophobicContact CE1-CD2 4.22Å; F225-Y241 HydrophobicContact CE1-CG 4.48Å; E237-Y241 HydrophobicContact CG-CD2 4.05Å; E237-Y241 HydrophobicContact CG-CE2 4.33Å; E237-Y241 PolarHBondContact O-N 3.18Å; R238-Y241 CarbonylContact O-C 3.55Å; R238-Y241 VanDerWaalsContact O-C 3.26Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.29Å; Y241-Y243 AromaticContact CD1-CE1 3.96Å; Y241-Y243 HydrophobicContact CD1-CE1 3.96Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 VanDerWaalsContact CD1-OH 3.32Å; Y241-Y243 WeakPolarHBondContact CD1-OH 3.24Å; Y241-Y243 PolarHBondContact O-N 3.41Å; Y241-Y243 VanDerWaalsContact O-N 3.13Å; Y241-I244 WeakPolarHBondContact O-CB 3.28Å; Y241-I244 PolarHBondContact O-N 3Å; Y241-D245 PolarHBondContact O-N 3.18Å
242R92.8Very high93.2Very high86 Ų8671.3 Ų71.333%0.32535%0.346SS..Hα-helixtrans-56.2-35.3-175.3-169.658.8172.8-178.48.1112.7R238 L239 I244 D245 L246R238-R242 WeakPolarHBondContact O-CA 3.18Å; R238-R242 PolarHBondContact O-N 2.83Å; L239-R242 WeakPolarHBondContact O-CB 3.36Å; L239-R242 PolarHBondContact O-N 3.44Å; R242-I244 PolarHBondContact O-N 2.97Å; R242-D245 IonicContact CZ-OD2 3.87Å; R242-D245 VanDerWaalsContact CZ-OD2 3.3Å; R242-D245 IonicContact NE-OD2 3.55Å; R242-D245 IonicContact NH1-OD2 2.96Å; R242-D245 PolarHBondContact NH1-OD2 3.35Å; R242-D245 PolarHBondContact O-N 3.28Å; R242-D245 VanDerWaalsContact O-N 3.16Å; R242-L246 HydrophobicContact CG-CD1 4.35Å; R242-L246 HydrophobicContact CG-CD2 4.45Å; R242-L246 HydrophobicContact CG-CG 4.08Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.02Å
243Y92.3Very high93.1Very high135 Ų13572.2 Ų72.253%0.52934%0.339SS..Hα-helixtrans-61.4-25177.161.1-90.4000113.9Y241Y241-Y243 AromaticContact CD1-CE1 3.96Å; Y241-Y243 HydrophobicContact CD1-CE1 3.96Å; Y241-Y243 AromaticContact CD1-CZ 3.88Å; Y241-Y243 VanDerWaalsContact CD1-OH 3.32Å; Y241-Y243 WeakPolarHBondContact CD1-OH 3.24Å; Y241-Y243 PolarHBondContact O-N 3.41Å; Y241-Y243 VanDerWaalsContact O-N 3.13Å
244I93Very high93Very high5 Ų575.2 Ų75.23%0.02635%0.354CS..Hα-helixtrans-83.9-44.8171.1-59.7-55.9000110.7L223 F225 P227 Y241 R242 L246 R247L223-I244 HydrophobicContact CD1-CD1 3.99Å; L223-I244 HydrophobicContact CD2-CD1 3.77Å; L223-I244 HydrophobicContact CD2-CG1 4.15Å; F225-I244 HydrophobicContact CD2-CG2 4.03Å; F225-I244 HydrophobicContact CE2-CB 4.15Å; F225-I244 HydrophobicContact CE2-CG2 3.7Å; F225-I244 HydrophobicContact CZ-CB 4.23Å; F225-I244 HydrophobicContact CZ-CG2 4.25Å; F225-I244 WeakPolarHBondContact O-CG2 3.45Å; P227-I244 HydrophobicContact CG-CG2 3.83Å; Y241-I244 WeakPolarHBondContact O-CB 3.28Å; Y241-I244 PolarHBondContact O-N 3Å; R242-I244 PolarHBondContact O-N 2.97Å; I244-L246 VanDerWaalsContact C-N 3.26Å; I244-L246 PolarHBondContact O-N 3.22Å; I244-R247 VanDerWaalsContact O-CB 3.31Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.17Å
245D93.9Very high92.8Very high0 Ų071.4 Ų71.40%033%0.334CS..Hα-helixtrans-59-38177.8179.657.2000112.2F225 A230 R238 Y241 R242 R247 S248 M251F225-D245 HydrophobicContact CE2-CB 4.28Å; F225-D245 HydrophobicContact CZ-CB 4.16Å; A230-D245 WeakPolarHBondContact CB-OD1 3.28Å; R238-D245 HydrophobicContact CB-CB 4.36Å; R238-D245 IonicContact CZ-OD1 3.05Å; R238-D245 IonicContact CZ-OD2 3.67Å; R238-D245 IonicContact NE-OD1 2.63Å; R238-D245 PolarHBondContact NE-OD1 3.26Å; R238-D245 IonicContact NE-OD2 3.68Å; R238-D245 VanDerWaalsContact NH2-CG 3.34Å; R238-D245 IonicContact NH2-OD1 3.73Å; R238-D245 PolarHBondContact NH2-OD1 2.63Å; R238-D245 IonicContact NH2-OD2 3.63Å; R238-D245 PolarHBondContact NH2-OD2 3.13Å; Y241-D245 PolarHBondContact O-N 3.18Å; R242-D245 IonicContact CZ-OD2 3.87Å; R242-D245 VanDerWaalsContact CZ-OD2 3.3Å; R242-D245 IonicContact NE-OD2 3.55Å; R242-D245 IonicContact NH1-OD2 2.96Å; R242-D245 PolarHBondContact NH1-OD2 3.35Å; R242-D245 PolarHBondContact O-N 3.28Å; R242-D245 VanDerWaalsContact O-N 3.16Å; D245-R247 PolarHBondContact O-N 3.43Å; D245-R247 VanDerWaalsContact O-N 3.15Å; D245-S248 VanDerWaalsContact O-CB 3.24Å; D245-S248 WeakPolarHBondContact O-CB 3.48Å; D245-S248 PolarHBondContact O-N 3.38Å; D245-S248 PolarHBondContact O-OG 3.02Å; D245-M251 WeakPolarHBondContact O-CG 3.43Å
246L92.8Very high92.7Very high52 Ų5269.2 Ų69.227%0.27232%0.321SS..THydrogen-bonded Turntrans-62.8-18.6175.5-70.3-172.6000113.2R242 I244 S248 M251 Q252 I255R242-L246 HydrophobicContact CG-CD1 4.35Å; R242-L246 HydrophobicContact CG-CD2 4.45Å; R242-L246 HydrophobicContact CG-CG 4.08Å; R242-L246 WeakPolarHBondContact O-CB 3.37Å; R242-L246 VanDerWaalsContact O-CG 3.24Å; R242-L246 WeakPolarHBondContact O-CG 3.21Å; R242-L246 PolarHBondContact O-N 3.02Å; I244-L246 VanDerWaalsContact C-N 3.26Å; I244-L246 PolarHBondContact O-N 3.22Å; L246-S248 VanDerWaalsContact C-N 3.31Å; L246-M251 HydrophobicContact CD2-CB 4.27Å; L246-M251 HydrophobicContact CD2-CE 3.75Å; L246-M251 HydrophobicContact CD2-CG 4.48Å; L246-Q252 WeakPolarHBondContact O-CG 3.48Å; L246-Q252 PolarHBondContact O-NE2 2.88Å; L246-I255 HydrophobicContact CD1-CD1 4.41Å; L246-I255 HydrophobicContact CD2-CD1 3.61Å; L246-I255 HydrophobicContact CG-CD1 4.4Å
247R93Very high92.6Very high61 Ų6169 Ų6923%0.2332%0.316CS..THydrogen-bonded Turntrans-80.7-8.9172.9-59.2-178.9-175.2-179.10112.9R158 E181 P227 I244 D245R158-R247 PolarHBondContact NH1-O 3.35Å; E181-R247 VanDerWaalsContact OE2-CD 3.32Å; E181-R247 WeakPolarHBondContact OE2-CD 3.47Å; E181-R247 IonicContact OE2-CZ 3.81Å; E181-R247 IonicContact OE2-NH1 2.82Å; E181-R247 PolarHBondContact OE2-NH1 2.89Å; P227-R247 HydrophobicContact CB-CB 3.88Å; P227-R247 HydrophobicContact CG-CB 3.77Å; I244-R247 VanDerWaalsContact O-CB 3.31Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.17Å; D245-R247 PolarHBondContact O-N 3.43Å; D245-R247 VanDerWaalsContact O-N 3.15Å
248S92.5Very high92.6Very high5 Ų572.6 Ų72.64%0.03533%0.327CS..SBendtrans-63.7149.2176.466.80000110.7P227 D245 L246 S250 M251 Q252P227-S248 WeakPolarHBondContact O-CB 3.45Å; D245-S248 VanDerWaalsContact O-CB 3.24Å; D245-S248 WeakPolarHBondContact O-CB 3.48Å; D245-S248 PolarHBondContact O-N 3.38Å; D245-S248 PolarHBondContact O-OG 3.02Å; L246-S248 VanDerWaalsContact C-N 3.31Å; S248-S250 PolarHBondContact O-N 2.91Å; S248-S250 PolarHBondContact OG-OG 3.5Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact OG-CB 3.3Å; S248-M251 WeakPolarHBondContact OG-CB 3.36Å; S248-M251 VanDerWaalsContact OG-CG 3.28Å; S248-M251 WeakPolarHBondContact OG-CG 3.19Å; S248-M251 PolarHBondContact OG-N 2.9Å; S248-Q252 WeakPolarHBondContact O-CB 3.45Å; S248-Q252 VanDerWaalsContact O-CG 3.27Å; S248-Q252 WeakPolarHBondContact O-CG 3.43Å; S248-Q252 PolarHBondContact O-N 3.05Å
249S90.8Very high92.5Very high87 Ų8770.3 Ų70.361%0.60832%0.319SS*.Hα-helixtrans-62.7-33.4-179.155.80000112.5R253S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 3.32Å; S249-R253 VanDerWaalsContact O-N 3.07Å
250S92.5Very high92.5Very high49 Ų4968.5 Ų68.534%0.34331%0.314SS..Hα-helixtrans-65.8-49.917553.10000111.7S248 R253 N254S248-S250 PolarHBondContact O-N 2.91Å; S248-S250 PolarHBondContact OG-OG 3.5Å; S250-R253 WeakPolarHBondContact O-CB 3.4Å; S250-R253 PolarHBondContact O-N 3.31Å; S250-N254 PolarHBondContact O-N 3.47Å; S250-N254 PolarHBondContact O-OD1 2.89Å
251M92.6Very high92.6Very high23 Ų2364.5 Ų64.511%0.11330%0.299CS..Hα-helixtrans-66.5-40.7179.7-72.1-53.5-47.100112.7D245 L246 S248 R253 N254 I255D245-M251 WeakPolarHBondContact O-CG 3.43Å; L246-M251 HydrophobicContact CD2-CB 4.27Å; L246-M251 HydrophobicContact CD2-CE 3.75Å; L246-M251 HydrophobicContact CD2-CG 4.48Å; S248-M251 PolarHBondContact O-N 3.02Å; S248-M251 VanDerWaalsContact OG-CB 3.3Å; S248-M251 WeakPolarHBondContact OG-CB 3.36Å; S248-M251 VanDerWaalsContact OG-CG 3.28Å; S248-M251 WeakPolarHBondContact OG-CG 3.19Å; S248-M251 PolarHBondContact OG-N 2.9Å; M251-R253 VanDerWaalsContact C-N 3.33Å; M251-R253 PolarHBondContact O-N 3.17Å; M251-N254 PolarHBondContact O-N 3.19Å; M251-I255 WeakPolarHBondContact O-CG1 3.31Å; M251-I255 PolarHBondContact O-N 3.16Å
252Q91.9Very high92.6Very high47 Ų4763.1 Ų63.122%0.2230%0.295CS..Hα-helixtrans-58.8-44174.1-75.4-68.4-46.400111.7L246 S248 R256L246-Q252 WeakPolarHBondContact O-CG 3.48Å; L246-Q252 PolarHBondContact O-NE2 2.88Å; S248-Q252 WeakPolarHBondContact O-CB 3.45Å; S248-Q252 VanDerWaalsContact O-CG 3.27Å; S248-Q252 WeakPolarHBondContact O-CG 3.43Å; S248-Q252 PolarHBondContact O-N 3.05Å; Q252-R256 WeakPolarHBondContact O-CG 3.13Å; Q252-R256 PolarHBondContact O-N 3.41Å; Q252-R256 VanDerWaalsContact O-N 3.11Å
253R92Very high92.6Very high163 Ų16359.8 Ų59.862%0.61528%0.284SS*.Hα-helixtrans-60.1-46.7174.3-172.4-173.2-59.5127.30.9111.3S249 S250 M251 R256 F257S249-R253 WeakPolarHBondContact O-CB 3.4Å; S249-R253 PolarHBondContact O-N 3.32Å; S249-R253 VanDerWaalsContact O-N 3.07Å; S250-R253 WeakPolarHBondContact O-CB 3.4Å; S250-R253 PolarHBondContact O-N 3.31Å; M251-R253 VanDerWaalsContact C-N 3.33Å; M251-R253 PolarHBondContact O-N 3.17Å; R253-R256 PolarHBondContact O-N 3.19Å; R253-F257 VanDerWaalsContact O-CB 3.26Å; R253-F257 WeakPolarHBondContact O-CB 3.5Å; R253-F257 PolarHBondContact O-N 3.23Å
254N93Very high92.7Very high90 Ų9059 Ų5948%0.48129%0.285SS..Hα-helixtrans-63.7-44.8-177.9-67.3-6.9000112.2S250 M251 F257 R258S250-N254 PolarHBondContact O-N 3.47Å; S250-N254 PolarHBondContact O-OD1 2.89Å; M251-N254 PolarHBondContact O-N 3.19Å; N254-F257 PolarHBondContact O-N 2.87Å; N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.47Å
255I91.6Very high92.8Very high29 Ų2964 Ų6415%0.14931%0.31CS..Hα-helixtrans-64.2-45.3179.3-71.7169.5000111T75 I77 L246 M251 R258 S259T75-I255 HydrophobicContact CG2-CG2 4.06Å; I77-I255 HydrophobicContact CD1-CG2 3.8Å; I77-I255 HydrophobicContact CG1-CG2 3.62Å; I77-I255 HydrophobicContact CG2-CG2 4.34Å; L246-I255 HydrophobicContact CD1-CD1 4.41Å; L246-I255 HydrophobicContact CD2-CD1 3.61Å; L246-I255 HydrophobicContact CG-CD1 4.4Å; M251-I255 WeakPolarHBondContact O-CG1 3.31Å; M251-I255 PolarHBondContact O-N 3.16Å; I255-R258 PolarHBondContact O-N 3.46Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-N 3.15Å
256R91.1Very high92.8Very high69 Ų6965.4 Ų65.426%0.2632%0.315SS..Hα-helixtrans-64.1-42.5177.4-73.4-171.1-1779320.6112.4T75 D160 Q252 R253 S259 S260T75-R256 HydrophobicContact CG2-CG 3.91Å; D160-R256 PolarHBondContact O-NH1 3.5Å; D160-R256 PolarHBondContact O-NH2 3Å; D160-R256 IonicContact OD2-NH2 3.33Å; D160-R256 PolarHBondContact OD2-NH2 3.31Å; D160-R256 VanDerWaalsContact OD2-NH2 3.11Å; Q252-R256 WeakPolarHBondContact O-CG 3.13Å; Q252-R256 PolarHBondContact O-N 3.41Å; Q252-R256 VanDerWaalsContact O-N 3.11Å; R253-R256 PolarHBondContact O-N 3.19Å; R256-S259 WeakPolarHBondContact O-CB 3.26Å; R256-S259 PolarHBondContact O-N 3.06Å; R256-S260 PolarHBondContact O-N 2.87Å; R256-S260 PolarHBondContact O-OG 3.43Å
257F92.7Very high92.8Very high131 Ų13163.8 Ų63.858%0.57531%0.307SS*.Hα-helixtrans-60.9-46.6176.9-177-116.4000111.1R253 N254 S259 S260 I261R253-F257 VanDerWaalsContact O-CB 3.26Å; R253-F257 WeakPolarHBondContact O-CB 3.5Å; R253-F257 PolarHBondContact O-N 3.23Å; N254-F257 PolarHBondContact O-N 2.87Å; F257-S259 PolarHBondContact O-N 2.91Å; F257-S260 WeakPolarHBondContact CA-OG 3.43Å; F257-S260 PolarHBondContact O-N 2.92Å; F257-S260 PolarHBondContact O-OG 2.87Å; F257-I261 HydrophobicContact CD1-CD1 3.75Å; F257-I261 HydrophobicContact CD2-CD1 4.35Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.39Å; F257-I261 HydrophobicContact CE2-CD1 3.93Å; F257-I261 HydrophobicContact CE2-CG1 4.27Å; F257-I261 HydrophobicContact CG-CD1 4.28Å; F257-I261 HydrophobicContact CZ-CD1 3.39Å; F257-I261 HydrophobicContact CZ-CG1 4.19Å; F257-I261 WeakPolarHBondContact O-CG1 3.31Å; F257-I261 PolarHBondContact O-N 2.86Å
258R93.6Very high93Very high142 Ų14266.6 Ų66.654%0.53632%0.321SS..Hα-helixtrans-55.6-50.2173.1178-179.4171.288.82.6111.4E78 N254 I255 S260 I261 I262E78-R258 IonicContact OE2-CZ 3.33Å; E78-R258 IonicContact OE2-NH2 2.85Å; E78-R258 PolarHBondContact OE2-NH2 3.48Å; N254-R258 WeakPolarHBondContact O-CB 3.47Å; N254-R258 PolarHBondContact O-N 3.47Å; I255-R258 PolarHBondContact O-N 3.46Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 3.22Å; R258-I261 PolarHBondContact O-N 3.47Å; R258-I262 HydrophobicContact CG-CD1 3.68Å; R258-I262 HydrophobicContact CG-CG1 4.39Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.35Å
259S92.3Very high93.1Very high8 Ų869.6 Ų69.66%0.05634%0.336CS..Hα-helixtrans-56.9-45.1178.2-1720000111.8E76 I255 R256 F257 I261 I262 L263E76-S259 PolarHBondContact N-OG 3.32Å; E76-S259 WeakPolarHBondContact O-CB 3.26Å; E76-S259 PolarHBondContact O-OG 2.96Å; E76-S259 VanDerWaalsContact O-OG 3.13Å; I255-S259 WeakPolarHBondContact O-CB 3.45Å; I255-S259 PolarHBondContact O-N 3.15Å; R256-S259 WeakPolarHBondContact O-CB 3.26Å; R256-S259 PolarHBondContact O-N 3.06Å; F257-S259 PolarHBondContact O-N 2.91Å; S259-I261 PolarHBondContact O-N 3.3Å; S259-I262 PolarHBondContact O-N 3.36Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.23Å
260S92.2Very high93.3Very high48 Ų4866.6 Ų66.634%0.33631%0.314SS..Hα-helixtrans-63.8-41.3178.566.70000113.3R256 F257 R258 Q264R256-S260 PolarHBondContact O-N 2.87Å; R256-S260 PolarHBondContact O-OG 3.43Å; F257-S260 WeakPolarHBondContact CA-OG 3.43Å; F257-S260 PolarHBondContact O-N 2.92Å; F257-S260 PolarHBondContact O-OG 2.87Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 3.22Å; S260-Q264 VanDerWaalsContact O-CG 3.31Å; S260-Q264 WeakPolarHBondContact O-CG 3.44Å; S260-Q264 PolarHBondContact O-N 3.33Å
261I94.9Very high93.2Very high64 Ų6469.6 Ų69.633%0.32832%0.323SS..Hα-helixtrans-64-49.3177.9-73.9171000109.9F257 R258 S259 L263 Q264 M265F257-I261 HydrophobicContact CD1-CD1 3.75Å; F257-I261 HydrophobicContact CD2-CD1 4.35Å; F257-I261 HydrophobicContact CE1-CD1 3.27Å; F257-I261 HydrophobicContact CE1-CG1 4.39Å; F257-I261 HydrophobicContact CE2-CD1 3.93Å; F257-I261 HydrophobicContact CE2-CG1 4.27Å; F257-I261 HydrophobicContact CG-CD1 4.28Å; F257-I261 HydrophobicContact CZ-CD1 3.39Å; F257-I261 HydrophobicContact CZ-CG1 4.19Å; F257-I261 WeakPolarHBondContact O-CG1 3.31Å; F257-I261 PolarHBondContact O-N 2.86Å; R258-I261 PolarHBondContact O-N 3.47Å; S259-I261 PolarHBondContact O-N 3.3Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.01Å; I261-Q264 PolarHBondContact O-N 2.92Å; I261-Q264 VanDerWaalsContact O-N 3.17Å; I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 3.31Å
262I93.5Very high93.1Very high32 Ų3273.9 Ų73.916%0.16435%0.347CS..Hα-helixtrans-60.7-43.5-177.5-66.3170.9000110.2R258 S259 Q264 M265 R266R258-I262 HydrophobicContact CG-CD1 3.68Å; R258-I262 HydrophobicContact CG-CG1 4.39Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.35Å; S259-I262 PolarHBondContact O-N 3.36Å; I262-Q264 PolarHBondContact O-N 3.09Å; I262-M265 PolarHBondContact O-N 3.26Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.25Å; I262-R266 PolarHBondContact O-N 2.86Å
263L93Very high93.3Very high15 Ų1575.5 Ų75.58%0.07936%0.357CS..Hα-helixtrans-62.6-41.9177.4-175.563.3000112.2R65 C69 Q70 S259 I261 R266 N267R65-L263 HydrophobicContact CB-CD1 4.23Å; C69-L263 HydrophobicContact CB-CD2 3.69Å; Q70-L263 HydrophobicContact CG-CD2 3.8Å; S259-L263 WeakPolarHBondContact O-CB 3.4Å; S259-L263 PolarHBondContact O-N 3.23Å; I261-L263 VanDerWaalsContact C-N 3.3Å; I261-L263 PolarHBondContact O-N 3.01Å; L263-R266 PolarHBondContact O-N 2.87Å; L263-N267 PolarHBondContact O-N 3.27Å; L263-N267 PolarHBondContact O-ND2 3.39Å
264Q93.5Very high93.3Very high119 Ų11970.7 Ų70.756%0.55636%0.358SS*.Hα-helixtrans-62.5-44.4175.3-74.4178.816.900111.8S260 I261 I262 R266 N267 F268S260-Q264 VanDerWaalsContact O-CG 3.31Å; S260-Q264 WeakPolarHBondContact O-CG 3.44Å; S260-Q264 PolarHBondContact O-N 3.33Å; I261-Q264 PolarHBondContact O-N 2.92Å; I261-Q264 VanDerWaalsContact O-N 3.17Å; I262-Q264 PolarHBondContact O-N 3.09Å; Q264-R266 PolarHBondContact O-N 2.77Å; Q264-N267 PolarHBondContact O-N 2.74Å; Q264-F268 WeakPolarHBondContact O-CB 3.42Å; Q264-F268 PolarHBondContact O-N 3.15Å
265M95.5Very high93.4Very high111 Ų11172.3 Ų72.355%0.54736%0.361SS..Hα-helixtrans-60.2-44.8175.6-69.9176.469.500111.6I261 I262 F268 L269I261-M265 HydrophobicContact CG2-CG 4.27Å; I261-M265 HydrophobicContact CG2-SD 3.84Å; I261-M265 WeakPolarHBondContact O-CG 3.48Å; I261-M265 PolarHBondContact O-N 3.31Å; I262-M265 PolarHBondContact O-N 3.26Å; M265-F268 PolarHBondContact O-N 2.94Å; M265-L269 WeakPolarHBondContact O-CB 3.17Å; M265-L269 WeakPolarHBondContact O-CG 3.48Å; M265-L269 PolarHBondContact O-N 3.32Å
266R94.2Very high93.4Very high28 Ų2873.3 Ų73.311%0.10637%0.368CS..Hα-helixtrans-61.5-45.8177.4-75.5-179.4177.4129.66.7111.8L62 R65 E76 E78 I262 L263 Q264 L269 C270 E277L62-R266 HydrophobicContact CD1-CB 4.23Å; R65-R266 VanDerWaalsContact CZ-CZ 3.43Å; E76-R266 IonicContact OE1-CZ 2.92Å; E76-R266 IonicContact OE1-NH1 3.51Å; E76-R266 PolarHBondContact OE1-NH1 3.02Å; E76-R266 IonicContact OE1-NH2 2.83Å; E76-R266 IonicContact OE2-NH1 3.56Å; E76-R266 PolarHBondContact OE2-NH1 3.3Å; E78-R266 IonicContact OE1-NH2 2.65Å; I262-R266 HydrophobicContact CG2-CG 4.46Å; I262-R266 WeakPolarHBondContact O-CG 3.25Å; I262-R266 PolarHBondContact O-N 2.86Å; L263-R266 PolarHBondContact O-N 2.87Å; Q264-R266 PolarHBondContact O-N 2.77Å; R266-L269 PolarHBondContact O-N 3.01Å; R266-C270 VanDerWaalsContact O-CB 3.24Å; R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 3.42Å; R266-C270 PolarHBondContact O-SG 3.33Å; R266-E277 IonicContact CZ-OE1 3.73Å; R266-E277 IonicContact NE-OE1 3.25Å; R266-E277 PolarHBondContact NE-OE1 3.07Å; R266-E277 IonicContact NE-OE2 3.65Å; R266-E277 IonicContact NH2-OE1 3.45Å
267N93.1Very high93.5Very high19 Ų1972.7 Ų72.710%0.10237%0.369CS..Hα-helixtrans-61.8-46.4176.8-76.4-30.5000111.1N66 Q70 L263 Q264 L269 Q271 N272N66-N267 PolarHBondContact ND2-OD1 2.77Å; N66-N267 PolarHBondContact OD1-ND2 3.48Å; N66-N267 PolarHBondContact OD1-OD1 3.01Å; Q70-N267 PolarHBondContact NE2-ND2 3.24Å; Q70-N267 VanDerWaalsContact NE2-ND2 3.18Å; L263-N267 PolarHBondContact O-N 3.27Å; L263-N267 PolarHBondContact O-ND2 3.39Å; Q264-N267 PolarHBondContact O-N 2.74Å; N267-L269 PolarHBondContact O-N 3.32Å; N267-Q271 WeakPolarHBondContact O-CA 3.4Å; N267-Q271 WeakPolarHBondContact O-CB 3.5Å; N267-Q271 PolarHBondContact O-N 3.31Å; N267-N272 PolarHBondContact O-OD1 3.23Å
268F95.7Very high93.4Very high120 Ų12070.8 Ų70.853%0.52636%0.363SS..Iπ-helixtrans-59.6-48.8177.2178.2-101.3000112.6Q264 M265 N272 N273Q264-F268 WeakPolarHBondContact O-CB 3.42Å; Q264-F268 PolarHBondContact O-N 3.15Å; M265-F268 PolarHBondContact O-N 2.94Å; F268-N272 HydrophobicContact CD2-CB 4.43Å; F268-N272 VanDerWaalsContact O-CB 3.31Å; F268-N272 WeakPolarHBondContact O-CB 3.47Å; F268-N272 PolarHBondContact O-N 3.08Å; F268-N273 WeakPolarHBondContact CD1-ND2 3.31Å; F268-N273 WeakPolarHBondContact CE1-ND2 3.22Å; F268-N273 VanDerWaalsContact CZ-ND2 3.25Å; F268-N273 WeakPolarHBondContact CZ-ND2 3.43Å; F268-N273 PolarHBondContact O-N 3.18Å; F268-N273 PolarHBondContact O-ND2 3.3Å
269L96.4Very high93Very high68 Ų6869.6 Ų69.636%0.35636%0.364SS..Iπ-helixtrans-69.6-47.7-178.1-68.9172.8000111.8M265 R266 N267 N273 G274 F275M265-L269 WeakPolarHBondContact O-CB 3.17Å; M265-L269 WeakPolarHBondContact O-CG 3.48Å; M265-L269 PolarHBondContact O-N 3.32Å; R266-L269 PolarHBondContact O-N 3.01Å; N267-L269 PolarHBondContact O-N 3.32Å; L269-N273 CarbonylContact O-C 3.46Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 PolarHBondContact O-N 2.88Å; L269-G274 PolarHBondContact O-N 3.06Å; L269-F275 HydrophobicContact CB-CB 4.15Å; L269-F275 HydrophobicContact CB-CD2 4.35Å; L269-F275 HydrophobicContact CB-CG 4.36Å; L269-F275 HydrophobicContact CD2-CD2 4.12Å; L269-F275 HydrophobicContact CD2-CE2 4.21Å; L269-F275 HydrophobicContact CD2-CG 4.49Å; L269-F275 WeakPolarHBondContact O-CB 3.45Å; L269-F275 WeakPolarHBondContact O-CD2 3.49Å; L269-F275 PolarHBondContact O-N 3.03Å
270C93.9Very high92.5Very high23 Ų2374.3 Ų74.316%0.15539%0.392CS..Iπ-helixtrans-81.4-43.9-171.8-57.50000112.8L62 R266 F275L62-C270 HydrophobicContact CD2-CB 3.7Å; R266-C270 VanDerWaalsContact O-CB 3.24Å; R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 3.42Å; R266-C270 PolarHBondContact O-SG 3.33Å; C270-F275 WeakPolarHBondContact CA-O 3.43Å
271Q89.9Confident91.8Very high112 Ų11277.1 Ų77.152%0.52341%0.41SS..Iπ-helixtrans-85.2-42.6-175.3-56-177.6-29.700111.8L62 N66 N267L62-Q271 HydrophobicContact CD2-CG 3.73Å; N66-Q271 PolarHBondContact ND2-NE2 2.86Å; N267-Q271 WeakPolarHBondContact O-CA 3.4Å; N267-Q271 WeakPolarHBondContact O-CB 3.5Å; N267-Q271 PolarHBondContact O-N 3.31Å
272N92.2Very high90.9Very high114 Ų11481.5 Ų81.561%0.6142%0.423SS*.Iπ-helixtrans-89.9-28.7-173.2-57.743.5000112.9N267 F268N267-N272 PolarHBondContact O-OD1 3.23Å; F268-N272 HydrophobicContact CD2-CB 4.43Å; F268-N272 VanDerWaalsContact O-CB 3.31Å; F268-N272 WeakPolarHBondContact O-CB 3.47Å; F268-N272 PolarHBondContact O-N 3.08Å
273N94.8Very high90Very high80 Ų8087.9 Ų87.943%0.42846%0.457SS..SBendtrans-118.64.3-172.7-63-70.2000114.3F268 L269 F275F268-N273 WeakPolarHBondContact CD1-ND2 3.31Å; F268-N273 WeakPolarHBondContact CE1-ND2 3.22Å; F268-N273 VanDerWaalsContact CZ-ND2 3.25Å; F268-N273 WeakPolarHBondContact CZ-ND2 3.43Å; F268-N273 PolarHBondContact O-N 3.18Å; F268-N273 PolarHBondContact O-ND2 3.3Å; L269-N273 CarbonylContact O-C 3.46Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 PolarHBondContact O-N 2.88Å; N273-F275 HydrophobicContact CB-CD2 3.61Å; N273-F275 HydrophobicContact CB-CE2 3.72Å; N273-F275 PolarHBondContact O-N 2.88Å
274G91.6Very high89.1Confident63 Ų6394.6 Ų94.665%0.64949%0.486SS*.  trans68.617.1174.800000115.3L269L269-G274 PolarHBondContact O-N 3.06Å
275F94.8Very high88.2Confident124 Ų12498.1 Ų98.154%0.54450%0.499SS..  trans-68.2151.1173.3-74.2-101.9000110.8L269 C270 N273L269-F275 HydrophobicContact CB-CB 4.15Å; L269-F275 HydrophobicContact CB-CD2 4.35Å; L269-F275 HydrophobicContact CB-CG 4.36Å; L269-F275 HydrophobicContact CD2-CD2 4.12Å; L269-F275 HydrophobicContact CD2-CE2 4.21Å; L269-F275 HydrophobicContact CD2-CG 4.49Å; L269-F275 WeakPolarHBondContact O-CB 3.45Å; L269-F275 WeakPolarHBondContact O-CD2 3.49Å; L269-F275 PolarHBondContact O-N 3.03Å; C270-F275 WeakPolarHBondContact CA-O 3.43Å; N273-F275 HydrophobicContact CB-CD2 3.61Å; N273-F275 HydrophobicContact CB-CE2 3.72Å; N273-F275 PolarHBondContact O-N 2.88Å
276T93.4Very high87.3Confident49 Ų4997.7 Ų97.730%0.30150%0.498SS..  trans-112.5122.7173.4-56.80000108.6I54 R55 I278I54-T276 HydrophobicContact CG2-CG2 3.73Å; R55-T276 HydrophobicContact CG-CG2 4.03Å; T276-I278 HydrophobicContact CG2-CG1 4.4Å; T276-I278 PolarHBondContact O-N 3.17Å
277E92.3Very high86.4Confident57 Ų57100.4 Ų100.427%0.26652%0.518SS..  trans-75.1124.8176.2-169.1175.9-173.200109.7S58 R65 R266S58-E277 PolarHBondContact OG-N 3.11Å; R65-E277 IonicContact CZ-OE1 3.61Å; R65-E277 IonicContact CZ-OE2 3.61Å; R65-E277 VanDerWaalsContact NH1-CD 3.3Å; R65-E277 IonicContact NH1-OE1 3.73Å; R65-E277 PolarHBondContact NH1-OE1 2.95Å; R65-E277 IonicContact NH1-OE2 2.94Å; R65-E277 PolarHBondContact NH1-OE2 3.37Å; R65-E277 IonicContact NH2-OE1 2.63Å; R65-E277 PolarHBondContact NH2-OE1 3.46Å; R266-E277 IonicContact CZ-OE1 3.73Å; R266-E277 IonicContact NE-OE1 3.25Å; R266-E277 PolarHBondContact NE-OE1 3.07Å; R266-E277 IonicContact NE-OE2 3.65Å; R266-E277 IonicContact NH2-OE1 3.45Å
278I90.2Very high85.5Confident90 Ų90104.8 Ų104.846%0.46255%0.547SS..  trans-125.2119.1-177.6-48.1-173.8000108.5I54 T276I54-I278 HydrophobicContact CG2-CB 4.39Å; I54-I278 HydrophobicContact CG2-CD1 3.74Å; I54-I278 HydrophobicContact CG2-CG1 3.54Å; I54-I278 HydrophobicContact CG2-CG2 4.3Å; T276-I278 HydrophobicContact CG2-CG1 4.4Å; T276-I278 PolarHBondContact O-N 3.17Å
279E85.3Confident84.3Confident118 Ų118102.5 Ų102.555%0.55156%0.558SS**PPolyproline II helixtrans-75.4127.3170.3-68.5170.3169.100109.5R57R57-E279 IonicContact CZ-OE2 3.55Å; R57-E279 IonicContact NE-OE2 3.96Å; R57-E279 IonicContact NH2-OE1 3.77Å; R57-E279 IonicContact NH2-OE2 3.73Å; R57-E279 PolarHBondContact NH2-OE2 3.25Å
280T82.1Confident82.4Confident106 Ų106107.7 Ų107.765%0.6558%0.58SS**PPolyproline II helixtrans-95.7153.6178.5540000110.7
281P78Confident80.2Confident108 Ų108115.3 Ų115.370%0.70161%0.605SS**PPolyproline II helixtrans-63.2138.4175.626.7-34.3000111
282Y74.7Confident78.2Confident155 Ų155115.3 Ų115.361%0.60862%0.617SS**SBendtrans-77.2-27.7177.2-72.1-80.6000113.5Y81 F284Y81-Y282 HydrophobicContact CE2-CE1 4.13Å; Y81-Y282 PolarHBondContact OH-OH 2.84Å; Y282-F284 WeakPolarHBondContact O-CD1 3.3Å
283L76.4Confident76Confident167 Ų167119.5 Ų119.587%0.87465%0.65SS**  trans-94114.8177.8-63.2175.8000109.4
284F73.6Confident75Confident156 Ų156121.5 Ų121.568%0.68466%0.661SS**  trans-125.7157.2-179.457.6-87.4000111.5Y282Y282-F284 WeakPolarHBondContact O-CD1 3.3Å
285K73.7Confident74.1Confident192 Ų192124.6 Ų124.684%0.83566%0.662SS**PPolyproline II helixtrans-70.3130.5171.4-174.9177.8-180-179.90108.8T287K285-T287 PolarHBondContact O-N 3.04Å
286I76.3Confident73Confident102 Ų102124.6 Ų124.652%0.52367%0.669SS.*PPolyproline II helixtrans-58.7127.3177.6-59.9170.7000109.2
287T75.3Confident71.8Confident86 Ų86129.1 Ų129.153%0.52869%0.69SS.*PPolyproline II helixtrans-96.1141.6170.848.60000109.3K285 G289K285-T287 PolarHBondContact O-N 3.04Å; T287-G289 PolarHBondContact O-N 3.31Å; T287-G289 VanDerWaalsContact O-N 3.08Å
288P74Confident70.5Confident111 Ų111133.6 Ų133.672%0.72172%0.717SS**THydrogen-bonded Turntrans-69.2-4.9-173.325.1-32.6000114.8E290P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 3.42Å
289G71.1Confident69.2Low72 Ų72136.5 Ų136.574%0.74273%0.734SS**THydrogen-bonded Turntrans-73.8-15.4-17200000116.2T287T287-G289 PolarHBondContact O-N 3.31Å; T287-G289 VanDerWaalsContact O-N 3.08Å
290E57.5Low68.1Low177 Ų177137.8 Ų137.883%0.82775%0.747SS**SBendtrans-124.81.4-174.8-67.1-177.9168.600113.5P288P288-E290 VanDerWaalsContact C-N 3.34Å; P288-E290 PolarHBondContact O-N 3.42Å
291R48Very low67Low182 Ų182140.2 Ų140.269%0.68775%0.754SS**  trans-138.674.9176.6-65.1-174.3-162.4-179.24.5109.9
292C46.6Very low66.1Low113 Ų113142.9 Ų142.976%0.76476%0.759SS**  trans-86.3142.2150-780000107.5
293P45.5Very low65.3Low202 Ų202141.8 Ų141.8100%1.31277%0.772SS**  trans-58.50-179.226.8-35.2000113.3

Retrieved 293 of 293 residues in 120 ms (Link to these results)