A0A096MXN3_PAPAN Loading...

Tyrosine-protein phosphatase non-receptor type

AlphaFold DB (A0A2K5MXE6), UniProt , Accession A0A096MXN3, Species PAPAN (Papio anubis, Olive baboon), Gene PTPN14, Length 1,187 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
1M26.1Very low34Very low234 Ų234176.6 Ų176.6100%1.15386%0.855SS**  0143.90-84.6-80.2-10200108.3
2P43.6Very low33.8Very low93 Ų93182.6 Ų182.660%0.60486%0.862SS**  -128.1-152.2-97.641.7-30.2000114.6
3F35.2Very low33.5Very low185 Ų185183.1 Ų183.181%0.81185%0.852SS**  trans96.548.3174.6-52.1-63.4000119.1L5F3-L5 PolarHBondContact O-N 3.45Å
4G32.2Very low33.4Very low76 Ų76179.5 Ų179.578%0.78484%0.842SS**  trans-71.598.215300000111.5K6G4-K6 PolarHBondContact O-N 3.37Å
5L35.8Very low33.7Very low167 Ų167176.3 Ų176.387%0.87484%0.839SS**  trans-69.996174.5-85167.7000111F3 L7F3-L5 PolarHBondContact O-N 3.45Å; L5-L7 PolarHBondContact O-N 3.3Å
6K32.2Very low34.6Very low206 Ų206173.9 Ų173.990%0.89683%0.832SS**  trans-67.991.8172.2-70.8-175.9178.2178.90110.5G4 R8G4-K6 PolarHBondContact O-N 3.37Å; K6-R8 PolarHBondContact O-N 3.41Å; K6-R8 VanDerWaalsContact O-N 3.11Å
7L35.5Very low35.4Very low173 Ų173170 Ų17091%0.90683%0.827SS**PPolyproline II helixtrans-53.7116.5164.6-91.3164.9000109.1L5 R9L5-L7 PolarHBondContact O-N 3.3Å; L7-R9 PolarHBondContact O-N 3.44Å
8R31.9Very low36.5Very low215 Ų215170.6 Ų170.681%0.81183%0.825SS**PPolyproline II helixtrans-56.8123.3175.5-96.8-179.1166-177-2.8108.8K6 T10K6-R8 PolarHBondContact O-N 3.41Å; K6-R8 VanDerWaalsContact O-N 3.11Å; R8-T10 PolarHBondContact O-N 3.36Å; R8-T10 VanDerWaalsContact O-N 3.08Å
9R34.4Very low38.4Very low241 Ų241167.8 Ų167.891%0.90982%0.815SS**PPolyproline II helixtrans-51.1118.8157.8-80.3-177.6171.8172.6-3.4107.7L7 R11L7-R9 PolarHBondContact O-N 3.44Å; R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.29Å
10T32.4Very low40.6Very low137 Ų137162.8 Ų162.884%0.8480%0.797SS**  trans-66.589.9173.823.50000109R8 R12R8-T10 PolarHBondContact O-N 3.36Å; R8-T10 VanDerWaalsContact O-N 3.08Å; T10-R12 PolarHBondContact O-N 3.11Å; T10-R12 VanDerWaalsContact O-N 3.15Å
11R34.6Very low42.8Very low216 Ų216156.3 Ų156.382%0.81576%0.764SS**  trans-52122.4161-77.5-175.2171.8-175.7-4.9106.9R9 Y13R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.29Å; R11-Y13 WeakPolarHBondContact O-CD2 3.44Å; R11-Y13 PolarHBondContact O-N 3.41Å
12R31.8Very low45.7Very low248 Ų248148.4 Ų148.494%0.93673%0.729SS**  trans-56110.2166.7-70.4179.6176.5173.8-2.4106.6T10 N14T10-R12 PolarHBondContact O-N 3.11Å; T10-R12 VanDerWaalsContact O-N 3.15Å; R12-N14 PolarHBondContact O-N 3.42Å
13Y30.1Very low48Very low189 Ų189144 Ų14474%0.74170%0.701SS**  trans-72.999.3176.7-85.8-91000107.8R11 V15R11-Y13 WeakPolarHBondContact O-CD2 3.44Å; R11-Y13 PolarHBondContact O-N 3.41Å; Y13-V15 PolarHBondContact O-N 3.13Å
14N32.1Very low50.8Low133 Ų133140.1 Ų140.171%0.71168%0.681SS**  trans-73.4104.5168.3-148-8.1000106.8R12R12-N14 PolarHBondContact O-N 3.42Å
15V37.1Very low53.9Low132 Ų132136.5 Ų136.580%0.864%0.643SS**  trans-90.2-10.3-174.7-1770000112Y13Y13-V15 PolarHBondContact O-N 3.13Å
16L49.2Very low56.8Low138 Ų138132.4 Ų132.472%0.72362%0.616SS**  trans-66.1162.8159.9-63.3171.6000110.4
17S48.6Very low59.9Low107 Ų107123.2 Ų123.275%0.74858%0.577SS**SBendtrans9616169.983.20000121.6
18K53.9Low62.7Low180 Ų180115.7 Ų115.778%0.78354%0.537SS*.SBendtrans-125.4-42.1167.7-69.1-160.2175-166.60117.4
19N73.5Confident65.4Low119 Ų119107.9 Ų107.964%0.63651%0.512SS*.SBendtrans-1062.1-172.4-70.329.3000114.7S38 V39N19-S38 CarbonylContact O-C 3.57Å; N19-S38 WeakPolarHBondContact O-CA 3.41Å; N19-V39 PolarHBondContact O-N 3.43Å
20C81.9Confident67.9Low67 Ų6798.2 Ų98.245%0.45348%0.481SS..EExtended strand (participates in β ladder)trans-128.6160.7174.4-57.30000111T36 L37C20-T36 HydrophobicContact CB-CG2 4.47Å; C20-L37 CarbonylContact C-O 3.53Å; C20-L37 WeakPolarHBondContact CA-O 3.08Å; C20-L37 VanDerWaalsContact CB-O 3.3Å; C20-L37 WeakPolarHBondContact CB-O 2.91Å
21F86.8Confident70.6Confident26 Ų2695.7 Ų95.711%0.11446%0.462CS..EExtended strand (participates in β ladder)trans-140.6157.8169.675.6-68.9000109.8T23 L37 S38 L82 K83 L86F21-T23 HydrophobicContact CE2-CG2 4.24Å; F21-L37 HydrophobicContact CD1-CB 4.11Å; F21-L37 HydrophobicContact CE1-CB 3.57Å; F21-L37 HydrophobicContact CE1-CD1 4.36Å; F21-L37 HydrophobicContact CZ-CB 4.06Å; F21-L37 HydrophobicContact CZ-CD1 4.02Å; F21-L37 PolarHBondContact N-O 3.44Å; F21-L37 PolarHBondContact O-N 3.29Å; F21-S38 WeakPolarHBondContact CE1-O 3.22Å; F21-L82 HydrophobicContact CZ-CB 4.2Å; F21-L82 HydrophobicContact CZ-CD2 4.09Å; F21-L82 HydrophobicContact CZ-CG 4.01Å; F21-K83 HydrophobicContact CB-CD 4.14Å; F21-K83 HydrophobicContact CD1-CB 3.9Å; F21-K83 HydrophobicContact CD1-CD 4.12Å; F21-K83 HydrophobicContact CD1-CG 4.16Å; F21-K83 HydrophobicContact CD2-CB 4.47Å; F21-K83 HydrophobicContact CD2-CG 4.26Å; F21-K83 HydrophobicContact CE1-CB 3.69Å; F21-K83 HydrophobicContact CE1-CG 4.38Å; F21-K83 HydrophobicContact CE2-CB 4.28Å; F21-K83 HydrophobicContact CE2-CG 4.47Å; F21-K83 HydrophobicContact CG-CB 4.3Å; F21-K83 HydrophobicContact CG-CD 4.07Å; F21-K83 HydrophobicContact CG-CG 4.1Å; F21-K83 HydrophobicContact CZ-CB 3.89Å; F21-L86 HydrophobicContact CE2-CD1 4.25Å
22V87.8Confident73.4Confident69 Ų6988.7 Ų88.742%0.41844%0.444SS..EExtended strand (participates in β ladder)trans-105.4138170.7-173.30000107.7E34 C35V22-E34 HydrophobicContact CG1-CB 4.01Å; V22-C35 WeakPolarHBondContact CA-O 3.48Å
23T91.6Very high76.2Confident1 Ų178.5 Ų78.51%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-127.5142.4168.8-170.80000109.2F21 I25 C35 L37 P93 L95F21-T23 HydrophobicContact CE2-CG2 4.24Å; T23-I25 HydrophobicContact CG2-CD1 4.26Å; T23-C35 HydrophobicContact CG2-CB 4.25Å; T23-C35 PolarHBondContact N-O 2.97Å; T23-C35 PolarHBondContact O-N 3.41Å; T23-L37 HydrophobicContact CG2-CD1 4.04Å; T23-P93 PolarHBondContact OG1-O 3.01Å; T23-L95 HydrophobicContact CG2-CD1 3.85Å
24R94.4Very high79.1Confident103 Ų10374.8 Ų74.839%0.38940%0.397SS..EExtended strand (participates in β ladder)trans-89.5135.6173.9-62.3-178.1-61.7-178.42.4108V32 E34 E92 P93 L94 L95R24-V32 HydrophobicContact CB-CG1 3.98Å; R24-V32 HydrophobicContact CG-CG1 4.47Å; R24-E34 HydrophobicContact CG-CG 4.34Å; R24-E34 WeakPolarHBondContact CG-OE1 2.78Å; R24-E92 IonicContact NH2-OE2 2.67Å; R24-E92 PolarHBondContact NH2-OE2 3.27Å; R24-P93 PolarHBondContact N-O 3.34Å; R24-L94 HydrophobicContact CB-CD1 3.87Å; R24-L95 PolarHBondContact O-N 3.3Å
25I96.7Very high81.8Confident0 Ų068.7 Ų68.70%037%0.365CS..EExtended strand (participates in β ladder)trans-117.2121.7170.1-50.894.1000107.9T23 V32 I33 C35 V50 L64 L95 F97T23-I25 HydrophobicContact CG2-CD1 4.26Å; I25-V32 WeakPolarHBondContact O-CA 3.48Å; I25-I33 HydrophobicContact CB-CG1 4.09Å; I25-I33 HydrophobicContact CD1-CG1 4.36Å; I25-I33 PolarHBondContact N-O 3.5Å; I25-I33 PolarHBondContact O-N 3.4Å; I25-C35 HydrophobicContact CD1-CB 3.65Å; I25-C35 WeakPolarHBondContact CD1-SG 3.45Å; I25-V50 HydrophobicContact CB-CG2 4.41Å; I25-V50 HydrophobicContact CD1-CG2 4.09Å; I25-V50 HydrophobicContact CG1-CG2 4.08Å; I25-V50 HydrophobicContact CG2-CG2 4.28Å; I25-L64 HydrophobicContact CG2-CD2 3.9Å; I25-L95 CarbonylContact C-O 3.55Å; I25-L95 WeakPolarHBondContact CA-O 3.37Å; I25-L95 HydrophobicContact CB-CB 4.35Å; I25-L95 HydrophobicContact CG1-CB 3.95Å; I25-L95 HydrophobicContact CG1-CD1 4.09Å; I25-L95 HydrophobicContact CG2-CB 4.23Å; I25-F97 HydrophobicContact CG2-CB 4.1Å
26R96.8Very high84.4Confident81 Ų8167 Ų6731%0.30635%0.354SS..EExtended strand (participates in β ladder)trans-82.1128.8165-176.5172.3-68.6149.34.1109.4N31 V32 L95 F96 F97R26-N31 CarbonylContact C-O 3.54Å; R26-N31 WeakPolarHBondContact CA-O 3.42Å; R26-V32 HydrophobicContact CB-CG2 4.25Å; R26-V32 HydrophobicContact CG-CG2 4.33Å; R26-L95 PolarHBondContact N-O 3.5Å; R26-F96 HydrophobicContact CB-CD1 3.89Å; R26-F96 HydrophobicContact CB-CE1 4.24Å; R26-F96 HydrophobicContact CG-CD1 4.44Å; R26-F96 WeakPolarHBondContact O-CA 3.13Å; R26-F97 PolarHBondContact O-N 3.21Å
27L96.4Very high86.3Confident13 Ų1361.1 Ų61.17%0.06832%0.324CS..  trans-88.1174.2178.2-63180000111D29 S30 N31 I33 V50 L54 F97L27-D29 WeakPolarHBondContact CB-OD1 3Å; L27-S30 WeakPolarHBondContact O-CA 3.37Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-S30 VanDerWaalsContact O-N 3.17Å; L27-N31 WeakPolarHBondContact CB-O 3.43Å; L27-N31 HydrophobicContact CD1-CB 4.26Å; L27-N31 PolarHBondContact N-O 3.17Å; L27-I33 HydrophobicContact CD1-CD1 4.14Å; L27-I33 HydrophobicContact CD1-CG1 4.21Å; L27-I33 HydrophobicContact CD1-CG2 3.84Å; L27-I33 HydrophobicContact CD2-CD1 3.88Å; L27-I33 HydrophobicContact CD2-CG1 4.18Å; L27-I33 HydrophobicContact CG-CD1 4.26Å; L27-I33 HydrophobicContact CG-CG1 4.16Å; L27-V50 HydrophobicContact CD2-CG1 3.77Å; L27-L54 HydrophobicContact CD1-CD2 4.25Å; L27-L54 HydrophobicContact CD2-CD1 4.25Å; L27-F97 HydrophobicContact CD2-CB 4.04Å; L27-F97 HydrophobicContact CD2-CD1 4.43Å; L27-F97 HydrophobicContact CD2-CG 4.34Å
28L94.4Very high88.3Confident14 Ų1458 Ų587%0.07330%0.302CS..THydrogen-bonded Turntrans-77.6-23.1-175.5-70.3169.9000113.5S30 F97 Q117 L120 Q121L28-S30 PolarHBondContact O-N 3.2Å; L28-F97 HydrophobicContact CD1-CD1 3.97Å; L28-F97 HydrophobicContact CD1-CE1 4.08Å; L28-F97 WeakPolarHBondContact CD2-O 3.43Å; L28-F97 HydrophobicContact CG-CD1 4.04Å; L28-Q117 HydrophobicContact CD1-CB 4.43Å; L28-Q117 VanDerWaalsContact CD1-O 3.25Å; L28-Q117 WeakPolarHBondContact CD1-O 3.47Å; L28-L120 HydrophobicContact CB-CB 3.77Å; L28-L120 HydrophobicContact CB-CD1 4.22Å; L28-Q121 HydrophobicContact CD1-CB 4.02Å; L28-Q121 HydrophobicContact CD2-CB 4.23Å
29D88.9Confident90Very high52 Ų5251.3 Ų51.328%0.27828%0.276SS..THydrogen-bonded Turntrans-77.49.7166.363.1-5.9000112.7L27 N31 L120L27-D29 WeakPolarHBondContact CB-OD1 3Å; D29-N31 VanDerWaalsContact CG-ND2 3.31Å; D29-N31 PolarHBondContact O-N 2.93Å; D29-N31 WeakPolarHBondContact OD1-CB 3.48Å; D29-N31 PolarHBondContact OD1-N 3.24Å; D29-N31 PolarHBondContact OD2-ND2 2.68Å; D29-L120 HydrophobicContact CB-CD1 4.07Å
30S86.9Confident90.7Very high38 Ų3853.1 Ų53.127%0.26628%0.28SS..SBendtrans65.5-2.6-172.1-59.70000116.8L27 L28L27-S30 WeakPolarHBondContact O-CA 3.37Å; L27-S30 PolarHBondContact O-N 3.46Å; L27-S30 VanDerWaalsContact O-N 3.17Å; L28-S30 PolarHBondContact O-N 3.2Å
31N89.7Confident91.3Very high83 Ų8350.4 Ų50.444%0.44426%0.262SS..  trans-61.6151175.2-80.6-53.1000111.3R26 L27 D29R26-N31 CarbonylContact C-O 3.54Å; R26-N31 WeakPolarHBondContact CA-O 3.42Å; L27-N31 WeakPolarHBondContact CB-O 3.43Å; L27-N31 HydrophobicContact CD1-CB 4.26Å; L27-N31 PolarHBondContact N-O 3.17Å; D29-N31 VanDerWaalsContact CG-ND2 3.31Å; D29-N31 PolarHBondContact O-N 2.93Å; D29-N31 WeakPolarHBondContact OD1-CB 3.48Å; D29-N31 PolarHBondContact OD1-N 3.24Å; D29-N31 PolarHBondContact OD2-ND2 2.68Å
32V91.9Very high91.8Very high70 Ų7050.7 Ų50.742%0.42427%0.266SS..EExtended strand (participates in β ladder)trans-118116.8179-178.80000109.7R24 I25 R26R24-V32 HydrophobicContact CB-CG1 3.98Å; R24-V32 HydrophobicContact CG-CG1 4.47Å; I25-V32 WeakPolarHBondContact O-CA 3.48Å; R26-V32 HydrophobicContact CB-CG2 4.25Å; R26-V32 HydrophobicContact CG-CG2 4.33Å
33I91.4Very high92.1Very high33 Ų3347.4 Ų47.417%0.16925%0.247CC..EExtended strand (participates in β ladder)trans-107.4144.9176.559.2170.2000110.8I25 L27 V50I25-I33 HydrophobicContact CB-CG1 4.09Å; I25-I33 HydrophobicContact CD1-CG1 4.36Å; I25-I33 PolarHBondContact N-O 3.5Å; I25-I33 PolarHBondContact O-N 3.4Å; L27-I33 HydrophobicContact CD1-CD1 4.14Å; L27-I33 HydrophobicContact CD1-CG1 4.21Å; L27-I33 HydrophobicContact CD1-CG2 3.84Å; L27-I33 HydrophobicContact CD2-CD1 3.88Å; L27-I33 HydrophobicContact CD2-CG1 4.18Å; L27-I33 HydrophobicContact CG-CD1 4.26Å; L27-I33 HydrophobicContact CG-CG1 4.16Å; I33-V50 HydrophobicContact CD1-CB 4.46Å; I33-V50 HydrophobicContact CD1-CG1 4.27Å; I33-V50 HydrophobicContact CD1-CG2 4.03Å
34E91.6Very high92.3Very high112 Ų11250.4 Ų50.452%0.52326%0.26SS..EExtended strand (participates in β ladder)trans-99.3133.9175.1-57.7-150138.900111.2V22 R24 R53V22-E34 HydrophobicContact CG1-CB 4.01Å; R24-E34 HydrophobicContact CG-CG 4.34Å; R24-E34 WeakPolarHBondContact CG-OE1 2.78Å; E34-R53 PolarHBondContact O-NH1 3.35Å; E34-R53 PolarHBondContact O-NH2 3.42Å
35C88.8Confident92.3Very high5 Ų549.9 Ų49.93%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-114.7117.4171.7-78.50000109.9V22 T23 I25 L37 R53V22-C35 WeakPolarHBondContact CA-O 3.48Å; T23-C35 HydrophobicContact CG2-CB 4.25Å; T23-C35 PolarHBondContact N-O 2.97Å; T23-C35 PolarHBondContact O-N 3.41Å; I25-C35 HydrophobicContact CD1-CB 3.65Å; I25-C35 WeakPolarHBondContact CD1-SG 3.45Å; C35-L37 HydrophobicContact CB-CD1 4.31Å; C35-L37 HydrophobicContact CB-CD2 4.45Å; C35-L37 HydrophobicContact CB-CG 4.12Å; C35-R53 PolarHBondContact SG-NH1 3.49Å
36T90.1Very high92.3Very high95 Ų9549.9 Ų49.958%0.58326%0.262SS*.EExtended strand (participates in β ladder)trans-86.2113.8167.9-63.40000108.9C20C20-T36 HydrophobicContact CB-CG2 4.47Å
37L90.4Very high92.3Very high16 Ų1646.1 Ų46.18%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-122.9159.7-172.9-64.1173.7000111.2C20 F21 T23 C35 C46 L82C20-L37 CarbonylContact C-O 3.53Å; C20-L37 WeakPolarHBondContact CA-O 3.08Å; C20-L37 VanDerWaalsContact CB-O 3.3Å; C20-L37 WeakPolarHBondContact CB-O 2.91Å; F21-L37 HydrophobicContact CD1-CB 4.11Å; F21-L37 HydrophobicContact CE1-CB 3.57Å; F21-L37 HydrophobicContact CE1-CD1 4.36Å; F21-L37 HydrophobicContact CZ-CB 4.06Å; F21-L37 HydrophobicContact CZ-CD1 4.02Å; F21-L37 PolarHBondContact N-O 3.44Å; F21-L37 PolarHBondContact O-N 3.29Å; T23-L37 HydrophobicContact CG2-CD1 4.04Å; C35-L37 HydrophobicContact CB-CD1 4.31Å; C35-L37 HydrophobicContact CB-CD2 4.45Å; C35-L37 HydrophobicContact CB-CG 4.12Å; L37-C46 HydrophobicContact CD1-CB 3.71Å; L37-L82 HydrophobicContact CD1-CD2 3.69Å
38S90.4Very high92.2Very high42 Ų4250.1 Ų50.129%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-77.8158.3172.383.90000111.1N19 F21 E40 S41N19-S38 CarbonylContact O-C 3.57Å; N19-S38 WeakPolarHBondContact O-CA 3.41Å; F21-S38 WeakPolarHBondContact CE1-O 3.22Å; S38-E40 PolarHBondContact O-N 3.23Å; S38-E40 VanDerWaalsContact O-N 3.16Å; S38-E40 PolarHBondContact OG-N 3.46Å; S38-S41 WeakPolarHBondContact CB-OG 3.27Å; S38-S41 PolarHBondContact N-OG 3.05Å; S38-S41 WeakPolarHBondContact O-CB 3.37Å; S38-S41 PolarHBondContact O-N 3.38Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 WeakPolarHBondContact OG-CB 3.49Å; S38-S41 PolarHBondContact OG-N 3.17Å; S38-S41 PolarHBondContact OG-OG 3.37Å
39V88.6Confident92.1Very high38 Ų3851 Ų5123%0.2328%0.275CS..THydrogen-bonded Turntrans-62.4-19.3174.41690000112.7N19 K83N19-V39 PolarHBondContact O-N 3.43Å; V39-K83 HydrophobicContact CG1-CD 4.38Å; V39-K83 HydrophobicContact CG2-CD 3.9Å
40E90Very high92.4Very high157 Ų15748.5 Ų48.573%0.73426%0.262SS*.THydrogen-bonded Turntrans-96.4-17.6179.4-63.6177.6168.800112.4S38S38-E40 PolarHBondContact O-N 3.23Å; S38-E40 VanDerWaalsContact O-N 3.16Å; S38-E40 PolarHBondContact OG-N 3.46Å
41S93.8Very high92.7Very high10 Ų1046.8 Ų46.87%0.0725%0.251CS..  trans-59.5138-175.7-76.10000112.6S38 E45 P81 L82S38-S41 WeakPolarHBondContact CB-OG 3.27Å; S38-S41 PolarHBondContact N-OG 3.05Å; S38-S41 WeakPolarHBondContact O-CB 3.37Å; S38-S41 PolarHBondContact O-N 3.38Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 WeakPolarHBondContact OG-CB 3.49Å; S38-S41 PolarHBondContact OG-N 3.17Å; S38-S41 PolarHBondContact OG-OG 3.37Å; S41-E45 WeakPolarHBondContact CA-OE2 3.33Å; S41-E45 WeakPolarHBondContact CB-OE2 3.26Å; S41-E45 PolarHBondContact OG-OE2 2.92Å; S41-P81 CarbonylContact O-C 3.55Å; S41-P81 WeakPolarHBondContact O-CA 3.32Å; S41-L82 PolarHBondContact O-N 3.41Å
42T96.4Very high92.8Very high33 Ų3347.3 Ų47.320%0.20225%0.251CS..BIsolated β-bridgetrans-84.9166.8-173.464.20000112.5Q44 E45 C46 L78 K80T42-Q44 PolarHBondContact O-N 3.21Å; T42-Q44 PolarHBondContact OG1-N 3.06Å; T42-E45 PolarHBondContact O-N 3.4Å; T42-E45 PolarHBondContact OG1-N 3.45Å; T42-E45 VanDerWaalsContact OG1-N 3.1Å; T42-C46 PolarHBondContact O-N 2.87Å; T42-L78 WeakPolarHBondContact CB-O 3.45Å; T42-K80 CarbonylContact C-O 3.57Å; T42-K80 VanDerWaalsContact CA-O 3.24Å; T42-K80 WeakPolarHBondContact CA-O 3.4Å
43G95Very high92.7Very high0 Ų048.9 Ų48.90%025%0.249CC..Hα-helixtrans-61.3-32.5168.500000112.3C46 L47 L78 K80G43-C46 WeakPolarHBondContact O-CB 3.19Å; G43-C46 PolarHBondContact O-N 3.39Å; G43-L47 PolarHBondContact O-N 3.24Å; G43-L78 PolarHBondContact N-O 2.99Å; G43-L78 VanDerWaalsContact N-O 3.13Å; G43-K80 PolarHBondContact N-O 3.09Å; G43-K80 VanDerWaalsContact N-O 3.08Å
44Q95.9Very high92.6Very high63 Ų6348.6 Ų48.629%0.29425%0.248SC..Hα-helixtrans-63.2-47.9174.4-176.362.326.300112.1T42 C46 L47 E48 L78T42-Q44 PolarHBondContact O-N 3.21Å; T42-Q44 PolarHBondContact OG1-N 3.06Å; Q44-C46 PolarHBondContact O-N 3.25Å; Q44-L47 PolarHBondContact O-N 3.46Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.34Å; Q44-E48 PolarHBondContact NE2-OE1 3.18Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.32Å; Q44-L78 HydrophobicContact CB-CB 4.28Å; Q44-L78 PolarHBondContact N-O 3.26Å
45E94.5Very high92.7Very high92 Ų9249.9 Ų49.943%0.4325%0.253SS..Hα-helixtrans-59.5-35.4175.4-74.3177.4-169.700111.9S41 T42 A49S41-E45 WeakPolarHBondContact CA-OE2 3.33Å; S41-E45 WeakPolarHBondContact CB-OE2 3.26Å; S41-E45 PolarHBondContact OG-OE2 2.92Å; T42-E45 PolarHBondContact O-N 3.4Å; T42-E45 PolarHBondContact OG1-N 3.45Å; T42-E45 VanDerWaalsContact OG1-N 3.1Å; E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 2.92Å; E45-A49 VanDerWaalsContact O-N 3.12Å
46C95.7Very high92.9Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-68.2-43.7173.9-171.60000112.1L37 T42 G43 Q44 E48 A49 V50 L64 L82L37-C46 HydrophobicContact CD1-CB 3.71Å; T42-C46 PolarHBondContact O-N 2.87Å; G43-C46 WeakPolarHBondContact O-CB 3.19Å; G43-C46 PolarHBondContact O-N 3.39Å; Q44-C46 PolarHBondContact O-N 3.25Å; C46-E48 VanDerWaalsContact C-N 3.34Å; C46-A49 PolarHBondContact O-N 3.37Å; C46-V50 WeakPolarHBondContact O-CG2 3.33Å; C46-V50 PolarHBondContact O-N 2.9Å; C46-L64 HydrophobicContact CB-CD1 3.79Å; C46-L64 VanDerWaalsContact SG-CD1 3.6Å; C46-L82 HydrophobicContact CB-CD2 3.59Å
47L96.8Very high93Very high3 Ų355.1 Ų55.12%0.01626%0.263CS..Hα-helixtrans-64.2-39.8178.3179.162.6000111.4G43 Q44 V50 A51 F62 L64 L78 F97G43-L47 PolarHBondContact O-N 3.24Å; Q44-L47 PolarHBondContact O-N 3.46Å; Q44-L47 VanDerWaalsContact O-N 3.11Å; L47-V50 PolarHBondContact O-N 2.84Å; L47-A51 WeakPolarHBondContact O-CB 3.33Å; L47-A51 PolarHBondContact O-N 3.38Å; L47-F62 HydrophobicContact CD1-CB 4.29Å; L47-L64 HydrophobicContact CB-CD1 4.1Å; L47-L64 HydrophobicContact CB-CG 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.22Å; L47-L78 HydrophobicContact CB-CD2 4.32Å; L47-L78 HydrophobicContact CD2-CD1 3.78Å; L47-L78 HydrophobicContact CD2-CD2 4.19Å; L47-F97 HydrophobicContact CD1-CD2 4.07Å; L47-F97 HydrophobicContact CD1-CE2 3.77Å
48E94.8Very high93.1Very high97 Ų9755.4 Ų55.445%0.45326%0.263SS..Hα-helixtrans-64.2-40.2174.9-73.3170.8-168.700112Q44 C46 V50 A51 Q52Q44-E48 WeakPolarHBondContact CG-OE1 3.34Å; Q44-E48 PolarHBondContact NE2-OE1 3.18Å; Q44-E48 WeakPolarHBondContact O-CG 3.49Å; Q44-E48 PolarHBondContact O-N 3.32Å; C46-E48 VanDerWaalsContact C-N 3.34Å; E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.45Å; E48-A51 PolarHBondContact O-N 3.34Å; E48-Q52 WeakPolarHBondContact O-CB 3.11Å; E48-Q52 PolarHBondContact O-N 3.28Å
49A92.8Very high93.3Very high31 Ų3155 Ų5526%0.25626%0.26SS..Hα-helixtrans-67.3-30.4174.600000113.5E45 C46E45-A49 WeakPolarHBondContact O-CB 3.41Å; E45-A49 PolarHBondContact O-N 2.92Å; E45-A49 VanDerWaalsContact O-N 3.12Å; C46-A49 PolarHBondContact O-N 3.37Å
50V94.6Very high93.5Very high0 Ų057.2 Ų57.20%027%0.267CS..Hα-helixtrans-72.5-49.2171.3173.80000110.3I25 L27 I33 C46 L47 E48 Q52 R53 L54 L64 F97I25-V50 HydrophobicContact CB-CG2 4.41Å; I25-V50 HydrophobicContact CD1-CG2 4.09Å; I25-V50 HydrophobicContact CG1-CG2 4.08Å; I25-V50 HydrophobicContact CG2-CG2 4.28Å; L27-V50 HydrophobicContact CD2-CG1 3.77Å; I33-V50 HydrophobicContact CD1-CB 4.46Å; I33-V50 HydrophobicContact CD1-CG1 4.27Å; I33-V50 HydrophobicContact CD1-CG2 4.03Å; C46-V50 WeakPolarHBondContact O-CG2 3.33Å; C46-V50 PolarHBondContact O-N 2.9Å; L47-V50 PolarHBondContact O-N 2.84Å; E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.45Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 2.73Å; V50-R53 WeakPolarHBondContact O-CB 3.17Å; V50-R53 PolarHBondContact O-N 2.95Å; V50-R53 VanDerWaalsContact O-N 3.07Å; V50-L54 HydrophobicContact CG1-CD1 4.03Å; V50-L54 PolarHBondContact O-N 3.06Å; V50-L64 HydrophobicContact CG2-CD2 4.39Å; V50-F97 HydrophobicContact CG1-CB 4.48Å; V50-F97 HydrophobicContact CG1-CD2 3.65Å; V50-F97 HydrophobicContact CG1-CE2 3.98Å; V50-F97 HydrophobicContact CG1-CG 4.05Å
51A93.9Very high93.8Very high3 Ų350.3 Ų50.33%0.02524%0.235CC..Hα-helixtrans-59.4-39.3179.500000113.1L47 E48 R53 L54 E55 L56 T59L47-A51 WeakPolarHBondContact O-CB 3.33Å; L47-A51 PolarHBondContact O-N 3.38Å; E48-A51 PolarHBondContact O-N 3.34Å; A51-R53 VanDerWaalsContact C-N 3.28Å; A51-R53 PolarHBondContact O-N 3.26Å; A51-L54 CarbonylContact O-C 3.49Å; A51-L54 PolarHBondContact O-N 3.26Å; A51-L54 VanDerWaalsContact O-N 3.1Å; A51-E55 PolarHBondContact O-N 2.86Å; A51-L56 HydrophobicContact CB-CB 4.08Å; A51-L56 PolarHBondContact O-N 2.74Å; A51-T59 HydrophobicContact CB-CG2 3.45Å; A51-T59 VanDerWaalsContact CB-CG2 3.45Å
52Q91.1Very high94Very high94 Ų9450 Ų5044%0.43923%0.232SC..Hα-helixtrans-61.2-35.5175.7-175.8-178.5-15.400112.4E48 V50 L54E48-Q52 WeakPolarHBondContact O-CB 3.11Å; E48-Q52 PolarHBondContact O-N 3.28Å; V50-Q52 VanDerWaalsContact C-N 3.32Å; V50-Q52 PolarHBondContact O-N 2.73Å; Q52-L54 VanDerWaalsContact C-N 3.33Å
53R89.6Confident94Very high102 Ų10248.4 Ų48.439%0.38522%0.222SC..Hα-helixtrans-74.7-21.4175.7-73.5170162.7164.5-9.7113.3E34 C35 V50 A51E34-R53 PolarHBondContact O-NH1 3.35Å; E34-R53 PolarHBondContact O-NH2 3.42Å; C35-R53 PolarHBondContact SG-NH1 3.49Å; V50-R53 WeakPolarHBondContact O-CB 3.17Å; V50-R53 PolarHBondContact O-N 2.95Å; V50-R53 VanDerWaalsContact O-N 3.07Å; A51-R53 VanDerWaalsContact C-N 3.28Å; A51-R53 PolarHBondContact O-N 3.26Å
54L90.1Very high94.1Very high28 Ų2848.4 Ų48.415%0.14722%0.222CC..THydrogen-bonded Turntrans-100.68.1177.4-64.8176.9000112.9L27 V50 A51 Q52 L56 F97L27-L54 HydrophobicContact CD1-CD2 4.25Å; L27-L54 HydrophobicContact CD2-CD1 4.25Å; V50-L54 HydrophobicContact CG1-CD1 4.03Å; V50-L54 PolarHBondContact O-N 3.06Å; A51-L54 CarbonylContact O-C 3.49Å; A51-L54 PolarHBondContact O-N 3.26Å; A51-L54 VanDerWaalsContact O-N 3.1Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; L54-L56 HydrophobicContact CB-CD1 3.86Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.88Å; L54-L56 PolarHBondContact O-N 2.99Å; L54-F97 HydrophobicContact CD1-CD1 4Å; L54-F97 HydrophobicContact CD1-CE1 3.54Å; L54-F97 HydrophobicContact CD1-CE2 4.47Å; L54-F97 HydrophobicContact CD1-CZ 3.81Å
55E92.8Very high94.2Very high138 Ų13847.3 Ų47.365%0.64522%0.215SC*.THydrogen-bonded Turntrans5219.4-172.9-54.6-158.3171.900115.9A51 R57 Q111A51-E55 PolarHBondContact O-N 2.86Å; E55-R57 PolarHBondContact O-N 2.68Å; E55-Q111 PolarHBondContact O-NE2 3.31Å
56L93.4Very high94.2Very high12 Ų1243 Ų436%0.06320%0.195CC..  trans-72.9125.3-174.4-68.7172.6000112.2A51 L54 T59 F62 F97 A113 Q117A51-L56 HydrophobicContact CB-CB 4.08Å; A51-L56 PolarHBondContact O-N 2.74Å; L54-L56 HydrophobicContact CB-CD1 3.86Å; L54-L56 HydrophobicContact CB-CG 3.78Å; L54-L56 HydrophobicContact CD1-CD1 3.88Å; L54-L56 PolarHBondContact O-N 2.99Å; L56-T59 HydrophobicContact CB-CG2 4.41Å; L56-T59 VanDerWaalsContact O-CG2 3.28Å; L56-T59 WeakPolarHBondContact O-CG2 3.41Å; L56-F62 HydrophobicContact CD1-CD2 4.08Å; L56-F62 HydrophobicContact CD1-CE2 3.88Å; L56-F62 HydrophobicContact CD1-CZ 4.22Å; L56-F62 HydrophobicContact CD2-CE2 4.12Å; L56-F62 HydrophobicContact CD2-CZ 4.32Å; L56-F97 HydrophobicContact CD1-CE1 4.26Å; L56-F97 HydrophobicContact CD1-CZ 3.6Å; L56-A113 HydrophobicContact CD2-CB 4Å; L56-Q117 HydrophobicContact CD1-CG 4.34Å; L56-Q117 HydrophobicContact CD2-CG 4.21Å
57R91.6Very high94.1Very high199 Ų19944.6 Ų44.675%0.75120%0.204SC*.SBendtrans-96.5-34.5172.8-54.7174.8-171.4-172.63.1111.7E55 T59 Q111E55-R57 PolarHBondContact O-N 2.68Å; R57-T59 PolarHBondContact O-N 3.42Å; R57-Q111 VanDerWaalsContact CG-OE1 3.29Å
58E93.8Very high93.9Very high21 Ų2144.6 Ų44.610%0.09820%0.204CC..  trans-86.348.7179.2-59.3169.3115.300111.6H60 Y61 Q110 Q111 T114E58-H60 PolarHBondContact O-N 3.03Å; E58-Y61 HydrophobicContact CB-CD2 3.9Å; E58-Y61 HydrophobicContact CB-CE2 3.98Å; E58-Y61 PolarHBondContact O-N 2.57Å; E58-Q110 WeakPolarHBondContact OE1-CB 3.4Å; E58-Q110 PolarHBondContact OE1-N 2.89Å; E58-Q110 PolarHBondContact OE2-N 3.17Å; E58-Q111 VanDerWaalsContact OE2-CB 3.28Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.39Å; E58-Q111 PolarHBondContact OE2-N 3.47Å; E58-T114 HydrophobicContact CB-CG2 4.11Å; E58-T114 WeakPolarHBondContact OE2-CB 3.38Å; E58-T114 PolarHBondContact OE2-OG1 3.42Å
59T93.9Very high93.6Very high35 Ų3545.8 Ų45.822%0.21521%0.207CC..G310 helixtrans-59-21.2-172.663.80000114.1A51 L56 R57 Y61 F62A51-T59 HydrophobicContact CB-CG2 3.45Å; A51-T59 VanDerWaalsContact CB-CG2 3.45Å; L56-T59 HydrophobicContact CB-CG2 4.41Å; L56-T59 VanDerWaalsContact O-CG2 3.28Å; L56-T59 WeakPolarHBondContact O-CG2 3.41Å; R57-T59 PolarHBondContact O-N 3.42Å; T59-Y61 VanDerWaalsContact C-N 3.27Å; T59-Y61 PolarHBondContact O-N 3.22Å; T59-F62 PolarHBondContact O-N 3.26Å; T59-F62 VanDerWaalsContact O-N 3.14Å
60H92.8Very high93.4Very high84 Ų8447.6 Ų47.639%0.38922%0.218SC..G310 helixtrans-70.6-13-174.856.4-96.3000114.9E58 F101 F301E58-H60 PolarHBondContact O-N 3.03Å; H60-F101 WeakPolarHBondContact O-CD2 3.47Å; H60-F301 HydrophobicContact CB-CE2 4.31Å; H60-F301 AromaticContact CD2-CE2 3.97Å; H60-F301 VanDerWaalsContact O-CE2 3.25Å; H60-F301 WeakPolarHBondContact O-CE2 3.39Å
61Y96.1Very high93Very high12 Ų1252.9 Ų52.95%0.04724%0.243CC..G310 helixtrans-80.7-19.2170.7-64.7-65.2000113.3E58 T59 M100 F101 V103 W108 L109 T114 F301E58-Y61 HydrophobicContact CB-CD2 3.9Å; E58-Y61 HydrophobicContact CB-CE2 3.98Å; E58-Y61 PolarHBondContact O-N 2.57Å; T59-Y61 VanDerWaalsContact C-N 3.27Å; T59-Y61 PolarHBondContact O-N 3.22Å; Y61-M100 PolarHBondContact O-N 3.26Å; Y61-F101 PolarHBondContact O-N 3.45Å; Y61-V103 HydrophobicContact CD1-CG1 3.99Å; Y61-V103 HydrophobicContact CE1-CG1 3.38Å; Y61-W108 PolarHBondContact OH-O 3.26Å; Y61-L109 HydrophobicContact CD1-CD2 4.47Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE1-CD2 4.31Å; Y61-L109 HydrophobicContact CE2-CD2 3.62Å; Y61-L109 HydrophobicContact CG-CD2 4.25Å; Y61-T114 HydrophobicContact CD2-CG2 4.13Å; Y61-F301 HydrophobicContact CD1-CE1 4.48Å; Y61-F301 AromaticContact CD1-CZ 3.81Å; Y61-F301 HydrophobicContact CD1-CZ 3.81Å; Y61-F301 HydrophobicContact CE1-CE1 4.44Å; Y61-F301 AromaticContact CE1-CZ 3.86Å; Y61-F301 HydrophobicContact CE1-CZ 3.86Å
62F97.7Very high92.8Very high2 Ų256.4 Ų56.41%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-102.4164.4-169.6-57.8-83.2000112.7L47 L56 T59 F97 G98 V99 T114 Q117L47-F62 HydrophobicContact CD1-CB 4.29Å; L56-F62 HydrophobicContact CD1-CD2 4.08Å; L56-F62 HydrophobicContact CD1-CE2 3.88Å; L56-F62 HydrophobicContact CD1-CZ 4.22Å; L56-F62 HydrophobicContact CD2-CE2 4.12Å; L56-F62 HydrophobicContact CD2-CZ 4.32Å; T59-F62 PolarHBondContact O-N 3.26Å; T59-F62 VanDerWaalsContact O-N 3.14Å; F62-F97 HydrophobicContact CB-CE2 3.58Å; F62-F97 HydrophobicContact CB-CZ 3.7Å; F62-F97 AromaticContact CD1-CE1 3.78Å; F62-F97 HydrophobicContact CD1-CE1 3.78Å; F62-F97 HydrophobicContact CD1-CE2 4.13Å; F62-F97 AromaticContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD2-CZ 4.21Å; F62-F97 HydrophobicContact CE1-CE1 4.16Å; F62-F97 HydrophobicContact CE1-CZ 4.03Å; F62-F97 HydrophobicContact CG-CE1 4.34Å; F62-F97 AromaticContact CG-CE2 3.95Å; F62-F97 HydrophobicContact CG-CE2 3.95Å; F62-F97 AromaticContact CG-CZ 3.49Å; F62-F97 HydrophobicContact CG-CZ 3.49Å; F62-F97 VanDerWaalsContact CG-CZ 3.49Å; F62-G98 WeakPolarHBondContact CA-O 3.5Å; F62-V99 HydrophobicContact CD1-CG2 4.12Å; F62-V99 HydrophobicContact CE1-CG2 3.89Å; F62-T114 HydrophobicContact CE2-CG2 3.97Å; F62-T114 HydrophobicContact CZ-CG2 4.01Å; F62-Q117 HydrophobicContact CE1-CB 3.74Å; F62-Q117 HydrophobicContact CZ-CB 3.83Å
63G97.4Very high92.8Very high0 Ų054.5 Ų54.50%026%0.259CS..EExtended strand (participates in β ladder)trans-151-178.7173.800000112.1G98G63-G98 PolarHBondContact N-O 3.18Å; G63-G98 PolarHBondContact O-N 3.21Å
64L97.6Very high93Very high1 Ų150.4 Ų50.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-119139.2171.9-62.6169.4000108.2I25 C46 L47 V50 V76 L95 F96 F97I25-L64 HydrophobicContact CG2-CD2 3.9Å; C46-L64 HydrophobicContact CB-CD1 3.79Å; C46-L64 VanDerWaalsContact SG-CD1 3.6Å; L47-L64 HydrophobicContact CB-CD1 4.1Å; L47-L64 HydrophobicContact CB-CG 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.22Å; V50-L64 HydrophobicContact CG2-CD2 4.39Å; L64-V76 HydrophobicContact CB-CB 4.22Å; L64-V76 HydrophobicContact CB-CG2 3.88Å; L64-V76 WeakPolarHBondContact O-CB 3.45Å; L64-V76 WeakPolarHBondContact O-CG2 3.41Å; L64-V76 PolarHBondContact O-N 3.4Å; L64-L95 HydrophobicContact CB-CD2 4.44Å; L64-L95 HydrophobicContact CD1-CD1 4.39Å; L64-F96 CarbonylContact C-O 3.57Å; L64-F96 WeakPolarHBondContact CA-O 3.42Å; L64-F97 HydrophobicContact CD2-CB 4.34Å; L64-F97 HydrophobicContact CD2-CD2 4.21Å
65W96.3Very high93.3Very high40 Ų4050.3 Ų50.315%0.15224%0.241CC..EExtended strand (participates in β ladder)trans-132.1165.1173.565.1-89.8000111.7L67 A73 R74 W75 L95 F96W65-L67 HydrophobicContact CZ3-CD2 4.07Å; W65-L67 HydrophobicContact CZ3-CG 4.33Å; W65-A73 HydrophobicContact CE3-CB 3.74Å; W65-A73 HydrophobicContact CZ3-CB 3.86Å; W65-R74 CarbonylContact C-O 3.53Å; W65-R74 VanDerWaalsContact CA-O 3.26Å; W65-R74 WeakPolarHBondContact CA-O 3.08Å; W65-R74 WeakPolarHBondContact CB-O 3.26Å; W65-W75 HydrophobicContact CB-CD2 4.13Å; W65-W75 HydrophobicContact CB-CE3 3.89Å; W65-W75 HydrophobicContact CB-CZ3 4.29Å; W65-W75 AromaticContact CD1-CH2 3.92Å; W65-W75 AromaticContact CD1-CZ3 3.78Å; W65-W75 HydrophobicContact CG-CE3 4.49Å; W65-W75 HydrophobicContact CG-CZ3 4.43Å; W65-L95 CarbonylContact O-C 3.6Å; W65-L95 WeakPolarHBondContact O-CA 3.49Å; W65-F96 HydrophobicContact CD2-CB 3.71Å; W65-F96 HydrophobicContact CD2-CD2 4.07Å; W65-F96 HydrophobicContact CD2-CG 4.15Å; W65-F96 AromaticContact CE2-CG 3.84Å; W65-F96 HydrophobicContact CE3-CB 4.29Å; W65-F96 AromaticContact CE3-CD2 3.76Å; W65-F96 HydrophobicContact CE3-CD2 3.76Å; W65-F96 HydrophobicContact CE3-CE2 4.45Å; W65-F96 HydrophobicContact CE3-CG 4.24Å; W65-F96 HydrophobicContact CG-CB 4.11Å; W65-F96 HydrophobicContact CH2-CB 4.18Å; W65-F96 HydrophobicContact CH2-CD1 4.13Å; W65-F96 AromaticContact CH2-CD2 3.77Å; W65-F96 HydrophobicContact CH2-CD2 3.77Å; W65-F96 HydrophobicContact CH2-CE1 4.47Å; W65-F96 HydrophobicContact CH2-CE2 4.15Å; W65-F96 AromaticContact CH2-CG 3.76Å; W65-F96 HydrophobicContact CH2-CG 3.76Å; W65-F96 HydrophobicContact CH2-CZ 4.48Å; W65-F96 HydrophobicContact CZ2-CB 3.58Å; W65-F96 HydrophobicContact CZ2-CD1 4.07Å; W65-F96 HydrophobicContact CZ2-CD2 4.08Å; W65-F96 AromaticContact CZ2-CG 3.65Å; W65-F96 HydrophobicContact CZ2-CG 3.65Å; W65-F96 HydrophobicContact CZ3-CB 4.5Å; W65-F96 AromaticContact CZ3-CD2 3.59Å; W65-F96 HydrophobicContact CZ3-CD2 3.59Å; W65-F96 AromaticContact CZ3-CE2 3.94Å; W65-F96 HydrophobicContact CZ3-CE2 3.94Å; W65-F96 HydrophobicContact CZ3-CG 4.06Å; W65-F96 PolarHBondContact N-O 2.9Å; W65-F96 PolarHBondContact O-N 3.47Å
66F95.8Very high93.4Very high1 Ų144 Ų440%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-143.2161179.458.8-84.8000110.9A73 R74 V76 H85 L86 F89 A90 L95F66-A73 WeakPolarHBondContact O-CA 3.32Å; F66-R74 VanDerWaalsContact CD1-O 3.26Å; F66-R74 WeakPolarHBondContact CD1-O 3.34Å; F66-R74 HydrophobicContact CE1-CB 4.3Å; F66-R74 WeakPolarHBondContact CE1-O 3.49Å; F66-R74 HydrophobicContact CE2-CB 4.19Å; F66-R74 HydrophobicContact CZ-CB 3.95Å; F66-R74 PolarHBondContact N-O 2.86Å; F66-R74 PolarHBondContact O-N 3Å; F66-V76 HydrophobicContact CD1-CG2 3.82Å; F66-V76 HydrophobicContact CE1-CG2 4.15Å; F66-H85 AromaticContact CE1-CE1 3.58Å; F66-H85 AromaticContact CE1-ND1 3.56Å; F66-H85 AromaticContact CZ-CE1 3.74Å; F66-H85 AromaticContact CZ-ND1 3.89Å; F66-L86 HydrophobicContact CB-CD2 4.19Å; F66-L86 HydrophobicContact CD1-CD2 4.06Å; F66-L86 HydrophobicContact CG-CD2 4Å; F66-F89 HydrophobicContact CE2-CB 3.73Å; F66-F89 HydrophobicContact CZ-CB 3.9Å; F66-A90 HydrophobicContact CB-CB 4.4Å; F66-A90 HydrophobicContact CD2-CB 3.44Å; F66-A90 VanDerWaalsContact CD2-CB 3.44Å; F66-A90 HydrophobicContact CE2-CB 3.95Å; F66-A90 HydrophobicContact CG-CB 4.08Å; F66-L95 HydrophobicContact CB-CD2 4.24Å
67L94.3Very high93.4Very high34 Ų3445.2 Ų45.218%0.17822%0.217CC..EExtended strand (participates in β ladder)trans-81.7124.1168.5-67173.1000109.8W65 A90 N91 F96 Y733W65-L67 HydrophobicContact CZ3-CD2 4.07Å; W65-L67 HydrophobicContact CZ3-CG 4.33Å; L67-A90 WeakPolarHBondContact O-CA 3.15Å; L67-N91 PolarHBondContact O-N 2.61Å; L67-F96 HydrophobicContact CG-CE2 4.41Å; L67-Y733 HydrophobicContact CD1-CE2 3.99Å
68S91.8Very high93.5Very high2 Ų237.3 Ų37.31%0.01419%0.19CC..BIsolated β-bridgetrans-68.9166.8175.773.70000111.9S70 Q71 Q72 F89S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 WeakPolarHBondContact OG-CA 3.16Å; S68-S70 PolarHBondContact OG-N 3.04Å; S68-S70 PolarHBondContact OG-OG 3.07Å; S68-Q71 WeakPolarHBondContact O-CA 3.36Å; S68-Q71 PolarHBondContact O-N 3.11Å; S68-Q71 PolarHBondContact OG-N 3.01Å; S68-Q72 WeakPolarHBondContact CB-O 3.37Å; S68-Q72 PolarHBondContact N-O 3.37Å; S68-Q72 PolarHBondContact OG-N 3.19Å; S68-Q72 PolarHBondContact OG-O 3.14Å; S68-F89 CarbonylContact C-O 3.49Å; S68-F89 VanDerWaalsContact CA-O 3.24Å; S68-F89 WeakPolarHBondContact CA-O 3.46Å
69K88.8Confident93.4Very high123 Ų12344 Ų4454%0.53522%0.221SC..THydrogen-bonded Turntrans-60.3-9.9167-64.2171.7-173.6171.30113.8D87 K88 F89 A90K69-D87 PolarHBondContact NZ-O 2.99Å; K69-K88 WeakPolarHBondContact CE-O 3.38Å; K69-K88 PolarHBondContact NZ-O 3.12Å; K69-F89 PolarHBondContact N-O 3.01Å; K69-A90 WeakPolarHBondContact CE-O 3.35Å; K69-A90 WeakPolarHBondContact CG-O 3.32Å
70S87.1Confident93.4Very high68 Ų6846.3 Ų46.348%0.47623%0.228SC..THydrogen-bonded Turntrans-103.415.2171.556.30000113.4S68 Q72S68-S70 PolarHBondContact O-N 3.09Å; S68-S70 WeakPolarHBondContact OG-CA 3.16Å; S68-S70 PolarHBondContact OG-N 3.04Å; S68-S70 PolarHBondContact OG-OG 3.07Å; S70-Q72 PolarHBondContact O-N 3.1Å; S70-Q72 PolarHBondContact OG-OE1 3.16Å
71Q87.9Confident93.5Very high112 Ų11244.4 Ų44.452%0.52322%0.223SC..SBendtrans54.427.2-175.9-54.5-59.1-15.100114.9S68 N91S68-Q71 WeakPolarHBondContact O-CA 3.36Å; S68-Q71 PolarHBondContact O-N 3.11Å; S68-Q71 PolarHBondContact OG-N 3.01Å; Q71-N91 PolarHBondContact NE2-ND2 3.06Å
72Q88.3Confident93.4Very high76 Ų7643.8 Ų43.836%0.35522%0.221SC..  trans-96.4132.4173.2-66.1169.2-18.300109.5S68 S70 R74S68-Q72 WeakPolarHBondContact CB-O 3.37Å; S68-Q72 PolarHBondContact N-O 3.37Å; S68-Q72 PolarHBondContact OG-N 3.19Å; S68-Q72 PolarHBondContact OG-O 3.14Å; S70-Q72 PolarHBondContact O-N 3.1Å; S70-Q72 PolarHBondContact OG-OE1 3.16Å; Q72-R74 PolarHBondContact O-N 3.14Å
73A91.4Very high93.2Very high54 Ų5446.4 Ų46.445%0.44623%0.232SC..EExtended strand (participates in β ladder)trans-62.1127.7167.700000109.9W65 F66W65-A73 HydrophobicContact CE3-CB 3.74Å; W65-A73 HydrophobicContact CZ3-CB 3.86Å; F66-A73 WeakPolarHBondContact O-CA 3.32Å
74R93.9Very high93Very high16 Ų1653 Ų536%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-133.8129.9176.7-66.5-170.4-178.4-171.4-1.6111.4W65 F66 Q72 Y290W65-R74 CarbonylContact C-O 3.53Å; W65-R74 VanDerWaalsContact CA-O 3.26Å; W65-R74 WeakPolarHBondContact CA-O 3.08Å; W65-R74 WeakPolarHBondContact CB-O 3.26Å; F66-R74 VanDerWaalsContact CD1-O 3.26Å; F66-R74 WeakPolarHBondContact CD1-O 3.34Å; F66-R74 HydrophobicContact CE1-CB 4.3Å; F66-R74 WeakPolarHBondContact CE1-O 3.49Å; F66-R74 HydrophobicContact CE2-CB 4.19Å; F66-R74 HydrophobicContact CZ-CB 3.95Å; F66-R74 PolarHBondContact N-O 2.86Å; F66-R74 PolarHBondContact O-N 3Å; Q72-R74 PolarHBondContact O-N 3.14Å; R74-Y290 WeakPolarHBondContact CA-OH 3.48Å; R74-Y290 HydrophobicContact CB-CD2 4.44Å; R74-Y290 HydrophobicContact CB-CE2 3.87Å; R74-Y290 HydrophobicContact CG-CD1 4.39Å; R74-Y290 HydrophobicContact CG-CD2 4.43Å; R74-Y290 HydrophobicContact CG-CE1 4.12Å; R74-Y290 HydrophobicContact CG-CE2 4.16Å
75W96Very high92.7Very high26 Ų2653.8 Ų53.810%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-64.9143.9172.7-65.8103.3000111.3W65 V99 M100 E218 Y290 L294W65-W75 HydrophobicContact CB-CD2 4.13Å; W65-W75 HydrophobicContact CB-CE3 3.89Å; W65-W75 HydrophobicContact CB-CZ3 4.29Å; W65-W75 AromaticContact CD1-CH2 3.92Å; W65-W75 AromaticContact CD1-CZ3 3.78Å; W65-W75 HydrophobicContact CG-CE3 4.49Å; W65-W75 HydrophobicContact CG-CZ3 4.43Å; W75-V99 VanDerWaalsContact CH2-O 3.3Å; W75-V99 WeakPolarHBondContact CH2-O 3.44Å; W75-M100 HydrophobicContact CB-CE 4.1Å; W75-M100 HydrophobicContact CD2-CE 4.46Å; W75-M100 HydrophobicContact CD2-CG 4.03Å; W75-M100 HydrophobicContact CD2-SD 4.32Å; W75-M100 HydrophobicContact CE3-CB 4.14Å; W75-M100 HydrophobicContact CE3-CG 3.99Å; W75-M100 HydrophobicContact CE3-SD 4.12Å; W75-M100 HydrophobicContact CG-CE 4.14Å; W75-M100 HydrophobicContact CH2-CB 4.01Å; W75-M100 HydrophobicContact CH2-CG 4.45Å; W75-M100 HydrophobicContact CZ2-CB 4.4Å; W75-M100 HydrophobicContact CZ2-CG 4.47Å; W75-M100 HydrophobicContact CZ3-CB 3.86Å; W75-M100 HydrophobicContact CZ3-CG 4.22Å; W75-E218 PolarHBondContact NE1-OE1 2.81Å; W75-E218 PolarHBondContact NE1-OE2 2.89Å; W75-E218 VanDerWaalsContact NE1-OE2 3.14Å; W75-Y290 VanDerWaalsContact CD1-OH 3.25Å; W75-Y290 PolarHBondContact N-OH 2.72Å; W75-L294 HydrophobicContact CG-CD1 4.27Å
76V95.6Very high92.5Very high6 Ų652.3 Ų52.34%0.03626%0.26CS..  trans-71.1130.8174.3171.90000109.6L64 F66 L78 L82 L95L64-V76 HydrophobicContact CB-CB 4.22Å; L64-V76 HydrophobicContact CB-CG2 3.88Å; L64-V76 WeakPolarHBondContact O-CB 3.45Å; L64-V76 WeakPolarHBondContact O-CG2 3.41Å; L64-V76 PolarHBondContact O-N 3.4Å; F66-V76 HydrophobicContact CD1-CG2 3.82Å; F66-V76 HydrophobicContact CE1-CG2 4.15Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 HydrophobicContact CB-CD2 4.39Å; V76-L78 HydrophobicContact CG1-CD2 4.19Å; V76-L78 PolarHBondContact O-N 2.85Å; V76-L82 HydrophobicContact CG1-CD1 3.75Å; V76-L82 HydrophobicContact CG2-CD1 4.12Å; V76-L95 HydrophobicContact CG2-CD2 3.64Å
77E93.6Very high92.3Very high37 Ų3757 Ų5717%0.17329%0.285CS..  trans-72.687.1169.8-65.3-173.1169.400109.1E79 K80 R293E77-E79 PolarHBondContact O-N 2.65Å; E77-E79 VanDerWaalsContact O-N 3.07Å; E77-K80 HydrophobicContact CB-CD 4.19Å; E77-K80 HydrophobicContact CB-CG 4.46Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-K80 VanDerWaalsContact OE2-CD 3.29Å; E77-K80 WeakPolarHBondContact OE2-CD 3.33Å; E77-K80 VanDerWaalsContact OE2-CE 3.32Å; E77-K80 WeakPolarHBondContact OE2-CE 3.37Å; E77-K80 IonicContact OE2-NZ 3.73Å; E77-K80 PolarHBondContact OE2-NZ 3.16Å; E77-R293 WeakPolarHBondContact OE1-CD 3.44Å; E77-R293 IonicContact OE1-CZ 2.79Å; E77-R293 IonicContact OE1-NE 3.92Å; E77-R293 IonicContact OE1-NH1 2.67Å; E77-R293 PolarHBondContact OE1-NH1 3.41Å; E77-R293 IonicContact OE2-NH1 2.66Å; E77-R293 PolarHBondContact OE2-NH1 3.04Å
78L93.4Very high92.2Very high34 Ų3460.6 Ų60.618%0.17830%0.299CS..THydrogen-bonded Turntrans-52.3-34.5-167.7-63.4176.3000114.3T42 G43 Q44 L47 V76 K80T42-L78 WeakPolarHBondContact CB-O 3.45Å; G43-L78 PolarHBondContact N-O 2.99Å; G43-L78 VanDerWaalsContact N-O 3.13Å; Q44-L78 HydrophobicContact CB-CB 4.28Å; Q44-L78 PolarHBondContact N-O 3.26Å; L47-L78 HydrophobicContact CB-CD2 4.32Å; L47-L78 HydrophobicContact CD2-CD1 3.78Å; L47-L78 HydrophobicContact CD2-CD2 4.19Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 HydrophobicContact CB-CD2 4.39Å; V76-L78 HydrophobicContact CG1-CD2 4.19Å; V76-L78 PolarHBondContact O-N 2.85Å; L78-K80 PolarHBondContact O-N 3.21Å; L78-K80 VanDerWaalsContact O-N 3.14Å
79E92.5Very high92.2Very high160 Ų16062.4 Ų62.475%0.74831%0.307SS*.THydrogen-bonded Turntrans-68.6-4.1178.4-61.8179.417300114.3E77E77-E79 PolarHBondContact O-N 2.65Å; E77-E79 VanDerWaalsContact O-N 3.07Å
80K92.9Very high92.3Very high84 Ų8456.9 Ų56.937%0.36528%0.284SS..SBendtrans-116.9153.7-171.6-66.3-175.7-174167.80114.3T42 G43 E77 L78 L82T42-K80 CarbonylContact C-O 3.57Å; T42-K80 VanDerWaalsContact CA-O 3.24Å; T42-K80 WeakPolarHBondContact CA-O 3.4Å; G43-K80 PolarHBondContact N-O 3.09Å; G43-K80 VanDerWaalsContact N-O 3.08Å; E77-K80 HydrophobicContact CB-CD 4.19Å; E77-K80 HydrophobicContact CB-CG 4.46Å; E77-K80 WeakPolarHBondContact O-CB 3.4Å; E77-K80 PolarHBondContact O-N 3.15Å; E77-K80 VanDerWaalsContact OE2-CD 3.29Å; E77-K80 WeakPolarHBondContact OE2-CD 3.33Å; E77-K80 VanDerWaalsContact OE2-CE 3.32Å; E77-K80 WeakPolarHBondContact OE2-CE 3.37Å; E77-K80 IonicContact OE2-NZ 3.73Å; E77-K80 PolarHBondContact OE2-NZ 3.16Å; L78-K80 PolarHBondContact O-N 3.21Å; L78-K80 VanDerWaalsContact O-N 3.14Å; K80-L82 PolarHBondContact O-N 3.03Å
81P94.7Very high92.5Very high44 Ų4457.6 Ų57.629%0.28628%0.283SS..BIsolated β-bridgetrans-55.3112.4174.7-26.935.8000112S41 K83 K84 H85S41-P81 CarbonylContact O-C 3.55Å; S41-P81 WeakPolarHBondContact O-CA 3.32Å; P81-K83 PolarHBondContact O-N 2.83Å; P81-K84 HydrophobicContact CB-CD 4.33Å; P81-K84 PolarHBondContact O-N 3.16Å; P81-H85 PolarHBondContact O-N 3.42Å
82L95Very high92.4Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-61.1-42.6-166.9175.458.1000111.9F21 L37 S41 C46 V76 K80 K84 H85 L86 L95F21-L82 HydrophobicContact CZ-CB 4.2Å; F21-L82 HydrophobicContact CZ-CD2 4.09Å; F21-L82 HydrophobicContact CZ-CG 4.01Å; L37-L82 HydrophobicContact CD1-CD2 3.69Å; S41-L82 PolarHBondContact O-N 3.41Å; C46-L82 HydrophobicContact CB-CD2 3.59Å; V76-L82 HydrophobicContact CG1-CD1 3.75Å; V76-L82 HydrophobicContact CG2-CD1 4.12Å; K80-L82 PolarHBondContact O-N 3.03Å; L82-K84 PolarHBondContact O-N 3.29Å; L82-H85 WeakPolarHBondContact O-CA 3.41Å; L82-H85 WeakPolarHBondContact O-CB 3.23Å; L82-H85 PolarHBondContact O-N 3.21Å; L82-L86 HydrophobicContact CD1-CD1 3.98Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 PolarHBondContact O-N 3.42Å; L82-L95 HydrophobicContact CD1-CD1 4.41Å; L82-L95 HydrophobicContact CD1-CD2 4.49Å; L82-L95 HydrophobicContact CD2-CD1 3.99Å
83K93.3Very high92.2Very high57 Ų5756.9 Ų56.925%0.24829%0.285CS..Hα-helixtrans-57.3-48179.7-166.1-175.8174.6176.30112.1F21 V39 P81 H85 L86 D87F21-K83 HydrophobicContact CB-CD 4.14Å; F21-K83 HydrophobicContact CD1-CB 3.9Å; F21-K83 HydrophobicContact CD1-CD 4.12Å; F21-K83 HydrophobicContact CD1-CG 4.16Å; F21-K83 HydrophobicContact CD2-CB 4.47Å; F21-K83 HydrophobicContact CD2-CG 4.26Å; F21-K83 HydrophobicContact CE1-CB 3.69Å; F21-K83 HydrophobicContact CE1-CG 4.38Å; F21-K83 HydrophobicContact CE2-CB 4.28Å; F21-K83 HydrophobicContact CE2-CG 4.47Å; F21-K83 HydrophobicContact CG-CB 4.3Å; F21-K83 HydrophobicContact CG-CD 4.07Å; F21-K83 HydrophobicContact CG-CG 4.1Å; F21-K83 HydrophobicContact CZ-CB 3.89Å; V39-K83 HydrophobicContact CG1-CD 4.38Å; V39-K83 HydrophobicContact CG2-CD 3.9Å; P81-K83 PolarHBondContact O-N 2.83Å; K83-H85 PolarHBondContact O-N 3.08Å; K83-L86 PolarHBondContact O-N 3.35Å; K83-D87 WeakPolarHBondContact CE-OD2 3.38Å; K83-D87 WeakPolarHBondContact O-CB 3.42Å; K83-D87 PolarHBondContact O-N 3.44Å
84K92.1Very high92.2Very high139 Ų13955.5 Ų55.560%0.60427%0.271SS*.Hα-helixtrans-64-27.2178.9-64.8179.7-177.5172.60112.4P81 L82 K88P81-K84 HydrophobicContact CB-CD 4.33Å; P81-K84 PolarHBondContact O-N 3.16Å; L82-K84 PolarHBondContact O-N 3.29Å; K84-K88 WeakPolarHBondContact O-CB 3.25Å; K84-K88 PolarHBondContact O-N 3.25Å
85H91.4Very high92.4Very high17 Ų1754.8 Ų54.88%0.07927%0.268CS..Hα-helixtrans-73-48.1175.1-159.4-121.5000111.2F66 P81 L82 K83 F89F66-H85 AromaticContact CE1-CE1 3.58Å; F66-H85 AromaticContact CE1-ND1 3.56Å; F66-H85 AromaticContact CZ-CE1 3.74Å; F66-H85 AromaticContact CZ-ND1 3.89Å; P81-H85 PolarHBondContact O-N 3.42Å; L82-H85 WeakPolarHBondContact O-CA 3.41Å; L82-H85 WeakPolarHBondContact O-CB 3.23Å; L82-H85 PolarHBondContact O-N 3.21Å; K83-H85 PolarHBondContact O-N 3.08Å; H85-F89 AromaticContact CD2-CD2 3.59Å; H85-F89 AromaticContact CD2-CE2 3.66Å; H85-F89 AromaticContact NE2-CD2 3.65Å; H85-F89 AromaticContact NE2-CE2 3.72Å; H85-F89 WeakPolarHBondContact O-CD2 3.33Å; H85-F89 PolarHBondContact O-N 3.29Å
86L93.1Very high92.4Very high9 Ų954.3 Ų54.35%0.04727%0.267CS..Hα-helixtrans-65.5-52.8178-65.4176.1000112F21 F66 L82 K83 K88 F89 A90 L95F21-L86 HydrophobicContact CE2-CD1 4.25Å; F66-L86 HydrophobicContact CB-CD2 4.19Å; F66-L86 HydrophobicContact CD1-CD2 4.06Å; F66-L86 HydrophobicContact CG-CD2 4Å; L82-L86 HydrophobicContact CD1-CD1 3.98Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 4.02Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 PolarHBondContact O-N 3.42Å; K83-L86 PolarHBondContact O-N 3.35Å; L86-K88 PolarHBondContact O-N 2.92Å; L86-K88 VanDerWaalsContact O-N 3.08Å; L86-F89 PolarHBondContact O-N 3.48Å; L86-A90 HydrophobicContact CB-CB 4.21Å; L86-A90 HydrophobicContact CD2-CB 3.7Å; L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 2.92Å; L86-L95 HydrophobicContact CD2-CD2 4.01Å
87D91.8Very high92.6Very high100 Ų10054.2 Ų54.254%0.53527%0.266SS..Hα-helixtrans-50.2-39.7178.3-69.7-12.8000111.2K69 K83K69-D87 PolarHBondContact NZ-O 2.99Å; K83-D87 WeakPolarHBondContact CE-OD2 3.38Å; K83-D87 WeakPolarHBondContact O-CB 3.42Å; K83-D87 PolarHBondContact O-N 3.44Å
88K92Very high92.7Very high108 Ų10852.5 Ų52.547%0.4726%0.257SS..Hα-helixtrans-74-57.2176.6-173.2179.3173.2-162.60112.8K69 K84 L86 E286K69-K88 WeakPolarHBondContact CE-O 3.38Å; K69-K88 PolarHBondContact NZ-O 3.12Å; K84-K88 WeakPolarHBondContact O-CB 3.25Å; K84-K88 PolarHBondContact O-N 3.25Å; L86-K88 PolarHBondContact O-N 2.92Å; L86-K88 VanDerWaalsContact O-N 3.08Å; K88-E286 IonicContact NZ-OE1 3.18Å; K88-E286 PolarHBondContact NZ-OE1 3.41Å; K88-E286 IonicContact NZ-OE2 3.55Å
89F91.3Very high92.9Very high40 Ų4050.9 Ų50.918%0.17525%0.249CC..Hα-helixtrans-105.4-26.8-161.1-63.2-69000115.6F66 S68 K69 H85 L86 E286F66-F89 HydrophobicContact CE2-CB 3.73Å; F66-F89 HydrophobicContact CZ-CB 3.9Å; S68-F89 CarbonylContact C-O 3.49Å; S68-F89 VanDerWaalsContact CA-O 3.24Å; S68-F89 WeakPolarHBondContact CA-O 3.46Å; K69-F89 PolarHBondContact N-O 3.01Å; H85-F89 AromaticContact CD2-CD2 3.59Å; H85-F89 AromaticContact CD2-CE2 3.66Å; H85-F89 AromaticContact NE2-CD2 3.65Å; H85-F89 AromaticContact NE2-CE2 3.72Å; H85-F89 WeakPolarHBondContact O-CD2 3.33Å; H85-F89 PolarHBondContact O-N 3.29Å; L86-F89 PolarHBondContact O-N 3.48Å; F89-E286 WeakPolarHBondContact CE1-OE2 3.4Å
90A91.5Very high93Very high8 Ų843.9 Ų43.97%0.06622%0.217CC..BIsolated β-bridgetrans-82.6149.1-171.300000112.8F66 L67 K69 L86F66-A90 HydrophobicContact CB-CB 4.4Å; F66-A90 HydrophobicContact CD2-CB 3.44Å; F66-A90 VanDerWaalsContact CD2-CB 3.44Å; F66-A90 HydrophobicContact CE2-CB 3.95Å; F66-A90 HydrophobicContact CG-CB 4.08Å; L67-A90 WeakPolarHBondContact O-CA 3.15Å; K69-A90 WeakPolarHBondContact CE-O 3.35Å; K69-A90 WeakPolarHBondContact CG-O 3.32Å; L86-A90 HydrophobicContact CB-CB 4.21Å; L86-A90 HydrophobicContact CD2-CB 3.7Å; L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 2.92Å
91N90.3Very high93.1Very high83 Ų8340.6 Ų40.644%0.44420%0.202SC..SBendtrans-73.9-41.4170.6-167.954000111.3L67 Q71L67-N91 PolarHBondContact O-N 2.61Å; Q71-N91 PolarHBondContact NE2-ND2 3.06Å
92E86.3Confident93.1Very high100 Ų10039.1 Ų39.147%0.46719%0.191SC..SBendtrans-135.2158.7179.7-79.6-168.3-145.600111.8R24 L94R24-E92 IonicContact NH2-OE2 2.67Å; R24-E92 PolarHBondContact NH2-OE2 3.27Å; E92-L94 HydrophobicContact CB-CB 4.35Å; E92-L94 PolarHBondContact O-N 3.27Å
93P83.8Confident93.1Very high72 Ų7239.2 Ų39.247%0.46819%0.192SC..SBendtrans-76.739.8169.835.5-37.4000112.8T23 R24T23-P93 PolarHBondContact OG1-O 3.01Å; R24-P93 PolarHBondContact N-O 3.34Å
94L92.7Very high92.8Very high26 Ų2638.2 Ų38.214%0.13619%0.191CC..EExtended strand (participates in β ladder)trans-107.4119.9173.5178.662.6000109.3R24 E92 F96R24-L94 HydrophobicContact CB-CD1 3.87Å; E92-L94 HydrophobicContact CB-CB 4.35Å; E92-L94 PolarHBondContact O-N 3.27Å; L94-F96 HydrophobicContact CD2-CE1 4.25Å; L94-F96 HydrophobicContact CD2-CE2 4.15Å; L94-F96 HydrophobicContact CD2-CZ 3.63Å; L94-F96 HydrophobicContact CG-CE2 4.05Å; L94-F96 HydrophobicContact CG-CZ 3.97Å
95L96.8Very high92.6Very high0 Ų033.9 Ų33.90%018%0.175CC..EExtended strand (participates in β ladder)trans-100.3160.4171.5-68167.7000110.2T23 R24 I25 R26 L64 W65 F66 V76 L82 L86T23-L95 HydrophobicContact CG2-CD1 3.85Å; R24-L95 PolarHBondContact O-N 3.3Å; I25-L95 CarbonylContact C-O 3.55Å; I25-L95 WeakPolarHBondContact CA-O 3.37Å; I25-L95 HydrophobicContact CB-CB 4.35Å; I25-L95 HydrophobicContact CG1-CB 3.95Å; I25-L95 HydrophobicContact CG1-CD1 4.09Å; I25-L95 HydrophobicContact CG2-CB 4.23Å; R26-L95 PolarHBondContact N-O 3.5Å; L64-L95 HydrophobicContact CB-CD2 4.44Å; L64-L95 HydrophobicContact CD1-CD1 4.39Å; W65-L95 CarbonylContact O-C 3.6Å; W65-L95 WeakPolarHBondContact O-CA 3.49Å; F66-L95 HydrophobicContact CB-CD2 4.24Å; V76-L95 HydrophobicContact CG2-CD2 3.64Å; L82-L95 HydrophobicContact CD1-CD1 4.41Å; L82-L95 HydrophobicContact CD1-CD2 4.49Å; L82-L95 HydrophobicContact CD2-CD1 3.99Å; L86-L95 HydrophobicContact CD2-CD2 4.01Å
96F97.3Very high92.6Very high17 Ų1733.4 Ų33.48%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-128.7131.5173.3-59.3-93.8000108.3R26 L64 W65 L67 L94R26-F96 HydrophobicContact CB-CD1 3.89Å; R26-F96 HydrophobicContact CB-CE1 4.24Å; R26-F96 HydrophobicContact CG-CD1 4.44Å; R26-F96 WeakPolarHBondContact O-CA 3.13Å; L64-F96 CarbonylContact C-O 3.57Å; L64-F96 WeakPolarHBondContact CA-O 3.42Å; W65-F96 HydrophobicContact CD2-CB 3.71Å; W65-F96 HydrophobicContact CD2-CD2 4.07Å; W65-F96 HydrophobicContact CD2-CG 4.15Å; W65-F96 AromaticContact CE2-CG 3.84Å; W65-F96 HydrophobicContact CE3-CB 4.29Å; W65-F96 AromaticContact CE3-CD2 3.76Å; W65-F96 HydrophobicContact CE3-CD2 3.76Å; W65-F96 HydrophobicContact CE3-CE2 4.45Å; W65-F96 HydrophobicContact CE3-CG 4.24Å; W65-F96 HydrophobicContact CG-CB 4.11Å; W65-F96 HydrophobicContact CH2-CB 4.18Å; W65-F96 HydrophobicContact CH2-CD1 4.13Å; W65-F96 AromaticContact CH2-CD2 3.77Å; W65-F96 HydrophobicContact CH2-CD2 3.77Å; W65-F96 HydrophobicContact CH2-CE1 4.47Å; W65-F96 HydrophobicContact CH2-CE2 4.15Å; W65-F96 AromaticContact CH2-CG 3.76Å; W65-F96 HydrophobicContact CH2-CG 3.76Å; W65-F96 HydrophobicContact CH2-CZ 4.48Å; W65-F96 HydrophobicContact CZ2-CB 3.58Å; W65-F96 HydrophobicContact CZ2-CD1 4.07Å; W65-F96 HydrophobicContact CZ2-CD2 4.08Å; W65-F96 AromaticContact CZ2-CG 3.65Å; W65-F96 HydrophobicContact CZ2-CG 3.65Å; W65-F96 HydrophobicContact CZ3-CB 4.5Å; W65-F96 AromaticContact CZ3-CD2 3.59Å; W65-F96 HydrophobicContact CZ3-CD2 3.59Å; W65-F96 AromaticContact CZ3-CE2 3.94Å; W65-F96 HydrophobicContact CZ3-CE2 3.94Å; W65-F96 HydrophobicContact CZ3-CG 4.06Å; W65-F96 PolarHBondContact N-O 2.9Å; W65-F96 PolarHBondContact O-N 3.47Å; L67-F96 HydrophobicContact CG-CE2 4.41Å; L94-F96 HydrophobicContact CD2-CE1 4.25Å; L94-F96 HydrophobicContact CD2-CE2 4.15Å; L94-F96 HydrophobicContact CD2-CZ 3.63Å; L94-F96 HydrophobicContact CG-CE2 4.05Å; L94-F96 HydrophobicContact CG-CZ 3.97Å
97F98Very high92.4Very high4 Ų436.7 Ų36.72%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-81.7147.8170.3-178.7-108000109.8I25 R26 L27 L28 L47 V50 L54 L56 F62 L64I25-F97 HydrophobicContact CG2-CB 4.1Å; R26-F97 PolarHBondContact O-N 3.21Å; L27-F97 HydrophobicContact CD2-CB 4.04Å; L27-F97 HydrophobicContact CD2-CD1 4.43Å; L27-F97 HydrophobicContact CD2-CG 4.34Å; L28-F97 HydrophobicContact CD1-CD1 3.97Å; L28-F97 HydrophobicContact CD1-CE1 4.08Å; L28-F97 WeakPolarHBondContact CD2-O 3.43Å; L28-F97 HydrophobicContact CG-CD1 4.04Å; L47-F97 HydrophobicContact CD1-CD2 4.07Å; L47-F97 HydrophobicContact CD1-CE2 3.77Å; V50-F97 HydrophobicContact CG1-CB 4.48Å; V50-F97 HydrophobicContact CG1-CD2 3.65Å; V50-F97 HydrophobicContact CG1-CE2 3.98Å; V50-F97 HydrophobicContact CG1-CG 4.05Å; L54-F97 HydrophobicContact CD1-CD1 4Å; L54-F97 HydrophobicContact CD1-CE1 3.54Å; L54-F97 HydrophobicContact CD1-CE2 4.47Å; L54-F97 HydrophobicContact CD1-CZ 3.81Å; L56-F97 HydrophobicContact CD1-CE1 4.26Å; L56-F97 HydrophobicContact CD1-CZ 3.6Å; F62-F97 HydrophobicContact CB-CE2 3.58Å; F62-F97 HydrophobicContact CB-CZ 3.7Å; F62-F97 AromaticContact CD1-CE1 3.78Å; F62-F97 HydrophobicContact CD1-CE1 3.78Å; F62-F97 HydrophobicContact CD1-CE2 4.13Å; F62-F97 AromaticContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD1-CZ 3.38Å; F62-F97 HydrophobicContact CD2-CZ 4.21Å; F62-F97 HydrophobicContact CE1-CE1 4.16Å; F62-F97 HydrophobicContact CE1-CZ 4.03Å; F62-F97 HydrophobicContact CG-CE1 4.34Å; F62-F97 AromaticContact CG-CE2 3.95Å; F62-F97 HydrophobicContact CG-CE2 3.95Å; F62-F97 AromaticContact CG-CZ 3.49Å; F62-F97 HydrophobicContact CG-CZ 3.49Å; F62-F97 VanDerWaalsContact CG-CZ 3.49Å; L64-F97 HydrophobicContact CD2-CB 4.34Å; L64-F97 HydrophobicContact CD2-CD2 4.21Å
98G97.1Very high92.3Very high0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-177.7169.2179.700000114F62 G63 M100 Q121F62-G98 WeakPolarHBondContact CA-O 3.5Å; G63-G98 PolarHBondContact N-O 3.18Å; G63-G98 PolarHBondContact O-N 3.21Å; G98-M100 PolarHBondContact O-N 3.14Å; G98-Q121 VanDerWaalsContact CA-OE1 3.31Å
99V97Very high92.4Very high1 Ų131.4 Ų31.41%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-75119.8176.3-1800000109.3F62 W75 F101 Y102 Y118 Q121F62-V99 HydrophobicContact CD1-CG2 4.12Å; F62-V99 HydrophobicContact CE1-CG2 3.89Å; W75-V99 VanDerWaalsContact CH2-O 3.3Å; W75-V99 WeakPolarHBondContact CH2-O 3.44Å; V99-F101 WeakPolarHBondContact CG1-O 3.44Å; V99-Y102 HydrophobicContact CB-CE2 4.03Å; V99-Y102 HydrophobicContact CG1-CD1 4.46Å; V99-Y102 HydrophobicContact CG1-CD2 3.86Å; V99-Y102 HydrophobicContact CG1-CE1 4.43Å; V99-Y102 HydrophobicContact CG1-CE2 3.8Å; V99-Y102 HydrophobicContact CG1-CG 4.18Å; V99-Y102 WeakPolarHBondContact O-CE2 3.5Å; V99-Y118 HydrophobicContact CG1-CD2 4.02Å; V99-Y118 HydrophobicContact CG1-CE2 3.71Å; V99-Y118 HydrophobicContact CG2-CD2 3.78Å; V99-Y118 HydrophobicContact CG2-CE2 4.28Å; V99-Y118 HydrophobicContact CG2-CG 4.29Å; V99-Q121 HydrophobicContact CB-CB 4.48Å; V99-Q121 HydrophobicContact CB-CG 3.9Å; V99-Q121 HydrophobicContact CG2-CB 3.75Å; V99-Q121 HydrophobicContact CG2-CG 3.71Å
100M95.5Very high92.4Very high12 Ų1236 Ų366%0.05919%0.188CC..SBendtrans-94.4-27.7178.5-172.6174-177.800112Y61 W75 G98 L294 T297 R298Y61-M100 PolarHBondContact O-N 3.26Å; W75-M100 HydrophobicContact CB-CE 4.1Å; W75-M100 HydrophobicContact CD2-CE 4.46Å; W75-M100 HydrophobicContact CD2-CG 4.03Å; W75-M100 HydrophobicContact CD2-SD 4.32Å; W75-M100 HydrophobicContact CE3-CB 4.14Å; W75-M100 HydrophobicContact CE3-CG 3.99Å; W75-M100 HydrophobicContact CE3-SD 4.12Å; W75-M100 HydrophobicContact CG-CE 4.14Å; W75-M100 HydrophobicContact CH2-CB 4.01Å; W75-M100 HydrophobicContact CH2-CG 4.45Å; W75-M100 HydrophobicContact CZ2-CB 4.4Å; W75-M100 HydrophobicContact CZ2-CG 4.47Å; W75-M100 HydrophobicContact CZ3-CB 3.86Å; W75-M100 HydrophobicContact CZ3-CG 4.22Å; G98-M100 PolarHBondContact O-N 3.14Å; M100-L294 HydrophobicContact CE-CD1 3.84Å; M100-T297 HydrophobicContact CE-CG2 4.4Å; M100-R298 VanDerWaalsContact O-CZ 3.3Å; M100-R298 PolarHBondContact O-NE 3.29Å; M100-R298 PolarHBondContact O-NH2 2.86Å
101F95.3Very high92.6Very high15 Ų1537.4 Ų37.47%0.06619%0.194CC..SBendtrans-129.8113.9-179.6-48.7-88000109.9H60 Y61 V99 T297 R298 F301 Y302H60-F101 WeakPolarHBondContact O-CD2 3.47Å; Y61-F101 PolarHBondContact O-N 3.45Å; V99-F101 WeakPolarHBondContact CG1-O 3.44Å; F101-T297 HydrophobicContact CE1-CG2 4.37Å; F101-T297 HydrophobicContact CZ-CG2 4.12Å; F101-R298 HydrophobicContact CD1-CG 3.79Å; F101-R298 HydrophobicContact CE1-CB 4.49Å; F101-R298 HydrophobicContact CE1-CG 3.75Å; F101-F301 HydrophobicContact CB-CD1 3.74Å; F101-F301 HydrophobicContact CB-CE1 3.44Å; F101-F301 VanDerWaalsContact CB-CE1 3.44Å; F101-F301 HydrophobicContact CB-CE2 4.26Å; F101-F301 HydrophobicContact CB-CG 4.29Å; F101-F301 HydrophobicContact CB-CZ 3.73Å; F101-F301 HydrophobicContact CD1-CB 3.62Å; F101-F301 AromaticContact CD1-CD1 3.48Å; F101-F301 HydrophobicContact CD1-CD1 3.48Å; F101-F301 VanDerWaalsContact CD1-CD1 3.48Å; F101-F301 AromaticContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CE1 4.11Å; F101-F301 HydrophobicContact CD1-CE2 4.45Å; F101-F301 AromaticContact CD1-CG 3.37Å; F101-F301 HydrophobicContact CD1-CG 3.37Å; F101-F301 HydrophobicContact CD2-CD2 4.03Å; F101-F301 HydrophobicContact CD2-CE2 4.03Å; F101-F301 HydrophobicContact CD2-CG 4.34Å; F101-F301 HydrophobicContact CD2-CZ 4.34Å; F101-F301 HydrophobicContact CE1-CB 3.51Å; F101-F301 HydrophobicContact CE1-CD1 4.27Å; F101-F301 HydrophobicContact CE1-CD2 4.07Å; F101-F301 AromaticContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE2-CD2 4.2Å; F101-F301 HydrophobicContact CG-CB 4.45Å; F101-F301 AromaticContact CG-CD1 3.7Å; F101-F301 HydrophobicContact CG-CD1 3.7Å; F101-F301 AromaticContact CG-CD2 3.89Å; F101-F301 HydrophobicContact CG-CD2 3.89Å; F101-F301 AromaticContact CG-CE1 3.83Å; F101-F301 HydrophobicContact CG-CE1 3.83Å; F101-F301 AromaticContact CG-CE2 4Å; F101-F301 HydrophobicContact CG-CE2 4Å; F101-F301 AromaticContact CG-CG 3.74Å; F101-F301 HydrophobicContact CG-CG 3.74Å; F101-F301 AromaticContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CZ-CB 4.26Å; F101-F301 HydrophobicContact CZ-CD2 4.22Å; F101-F301 HydrophobicContact CZ-CG 4.3Å; F101-Y302 HydrophobicContact CB-CE1 4.38Å
102Y94.8Very high92.7Very high14 Ų1437.4 Ų37.46%0.05519%0.191CC..  trans-88.5145.2-179.9-72.1-110000109.6V99 Y118 Q121 V122 D125 F215 G216 F236 Y302V99-Y102 HydrophobicContact CB-CE2 4.03Å; V99-Y102 HydrophobicContact CG1-CD1 4.46Å; V99-Y102 HydrophobicContact CG1-CD2 3.86Å; V99-Y102 HydrophobicContact CG1-CE1 4.43Å; V99-Y102 HydrophobicContact CG1-CE2 3.8Å; V99-Y102 HydrophobicContact CG1-CG 4.18Å; V99-Y102 WeakPolarHBondContact O-CE2 3.5Å; Y102-Y118 VanDerWaalsContact CA-OH 3.31Å; Y102-Y118 WeakPolarHBondContact CA-OH 3.48Å; Y102-Y118 WeakPolarHBondContact CB-OH 3.43Å; Y102-Y118 HydrophobicContact CD1-CE1 4.46Å; Y102-Y118 AromaticContact CD1-CZ 3.91Å; Y102-Y118 WeakPolarHBondContact CD1-OH 3.45Å; Y102-Q121 HydrophobicContact CE1-CG 4.46Å; Y102-Q121 WeakPolarHBondContact OH-CG 3.43Å; Y102-Q121 PolarHBondContact OH-NE2 2.99Å; Y102-V122 HydrophobicContact CE1-CG1 4.37Å; Y102-D125 PolarHBondContact OH-OD2 3.1Å; Y102-D125 VanDerWaalsContact OH-OD2 3.08Å; Y102-F215 HydrophobicContact CD1-CE2 4.1Å; Y102-F215 HydrophobicContact CD1-CZ 4.25Å; Y102-G216 VanDerWaalsContact CG-CA 3.43Å; Y102-F236 WeakPolarHBondContact O-CB 3.44Å; Y102-Y302 PolarHBondContact N-OH 3.09Å; Y102-Y302 WeakPolarHBondContact O-CE1 3.36Å; Y102-Y302 PolarHBondContact O-OH 3.24Å
103V93.1Very high93Very high1 Ų134 Ų341%0.00618%0.18CC..  trans-100149.4178.2-69.50000111Y61 N105 W108 L109 Y118 F215Y61-V103 HydrophobicContact CD1-CG1 3.99Å; Y61-V103 HydrophobicContact CE1-CG1 3.38Å; V103-N105 WeakPolarHBondContact CG2-O 3.48Å; V103-N105 PolarHBondContact O-N 3.43Å; V103-W108 HydrophobicContact CB-CB 3.95Å; V103-W108 HydrophobicContact CB-CG 4.26Å; V103-W108 HydrophobicContact CG1-CB 3.76Å; V103-W108 HydrophobicContact CG1-CG 4.27Å; V103-W108 HydrophobicContact CG2-CB 4.29Å; V103-L109 HydrophobicContact CG1-CD2 4.17Å; V103-L109 HydrophobicContact CG2-CD1 4.33Å; V103-L109 HydrophobicContact CG2-CD2 3.92Å; V103-L109 HydrophobicContact CG2-CG 4Å; V103-Y118 HydrophobicContact CG2-CE2 4.19Å; V103-Y118 PolarHBondContact N-OH 3.42Å; V103-F215 WeakPolarHBondContact O-CE1 3.47Å
104P88.4Confident93.6Very high37 Ų3730.6 Ų30.624%0.2416%0.158CC..SBendtrans-71.1-16.6-178.729.6-37.9000114.1F236 I307P104-F236 HydrophobicContact CB-CD2 3.71Å; P104-F236 HydrophobicContact CB-CE2 3.64Å; P104-F236 HydrophobicContact CB-CZ 4.45Å; P104-I307 HydrophobicContact CG-CG2 4.06Å
105N86.9Confident93.8Very high48 Ų4831.7 Ų31.726%0.25716%0.16SC..SBendtrans-156.6147.5172.7172.8-101.5000109.5V103 S107 W108 E210V103-N105 WeakPolarHBondContact CG2-O 3.48Å; V103-N105 PolarHBondContact O-N 3.43Å; N105-S107 PolarHBondContact O-N 3.33Å; N105-S107 VanDerWaalsContact O-N 3.12Å; N105-S107 WeakPolarHBondContact OD1-CB 3.32Å; N105-S107 PolarHBondContact OD1-N 3.43Å; N105-S107 PolarHBondContact OD1-OG 3.09Å; N105-W108 PolarHBondContact O-N 3.5Å; N105-E210 VanDerWaalsContact CA-OE2 3.27Å; N105-E210 WeakPolarHBondContact CA-OE2 3.18Å; N105-E210 PolarHBondContact ND2-OE1 3.03Å; N105-E210 PolarHBondContact ND2-OE2 2.85Å
106V90.9Very high93.8Very high7 Ų735.2 Ų35.24%0.04217%0.174CC..G310 helixtrans-58.9-21.8-178.468.90000115.4W108 L109 R115 L203 I206 E210V106-W108 PolarHBondContact O-N 3.12Å; V106-L109 HydrophobicContact CG2-CD1 4.37Å; V106-L109 PolarHBondContact O-N 3.5Å; V106-R115 HydrophobicContact CG2-CG 4.36Å; V106-L203 HydrophobicContact CB-CD1 4.22Å; V106-L203 HydrophobicContact CG1-CD1 3.53Å; V106-L203 HydrophobicContact CG2-CD1 3.63Å; V106-I206 HydrophobicContact CB-CB 4.47Å; V106-I206 HydrophobicContact CB-CG2 3.8Å; V106-I206 HydrophobicContact CG2-CB 4.15Å; V106-I206 HydrophobicContact CG2-CD1 4.05Å; V106-I206 HydrophobicContact CG2-CG2 3.76Å; V106-E210 PolarHBondContact N-OE2 3.4Å
107S89.8Confident93.8Very high78 Ų7834.8 Ų34.855%0.54517%0.172SC..G310 helixtrans-61.3-13178.2610000115.2N105 L109 Q110N105-S107 PolarHBondContact O-N 3.33Å; N105-S107 VanDerWaalsContact O-N 3.12Å; N105-S107 WeakPolarHBondContact OD1-CB 3.32Å; N105-S107 PolarHBondContact OD1-N 3.43Å; N105-S107 PolarHBondContact OD1-OG 3.09Å; S107-L109 VanDerWaalsContact C-N 3.32Å; S107-Q110 PolarHBondContact O-NE2 2.87Å
108W90.5Very high93.7Very high94 Ų9434.6 Ų34.636%0.35617%0.171SC..G310 helixtrans-73.1-22.1171.5-71.975.6000113Y61 V103 N105 V106 Q110 I307Y61-W108 PolarHBondContact OH-O 3.26Å; V103-W108 HydrophobicContact CB-CB 3.95Å; V103-W108 HydrophobicContact CB-CG 4.26Å; V103-W108 HydrophobicContact CG1-CB 3.76Å; V103-W108 HydrophobicContact CG1-CG 4.27Å; V103-W108 HydrophobicContact CG2-CB 4.29Å; N105-W108 PolarHBondContact O-N 3.5Å; V106-W108 PolarHBondContact O-N 3.12Å; W108-Q110 VanDerWaalsContact C-NE2 3.27Å; W108-Q110 PolarHBondContact O-N 3.41Å; W108-Q110 PolarHBondContact O-NE2 3.45Å; W108-I307 HydrophobicContact CD2-CG1 4.23Å; W108-I307 HydrophobicContact CE3-CD1 4.25Å; W108-I307 HydrophobicContact CE3-CG1 3.71Å; W108-I307 HydrophobicContact CH2-CB 4.39Å; W108-I307 HydrophobicContact CH2-CG1 3.66Å; W108-I307 HydrophobicContact CZ2-CG1 4.17Å; W108-I307 HydrophobicContact CZ3-CD1 4.3Å; W108-I307 HydrophobicContact CZ3-CG1 3.41Å; W108-I307 VanDerWaalsContact CZ3-CG1 3.41Å
109L93.3Very high93.7Very high3 Ų334.6 Ų34.62%0.01617%0.171CC..  trans-92.198.4-175.9-50.2-177.1000111.1Y61 V103 V106 S107 T114 R115 Y118Y61-L109 HydrophobicContact CD1-CD2 4.47Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE1-CD2 4.31Å; Y61-L109 HydrophobicContact CE2-CD2 3.62Å; Y61-L109 HydrophobicContact CG-CD2 4.25Å; V103-L109 HydrophobicContact CG1-CD2 4.17Å; V103-L109 HydrophobicContact CG2-CD1 4.33Å; V103-L109 HydrophobicContact CG2-CD2 3.92Å; V103-L109 HydrophobicContact CG2-CG 4Å; V106-L109 HydrophobicContact CG2-CD1 4.37Å; V106-L109 PolarHBondContact O-N 3.5Å; S107-L109 VanDerWaalsContact C-N 3.32Å; L109-T114 HydrophobicContact CB-CG2 4.2Å; L109-T114 HydrophobicContact CD1-CG2 4.47Å; L109-T114 HydrophobicContact CD2-CG2 3.97Å; L109-T114 HydrophobicContact CG-CG2 4.43Å; L109-R115 HydrophobicContact CB-CG 3.81Å; L109-R115 HydrophobicContact CD1-CG 4.38Å; L109-R115 PolarHBondContact O-NH1 3.1Å; L109-Y118 HydrophobicContact CD1-CD1 4.1Å; L109-Y118 HydrophobicContact CD1-CD2 3.56Å; L109-Y118 HydrophobicContact CD1-CE2 4.08Å; L109-Y118 HydrophobicContact CD1-CG 3.56Å; L109-Y118 HydrophobicContact CD2-CD2 4.44Å
110Q92.2Very high93.7Very high136 Ų13635.2 Ų35.264%0.63618%0.175SC*.  trans-77.3-40.7-171.3-52.5-50-62.700112.6E58 S107 W108 R115E58-Q110 WeakPolarHBondContact OE1-CB 3.4Å; E58-Q110 PolarHBondContact OE1-N 2.89Å; E58-Q110 PolarHBondContact OE2-N 3.17Å; S107-Q110 PolarHBondContact O-NE2 2.87Å; W108-Q110 VanDerWaalsContact C-NE2 3.27Å; W108-Q110 PolarHBondContact O-N 3.41Å; W108-Q110 PolarHBondContact O-NE2 3.45Å; Q110-R115 VanDerWaalsContact C-NH1 3.33Å; Q110-R115 PolarHBondContact O-NH1 3.34Å
111Q93.9Very high93.8Very high38 Ų3835.2 Ų35.218%0.17817%0.174CC..SBendtrans-85.7140-177.2-176.2-177-0.400111.4E55 R57 E58 A113 T114 R115E55-Q111 PolarHBondContact O-NE2 3.31Å; R57-Q111 VanDerWaalsContact CG-OE1 3.29Å; E58-Q111 VanDerWaalsContact OE2-CB 3.28Å; E58-Q111 WeakPolarHBondContact OE2-CB 3.39Å; E58-Q111 PolarHBondContact OE2-N 3.47Å; Q111-A113 HydrophobicContact CG-CB 4.26Å; Q111-T114 VanDerWaalsContact O-CB 3.25Å; Q111-T114 WeakPolarHBondContact O-CB 3.39Å; Q111-T114 PolarHBondContact O-N 2.63Å; Q111-T114 VanDerWaalsContact O-N 3.14Å; Q111-R115 PolarHBondContact O-N 3.48Å; Q111-R115 VanDerWaalsContact O-N 3.09Å
112E92.6Very high93.8Very high83 Ų8334.5 Ų34.539%0.38817%0.171SC..Hα-helixtrans-59.5-49.9177.4-161.3158.282.600113.2T114 R115 Y116 Y752E112-T114 PolarHBondContact O-N 2.98Å; E112-R115 CarbonylContact O-C 3.59Å; E112-R115 WeakPolarHBondContact O-CA 3.35Å; E112-R115 WeakPolarHBondContact O-CB 3.23Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 IonicContact OE2-NH2 2.67Å; E112-Y116 PolarHBondContact O-N 3.15Å; E112-Y752 HydrophobicContact CG-CE1 3.76Å; E112-Y752 WeakPolarHBondContact CG-OH 3.36Å; E112-Y752 WeakPolarHBondContact OE1-CD1 3.45Å; E112-Y752 VanDerWaalsContact OE1-CE1 3.22Å; E112-Y752 WeakPolarHBondContact OE1-CE1 3.13Å; E112-Y752 VanDerWaalsContact OE2-CE1 3.25Å; E112-Y752 WeakPolarHBondContact OE2-CE1 3.39Å
113A93.6Very high93.9Very high28 Ų2834.8 Ų34.823%0.23117%0.173CC..Hα-helixtrans-57-32173.300000113.1L56 Q111 Q117L56-A113 HydrophobicContact CD2-CB 4Å; Q111-A113 HydrophobicContact CG-CB 4.26Å; A113-Q117 WeakPolarHBondContact O-CB 3.48Å; A113-Q117 VanDerWaalsContact O-CG 3.29Å; A113-Q117 WeakPolarHBondContact O-CG 3.37Å; A113-Q117 PolarHBondContact O-N 3.21Å
114T96.1Very high93.9Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-65.9-47172.4-52.70000110.6E58 Y61 F62 L109 Q111 E112 Q117 Y118E58-T114 HydrophobicContact CB-CG2 4.11Å; E58-T114 WeakPolarHBondContact OE2-CB 3.38Å; E58-T114 PolarHBondContact OE2-OG1 3.42Å; Y61-T114 HydrophobicContact CD2-CG2 4.13Å; F62-T114 HydrophobicContact CE2-CG2 3.97Å; F62-T114 HydrophobicContact CZ-CG2 4.01Å; L109-T114 HydrophobicContact CB-CG2 4.2Å; L109-T114 HydrophobicContact CD1-CG2 4.47Å; L109-T114 HydrophobicContact CD2-CG2 3.97Å; L109-T114 HydrophobicContact CG-CG2 4.43Å; Q111-T114 VanDerWaalsContact O-CB 3.25Å; Q111-T114 WeakPolarHBondContact O-CB 3.39Å; Q111-T114 PolarHBondContact O-N 2.63Å; Q111-T114 VanDerWaalsContact O-N 3.14Å; E112-T114 PolarHBondContact O-N 2.98Å; T114-Q117 PolarHBondContact O-N 2.99Å; T114-Y118 VanDerWaalsContact O-CB 3.31Å; T114-Y118 WeakPolarHBondContact O-CB 3.37Å; T114-Y118 PolarHBondContact O-N 2.96Å
115R96.1Very high94.2Very high49 Ų4936 Ų3619%0.18517%0.174CC..Hα-helixtrans-61.1-45.8176.1-68.6-172.4-64.1-85.91.6111.4V106 L109 Q110 Q111 E112 Q117 Y118 Y119 I206V106-R115 HydrophobicContact CG2-CG 4.36Å; L109-R115 HydrophobicContact CB-CG 3.81Å; L109-R115 HydrophobicContact CD1-CG 4.38Å; L109-R115 PolarHBondContact O-NH1 3.1Å; Q110-R115 VanDerWaalsContact C-NH1 3.33Å; Q110-R115 PolarHBondContact O-NH1 3.34Å; Q111-R115 PolarHBondContact O-N 3.48Å; Q111-R115 VanDerWaalsContact O-N 3.09Å; E112-R115 CarbonylContact O-C 3.59Å; E112-R115 WeakPolarHBondContact O-CA 3.35Å; E112-R115 WeakPolarHBondContact O-CB 3.23Å; E112-R115 PolarHBondContact O-N 3.39Å; E112-R115 IonicContact OE2-NH2 2.67Å; R115-Q117 PolarHBondContact O-N 3.17Å; R115-Y118 CarbonylContact O-C 3.25Å; R115-Y118 WeakPolarHBondContact O-CA 3.39Å; R115-Y118 WeakPolarHBondContact O-CB 3.38Å; R115-Y118 PolarHBondContact O-N 3.14Å; R115-Y118 VanDerWaalsContact O-N 3.11Å; R115-Y119 WeakPolarHBondContact O-CB 3.42Å; R115-Y119 PolarHBondContact O-N 3.42Å; R115-I206 HydrophobicContact CB-CD1 4.36Å; R115-I206 WeakPolarHBondContact O-CD1 3.4Å
116Y96.8Very high94.5Very high74 Ų7433.8 Ų33.829%0.2916%0.163SC..Hα-helixtrans-58.6-47.4177.1179.1-110.6000112.5E112 Y118 Y119 L120 E202E112-Y116 PolarHBondContact O-N 3.15Å; Y116-Y118 VanDerWaalsContact C-N 3.32Å; Y116-Y118 PolarHBondContact O-N 2.97Å; Y116-Y119 HydrophobicContact CD2-CD1 4.16Å; Y116-Y119 HydrophobicContact CE2-CD1 4.31Å; Y116-Y119 HydrophobicContact CE2-CE1 4.48Å; Y116-Y119 WeakPolarHBondContact O-CB 3.34Å; Y116-Y119 PolarHBondContact O-N 3.09Å; Y116-L120 HydrophobicContact CD1-CD1 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.59Å; Y116-L120 HydrophobicContact CE1-CG 4.31Å; Y116-L120 HydrophobicContact CE2-CD1 4.47Å; Y116-L120 HydrophobicContact CE2-CD2 4.44Å; Y116-L120 HydrophobicContact CE2-CG 4.37Å; Y116-L120 WeakPolarHBondContact O-CG 3.27Å; Y116-L120 PolarHBondContact O-N 2.92Å; Y116-E202 VanDerWaalsContact CA-OE2 3.23Å; Y116-E202 WeakPolarHBondContact CA-OE2 3.36Å; Y116-E202 WeakPolarHBondContact CB-OE2 3.33Å; Y116-E202 HydrophobicContact CD2-CG 4.46Å; Y116-E202 PolarHBondContact N-OE2 2.99Å
117Q97.1Very high94.6Very high8 Ų834.9 Ų34.94%0.03717%0.168CC..Hα-helixtrans-66.6-33.7175.8-67-67.1-43.800112.2L28 L56 F62 A113 T114 R115 Q121L28-Q117 HydrophobicContact CD1-CB 4.43Å; L28-Q117 VanDerWaalsContact CD1-O 3.25Å; L28-Q117 WeakPolarHBondContact CD1-O 3.47Å; L56-Q117 HydrophobicContact CD1-CG 4.34Å; L56-Q117 HydrophobicContact CD2-CG 4.21Å; F62-Q117 HydrophobicContact CE1-CB 3.74Å; F62-Q117 HydrophobicContact CZ-CB 3.83Å; A113-Q117 WeakPolarHBondContact O-CB 3.48Å; A113-Q117 VanDerWaalsContact O-CG 3.29Å; A113-Q117 WeakPolarHBondContact O-CG 3.37Å; A113-Q117 PolarHBondContact O-N 3.21Å; T114-Q117 PolarHBondContact O-N 2.99Å; R115-Q117 PolarHBondContact O-N 3.17Å; Q117-Q121 PolarHBondContact O-N 2.87Å; Q117-Q121 VanDerWaalsContact O-N 3.13Å
118Y97.1Very high94.6Very high1 Ų134.8 Ų34.80%0.00416%0.159CC..Hα-helixtrans-68.2-40.4173.5-155.7-81.9000111.7V99 Y102 V103 L109 T114 R115 Y116 Q121 V122 I206 F215V99-Y118 HydrophobicContact CG1-CD2 4.02Å; V99-Y118 HydrophobicContact CG1-CE2 3.71Å; V99-Y118 HydrophobicContact CG2-CD2 3.78Å; V99-Y118 HydrophobicContact CG2-CE2 4.28Å; V99-Y118 HydrophobicContact CG2-CG 4.29Å; Y102-Y118 VanDerWaalsContact CA-OH 3.31Å; Y102-Y118 WeakPolarHBondContact CA-OH 3.48Å; Y102-Y118 WeakPolarHBondContact CB-OH 3.43Å; Y102-Y118 HydrophobicContact CD1-CE1 4.46Å; Y102-Y118 AromaticContact CD1-CZ 3.91Å; Y102-Y118 WeakPolarHBondContact CD1-OH 3.45Å; V103-Y118 HydrophobicContact CG2-CE2 4.19Å; V103-Y118 PolarHBondContact N-OH 3.42Å; L109-Y118 HydrophobicContact CD1-CD1 4.1Å; L109-Y118 HydrophobicContact CD1-CD2 3.56Å; L109-Y118 HydrophobicContact CD1-CE2 4.08Å; L109-Y118 HydrophobicContact CD1-CG 3.56Å; L109-Y118 HydrophobicContact CD2-CD2 4.44Å; T114-Y118 VanDerWaalsContact O-CB 3.31Å; T114-Y118 WeakPolarHBondContact O-CB 3.37Å; T114-Y118 PolarHBondContact O-N 2.96Å; R115-Y118 CarbonylContact O-C 3.25Å; R115-Y118 WeakPolarHBondContact O-CA 3.39Å; R115-Y118 WeakPolarHBondContact O-CB 3.38Å; R115-Y118 PolarHBondContact O-N 3.14Å; R115-Y118 VanDerWaalsContact O-N 3.11Å; Y116-Y118 VanDerWaalsContact C-N 3.32Å; Y116-Y118 PolarHBondContact O-N 2.97Å; Y118-Q121 WeakPolarHBondContact O-CB 2.99Å; Y118-Q121 PolarHBondContact O-N 2.95Å; Y118-V122 HydrophobicContact CD1-CG1 3.94Å; Y118-V122 HydrophobicContact CE1-CG1 3.89Å; Y118-V122 WeakPolarHBondContact O-CG2 3.3Å; Y118-V122 PolarHBondContact O-N 3.48Å; Y118-I206 HydrophobicContact CD1-CD1 4.3Å; Y118-I206 HydrophobicContact CD1-CG1 4.35Å; Y118-I206 HydrophobicContact CD1-CG2 4Å; Y118-I206 HydrophobicContact CE1-CG2 4.07Å; Y118-F215 HydrophobicContact CE1-CE2 4.25Å; Y118-F215 HydrophobicContact CE1-CZ 4.02Å
119Y97.7Very high94.5Very high0 Ų031.5 Ų31.50%016%0.155CC..Hα-helixtrans-56.8-51.7171.7157.8-107.3000110.9R115 Y116 Q121 V122 K123 A145 A148 D149 E202 Y205R115-Y119 WeakPolarHBondContact O-CB 3.42Å; R115-Y119 PolarHBondContact O-N 3.42Å; Y116-Y119 HydrophobicContact CD2-CD1 4.16Å; Y116-Y119 HydrophobicContact CE2-CD1 4.31Å; Y116-Y119 HydrophobicContact CE2-CE1 4.48Å; Y116-Y119 WeakPolarHBondContact O-CB 3.34Å; Y116-Y119 PolarHBondContact O-N 3.09Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Y119-Q121 PolarHBondContact O-N 3.08Å; Y119-V122 WeakPolarHBondContact O-CG2 3.3Å; Y119-V122 PolarHBondContact O-N 3.48Å; Y119-K123 HydrophobicContact CE1-CD 4.17Å; Y119-K123 HydrophobicContact CE2-CB 4.39Å; Y119-K123 HydrophobicContact CE2-CD 4.11Å; Y119-K123 WeakPolarHBondContact O-CB 3.49Å; Y119-K123 PolarHBondContact O-N 3.48Å; Y119-K123 PolarHBondContact OH-NZ 2.86Å; Y119-K123 VanDerWaalsContact OH-NZ 3.09Å; Y119-A145 WeakPolarHBondContact OH-CA 3.3Å; Y119-A145 PolarHBondContact OH-O 3.04Å; Y119-A148 HydrophobicContact CE1-CB 4.29Å; Y119-A148 HydrophobicContact CE2-CB 4.36Å; Y119-D149 PolarHBondContact OH-OD1 3.38Å; Y119-E202 HydrophobicContact CD1-CG 3.95Å; Y119-E202 HydrophobicContact CE1-CG 4.35Å; Y119-E202 HydrophobicContact CG-CB 4.27Å; Y119-E202 HydrophobicContact CG-CG 4.06Å; Y119-Y205 AromaticContact CD2-CD1 3.79Å; Y119-Y205 HydrophobicContact CD2-CD1 3.79Å; Y119-Y205 HydrophobicContact CD2-CD2 4.42Å; Y119-Y205 HydrophobicContact CD2-CE1 4.48Å; Y119-Y205 AromaticContact CD2-CG 3.78Å; Y119-Y205 HydrophobicContact CD2-CG 3.78Å; Y119-Y205 HydrophobicContact CE2-CD1 4.04Å; Y119-Y205 AromaticContact CE2-CD2 3.9Å; Y119-Y205 HydrophobicContact CE2-CD2 3.9Å; Y119-Y205 HydrophobicContact CE2-CE2 4.4Å; Y119-Y205 AromaticContact CE2-CG 3.72Å; Y119-Y205 HydrophobicContact CE2-CG 3.72Å
120L97.2Very high94.3Very high14 Ų1437.2 Ų37.27%0.07318%0.176CC..Hα-helixtrans-58.7-40177.8-68176.1000112.5L28 D29 Y116 K124L28-L120 HydrophobicContact CB-CB 3.77Å; L28-L120 HydrophobicContact CB-CD1 4.22Å; D29-L120 HydrophobicContact CB-CD1 4.07Å; Y116-L120 HydrophobicContact CD1-CD1 4.14Å; Y116-L120 HydrophobicContact CE1-CD1 3.59Å; Y116-L120 HydrophobicContact CE1-CG 4.31Å; Y116-L120 HydrophobicContact CE2-CD1 4.47Å; Y116-L120 HydrophobicContact CE2-CD2 4.44Å; Y116-L120 HydrophobicContact CE2-CG 4.37Å; Y116-L120 WeakPolarHBondContact O-CG 3.27Å; Y116-L120 PolarHBondContact O-N 2.92Å; L120-K124 VanDerWaalsContact O-CB 3.25Å; L120-K124 WeakPolarHBondContact O-CB 3.46Å; L120-K124 PolarHBondContact O-N 2.96Å
121Q96.9Very high94.2Very high11 Ų1131.1 Ų31.15%0.05115%0.148CC..Hα-helixtrans-61.9-52.6173.3174.17365.900111.9L28 G98 V99 Y102 Q117 Y118 Y119 K123 K124 D125L28-Q121 HydrophobicContact CD1-CB 4.02Å; L28-Q121 HydrophobicContact CD2-CB 4.23Å; G98-Q121 VanDerWaalsContact CA-OE1 3.31Å; V99-Q121 HydrophobicContact CB-CB 4.48Å; V99-Q121 HydrophobicContact CB-CG 3.9Å; V99-Q121 HydrophobicContact CG2-CB 3.75Å; V99-Q121 HydrophobicContact CG2-CG 3.71Å; Y102-Q121 HydrophobicContact CE1-CG 4.46Å; Y102-Q121 WeakPolarHBondContact OH-CG 3.43Å; Y102-Q121 PolarHBondContact OH-NE2 2.99Å; Q117-Q121 PolarHBondContact O-N 2.87Å; Q117-Q121 VanDerWaalsContact O-N 3.13Å; Y118-Q121 WeakPolarHBondContact O-CB 2.99Å; Y118-Q121 PolarHBondContact O-N 2.95Å; Y119-Q121 VanDerWaalsContact C-N 3.3Å; Y119-Q121 PolarHBondContact O-N 3.08Å; Q121-K123 VanDerWaalsContact C-N 3.34Å; Q121-K123 PolarHBondContact O-N 3.28Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 2.82Å; Q121-D125 VanDerWaalsContact NE2-CG 3.28Å; Q121-D125 PolarHBondContact NE2-OD1 2.91Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.09Å; Q121-D125 PolarHBondContact NE2-OD2 3.42Å; Q121-D125 VanDerWaalsContact O-CG 3.27Å; Q121-D125 PolarHBondContact O-N 3.03Å
122V95.9Very high93.7Very high0 Ų039.2 Ų39.20%018%0.177CC..Hα-helixtrans-70.4-32.9-175.2-61.70000112.2Y102 Y118 Y119 D125 V126 Y205 I206 V209 F215Y102-V122 HydrophobicContact CE1-CG1 4.37Å; Y118-V122 HydrophobicContact CD1-CG1 3.94Å; Y118-V122 HydrophobicContact CE1-CG1 3.89Å; Y118-V122 WeakPolarHBondContact O-CG2 3.3Å; Y118-V122 PolarHBondContact O-N 3.48Å; Y119-V122 WeakPolarHBondContact O-CG2 3.3Å; Y119-V122 PolarHBondContact O-N 3.48Å; V122-D125 PolarHBondContact O-N 3.13Å; V122-V126 WeakPolarHBondContact O-CG2 3.29Å; V122-V126 PolarHBondContact O-N 2.7Å; V122-Y205 HydrophobicContact CG2-CD1 3.86Å; V122-Y205 HydrophobicContact CG2-CE1 3.89Å; V122-I206 HydrophobicContact CG2-CG1 4.15Å; V122-V209 HydrophobicContact CB-CB 4.41Å; V122-V209 HydrophobicContact CB-CG1 3.82Å; V122-V209 HydrophobicContact CG1-CG1 4.25Å; V122-V209 HydrophobicContact CG2-CB 4.45Å; V122-V209 HydrophobicContact CG2-CG1 4.38Å; V122-F215 HydrophobicContact CG1-CE2 3.93Å
123K95.7Very high93.6Very high20 Ų2036.8 Ų36.89%0.08717%0.169CC..Hα-helixtrans-59.8-47170.3178.7-174.6-174.5174.80111.4Y119 Q121 D125 V126 L127 D149 Y165 Y205Y119-K123 HydrophobicContact CE1-CD 4.17Å; Y119-K123 HydrophobicContact CE2-CB 4.39Å; Y119-K123 HydrophobicContact CE2-CD 4.11Å; Y119-K123 WeakPolarHBondContact O-CB 3.49Å; Y119-K123 PolarHBondContact O-N 3.48Å; Y119-K123 PolarHBondContact OH-NZ 2.86Å; Y119-K123 VanDerWaalsContact OH-NZ 3.09Å; Q121-K123 VanDerWaalsContact C-N 3.34Å; Q121-K123 PolarHBondContact O-N 3.28Å; K123-D125 VanDerWaalsContact C-N 3.35Å; K123-V126 PolarHBondContact O-N 2.88Å; K123-L127 HydrophobicContact CG-CD1 4.3Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 2.91Å; K123-D149 IonicContact NZ-OD1 3.4Å; K123-D149 PolarHBondContact NZ-OD1 3.42Å; K123-D149 IonicContact NZ-OD2 3.19Å; K123-D149 PolarHBondContact NZ-OD2 2.67Å; K123-Y165 VanDerWaalsContact CE-OH 3.26Å; K123-Y165 WeakPolarHBondContact CE-OH 3.45Å; K123-Y165 PolarHBondContact NZ-OH 2.96Å; K123-Y205 WeakPolarHBondContact CA-OH 3.49Å; K123-Y205 HydrophobicContact CB-CE1 4.02Å
124K94.1Very high93.5Very high59 Ų5939 Ų3926%0.25718%0.18SC..Hα-helixtrans-60.8-43.2173.7-179.5-176.2172.1-172.70111.7L120 Q121 V126 L127 E128L120-K124 VanDerWaalsContact O-CB 3.25Å; L120-K124 WeakPolarHBondContact O-CB 3.46Å; L120-K124 PolarHBondContact O-N 2.96Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 2.82Å; K124-V126 VanDerWaalsContact C-N 3.3Å; K124-V126 PolarHBondContact O-N 3.48Å; K124-L127 PolarHBondContact O-N 3.25Å; K124-E128 WeakPolarHBondContact CE-OE1 3.44Å; K124-E128 WeakPolarHBondContact CE-OE2 3.15Å; K124-E128 HydrophobicContact CG-CG 4.18Å; K124-E128 IonicContact NZ-OE1 3.57Å; K124-E128 PolarHBondContact NZ-OE1 3.49Å; K124-E128 IonicContact NZ-OE2 2.69Å; K124-E128 WeakPolarHBondContact O-CB 3.49Å; K124-E128 PolarHBondContact O-N 3.48Å
125D93.2Very high93.2Very high4 Ų442.7 Ų42.72%0.02120%0.199CC..Hα-helixtrans-68.1-28-179.6-67-34.2000113.3Y102 Q121 V122 K123 R130 L131Y102-D125 PolarHBondContact OH-OD2 3.1Å; Y102-D125 VanDerWaalsContact OH-OD2 3.08Å; Q121-D125 VanDerWaalsContact NE2-CG 3.28Å; Q121-D125 PolarHBondContact NE2-OD1 2.91Å; Q121-D125 VanDerWaalsContact NE2-OD1 3.09Å; Q121-D125 PolarHBondContact NE2-OD2 3.42Å; Q121-D125 VanDerWaalsContact O-CG 3.27Å; Q121-D125 PolarHBondContact O-N 3.03Å; V122-D125 PolarHBondContact O-N 3.13Å; K123-D125 VanDerWaalsContact C-N 3.35Å; D125-R130 HydrophobicContact CB-CB 4.33Å; D125-R130 VanDerWaalsContact CG-NH1 3.29Å; D125-R130 WeakPolarHBondContact O-CA 3.19Å; D125-R130 VanDerWaalsContact O-CB 3.31Å; D125-R130 WeakPolarHBondContact O-CB 3.25Å; D125-R130 PolarHBondContact O-N 2.92Å; D125-R130 WeakPolarHBondContact OD1-CD 3.33Å; D125-R130 IonicContact OD1-CZ 2.7Å; D125-R130 IonicContact OD1-NE 3.5Å; D125-R130 IonicContact OD1-NH1 3.08Å; D125-R130 PolarHBondContact OD1-NH1 3.2Å; D125-R130 IonicContact OD2-NH1 3.97Å; D125-L131 HydrophobicContact CB-CD1 3.7Å; D125-L131 HydrophobicContact CB-CG 3.93Å; D125-L131 PolarHBondContact O-N 2.87Å; D125-L131 VanDerWaalsContact O-N 3.11Å
126V94.3Very high92.9Very high3 Ų345.3 Ų45.32%0.01822%0.216CC..Hα-helixtrans-68.8-53.1166.3171.50000110.4V122 K123 K124 E128 G129 L131 L141 P169 V209V122-V126 WeakPolarHBondContact O-CG2 3.29Å; V122-V126 PolarHBondContact O-N 2.7Å; K123-V126 PolarHBondContact O-N 2.88Å; K124-V126 VanDerWaalsContact C-N 3.3Å; K124-V126 PolarHBondContact O-N 3.48Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 3.28Å; V126-G129 PolarHBondContact O-N 3.21Å; V126-L131 HydrophobicContact CG2-CB 4.19Å; V126-L131 HydrophobicContact CG2-CD1 4.11Å; V126-L141 HydrophobicContact CG1-CD1 4.43Å; V126-L141 HydrophobicContact CG2-CD1 4.2Å; V126-P169 HydrophobicContact CG1-CG 4.08Å; V126-P169 WeakPolarHBondContact O-CG 3.41Å; V126-V209 HydrophobicContact CG2-CG2 4.05Å
127L92.5Very high92.8Very high29 Ų2943.9 Ų43.915%0.15221%0.212CC..Hα-helixtrans-66.2-30.6-175.3-67.3177000113.9K123 K124 G129 V166 P169 M170K123-L127 HydrophobicContact CG-CD1 4.3Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; K123-L127 PolarHBondContact O-N 2.91Å; K124-L127 PolarHBondContact O-N 3.25Å; L127-G129 PolarHBondContact O-N 2.76Å; L127-V166 HydrophobicContact CD1-CG1 4.21Å; L127-V166 HydrophobicContact CD2-CG1 4.29Å; L127-P169 WeakPolarHBondContact O-CA 3.35Å; L127-M170 WeakPolarHBondContact O-CG 3.49Å; L127-M170 PolarHBondContact O-N 3.04Å
128E90.4Very high92.6Very high76 Ų7643.7 Ų43.736%0.35521%0.212SC..THydrogen-bonded Turntrans-79.47.4171.8-70.5-173.8159.300113.3K124 V126 R130 M170K124-E128 WeakPolarHBondContact CE-OE1 3.44Å; K124-E128 WeakPolarHBondContact CE-OE2 3.15Å; K124-E128 HydrophobicContact CG-CG 4.18Å; K124-E128 IonicContact NZ-OE1 3.57Å; K124-E128 PolarHBondContact NZ-OE1 3.49Å; K124-E128 IonicContact NZ-OE2 2.69Å; K124-E128 WeakPolarHBondContact O-CB 3.49Å; K124-E128 PolarHBondContact O-N 3.48Å; V126-E128 VanDerWaalsContact C-N 3.34Å; V126-E128 PolarHBondContact O-N 3.28Å; E128-R130 HydrophobicContact CB-CG 4.04Å; E128-R130 PolarHBondContact O-N 3.34Å; E128-M170 HydrophobicContact CG-CE 3.94Å
129G88.3Confident92.5Very high26 Ų2644.2 Ų44.227%0.26821%0.214SC..THydrogen-bonded Turntrans68.910.6178.400000114.6V126 L127 L131V126-G129 PolarHBondContact O-N 3.21Å; L127-G129 PolarHBondContact O-N 2.76Å; G129-L131 VanDerWaalsContact C-N 3.32Å
130R88.3Confident92.4Very high122 Ų12248.2 Ų48.246%0.4623%0.229SC..  trans-72.5-27.9-178.5-55.8-175.762-133.4-11.8112D125 E128D125-R130 HydrophobicContact CB-CB 4.33Å; D125-R130 VanDerWaalsContact CG-NH1 3.29Å; D125-R130 WeakPolarHBondContact O-CA 3.19Å; D125-R130 VanDerWaalsContact O-CB 3.31Å; D125-R130 WeakPolarHBondContact O-CB 3.25Å; D125-R130 PolarHBondContact O-N 2.92Å; D125-R130 WeakPolarHBondContact OD1-CD 3.33Å; D125-R130 IonicContact OD1-CZ 2.7Å; D125-R130 IonicContact OD1-NE 3.5Å; D125-R130 IonicContact OD1-NH1 3.08Å; D125-R130 PolarHBondContact OD1-NH1 3.2Å; D125-R130 IonicContact OD2-NH1 3.97Å; E128-R130 HydrophobicContact CB-CG 4.04Å; E128-R130 PolarHBondContact O-N 3.34Å
131L90.4Very high92.4Very high9 Ų947.6 Ų47.65%0.04723%0.226CC..SBendtrans-110.7117.1178.3-61.5177000110.1D125 V126 G129 C133 V209 L212 G214D125-L131 HydrophobicContact CB-CD1 3.7Å; D125-L131 HydrophobicContact CB-CG 3.93Å; D125-L131 PolarHBondContact O-N 2.87Å; D125-L131 VanDerWaalsContact O-N 3.11Å; V126-L131 HydrophobicContact CG2-CB 4.19Å; V126-L131 HydrophobicContact CG2-CD1 4.11Å; G129-L131 VanDerWaalsContact C-N 3.32Å; L131-C133 PolarHBondContact O-N 3.38Å; L131-C133 PolarHBondContact O-SG 3.33Å; L131-C133 VanDerWaalsContact O-SG 3.39Å; L131-V209 HydrophobicContact CD1-CG1 3.52Å; L131-L212 HydrophobicContact CB-CD1 4.24Å; L131-G214 WeakPolarHBondContact CD2-O 3.41Å
132R84.4Confident92.3Very high207 Ų20747.3 Ų47.378%0.78123%0.226SC*.  trans-77.8113.8-174.5-69.4-178.5174.7-166.9-5.6110.5
133C89Confident92.3Very high33 Ų3347.3 Ų47.322%0.22323%0.226CC..  trans-112.3147.3180-57.30000110.2L131 Q137 V138 L212L131-C133 PolarHBondContact O-N 3.38Å; L131-C133 PolarHBondContact O-SG 3.33Å; L131-C133 VanDerWaalsContact O-SG 3.39Å; C133-Q137 HydrophobicContact CB-CB 4.05Å; C133-V138 HydrophobicContact CB-CG2 3.44Å; C133-V138 VanDerWaalsContact CB-CG2 3.44Å; C133-L212 VanDerWaalsContact SG-CD1 3.56Å
134T91.4Very high92.4Very high75 Ų7546.8 Ų46.846%0.4622%0.224SC..  trans-72.4160.9159.870.50000110.1D136 Q137 V138T134-D136 VanDerWaalsContact C-N 3.25Å; T134-D136 PolarHBondContact O-N 2.98Å; T134-Q137 WeakPolarHBondContact O-CA 3.43Å; T134-Q137 WeakPolarHBondContact O-CB 3.4Å; T134-Q137 PolarHBondContact O-N 3.15Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.37Å; T134-Q137 PolarHBondContact OG1-N 3.44Å; T134-V138 WeakPolarHBondContact O-CG2 3.02Å; T134-V138 PolarHBondContact O-N 3.26Å
135L89.8Confident92.5Very high77 Ų7744.2 Ų44.240%0.40321%0.214SC..Hα-helixtrans-55.7-41.2178.5-171.558.3000112Q137 V138 I139 L182L135-Q137 PolarHBondContact O-N 3.21Å; L135-V138 PolarHBondContact O-N 2.96Å; L135-I139 HydrophobicContact CG-CD1 4.19Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.33Å; L135-L182 HydrophobicContact CD1-CD1 4.09Å; L135-L182 HydrophobicContact CD1-CD2 3.87Å; L135-L182 HydrophobicContact CD2-CD2 4.05Å; L135-L182 HydrophobicContact CG-CD2 4.06Å
136D91.6Very high92.6Very high103 Ų10344 Ų4455%0.55121%0.212SC*.Hα-helixtrans-66.4-35176.8-44-52.6000112.7T134 R140T134-D136 VanDerWaalsContact C-N 3.25Å; T134-D136 PolarHBondContact O-N 2.98Å; D136-R140 WeakPolarHBondContact O-CG 3.05Å; D136-R140 PolarHBondContact O-N 3.11Å; D136-R140 VanDerWaalsContact O-N 3.11Å; D136-R140 PolarHBondContact O-NH1 2.74Å; D136-R140 VanDerWaalsContact O-NH1 3.11Å
137Q93.7Very high92.7Very high44 Ų4443.9 Ų43.921%0.20621%0.212CC..Hα-helixtrans-66-43.4172.7-75.8172.9-38.800110.7C133 T134 L135 I139 R140 L141C133-Q137 HydrophobicContact CB-CB 4.05Å; T134-Q137 WeakPolarHBondContact O-CA 3.43Å; T134-Q137 WeakPolarHBondContact O-CB 3.4Å; T134-Q137 PolarHBondContact O-N 3.15Å; T134-Q137 WeakPolarHBondContact OG1-CG 3.37Å; T134-Q137 PolarHBondContact OG1-N 3.44Å; L135-Q137 PolarHBondContact O-N 3.21Å; Q137-I139 PolarHBondContact O-N 2.93Å; Q137-R140 PolarHBondContact O-N 3.05Å; Q137-L141 VanDerWaalsContact O-CB 3.29Å; Q137-L141 WeakPolarHBondContact O-CB 3.35Å; Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.5Å
138V93.1Very high92.8Very high4 Ų443 Ų432%0.02421%0.209CC..Hα-helixtrans-60.5-45.3175.6178.80000110.9C133 T134 L135 R140 L141 A142 F168 P169 L172C133-V138 HydrophobicContact CB-CG2 3.44Å; C133-V138 VanDerWaalsContact CB-CG2 3.44Å; T134-V138 WeakPolarHBondContact O-CG2 3.02Å; T134-V138 PolarHBondContact O-N 3.26Å; L135-V138 PolarHBondContact O-N 2.96Å; V138-R140 PolarHBondContact O-N 3.28Å; V138-L141 PolarHBondContact O-N 2.88Å; V138-A142 WeakPolarHBondContact O-CB 3.34Å; V138-A142 PolarHBondContact O-N 3.11Å; V138-F168 HydrophobicContact CG1-CD1 3.68Å; V138-F168 HydrophobicContact CG1-CE1 4.36Å; V138-P169 VanDerWaalsContact CG1-CD 3.48Å; V138-P169 HydrophobicContact CG1-CG 4.32Å; V138-P169 HydrophobicContact CG2-CG 4.08Å; V138-L172 HydrophobicContact CG1-CD1 4.38Å; V138-L172 HydrophobicContact CG2-CD1 4.36Å
139I94.6Very high92.8Very high12 Ų1241.9 Ų41.96%0.06221%0.205CC..Hα-helixtrans-61.4-45.3179.8-65.6162.4000111.3L135 Q137 A142 G143 L182 K185 V186 E189L135-I139 HydrophobicContact CG-CD1 4.19Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.37Å; L135-I139 PolarHBondContact O-N 3.33Å; Q137-I139 PolarHBondContact O-N 2.93Å; I139-A142 PolarHBondContact O-N 3.47Å; I139-G143 PolarHBondContact O-N 3.35Å; I139-L182 HydrophobicContact CD1-CD2 3.72Å; I139-L182 HydrophobicContact CG1-CD2 4.2Å; I139-K185 HydrophobicContact CD1-CB 4.32Å; I139-K185 HydrophobicContact CD1-CD 4.08Å; I139-K185 HydrophobicContact CG2-CB 3.9Å; I139-V186 HydrophobicContact CG2-CG2 4.22Å; I139-E189 HydrophobicContact CG2-CG 3.86Å
140R95.4Very high93Very high84 Ų8442 Ų4232%0.31720%0.198SC..Hα-helixtrans-65.1-45.1176-71-167.5-53.2-80.76.5112.8D136 Q137 V138 A142 G143 L144 E189 E208D136-R140 WeakPolarHBondContact O-CG 3.05Å; D136-R140 PolarHBondContact O-N 3.11Å; D136-R140 VanDerWaalsContact O-N 3.11Å; D136-R140 PolarHBondContact O-NH1 2.74Å; D136-R140 VanDerWaalsContact O-NH1 3.11Å; Q137-R140 PolarHBondContact O-N 3.05Å; V138-R140 PolarHBondContact O-N 3.28Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.36Å; R140-G143 PolarHBondContact O-N 3.35Å; R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 2.93Å; R140-E189 HydrophobicContact CG-CG 4.47Å; R140-E208 IonicContact CZ-OE1 3.57Å; R140-E208 IonicContact NE-OE1 3.21Å; R140-E208 PolarHBondContact NE-OE1 2.83Å; R140-E208 IonicContact NH2-OE1 3.64Å; R140-E208 PolarHBondContact NH2-OE1 3.18Å
141L96.6Very high93Very high1 Ų136.3 Ų36.31%0.00518%0.178CC..Hα-helixtrans-61.6-43.6177-72.6172.2000110.8V126 Q137 V138 L144 A145 Y205 E208 V209 L212V126-L141 HydrophobicContact CG1-CD1 4.43Å; V126-L141 HydrophobicContact CG2-CD1 4.2Å; Q137-L141 VanDerWaalsContact O-CB 3.29Å; Q137-L141 WeakPolarHBondContact O-CB 3.35Å; Q137-L141 WeakPolarHBondContact O-CG 3.27Å; Q137-L141 PolarHBondContact O-N 3.5Å; V138-L141 PolarHBondContact O-N 2.88Å; L141-L144 PolarHBondContact O-N 3.32Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 2.95Å; L141-Y205 HydrophobicContact CB-CD2 4.31Å; L141-Y205 HydrophobicContact CB-CE2 3.66Å; L141-Y205 HydrophobicContact CD2-CD1 4.26Å; L141-Y205 HydrophobicContact CD2-CD2 3.86Å; L141-Y205 HydrophobicContact CD2-CE1 4.2Å; L141-Y205 HydrophobicContact CD2-CE2 3.81Å; L141-Y205 HydrophobicContact CD2-CG 4.07Å; L141-Y205 HydrophobicContact CG-CE2 4.31Å; L141-Y205 WeakPolarHBondContact O-CD2 3.29Å; L141-Y205 WeakPolarHBondContact O-CE2 3.49Å; L141-E208 HydrophobicContact CD2-CB 3.95Å; L141-E208 HydrophobicContact CD2-CG 3.98Å; L141-E208 HydrophobicContact CG-CG 4.43Å; L141-V209 HydrophobicContact CD1-CG2 3.98Å; L141-V209 HydrophobicContact CD2-CG2 3.61Å; L141-V209 HydrophobicContact CG-CG2 4.48Å; L141-L212 HydrophobicContact CD1-CD1 4.44Å
142A95.9Very high93Very high6 Ų638.5 Ų38.55%0.0519%0.19CC..Hα-helixtrans-59.9-45.5173.900000111.7V138 I139 R140 L144 A145 V146 L167 V186V138-A142 WeakPolarHBondContact O-CB 3.34Å; V138-A142 PolarHBondContact O-N 3.11Å; I139-A142 PolarHBondContact O-N 3.47Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 3.36Å; A142-L144 PolarHBondContact O-N 3.21Å; A142-A145 PolarHBondContact O-N 3.49Å; A142-V146 WeakPolarHBondContact O-CG2 3.16Å; A142-V146 PolarHBondContact O-N 2.95Å; A142-L167 HydrophobicContact CB-CB 4.47Å; A142-L167 HydrophobicContact CB-CD2 4.25Å; A142-V186 HydrophobicContact CB-CB 4.44Å; A142-V186 HydrophobicContact CB-CG1 3.93Å; A142-V186 HydrophobicContact CB-CG2 3.6Å
143G96.2Very high93.1Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-58.3-46.1174.500000113.2I139 R140 V146 Q147I139-G143 PolarHBondContact O-N 3.35Å; R140-G143 PolarHBondContact O-N 3.35Å; G143-V146 PolarHBondContact O-N 3.02Å; G143-Q147 PolarHBondContact O-N 3.37Å
144L97.3Very high92.9Very high9 Ų935.6 Ų35.65%0.04718%0.184CC..Hα-helixtrans-63.1-40.5174.3-73.1170.7000112.3R140 L141 A142 V146 Q147 A148 M204 Y205R140-L144 WeakPolarHBondContact O-CG 3.32Å; R140-L144 PolarHBondContact O-N 2.93Å; L141-L144 PolarHBondContact O-N 3.32Å; A142-L144 PolarHBondContact O-N 3.21Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.34Å; L144-Q147 PolarHBondContact O-N 3.44Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.21Å; L144-M204 HydrophobicContact CD1-CB 4.12Å; L144-M204 HydrophobicContact CD2-CB 3.88Å; L144-M204 HydrophobicContact CD2-CE 4.06Å; L144-M204 HydrophobicContact CD2-SD 4.39Å; L144-Y205 HydrophobicContact CB-CD2 4.04Å
145A96.3Very high92.3Very high4 Ų437.2 Ų37.23%0.03319%0.186CC..Hα-helixtrans-69.4-29.617800000112.9Y119 L141 A142 D149 Y165 Y205Y119-A145 WeakPolarHBondContact OH-CA 3.3Å; Y119-A145 PolarHBondContact OH-O 3.04Å; L141-A145 WeakPolarHBondContact O-CB 3.32Å; L141-A145 PolarHBondContact O-N 2.95Å; A142-A145 PolarHBondContact O-N 3.49Å; A145-D149 WeakPolarHBondContact O-CB 3.46Å; A145-D149 PolarHBondContact O-N 3.39Å; A145-D149 VanDerWaalsContact O-N 3.07Å; A145-Y165 PolarHBondContact O-OH 2.87Å; A145-Y205 HydrophobicContact CB-CD2 4.11Å; A145-Y205 HydrophobicContact CB-CE2 3.83Å
146V95.4Very high91.8Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-71.6-44.8171.1178.40000110.3A142 G143 L144 A148 D149 F150 F161 L162 Y165 L167 V186 H190A142-V146 WeakPolarHBondContact O-CG2 3.16Å; A142-V146 PolarHBondContact O-N 2.95Å; G143-V146 PolarHBondContact O-N 3.02Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V146 PolarHBondContact O-N 3.34Å; V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 PolarHBondContact O-N 3.38Å; V146-D149 PolarHBondContact O-N 3.12Å; V146-F150 HydrophobicContact CG1-CB 4.41Å; V146-F150 HydrophobicContact CG1-CD2 3.97Å; V146-F150 WeakPolarHBondContact O-CB 3.29Å; V146-F150 PolarHBondContact O-N 3.31Å; V146-F161 HydrophobicContact CG1-CE2 4.13Å; V146-F161 HydrophobicContact CG1-CZ 4.23Å; V146-L162 HydrophobicContact CB-CD2 4.46Å; V146-L162 HydrophobicContact CG1-CD2 3.83Å; V146-L162 HydrophobicContact CG2-CD2 3.68Å; V146-Y165 HydrophobicContact CG2-CD1 4.08Å; V146-Y165 HydrophobicContact CG2-CE1 3.73Å; V146-L167 HydrophobicContact CG2-CD2 3.65Å; V146-V186 HydrophobicContact CG2-CG1 4.14Å; V146-H190 HydrophobicContact CB-CB 4.45Å; V146-H190 HydrophobicContact CG1-CB 4.33Å; V146-H190 WeakPolarHBondContact CG1-CE1 3.47Å; V146-H190 WeakPolarHBondContact CG1-ND1 3.44Å
147Q95.4Very high90.8Very high1 Ų140.5 Ų40.51%0.00520%0.201CC..Hα-helixtrans-60.7-37.1175.7-173.76825.100112.1G143 L144 G151 D152 H190 H193 I196 A201G143-Q147 PolarHBondContact O-N 3.37Å; L144-Q147 PolarHBondContact O-N 3.44Å; Q147-G151 WeakPolarHBondContact O-CA 3.27Å; Q147-G151 PolarHBondContact O-N 2.83Å; Q147-G151 VanDerWaalsContact O-N 3.08Å; Q147-G151 PolarHBondContact OE1-O 3.29Å; Q147-D152 PolarHBondContact NE2-OD1 3.11Å; Q147-H190 PolarHBondContact OE1-CD2 3.34Å; Q147-H190 PolarHBondContact OE1-NE2 3.03Å; Q147-H193 HydrophobicContact CB-CB 4.08Å; Q147-H193 VanDerWaalsContact CD-O 3.27Å; Q147-H193 HydrophobicContact CG-CB 3.97Å; Q147-H193 PolarHBondContact NE2-O 3.24Å; Q147-H193 PolarHBondContact OE1-O 3.35Å; Q147-I196 HydrophobicContact CG-CB 4.39Å; Q147-I196 PolarHBondContact NE2-O 3.49Å; Q147-A201 HydrophobicContact CB-CB 4.06Å; Q147-A201 HydrophobicContact CG-CB 3.97Å
148A94.9Very high90.2Very high10 Ų1041.1 Ų41.18%0.08321%0.21CC..Hα-helixtrans-69.1-48.1176.500000113.1Y119 L144 V146 A201 E202Y119-A148 HydrophobicContact CE1-CB 4.29Å; Y119-A148 HydrophobicContact CE2-CB 4.36Å; L144-A148 WeakPolarHBondContact O-CB 3.29Å; L144-A148 PolarHBondContact O-N 3.21Å; V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 PolarHBondContact O-N 3.38Å; A148-A201 HydrophobicContact CB-CB 3.97Å; A148-E202 HydrophobicContact CB-CG 4.2Å
149D91.7Very high89.7Confident53 Ų5342.5 Ų42.528%0.28322%0.217SC..Hα-helixtrans-79.1-31.4-175.9-76.636.3000113.5Y119 K123 A145 V146 Y165Y119-D149 PolarHBondContact OH-OD1 3.38Å; K123-D149 IonicContact NZ-OD1 3.4Å; K123-D149 PolarHBondContact NZ-OD1 3.42Å; K123-D149 IonicContact NZ-OD2 3.19Å; K123-D149 PolarHBondContact NZ-OD2 2.67Å; A145-D149 WeakPolarHBondContact O-CB 3.46Å; A145-D149 PolarHBondContact O-N 3.39Å; A145-D149 VanDerWaalsContact O-N 3.07Å; V146-D149 PolarHBondContact O-N 3.12Å; D149-Y165 PolarHBondContact OD2-OH 2.69Å; D149-Y165 VanDerWaalsContact OD2-OH 3.1Å
150F90.8Very high89.2Confident27 Ų2745.9 Ų45.912%0.11824%0.235CC..Hα-helixtrans-120.9-5.2-168.9-61.9-83.4000115V146 F156 F161 Y165V146-F150 HydrophobicContact CG1-CB 4.41Å; V146-F150 HydrophobicContact CG1-CD2 3.97Å; V146-F150 WeakPolarHBondContact O-CB 3.29Å; V146-F150 PolarHBondContact O-N 3.31Å; F150-F156 HydrophobicContact CB-CE2 4.11Å; F150-F156 HydrophobicContact CD1-CE2 4.42Å; F150-F161 HydrophobicContact CB-CE2 4.3Å; F150-F161 HydrophobicContact CD1-CD2 4.13Å; F150-F161 AromaticContact CD1-CE2 3.94Å; F150-F161 HydrophobicContact CD1-CE2 3.94Å; F150-F161 AromaticContact CD2-CE2 3.88Å; F150-F161 HydrophobicContact CD2-CE2 3.88Å; F150-F161 AromaticContact CE1-CD2 3.99Å; F150-F161 HydrophobicContact CE1-CD2 3.99Å; F150-F161 HydrophobicContact CE1-CE2 4.2Å; F150-F161 HydrophobicContact CE2-CD2 4.39Å; F150-F161 HydrophobicContact CE2-CE2 4.14Å; F150-F161 HydrophobicContact CG-CD2 4.4Å; F150-F161 AromaticContact CG-CE2 3.78Å; F150-F161 HydrophobicContact CG-CE2 3.78Å; F150-F161 HydrophobicContact CZ-CD2 4.12Å; F150-F161 HydrophobicContact CZ-CE2 4.29Å; F150-Y165 AromaticContact CE2-CD1 3.91Å; F150-Y165 HydrophobicContact CE2-CD1 3.91Å; F150-Y165 AromaticContact CE2-CD2 3.81Å; F150-Y165 HydrophobicContact CE2-CD2 3.81Å; F150-Y165 AromaticContact CE2-CE1 3.89Å; F150-Y165 HydrophobicContact CE2-CE1 3.89Å; F150-Y165 AromaticContact CE2-CE2 3.8Å; F150-Y165 HydrophobicContact CE2-CE2 3.8Å; F150-Y165 AromaticContact CE2-CG 3.88Å; F150-Y165 HydrophobicContact CE2-CG 3.88Å; F150-Y165 AromaticContact CE2-CZ 3.84Å; F150-Y165 AromaticContact CZ-CD2 3.92Å; F150-Y165 HydrophobicContact CZ-CD2 3.92Å; F150-Y165 HydrophobicContact CZ-CE2 4.23Å; F150-Y165 HydrophobicContact CZ-CG 4.13Å
151G89.6Confident88.7Confident4 Ų444 Ų444%0.04123%0.229CC..  trans71.6-155.5-175.400000112.9Q147 H190Q147-G151 WeakPolarHBondContact O-CA 3.27Å; Q147-G151 PolarHBondContact O-N 2.83Å; Q147-G151 VanDerWaalsContact O-N 3.08Å; Q147-G151 PolarHBondContact OE1-O 3.29Å; G151-H190 PolarHBondContact O-NE2 3.42Å
152D90.3Very high88.2Confident54 Ų5444 Ų4429%0.28923%0.229SC..  trans-65.5143.6-171.8-65.8-39.9000114.1Q147 N154 Q155 G195Q147-D152 PolarHBondContact NE2-OD1 3.11Å; D152-N154 PolarHBondContact O-N 3.09Å; D152-Q155 HydrophobicContact CB-CG 4.14Å; D152-Q155 VanDerWaalsContact N-NE2 3.15Å; D152-Q155 WeakPolarHBondContact O-CB 3.33Å; D152-Q155 WeakPolarHBondContact O-CG 3.5Å; D152-Q155 PolarHBondContact O-N 3.14Å; D152-G195 PolarHBondContact OD1-N 3.48Å
153Y87.2Confident87.6Confident54 Ų5451.3 Ų51.321%0.21226%0.256CS..G310 helixtrans-44.7-37175.6-177.1-90.7000115Q155 Q159 A187 H190 K191 S194Y153-Q155 VanDerWaalsContact C-N 3.32Å; Y153-Q155 PolarHBondContact O-N 3.24Å; Y153-Q159 HydrophobicContact CD2-CG 4.48Å; Y153-Q159 HydrophobicContact CE2-CG 3.63Å; Y153-Q159 PolarHBondContact O-NE2 3.14Å; Y153-A187 WeakPolarHBondContact CD2-O 3.29Å; Y153-A187 HydrophobicContact CE2-CB 4.2Å; Y153-A187 WeakPolarHBondContact CE2-O 3.35Å; Y153-H190 WeakPolarHBondContact CA-CE1 3.41Å; Y153-H190 HydrophobicContact CD2-CB 4.33Å; Y153-H190 AromaticContact CD2-ND1 3.63Å; Y153-H190 PolarHBondContact N-NE2 3.35Å; Y153-K191 HydrophobicContact CD1-CB 4.22Å; Y153-K191 HydrophobicContact CD1-CD 4.36Å; Y153-K191 HydrophobicContact CD1-CG 4.07Å; Y153-K191 HydrophobicContact CD2-CB 3.71Å; Y153-K191 HydrophobicContact CD2-CG 4.44Å; Y153-K191 HydrophobicContact CE1-CD 4.16Å; Y153-K191 HydrophobicContact CE1-CG 4.36Å; Y153-K191 HydrophobicContact CE2-CB 4.01Å; Y153-K191 HydrophobicContact CG-CB 3.82Å; Y153-K191 HydrophobicContact CG-CG 4.13Å; Y153-S194 VanDerWaalsContact CB-OG 3.26Å; Y153-S194 WeakPolarHBondContact CB-OG 3.34Å
154N83.6Confident86.9Confident125 Ų12558.5 Ų58.567%0.66829%0.289SS*.G310 helixtrans-85.87.8-176.9-51.8-68.3000114.3D152 F156D152-N154 PolarHBondContact O-N 3.09Å; N154-F156 VanDerWaalsContact C-N 3.3Å
155Q79.7Confident86.4Confident109 Ų10959.3 Ų59.351%0.50929%0.292SS..G310 helixtrans-78.5-11.5177.1-66.4-173.825.500113.7D152 Y153D152-Q155 HydrophobicContact CB-CG 4.14Å; D152-Q155 VanDerWaalsContact N-NE2 3.15Å; D152-Q155 WeakPolarHBondContact O-CB 3.33Å; D152-Q155 WeakPolarHBondContact O-CG 3.5Å; D152-Q155 PolarHBondContact O-N 3.14Å; Y153-Q155 VanDerWaalsContact C-N 3.32Å; Y153-Q155 PolarHBondContact O-N 3.24Å
156F77.9Confident86.1Confident63 Ų6361.5 Ų61.528%0.27630%0.304SS..SBendtrans-125.8138179-60.6-77000111F150 N154 S158 F161F150-F156 HydrophobicContact CB-CE2 4.11Å; F150-F156 HydrophobicContact CD1-CE2 4.42Å; N154-F156 VanDerWaalsContact C-N 3.3Å; F156-S158 WeakPolarHBondContact CB-O 3.34Å; F156-S158 PolarHBondContact O-N 2.92Å; F156-F161 HydrophobicContact CB-CD1 4.32Å; F156-F161 HydrophobicContact CB-CE1 4.12Å; F156-F161 HydrophobicContact CD2-CD1 4.41Å; F156-F161 AromaticContact CD2-CE1 3.88Å; F156-F161 HydrophobicContact CD2-CE1 3.88Å; F156-F161 HydrophobicContact CD2-CZ 4.15Å; F156-F161 HydrophobicContact CG-CD1 4.29Å; F156-F161 HydrophobicContact CG-CE1 4.11Å
157D71.7Confident85.8Confident186 Ų18662 Ų62100%0.99531%0.307SS*.SBendtrans-63.2-23.2-179.2-66.1-52.6000113.2
158S80.9Confident85.6Confident57 Ų5763 Ų6340%0.39931%0.311SS..  trans-144.8164.3171.284.40000111.8F156 D160F156-S158 WeakPolarHBondContact CB-O 3.34Å; F156-S158 PolarHBondContact O-N 2.92Å; S158-D160 VanDerWaalsContact CB-OD2 3.22Å; S158-D160 WeakPolarHBondContact CB-OD2 3.22Å; S158-D160 PolarHBondContact OG-N 3.47Å; S158-D160 PolarHBondContact OG-OD2 3.48Å
159Q82.9Confident85.4Confident34 Ų3463 Ų6316%0.15931%0.31CS..SBendtrans-94.613.1178.6-58.9-61.3-49.700112.7Y153 F161 L162Y153-Q159 HydrophobicContact CD2-CG 4.48Å; Y153-Q159 HydrophobicContact CE2-CG 3.63Å; Y153-Q159 PolarHBondContact O-NE2 3.14Å; Q159-F161 PolarHBondContact O-N 2.85Å; Q159-F161 VanDerWaalsContact O-N 3.16Å; Q159-L162 HydrophobicContact CB-CD1 4.05Å; Q159-L162 HydrophobicContact CB-CG 4.48Å; Q159-L162 WeakPolarHBondContact O-CB 3.19Å; Q159-L162 WeakPolarHBondContact O-CG 3.26Å; Q159-L162 PolarHBondContact O-N 3.43Å; Q159-L162 VanDerWaalsContact O-N 3.08Å
160D83.2Confident84.9Confident83 Ų8365.2 Ų65.244%0.44432%0.32SS..G310 helixtrans-62-25.4-176.5-68.8-71.8000112.9S158 L162 R163S158-D160 VanDerWaalsContact CB-OD2 3.22Å; S158-D160 WeakPolarHBondContact CB-OD2 3.22Å; S158-D160 PolarHBondContact OG-N 3.47Å; S158-D160 PolarHBondContact OG-OD2 3.48Å; D160-L162 PolarHBondContact O-N 3.44Å; D160-L162 VanDerWaalsContact O-N 3.15Å; D160-R163 WeakPolarHBondContact O-CB 3.31Å; D160-R163 PolarHBondContact O-N 2.95Å; D160-R163 IonicContact OD1-CZ 3.42Å; D160-R163 IonicContact OD1-NH1 2.87Å; D160-R163 PolarHBondContact OD1-NH1 3.4Å
161F84.6Confident84.4Confident43 Ų4369.4 Ų69.419%0.18934%0.344CS..G310 helixtrans-59-24.2175.474-88.3000113.2V146 F150 F156 Q159 R163 E164 Y165V146-F161 HydrophobicContact CG1-CE2 4.13Å; V146-F161 HydrophobicContact CG1-CZ 4.23Å; F150-F161 HydrophobicContact CB-CE2 4.3Å; F150-F161 HydrophobicContact CD1-CD2 4.13Å; F150-F161 AromaticContact CD1-CE2 3.94Å; F150-F161 HydrophobicContact CD1-CE2 3.94Å; F150-F161 AromaticContact CD2-CE2 3.88Å; F150-F161 HydrophobicContact CD2-CE2 3.88Å; F150-F161 AromaticContact CE1-CD2 3.99Å; F150-F161 HydrophobicContact CE1-CD2 3.99Å; F150-F161 HydrophobicContact CE1-CE2 4.2Å; F150-F161 HydrophobicContact CE2-CD2 4.39Å; F150-F161 HydrophobicContact CE2-CE2 4.14Å; F150-F161 HydrophobicContact CG-CD2 4.4Å; F150-F161 AromaticContact CG-CE2 3.78Å; F150-F161 HydrophobicContact CG-CE2 3.78Å; F150-F161 HydrophobicContact CZ-CD2 4.12Å; F150-F161 HydrophobicContact CZ-CE2 4.29Å; F156-F161 HydrophobicContact CB-CD1 4.32Å; F156-F161 HydrophobicContact CB-CE1 4.12Å; F156-F161 HydrophobicContact CD2-CD1 4.41Å; F156-F161 AromaticContact CD2-CE1 3.88Å; F156-F161 HydrophobicContact CD2-CE1 3.88Å; F156-F161 HydrophobicContact CD2-CZ 4.15Å; F156-F161 HydrophobicContact CG-CD1 4.29Å; F156-F161 HydrophobicContact CG-CE1 4.11Å; Q159-F161 PolarHBondContact O-N 2.85Å; Q159-F161 VanDerWaalsContact O-N 3.16Å; F161-R163 PolarHBondContact O-N 3.14Å; F161-E164 PolarHBondContact O-N 2.94Å; F161-E164 VanDerWaalsContact O-N 3.13Å; F161-Y165 PolarHBondContact O-N 3.22Å
162L87.7Confident84Confident3 Ų372 Ų722%0.01636%0.357CS..G310 helixtrans-63.6-24.8175.7-63.5-179.5000112.8V146 Q159 D160 E164 Y165 L167 T183 A187V146-L162 HydrophobicContact CB-CD2 4.46Å; V146-L162 HydrophobicContact CG1-CD2 3.83Å; V146-L162 HydrophobicContact CG2-CD2 3.68Å; Q159-L162 HydrophobicContact CB-CD1 4.05Å; Q159-L162 HydrophobicContact CB-CG 4.48Å; Q159-L162 WeakPolarHBondContact O-CB 3.19Å; Q159-L162 WeakPolarHBondContact O-CG 3.26Å; Q159-L162 PolarHBondContact O-N 3.43Å; Q159-L162 VanDerWaalsContact O-N 3.08Å; D160-L162 PolarHBondContact O-N 3.44Å; D160-L162 VanDerWaalsContact O-N 3.15Å; L162-E164 VanDerWaalsContact C-N 3.3Å; L162-E164 PolarHBondContact O-N 3.26Å; L162-Y165 PolarHBondContact O-N 3.41Å; L162-L167 HydrophobicContact CB-CD1 4.28Å; L162-T183 HydrophobicContact CB-CG2 3.7Å; L162-T183 HydrophobicContact CD1-CG2 4.33Å; L162-A187 HydrophobicContact CD1-CB 3.83Å
163R83.4Confident83Confident159 Ų15974.4 Ų74.460%0.638%0.384SS*.G310 helixtrans-72.4-20.4175.5-65.8179.9172.2139.1-11.8113.4D160 F161 E180D160-R163 WeakPolarHBondContact O-CB 3.31Å; D160-R163 PolarHBondContact O-N 2.95Å; D160-R163 IonicContact OD1-CZ 3.42Å; D160-R163 IonicContact OD1-NH1 2.87Å; D160-R163 PolarHBondContact OD1-NH1 3.4Å; F161-R163 PolarHBondContact O-N 3.14Å; R163-E180 IonicContact CZ-OE1 2.68Å; R163-E180 IonicContact NE-OE1 2.72Å; R163-E180 IonicContact NH2-OE1 3.84Å; R163-E180 PolarHBondContact NH2-OE1 3.04Å
164E81.6Confident82.5Confident151 Ų15174.6 Ų74.671%0.70639%0.388SS*.THydrogen-bonded Turntrans-97.3-6.5178-59.7-164.5146.300113F161 L162F161-E164 PolarHBondContact O-N 2.94Å; F161-E164 VanDerWaalsContact O-N 3.13Å; L162-E164 VanDerWaalsContact C-N 3.3Å; L162-E164 PolarHBondContact O-N 3.26Å
165Y86.5Confident82.3Confident26 Ų2675.8 Ų75.810%0.10239%0.39CS..SBendtrans-106.5143.3-173.5178.8-116.9000111.9K123 A145 V146 D149 F150 F161 L162 L167K123-Y165 VanDerWaalsContact CE-OH 3.26Å; K123-Y165 WeakPolarHBondContact CE-OH 3.45Å; K123-Y165 PolarHBondContact NZ-OH 2.96Å; A145-Y165 PolarHBondContact O-OH 2.87Å; V146-Y165 HydrophobicContact CG2-CD1 4.08Å; V146-Y165 HydrophobicContact CG2-CE1 3.73Å; D149-Y165 PolarHBondContact OD2-OH 2.69Å; D149-Y165 VanDerWaalsContact OD2-OH 3.1Å; F150-Y165 AromaticContact CE2-CD1 3.91Å; F150-Y165 HydrophobicContact CE2-CD1 3.91Å; F150-Y165 AromaticContact CE2-CD2 3.81Å; F150-Y165 HydrophobicContact CE2-CD2 3.81Å; F150-Y165 AromaticContact CE2-CE1 3.89Å; F150-Y165 HydrophobicContact CE2-CE1 3.89Å; F150-Y165 AromaticContact CE2-CE2 3.8Å; F150-Y165 HydrophobicContact CE2-CE2 3.8Å; F150-Y165 AromaticContact CE2-CG 3.88Å; F150-Y165 HydrophobicContact CE2-CG 3.88Å; F150-Y165 AromaticContact CE2-CZ 3.84Å; F150-Y165 AromaticContact CZ-CD2 3.92Å; F150-Y165 HydrophobicContact CZ-CD2 3.92Å; F150-Y165 HydrophobicContact CZ-CE2 4.23Å; F150-Y165 HydrophobicContact CZ-CG 4.13Å; F161-Y165 PolarHBondContact O-N 3.22Å; L162-Y165 PolarHBondContact O-N 3.41Å; Y165-L167 HydrophobicContact CD1-CD2 3.4Å; Y165-L167 VanDerWaalsContact CD1-CD2 3.4Å; Y165-L167 HydrophobicContact CD1-CG 4.1Å; Y165-L167 HydrophobicContact CE1-CD2 3.65Å; Y165-L167 PolarHBondContact O-N 3.46Å
166V88.8Confident82.3Confident49 Ų4978.9 Ų78.930%0.29740%0.404SS..  trans-83.888.4-172-173.30000110.4L127 A740L127-V166 HydrophobicContact CD1-CG1 4.21Å; L127-V166 HydrophobicContact CD2-CG1 4.29Å; V166-A740 HydrophobicContact CG2-CB 4.37Å
167L89.4Confident82.3Confident11 Ų1179.6 Ų79.66%0.05842%0.422CS..  trans-82.5-29.5-176.1-68.9-179.5000115.2A142 V146 L162 Y165 T183 V186A142-L167 HydrophobicContact CB-CB 4.47Å; A142-L167 HydrophobicContact CB-CD2 4.25Å; V146-L167 HydrophobicContact CG2-CD2 3.65Å; L162-L167 HydrophobicContact CB-CD1 4.28Å; Y165-L167 HydrophobicContact CD1-CD2 3.4Å; Y165-L167 VanDerWaalsContact CD1-CD2 3.4Å; Y165-L167 HydrophobicContact CD1-CG 4.1Å; Y165-L167 HydrophobicContact CE1-CD2 3.65Å; Y165-L167 PolarHBondContact O-N 3.46Å; L167-T183 HydrophobicContact CD1-CG2 4.03Å; L167-V186 HydrophobicContact CD1-CB 4.21Å; L167-V186 HydrophobicContact CD1-CG1 4.01Å; L167-V186 HydrophobicContact CD1-CG2 4.34Å; L167-V186 HydrophobicContact CD2-CG1 3.89Å
168F91.3Very high83Confident22 Ų2273.3 Ų73.310%0.09639%0.39CS..SBendtrans-124.4144-164.7-55.6-73.4000112.4V138 L172 L174 L179 L182 V186V138-F168 HydrophobicContact CG1-CD1 3.68Å; V138-F168 HydrophobicContact CG1-CE1 4.36Å; F168-L172 HydrophobicContact CB-CD1 4.36Å; F168-L174 HydrophobicContact CG-CD1 4.38Å; F168-L179 HydrophobicContact CD2-CD1 3.49Å; F168-L179 VanDerWaalsContact CD2-CD1 3.49Å; F168-L179 HydrophobicContact CE2-CD1 3.6Å; F168-L182 HydrophobicContact CE1-CB 3.98Å; F168-L182 HydrophobicContact CE2-CB 4.31Å; F168-L182 HydrophobicContact CZ-CB 3.63Å; F168-V186 HydrophobicContact CE1-CG2 3.96Å; F168-V186 HydrophobicContact CZ-CG2 3.77Å
169P90.1Very high83.2Confident9 Ų974 Ų746%0.05839%0.389CS..  trans-50.6143.2170.6-3033.7000115.1V126 L127 V138 D171 L172V126-P169 HydrophobicContact CG1-CG 4.08Å; V126-P169 WeakPolarHBondContact O-CG 3.41Å; L127-P169 WeakPolarHBondContact O-CA 3.35Å; V138-P169 VanDerWaalsContact CG1-CD 3.48Å; V138-P169 HydrophobicContact CG1-CG 4.32Å; V138-P169 HydrophobicContact CG2-CG 4.08Å; P169-D171 WeakPolarHBondContact CB-OD1 3.37Å; P169-D171 PolarHBondContact O-N 3.29Å; P169-L172 HydrophobicContact CB-CD1 4.36Å; P169-L172 HydrophobicContact CB-CG 4.41Å; P169-L172 HydrophobicContact CG-CD1 4.26Å; P169-L172 WeakPolarHBondContact O-CB 3.48Å; P169-L172 PolarHBondContact O-N 3.31Å; P169-L172 VanDerWaalsContact O-N 3.11Å
170M82.3Confident83.3Confident101 Ų10177.4 Ų77.450%0.49841%0.405SS..THydrogen-bonded Turntrans-67.8-17.6-174.8-63.8172.5-141.500114.7L127 E128 L737L127-M170 WeakPolarHBondContact O-CG 3.49Å; L127-M170 PolarHBondContact O-N 3.04Å; E128-M170 HydrophobicContact CG-CE 3.94Å; M170-L737 HydrophobicContact CE-CD1 3.43Å; M170-L737 VanDerWaalsContact CE-CD1 3.43Å; M170-L737 HydrophobicContact CE-CD2 4.38Å; M170-L737 HydrophobicContact SD-CD1 3.78Å; M170-L737 HydrophobicContact SD-CD2 4.16Å; M170-L737 HydrophobicContact SD-CG 4.49Å
171D79.6Confident83.6Confident114 Ų11478 Ų7861%0.6141%0.405SS*.THydrogen-bonded Turntrans-83.5-12.1175.261.8-43.8000113.3P169 A173P169-D171 WeakPolarHBondContact CB-OD1 3.37Å; P169-D171 PolarHBondContact O-N 3.29Å; D171-A173 PolarHBondContact O-N 3.41Å
172L80.9Confident84Confident60 Ų6076.1 Ų76.131%0.31440%0.397SS..  trans-78.882.8170.5-66.1175.1000110.7V138 F168 P169 L174V138-L172 HydrophobicContact CG1-CD1 4.38Å; V138-L172 HydrophobicContact CG2-CD1 4.36Å; F168-L172 HydrophobicContact CB-CD1 4.36Å; P169-L172 HydrophobicContact CB-CD1 4.36Å; P169-L172 HydrophobicContact CB-CG 4.41Å; P169-L172 HydrophobicContact CG-CD1 4.26Å; P169-L172 WeakPolarHBondContact O-CB 3.48Å; P169-L172 PolarHBondContact O-N 3.31Å; P169-L172 VanDerWaalsContact O-N 3.11Å; L172-L174 HydrophobicContact CB-CD1 4.21Å; L172-L174 HydrophobicContact CB-CG 4.19Å; L172-L174 PolarHBondContact O-N 3Å
173A70.1Confident84.2Confident104 Ų10477 Ų7786%0.8640%0.402SS*.  trans-66.198.4166.600000110.1D171D171-A173 PolarHBondContact O-N 3.41Å
174L76.5Confident84.5Confident57 Ų5775.6 Ų75.630%0.29840%0.402SS..  trans-108.6139.9-177.3-66.6166.1000111.2F168 L172 V178 L179 L182F168-L174 HydrophobicContact CG-CD1 4.38Å; L172-L174 HydrophobicContact CB-CD1 4.21Å; L172-L174 HydrophobicContact CB-CG 4.19Å; L172-L174 PolarHBondContact O-N 3Å; L174-V178 HydrophobicContact CD2-CG1 4.06Å; L174-L179 HydrophobicContact CB-CB 4.37Å; L174-L179 HydrophobicContact CD1-CD1 4.1Å; L174-L182 HydrophobicContact CD1-CD1 3.61Å; L174-L182 HydrophobicContact CD2-CD1 3.63Å; L174-L182 HydrophobicContact CG-CD1 4.25Å
175E79Confident85.1Confident151 Ų15171.9 Ų71.971%0.70638%0.384SS*.  trans-71.6148.8167.2-64.1-175.7173.900110.5A177 V178 L179E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 2.97Å; E175-V178 HydrophobicContact CB-CG2 4.23Å; E175-V178 WeakPolarHBondContact O-CA 3.39Å; E175-V178 PolarHBondContact O-N 2.89Å; E175-L179 PolarHBondContact O-N 2.8Å
176E80.3Confident85.6Confident174 Ų17470.7 Ų70.781%0.81338%0.379SS*.Hα-helixtrans-56.9-38.8-171.9-169.6169.4-160.200113.4L179 E180E176-L179 PolarHBondContact O-N 3.22Å; E176-E180 PolarHBondContact O-N 3.48Å
177A78.6Confident85.8Confident77 Ų7768.9 Ų68.964%0.63637%0.369SS*.Hα-helixtrans-67.7-36.2175.500000113.2E175 E180 E181E175-A177 VanDerWaalsContact C-N 3.3Å; E175-A177 PolarHBondContact O-N 2.97Å; A177-E180 PolarHBondContact O-N 2.95Å; A177-E181 PolarHBondContact O-N 3.25Å; A177-E181 VanDerWaalsContact O-N 3.16Å
178V84.6Confident86Confident55 Ų5573.9 Ų73.933%0.33339%0.392SS..Hα-helixtrans-73.7-36.7176.9-1750000110.2L174 E175 E180 E181 L182L174-V178 HydrophobicContact CD2-CG1 4.06Å; E175-V178 HydrophobicContact CB-CG2 4.23Å; E175-V178 WeakPolarHBondContact O-CA 3.39Å; E175-V178 PolarHBondContact O-N 2.89Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 3.22Å; V178-E181 PolarHBondContact O-N 3.41Å; V178-L182 HydrophobicContact CG1-CD1 3.95Å; V178-L182 HydrophobicContact CG1-CG 4.36Å; V178-L182 WeakPolarHBondContact O-CB 3.27Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 3.01Å
179L85.9Confident86.2Confident71 Ų7175.6 Ų75.637%0.37240%0.401SS..Hα-helixtrans-61.5-39173.2-179.163.7000111.7F168 L174 E175 E176 T183F168-L179 HydrophobicContact CD2-CD1 3.49Å; F168-L179 VanDerWaalsContact CD2-CD1 3.49Å; F168-L179 HydrophobicContact CE2-CD1 3.6Å; L174-L179 HydrophobicContact CB-CB 4.37Å; L174-L179 HydrophobicContact CD1-CD1 4.1Å; E175-L179 PolarHBondContact O-N 2.8Å; E176-L179 PolarHBondContact O-N 3.22Å; L179-T183 VanDerWaalsContact O-CB 3.32Å; L179-T183 WeakPolarHBondContact O-CB 3.47Å; L179-T183 PolarHBondContact O-N 3.46Å; L179-T183 PolarHBondContact O-OG1 3.33Å
180E85.8Confident86.4Confident105 Ų10575.2 Ų75.249%0.49140%0.398SS..Hα-helixtrans-67-44.5174.4-176155-111.400112.3R163 E176 A177 V178 L182 T183 Q184R163-E180 IonicContact CZ-OE1 2.68Å; R163-E180 IonicContact NE-OE1 2.72Å; R163-E180 IonicContact NH2-OE1 3.84Å; R163-E180 PolarHBondContact NH2-OE1 3.04Å; E176-E180 PolarHBondContact O-N 3.48Å; A177-E180 PolarHBondContact O-N 2.95Å; V178-E180 VanDerWaalsContact C-N 3.32Å; V178-E180 PolarHBondContact O-N 3.22Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.94Å; E180-T183 PolarHBondContact O-N 3.32Å; E180-Q184 PolarHBondContact O-N 2.97Å
181E89.8Confident86.9Confident97 Ų9776.4 Ų76.445%0.45340%0.401SS..Hα-helixtrans-59.6-42.9174.4-165-161.1145.200111.9A177 V178 Q184 K185A177-E181 PolarHBondContact O-N 3.25Å; A177-E181 VanDerWaalsContact O-N 3.16Å; V178-E181 PolarHBondContact O-N 3.41Å; E181-Q184 WeakPolarHBondContact O-CB 3.35Å; E181-Q184 PolarHBondContact O-N 3.46Å; E181-K185 WeakPolarHBondContact O-CG 3.12Å; E181-K185 PolarHBondContact O-N 3.04Å; E181-K185 WeakPolarHBondContact OE1-CE 3.13Å; E181-K185 IonicContact OE1-NZ 3.56Å; E181-K185 PolarHBondContact OE1-NZ 2.99Å
182L91Very high87.7Confident3 Ų374.4 Ų74.42%0.01640%0.4CS..Hα-helixtrans-68.5-39.5177.8-70.2169.9000112.1L135 I139 F168 L174 V178 E180 Q184 K185 V186L135-L182 HydrophobicContact CD1-CD1 4.09Å; L135-L182 HydrophobicContact CD1-CD2 3.87Å; L135-L182 HydrophobicContact CD2-CD2 4.05Å; L135-L182 HydrophobicContact CG-CD2 4.06Å; I139-L182 HydrophobicContact CD1-CD2 3.72Å; I139-L182 HydrophobicContact CG1-CD2 4.2Å; F168-L182 HydrophobicContact CE1-CB 3.98Å; F168-L182 HydrophobicContact CE2-CB 4.31Å; F168-L182 HydrophobicContact CZ-CB 3.63Å; L174-L182 HydrophobicContact CD1-CD1 3.61Å; L174-L182 HydrophobicContact CD2-CD1 3.63Å; L174-L182 HydrophobicContact CG-CD1 4.25Å; V178-L182 HydrophobicContact CG1-CD1 3.95Å; V178-L182 HydrophobicContact CG1-CG 4.36Å; V178-L182 WeakPolarHBondContact O-CB 3.27Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 3.01Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 2.94Å; L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 2.84Å; L182-K185 HydrophobicContact CD2-CD 4.39Å; L182-K185 PolarHBondContact O-N 2.8Å; L182-K185 VanDerWaalsContact O-N 3.11Å; L182-V186 WeakPolarHBondContact O-CG2 3.28Å; L182-V186 PolarHBondContact O-N 3.05Å
183T91.8Very high88.3Confident21 Ų2172.6 Ų72.613%0.12939%0.39CS..Hα-helixtrans-60.9-38.5172.8-580000110.8L162 L167 L179 E180 K185 V186 A187L162-T183 HydrophobicContact CB-CG2 3.7Å; L162-T183 HydrophobicContact CD1-CG2 4.33Å; L167-T183 HydrophobicContact CD1-CG2 4.03Å; L179-T183 VanDerWaalsContact O-CB 3.32Å; L179-T183 WeakPolarHBondContact O-CB 3.47Å; L179-T183 PolarHBondContact O-N 3.46Å; L179-T183 PolarHBondContact O-OG1 3.33Å; E180-T183 PolarHBondContact O-N 3.32Å; T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.85Å; T183-V186 PolarHBondContact O-N 3.01Å; T183-A187 PolarHBondContact O-N 2.94Å
184Q90.9Very high89.4Confident129 Ų12969.7 Ų69.760%0.60336%0.363SS*.Hα-helixtrans-67.4-30.7174.3-161.6-175.628.800113.1E180 E181 L182 Q188E180-Q184 PolarHBondContact O-N 2.97Å; E181-Q184 WeakPolarHBondContact O-CB 3.35Å; E181-Q184 PolarHBondContact O-N 3.46Å; L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 2.84Å; Q184-Q188 WeakPolarHBondContact O-CG 3.45Å; Q184-Q188 PolarHBondContact O-N 3.48Å; Q184-Q188 PolarHBondContact O-NE2 3.39Å; Q184-Q188 VanDerWaalsContact O-NE2 3.12Å
185K94.5Very high90Very high74 Ų7469.9 Ų69.932%0.32238%0.379SS..Hα-helixtrans-72.7-39.2172.4-68.8171.6-170.9167.20111.9I139 E181 L182 T183 A187 Q188 E189I139-K185 HydrophobicContact CD1-CB 4.32Å; I139-K185 HydrophobicContact CD1-CD 4.08Å; I139-K185 HydrophobicContact CG2-CB 3.9Å; E181-K185 WeakPolarHBondContact O-CG 3.12Å; E181-K185 PolarHBondContact O-N 3.04Å; E181-K185 WeakPolarHBondContact OE1-CE 3.13Å; E181-K185 IonicContact OE1-NZ 3.56Å; E181-K185 PolarHBondContact OE1-NZ 2.99Å; L182-K185 HydrophobicContact CD2-CD 4.39Å; L182-K185 PolarHBondContact O-N 2.8Å; L182-K185 VanDerWaalsContact O-N 3.11Å; T183-K185 VanDerWaalsContact C-N 3.34Å; T183-K185 PolarHBondContact O-N 2.85Å; K185-A187 VanDerWaalsContact C-N 3.31Å; K185-A187 PolarHBondContact O-N 3.2Å; K185-Q188 WeakPolarHBondContact O-CA 3.5Å; K185-Q188 WeakPolarHBondContact O-CB 3.3Å; K185-Q188 PolarHBondContact O-N 2.94Å; K185-E189 PolarHBondContact O-N 3.26Å
186V95.6Very high90.8Very high0 Ų064.3 Ų64.30%035%0.354CS..Hα-helixtrans-60.3-41.7171.7172.10000111.3I139 A142 V146 L167 F168 L182 T183 Q188 E189 H190I139-V186 HydrophobicContact CG2-CG2 4.22Å; A142-V186 HydrophobicContact CB-CB 4.44Å; A142-V186 HydrophobicContact CB-CG1 3.93Å; A142-V186 HydrophobicContact CB-CG2 3.6Å; V146-V186 HydrophobicContact CG2-CG1 4.14Å; L167-V186 HydrophobicContact CD1-CB 4.21Å; L167-V186 HydrophobicContact CD1-CG1 4.01Å; L167-V186 HydrophobicContact CD1-CG2 4.34Å; L167-V186 HydrophobicContact CD2-CG1 3.89Å; F168-V186 HydrophobicContact CE1-CG2 3.96Å; F168-V186 HydrophobicContact CZ-CG2 3.77Å; L182-V186 WeakPolarHBondContact O-CG2 3.28Å; L182-V186 PolarHBondContact O-N 3.05Å; T183-V186 PolarHBondContact O-N 3.01Å; V186-Q188 PolarHBondContact O-N 2.97Å; V186-E189 PolarHBondContact O-N 2.98Å; V186-H190 WeakPolarHBondContact O-CB 3.33Å; V186-H190 PolarHBondContact O-N 3.33Å
187A93.3Very high91.4Very high11 Ų1159.8 Ų59.89%0.09133%0.334CS..Hα-helixtrans-60.9-29.2173.400000112.9Y153 L162 T183 K185 K191Y153-A187 WeakPolarHBondContact CD2-O 3.29Å; Y153-A187 HydrophobicContact CE2-CB 4.2Å; Y153-A187 WeakPolarHBondContact CE2-O 3.35Å; L162-A187 HydrophobicContact CD1-CB 3.83Å; T183-A187 PolarHBondContact O-N 2.94Å; K185-A187 VanDerWaalsContact C-N 3.31Å; K185-A187 PolarHBondContact O-N 3.2Å; A187-K191 WeakPolarHBondContact O-CB 3.29Å; A187-K191 PolarHBondContact O-N 2.89Å; A187-K191 VanDerWaalsContact O-N 3.11Å
188Q94.2Very high92.1Very high116 Ų11657.3 Ų57.354%0.54231%0.312SS..Hα-helixtrans-75.6-41.5174.9-71.1166.457.400112.5Q184 K185 V186 K191 A192Q184-Q188 WeakPolarHBondContact O-CG 3.45Å; Q184-Q188 PolarHBondContact O-N 3.48Å; Q184-Q188 PolarHBondContact O-NE2 3.39Å; Q184-Q188 VanDerWaalsContact O-NE2 3.12Å; K185-Q188 WeakPolarHBondContact O-CA 3.5Å; K185-Q188 WeakPolarHBondContact O-CB 3.3Å; K185-Q188 PolarHBondContact O-N 2.94Å; V186-Q188 PolarHBondContact O-N 2.97Å; Q188-K191 WeakPolarHBondContact O-CB 3.38Å; Q188-K191 PolarHBondContact O-N 3.5Å; Q188-A192 PolarHBondContact O-N 3.03Å
189E94.9Very high92.5Very high59 Ų5955.7 Ų55.728%0.27630%0.304SS..Hα-helixtrans-64.7-44172.6-69.3-64.8169.800111.5I139 R140 K185 V186 K191 A192 H193I139-E189 HydrophobicContact CG2-CG 3.86Å; R140-E189 HydrophobicContact CG-CG 4.47Å; K185-E189 PolarHBondContact O-N 3.26Å; V186-E189 PolarHBondContact O-N 2.98Å; E189-K191 VanDerWaalsContact C-N 3.27Å; E189-K191 PolarHBondContact O-N 3.22Å; E189-A192 CarbonylContact O-C 3.51Å; E189-A192 WeakPolarHBondContact O-CA 3.49Å; E189-A192 WeakPolarHBondContact O-CB 3.39Å; E189-A192 PolarHBondContact O-N 3.08Å; E189-H193 PolarHBondContact O-CD2 3.4Å; E189-H193 VanDerWaalsContact O-CG 3.29Å; E189-H193 PolarHBondContact O-N 2.86Å; E189-H193 IonicContact OE2-CE1 2.68Å
190H94.7Very high92.9Very high0 Ų057.1 Ų57.10%031%0.309CS..Hα-helixtrans-57.3-41.6174.4-179.9-148.2000111.8V146 Q147 G151 Y153 V186 A192 H193 S194V146-H190 HydrophobicContact CB-CB 4.45Å; V146-H190 HydrophobicContact CG1-CB 4.33Å; V146-H190 WeakPolarHBondContact CG1-CE1 3.47Å; V146-H190 WeakPolarHBondContact CG1-ND1 3.44Å; Q147-H190 PolarHBondContact OE1-CD2 3.34Å; Q147-H190 PolarHBondContact OE1-NE2 3.03Å; G151-H190 PolarHBondContact O-NE2 3.42Å; Y153-H190 WeakPolarHBondContact CA-CE1 3.41Å; Y153-H190 HydrophobicContact CD2-CB 4.33Å; Y153-H190 AromaticContact CD2-ND1 3.63Å; Y153-H190 PolarHBondContact N-NE2 3.35Å; V186-H190 WeakPolarHBondContact O-CB 3.33Å; V186-H190 PolarHBondContact O-N 3.33Å; H190-A192 PolarHBondContact O-N 3.07Å; H190-H193 PolarHBondContact O-N 3.35Å; H190-S194 PolarHBondContact O-N 2.91Å
191K93.8Very high93.5Very high127 Ų12752.1 Ų52.155%0.55229%0.286SS*.Hα-helixtrans-63.9-37.1171.7-171.5177.1178.3-179.20112.9Y153 A187 Q188 E189 H193 S194Y153-K191 HydrophobicContact CD1-CB 4.22Å; Y153-K191 HydrophobicContact CD1-CD 4.36Å; Y153-K191 HydrophobicContact CD1-CG 4.07Å; Y153-K191 HydrophobicContact CD2-CB 3.71Å; Y153-K191 HydrophobicContact CD2-CG 4.44Å; Y153-K191 HydrophobicContact CE1-CD 4.16Å; Y153-K191 HydrophobicContact CE1-CG 4.36Å; Y153-K191 HydrophobicContact CE2-CB 4.01Å; Y153-K191 HydrophobicContact CG-CB 3.82Å; Y153-K191 HydrophobicContact CG-CG 4.13Å; A187-K191 WeakPolarHBondContact O-CB 3.29Å; A187-K191 PolarHBondContact O-N 2.89Å; A187-K191 VanDerWaalsContact O-N 3.11Å; Q188-K191 WeakPolarHBondContact O-CB 3.38Å; Q188-K191 PolarHBondContact O-N 3.5Å; E189-K191 VanDerWaalsContact C-N 3.27Å; E189-K191 PolarHBondContact O-N 3.22Å; K191-H193 VanDerWaalsContact C-N 3.25Å; K191-H193 PolarHBondContact O-N 3.48Å; K191-S194 WeakPolarHBondContact O-CB 3.39Å; K191-S194 PolarHBondContact O-N 2.93Å; K191-S194 PolarHBondContact O-OG 3.25Å
192A95.1Very high93.8Very high72 Ų7247.9 Ų47.960%0.59527%0.266SS*.Hα-helixtrans-69.3-21.8175.100000113.2Q188 E189 H190Q188-A192 PolarHBondContact O-N 3.03Å; E189-A192 CarbonylContact O-C 3.51Å; E189-A192 WeakPolarHBondContact O-CA 3.49Å; E189-A192 WeakPolarHBondContact O-CB 3.39Å; E189-A192 PolarHBondContact O-N 3.08Å; H190-A192 PolarHBondContact O-N 3.07Å
193H94.6Very high94Very high22 Ų2250.6 Ų50.610%0.10228%0.28CS..THydrogen-bonded Turntrans-93.23.5176.2-59.1-22.3000114.4Q147 E189 H190 K191 G195 I196Q147-H193 HydrophobicContact CB-CB 4.08Å; Q147-H193 VanDerWaalsContact CD-O 3.27Å; Q147-H193 HydrophobicContact CG-CB 3.97Å; Q147-H193 PolarHBondContact NE2-O 3.24Å; Q147-H193 PolarHBondContact OE1-O 3.35Å; E189-H193 PolarHBondContact O-CD2 3.4Å; E189-H193 VanDerWaalsContact O-CG 3.29Å; E189-H193 PolarHBondContact O-N 2.86Å; E189-H193 IonicContact OE2-CE1 2.68Å; H190-H193 PolarHBondContact O-N 3.35Å; K191-H193 VanDerWaalsContact C-N 3.25Å; K191-H193 PolarHBondContact O-N 3.48Å; H193-G195 PolarHBondContact O-N 3.47Å; H193-I196 HydrophobicContact CB-CD1 3.99Å; H193-I196 VanDerWaalsContact O-CB 3.27Å; H193-I196 WeakPolarHBondContact O-CB 3.38Å; H193-I196 VanDerWaalsContact O-CG1 3.29Å; H193-I196 WeakPolarHBondContact O-CG1 3.22Å; H193-I196 PolarHBondContact O-N 2.93Å; H193-I196 VanDerWaalsContact O-N 3.09Å
194S92.5Very high94.2Very high43 Ų4353.1 Ų53.130%0.30129%0.291SS..THydrogen-bonded Turntrans-61128.2178.3-66.30000112.1Y153 H190 K191Y153-S194 VanDerWaalsContact CB-OG 3.26Å; Y153-S194 WeakPolarHBondContact CB-OG 3.34Å; H190-S194 PolarHBondContact O-N 2.91Å; K191-S194 WeakPolarHBondContact O-CB 3.39Å; K191-S194 PolarHBondContact O-N 2.93Å; K191-S194 PolarHBondContact O-OG 3.25Å
195G90.3Very high94.5Very high61 Ų6147.2 Ų47.263%0.62926%0.264SS*.THydrogen-bonded Turntrans99.3-9.8-173.400000114.3D152 H193D152-G195 PolarHBondContact OD1-N 3.48Å; H193-G195 PolarHBondContact O-N 3.47Å
196I94.6Very high94.6Very high34 Ų3443.7 Ų43.717%0.17425%0.249CC..  trans-81.7128.8174.6-59.1179.2000109Q147 H193 E200 A201 M204Q147-I196 HydrophobicContact CG-CB 4.39Å; Q147-I196 PolarHBondContact NE2-O 3.49Å; H193-I196 HydrophobicContact CB-CD1 3.99Å; H193-I196 VanDerWaalsContact O-CB 3.27Å; H193-I196 WeakPolarHBondContact O-CB 3.38Å; H193-I196 VanDerWaalsContact O-CG1 3.29Å; H193-I196 WeakPolarHBondContact O-CG1 3.22Å; H193-I196 PolarHBondContact O-N 2.93Å; H193-I196 VanDerWaalsContact O-N 3.09Å; I196-E200 HydrophobicContact CG2-CB 3.67Å; I196-E200 HydrophobicContact CG2-CG 3.83Å; I196-A201 HydrophobicContact CG2-CB 4.27Å; I196-M204 HydrophobicContact CD1-CE 4.34Å; I196-M204 HydrophobicContact CD1-SD 4.04Å; I196-M204 HydrophobicContact CG2-SD 4.36Å
197L93.6Very high94.6Very high78 Ų7845.5 Ų45.541%0.40826%0.258SS..  trans-67150.5177.7-66.8176.5000111A199 E200 A201 P753L197-A199 HydrophobicContact CB-CB 4.45Å; L197-A199 PolarHBondContact O-N 3.46Å; L197-A199 VanDerWaalsContact O-N 3.13Å; L197-E200 WeakPolarHBondContact O-CA 3.44Å; L197-E200 PolarHBondContact O-N 2.93Å; L197-A201 PolarHBondContact O-N 3.22Å; L197-P753 HydrophobicContact CD1-CG 4.41Å; L197-P753 HydrophobicContact CD2-CG 3.69Å
198P93.3Very high94.6Very high25 Ų2546.8 Ų46.816%0.16226%0.262CS..Hα-helixtrans-48.4-43.6175-31.737.5000113.1E200 A201 E202P198-E200 PolarHBondContact O-N 3.42Å; P198-E200 VanDerWaalsContact O-N 3.16Å; P198-A201 PolarHBondContact O-N 3.31Å; P198-E202 WeakPolarHBondContact O-CB 3.45Å; P198-E202 VanDerWaalsContact O-CG 3.27Å; P198-E202 WeakPolarHBondContact O-CG 3.14Å; P198-E202 PolarHBondContact O-N 3.39Å
199A92.8Very high94.7Very high21 Ų2141.2 Ų41.217%0.17424%0.236CC..Hα-helixtrans-47.4-41.6172.100000115.5L197 L203 Y752L197-A199 HydrophobicContact CB-CB 4.45Å; L197-A199 PolarHBondContact O-N 3.46Å; L197-A199 VanDerWaalsContact O-N 3.13Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.37Å; A199-L203 VanDerWaalsContact O-N 3.1Å; A199-Y752 WeakPolarHBondContact CA-OH 3.26Å; A199-Y752 HydrophobicContact CB-CD1 4.32Å; A199-Y752 HydrophobicContact CB-CE1 3.26Å; A199-Y752 VanDerWaalsContact CB-CZ 3.42Å; A199-Y752 WeakPolarHBondContact CB-OH 3.38Å; A199-Y752 PolarHBondContact N-OH 2.8Å
200E94.9Very high94.6Very high101 Ų10140.1 Ų40.147%0.47223%0.231SC..Hα-helixtrans-89.2-32.6-172.4-170.8167.7-152.900109.7I196 L197 P198 L203 M204I196-E200 HydrophobicContact CG2-CB 3.67Å; I196-E200 HydrophobicContact CG2-CG 3.83Å; L197-E200 WeakPolarHBondContact O-CA 3.44Å; L197-E200 PolarHBondContact O-N 2.93Å; P198-E200 PolarHBondContact O-N 3.42Å; P198-E200 VanDerWaalsContact O-N 3.16Å; E200-L203 PolarHBondContact O-N 3.32Å; E200-M204 HydrophobicContact CG-SD 4.42Å; E200-M204 VanDerWaalsContact O-CB 3.25Å; E200-M204 WeakPolarHBondContact O-CB 3.34Å; E200-M204 WeakPolarHBondContact O-CG 3.49Å; E200-M204 PolarHBondContact O-N 3.11Å
201A96.6Very high94.4Very high0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-64.6-45167.200000112.2Q147 A148 I196 L197 P198 M204 Y205Q147-A201 HydrophobicContact CB-CB 4.06Å; Q147-A201 HydrophobicContact CG-CB 3.97Å; A148-A201 HydrophobicContact CB-CB 3.97Å; I196-A201 HydrophobicContact CG2-CB 4.27Å; L197-A201 PolarHBondContact O-N 3.22Å; P198-A201 PolarHBondContact O-N 3.31Å; A201-M204 PolarHBondContact O-N 3.09Å; A201-Y205 WeakPolarHBondContact O-CB 3.47Å; A201-Y205 PolarHBondContact O-N 2.59Å
202E96.3Very high94.3Very high8 Ų842.2 Ų42.24%0.03724%0.236CC..Hα-helixtrans-55.8-49.8170.4-71169.5-127.600111Y116 Y119 A148 P198 Y205 I206 Y752Y116-E202 VanDerWaalsContact CA-OE2 3.23Å; Y116-E202 WeakPolarHBondContact CA-OE2 3.36Å; Y116-E202 WeakPolarHBondContact CB-OE2 3.33Å; Y116-E202 HydrophobicContact CD2-CG 4.46Å; Y116-E202 PolarHBondContact N-OE2 2.99Å; Y119-E202 HydrophobicContact CD1-CG 3.95Å; Y119-E202 HydrophobicContact CE1-CG 4.35Å; Y119-E202 HydrophobicContact CG-CB 4.27Å; Y119-E202 HydrophobicContact CG-CG 4.06Å; A148-E202 HydrophobicContact CB-CG 4.2Å; P198-E202 WeakPolarHBondContact O-CB 3.45Å; P198-E202 VanDerWaalsContact O-CG 3.27Å; P198-E202 WeakPolarHBondContact O-CG 3.14Å; P198-E202 PolarHBondContact O-N 3.39Å; E202-Y205 WeakPolarHBondContact O-CB 3.38Å; E202-Y205 PolarHBondContact O-N 2.86Å; E202-I206 WeakPolarHBondContact O-CG1 3.4Å; E202-I206 PolarHBondContact O-N 3.48Å; E202-Y752 PolarHBondContact OE1-OH 2.99Å; E202-Y752 VanDerWaalsContact OE1-OH 3.06Å
203L95.4Very high93.9Very high61 Ų6142.7 Ų42.732%0.31923%0.229SC..Hα-helixtrans-63.1-42.3-179.9-178.864.3000111.5V106 A199 E200 N207V106-L203 HydrophobicContact CB-CD1 4.22Å; V106-L203 HydrophobicContact CG1-CD1 3.53Å; V106-L203 HydrophobicContact CG2-CD1 3.63Å; A199-L203 WeakPolarHBondContact O-CB 3.39Å; A199-L203 PolarHBondContact O-N 3.37Å; A199-L203 VanDerWaalsContact O-N 3.1Å; E200-L203 PolarHBondContact O-N 3.32Å; L203-N207 WeakPolarHBondContact O-CB 3.19Å; L203-N207 PolarHBondContact O-N 3.4Å; L203-N207 PolarHBondContact O-ND2 2.8Å
204M96Very high93.6Very high73 Ų7342.4 Ų42.436%0.3623%0.232SC..Hα-helixtrans-66.5-39.4175.6-76173.470.100111.9L144 I196 E200 A201 N207 E208L144-M204 HydrophobicContact CD1-CB 4.12Å; L144-M204 HydrophobicContact CD2-CB 3.88Å; L144-M204 HydrophobicContact CD2-CE 4.06Å; L144-M204 HydrophobicContact CD2-SD 4.39Å; I196-M204 HydrophobicContact CD1-CE 4.34Å; I196-M204 HydrophobicContact CD1-SD 4.04Å; I196-M204 HydrophobicContact CG2-SD 4.36Å; E200-M204 HydrophobicContact CG-SD 4.42Å; E200-M204 VanDerWaalsContact O-CB 3.25Å; E200-M204 WeakPolarHBondContact O-CB 3.34Å; E200-M204 WeakPolarHBondContact O-CG 3.49Å; E200-M204 PolarHBondContact O-N 3.11Å; A201-M204 PolarHBondContact O-N 3.09Å; M204-N207 PolarHBondContact O-N 3.09Å; M204-E208 PolarHBondContact O-N 2.79Å
205Y97.4Very high93.5Very high5 Ų540.7 Ų40.72%0.0222%0.219CC..Hα-helixtrans-60.1-48.6175-168.2-74.7000110.9Y119 V122 K123 L141 L144 A145 A201 E202 N207 E208 V209Y119-Y205 AromaticContact CD2-CD1 3.79Å; Y119-Y205 HydrophobicContact CD2-CD1 3.79Å; Y119-Y205 HydrophobicContact CD2-CD2 4.42Å; Y119-Y205 HydrophobicContact CD2-CE1 4.48Å; Y119-Y205 AromaticContact CD2-CG 3.78Å; Y119-Y205 HydrophobicContact CD2-CG 3.78Å; Y119-Y205 HydrophobicContact CE2-CD1 4.04Å; Y119-Y205 AromaticContact CE2-CD2 3.9Å; Y119-Y205 HydrophobicContact CE2-CD2 3.9Å; Y119-Y205 HydrophobicContact CE2-CE2 4.4Å; Y119-Y205 AromaticContact CE2-CG 3.72Å; Y119-Y205 HydrophobicContact CE2-CG 3.72Å; V122-Y205 HydrophobicContact CG2-CD1 3.86Å; V122-Y205 HydrophobicContact CG2-CE1 3.89Å; K123-Y205 WeakPolarHBondContact CA-OH 3.49Å; K123-Y205 HydrophobicContact CB-CE1 4.02Å; L141-Y205 HydrophobicContact CB-CD2 4.31Å; L141-Y205 HydrophobicContact CB-CE2 3.66Å; L141-Y205 HydrophobicContact CD2-CD1 4.26Å; L141-Y205 HydrophobicContact CD2-CD2 3.86Å; L141-Y205 HydrophobicContact CD2-CE1 4.2Å; L141-Y205 HydrophobicContact CD2-CE2 3.81Å; L141-Y205 HydrophobicContact CD2-CG 4.07Å; L141-Y205 HydrophobicContact CG-CE2 4.31Å; L141-Y205 WeakPolarHBondContact O-CD2 3.29Å; L141-Y205 WeakPolarHBondContact O-CE2 3.49Å; L144-Y205 HydrophobicContact CB-CD2 4.04Å; A145-Y205 HydrophobicContact CB-CD2 4.11Å; A145-Y205 HydrophobicContact CB-CE2 3.83Å; A201-Y205 WeakPolarHBondContact O-CB 3.47Å; A201-Y205 PolarHBondContact O-N 2.59Å; E202-Y205 WeakPolarHBondContact O-CB 3.38Å; E202-Y205 PolarHBondContact O-N 2.86Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 3.41Å; Y205-E208 PolarHBondContact O-N 3.29Å; Y205-V209 HydrophobicContact CD1-CG2 3.88Å; Y205-V209 HydrophobicContact CE1-CG2 3.58Å; Y205-V209 WeakPolarHBondContact O-CG2 3.5Å; Y205-V209 PolarHBondContact O-N 2.9Å
206I96.6Very high93.6Very high1 Ų138.2 Ų38.21%0.00519%0.193CC..Hα-helixtrans-62.4-42.1176.1-59.9164000110.7V106 R115 Y118 V122 E202 E208 V209 E210V106-I206 HydrophobicContact CB-CB 4.47Å; V106-I206 HydrophobicContact CB-CG2 3.8Å; V106-I206 HydrophobicContact CG2-CB 4.15Å; V106-I206 HydrophobicContact CG2-CD1 4.05Å; V106-I206 HydrophobicContact CG2-CG2 3.76Å; R115-I206 HydrophobicContact CB-CD1 4.36Å; R115-I206 WeakPolarHBondContact O-CD1 3.4Å; Y118-I206 HydrophobicContact CD1-CD1 4.3Å; Y118-I206 HydrophobicContact CD1-CG1 4.35Å; Y118-I206 HydrophobicContact CD1-CG2 4Å; Y118-I206 HydrophobicContact CE1-CG2 4.07Å; V122-I206 HydrophobicContact CG2-CG1 4.15Å; E202-I206 WeakPolarHBondContact O-CG1 3.4Å; E202-I206 PolarHBondContact O-N 3.48Å; I206-E208 VanDerWaalsContact C-N 3.32Å; I206-E208 PolarHBondContact O-N 3.26Å; I206-V209 PolarHBondContact O-N 2.93Å; I206-E210 WeakPolarHBondContact O-CG 3.4Å; I206-E210 PolarHBondContact O-N 3.05Å
207N95.2Very high93.4Very high38 Ų3838 Ų3820%0.20319%0.192CC..Hα-helixtrans-62.7-32178.1-88.1-72.3000113.8L203 M204 Y205 E210 R211L203-N207 WeakPolarHBondContact O-CB 3.19Å; L203-N207 PolarHBondContact O-N 3.4Å; L203-N207 PolarHBondContact O-ND2 2.8Å; M204-N207 PolarHBondContact O-N 3.09Å; Y205-N207 VanDerWaalsContact C-N 3.34Å; Y205-N207 PolarHBondContact O-N 3.41Å; N207-E210 WeakPolarHBondContact O-CG 3.36Å; N207-R211 PolarHBondContact O-NE 3.45Å; N207-R211 PolarHBondContact O-NH1 3.44Å; N207-R211 VanDerWaalsContact O-NH1 3.14Å; N207-R211 PolarHBondContact O-NH2 3.18Å
208E94.6Very high93.3Very high37 Ų3735.9 Ų35.917%0.17318%0.18CC..Hα-helixtrans-79.2-40.3174.2-173.974155.600110.9R140 L141 M204 Y205 I206 R211R140-E208 IonicContact CZ-OE1 3.57Å; R140-E208 IonicContact NE-OE1 3.21Å; R140-E208 PolarHBondContact NE-OE1 2.83Å; R140-E208 IonicContact NH2-OE1 3.64Å; R140-E208 PolarHBondContact NH2-OE1 3.18Å; L141-E208 HydrophobicContact CD2-CB 3.95Å; L141-E208 HydrophobicContact CD2-CG 3.98Å; L141-E208 HydrophobicContact CG-CG 4.43Å; M204-E208 PolarHBondContact O-N 2.79Å; Y205-E208 PolarHBondContact O-N 3.29Å; I206-E208 VanDerWaalsContact C-N 3.32Å; I206-E208 PolarHBondContact O-N 3.26Å; E208-R211 PolarHBondContact O-N 3.09Å; E208-R211 IonicContact OE2-NH1 3.47Å; E208-R211 PolarHBondContact OE2-NH1 2.83Å
209V94.9Very high93.2Very high0 Ų038.6 Ų38.60%019%0.192CC..Hα-helixtrans-70-31.4-179.8174.60000113.5V122 V126 L131 L141 Y205 I206 R211 L212 F215V122-V209 HydrophobicContact CB-CB 4.41Å; V122-V209 HydrophobicContact CB-CG1 3.82Å; V122-V209 HydrophobicContact CG1-CG1 4.25Å; V122-V209 HydrophobicContact CG2-CB 4.45Å; V122-V209 HydrophobicContact CG2-CG1 4.38Å; V126-V209 HydrophobicContact CG2-CG2 4.05Å; L131-V209 HydrophobicContact CD1-CG1 3.52Å; L141-V209 HydrophobicContact CD1-CG2 3.98Å; L141-V209 HydrophobicContact CD2-CG2 3.61Å; L141-V209 HydrophobicContact CG-CG2 4.48Å; Y205-V209 HydrophobicContact CD1-CG2 3.88Å; Y205-V209 HydrophobicContact CE1-CG2 3.58Å; Y205-V209 WeakPolarHBondContact O-CG2 3.5Å; Y205-V209 PolarHBondContact O-N 2.9Å; I206-V209 PolarHBondContact O-N 2.93Å; V209-R211 PolarHBondContact O-N 2.86Å; V209-L212 HydrophobicContact CB-CD1 4.36Å; V209-L212 HydrophobicContact CG1-CD1 4.17Å; V209-L212 HydrophobicContact CG2-CD1 4.21Å; V209-L212 PolarHBondContact O-N 2.9Å; V209-L212 VanDerWaalsContact O-N 3.14Å; V209-F215 HydrophobicContact CG1-CD2 3.85Å; V209-F215 HydrophobicContact CG1-CE2 4.15Å; V209-F215 WeakPolarHBondContact O-CD2 3.34Å
210E93.1Very high93.1Very high35 Ų3538.6 Ų38.616%0.16419%0.188CC..THydrogen-bonded Turntrans-62.5-9.4176.367.5175.3-128.500114.1N105 V106 I206 N207 F215N105-E210 VanDerWaalsContact CA-OE2 3.27Å; N105-E210 WeakPolarHBondContact CA-OE2 3.18Å; N105-E210 PolarHBondContact ND2-OE1 3.03Å; N105-E210 PolarHBondContact ND2-OE2 2.85Å; V106-E210 PolarHBondContact N-OE2 3.4Å; I206-E210 WeakPolarHBondContact O-CG 3.4Å; I206-E210 PolarHBondContact O-N 3.05Å; N207-E210 WeakPolarHBondContact O-CG 3.36Å; E210-F215 HydrophobicContact CB-CD1 4.06Å; E210-F215 HydrophobicContact CB-CE1 3.59Å; E210-F215 HydrophobicContact CB-CE2 4.29Å; E210-F215 HydrophobicContact CB-CZ 3.7Å
211R90.6Very high93Very high159 Ų15936.8 Ų36.860%0.619%0.185SC*.THydrogen-bonded Turntrans-99-3.6179.9-55.1178.9-173.2122.812.9114.3N207 E208 V209N207-R211 PolarHBondContact O-NE 3.45Å; N207-R211 PolarHBondContact O-NH1 3.44Å; N207-R211 VanDerWaalsContact O-NH1 3.14Å; N207-R211 PolarHBondContact O-NH2 3.18Å; E208-R211 PolarHBondContact O-N 3.09Å; E208-R211 IonicContact OE2-NH1 3.47Å; E208-R211 PolarHBondContact OE2-NH1 2.83Å; V209-R211 PolarHBondContact O-N 2.86Å
212L91.3Very high92.7Very high13 Ų1337.1 Ų37.17%0.06819%0.187CC..SBendtrans-85.1144.7-176-58.4177.4000112.8L131 C133 L141 V209 F215L131-L212 HydrophobicContact CB-CD1 4.24Å; C133-L212 VanDerWaalsContact SG-CD1 3.56Å; L141-L212 HydrophobicContact CD1-CD1 4.44Å; V209-L212 HydrophobicContact CB-CD1 4.36Å; V209-L212 HydrophobicContact CG1-CD1 4.17Å; V209-L212 HydrophobicContact CG2-CD1 4.21Å; V209-L212 PolarHBondContact O-N 2.9Å; V209-L212 VanDerWaalsContact O-N 3.14Å; L212-F215 VanDerWaalsContact O-CB 3.3Å; L212-F215 WeakPolarHBondContact O-CB 3.08Å; L212-F215 PolarHBondContact O-N 3.4Å; L212-F215 VanDerWaalsContact O-N 3.16Å
213D87.3Confident92.5Very high82 Ų8240.2 Ų40.244%0.43920%0.2SC..THydrogen-bonded Turntrans-65.8139165.8-172.333.6000109.3Q217 R242D213-Q217 PolarHBondContact OD1-NE2 3.18Å; D213-R242 IonicContact OD1-NH2 3.77Å; D213-R242 PolarHBondContact OD1-NH2 2.82Å; D213-R242 IonicContact OD2-CZ 2.75Å; D213-R242 IonicContact OD2-NH1 3.84Å; D213-R242 PolarHBondContact OD2-NH1 3.03Å; D213-R242 IonicContact OD2-NH2 3.38Å; D213-R242 PolarHBondContact OD2-NH2 2.64Å
214G87.8Confident92.2Very high15 Ų1538.7 Ų38.716%0.15519%0.193CC..THydrogen-bonded Turntrans95.4-16.1-167.700000114.4L131 G216 Q217L131-G214 WeakPolarHBondContact CD2-O 3.41Å; G214-G216 PolarHBondContact O-N 3.39Å; G214-G216 VanDerWaalsContact O-N 3.13Å; G214-Q217 WeakPolarHBondContact O-CB 3.48Å; G214-Q217 PolarHBondContact O-N 2.97Å
215F92.1Very high91.7Very high7 Ų739.4 Ų39.43%0.03120%0.198CC..THydrogen-bonded Turntrans-58.3119.6-176-179.2-111.6000112.7Y102 V103 Y118 V122 V209 E210 L212 Q217 F236Y102-F215 HydrophobicContact CD1-CE2 4.1Å; Y102-F215 HydrophobicContact CD1-CZ 4.25Å; V103-F215 WeakPolarHBondContact O-CE1 3.47Å; Y118-F215 HydrophobicContact CE1-CE2 4.25Å; Y118-F215 HydrophobicContact CE1-CZ 4.02Å; V122-F215 HydrophobicContact CG1-CE2 3.93Å; V209-F215 HydrophobicContact CG1-CD2 3.85Å; V209-F215 HydrophobicContact CG1-CE2 4.15Å; V209-F215 WeakPolarHBondContact O-CD2 3.34Å; E210-F215 HydrophobicContact CB-CD1 4.06Å; E210-F215 HydrophobicContact CB-CE1 3.59Å; E210-F215 HydrophobicContact CB-CE2 4.29Å; E210-F215 HydrophobicContact CB-CZ 3.7Å; L212-F215 VanDerWaalsContact O-CB 3.3Å; L212-F215 WeakPolarHBondContact O-CB 3.08Å; L212-F215 PolarHBondContact O-N 3.4Å; L212-F215 VanDerWaalsContact O-N 3.16Å; F215-Q217 PolarHBondContact O-N 3.07Å; F215-F236 AromaticContact CD1-CE1 3.85Å; F215-F236 HydrophobicContact CD1-CE1 3.85Å; F215-F236 HydrophobicContact CE1-CE1 4.25Å
216G90.4Very high91Very high9 Ų946.6 Ų46.69%0.09323%0.231CC..THydrogen-bonded Turntrans62.215-175.600000115.5Y102 G214 F235Y102-G216 VanDerWaalsContact CG-CA 3.43Å; G214-G216 PolarHBondContact O-N 3.39Å; G214-G216 VanDerWaalsContact O-N 3.13Å; G216-F235 WeakPolarHBondContact O-CA 3.39Å
217Q91.2Very high90.4Very high30 Ų3048.7 Ų48.714%0.1425%0.253CS..  trans-88.7129.7179.1-57.9-178.829.400111D213 G214 F215 I234 F235 F240D213-Q217 PolarHBondContact OD1-NE2 3.18Å; G214-Q217 WeakPolarHBondContact O-CB 3.48Å; G214-Q217 PolarHBondContact O-N 2.97Å; F215-Q217 PolarHBondContact O-N 3.07Å; Q217-I234 WeakPolarHBondContact CA-O 3.47Å; Q217-F235 HydrophobicContact CG-CB 4.04Å; Q217-F240 HydrophobicContact CB-CE1 4.07Å; Q217-F240 HydrophobicContact CB-CZ 4.22Å; Q217-F240 HydrophobicContact CG-CE1 3.89Å; Q217-F240 HydrophobicContact CG-CZ 4.28Å
218E91.9Very high90Very high34 Ų3450.7 Ų50.716%0.15926%0.264CS..EExtended strand (participates in β ladder)trans-120.6128.7170.6-164.5176.1153.200108.4W75 F220 G233 I234 L294 R298W75-E218 PolarHBondContact NE1-OE1 2.81Å; W75-E218 PolarHBondContact NE1-OE2 2.89Å; W75-E218 VanDerWaalsContact NE1-OE2 3.14Å; E218-F220 HydrophobicContact CB-CE2 4.42Å; E218-F220 HydrophobicContact CG-CE2 3.97Å; E218-F220 HydrophobicContact CG-CZ 3.9Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.47Å; E218-G233 CarbonylContact O-C 3.42Å; E218-G233 VanDerWaalsContact O-CA 3.27Å; E218-G233 WeakPolarHBondContact O-CA 3.47Å; E218-I234 HydrophobicContact CB-CG2 3.98Å; E218-I234 PolarHBondContact N-O 3.45Å; E218-I234 WeakPolarHBondContact O-CG2 3.48Å; E218-I234 PolarHBondContact O-N 3.32Å; E218-L294 WeakPolarHBondContact OE1-CD2 3.16Å; E218-R298 IonicContact OE2-CZ 3.8Å; E218-R298 IonicContact OE2-NH1 2.64Å; E218-R298 PolarHBondContact OE2-NH1 2.93Å; E218-R298 IonicContact OE2-NH2 3.42Å; E218-R298 PolarHBondContact OE2-NH2 2.85Å
219I91.1Very high89.7Confident81 Ų8151.8 Ų51.842%0.41528%0.275SS..EExtended strand (participates in β ladder)trans-123.6131.7-163.1-60.5178.4000111.3H231 F240I219-H231 HydrophobicContact CG2-CB 3.66Å; I219-F240 HydrophobicContact CD1-CE2 4.42Å; I219-F240 HydrophobicContact CD1-CZ 4.02Å; I219-F240 HydrophobicContact CG1-CE2 4.46Å; I219-F240 HydrophobicContact CG1-CZ 3.9Å
220F91.6Very high89.5Confident21 Ų2152.1 Ų52.19%0.09228%0.277CS..EExtended strand (participates in β ladder)trans-119.5131.1-179.9-60.1-83.8000111.5E218 L232 I234 Y290 I291 L294 F295E218-F220 HydrophobicContact CB-CE2 4.42Å; E218-F220 HydrophobicContact CG-CE2 3.97Å; E218-F220 HydrophobicContact CG-CZ 3.9Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.47Å; F220-L232 PolarHBondContact N-O 2.72Å; F220-L232 PolarHBondContact O-N 3.38Å; F220-I234 HydrophobicContact CE2-CG2 4.28Å; F220-Y290 HydrophobicContact CE1-CE1 4.01Å; F220-Y290 HydrophobicContact CZ-CE1 4.33Å; F220-I291 HydrophobicContact CB-CD1 3.75Å; F220-I291 HydrophobicContact CB-CG1 4.46Å; F220-I291 HydrophobicContact CD1-CD1 3.65Å; F220-I291 HydrophobicContact CD1-CG1 3.68Å; F220-I291 HydrophobicContact CD2-CG1 4.43Å; F220-I291 HydrophobicContact CD2-CG2 4.27Å; F220-I291 HydrophobicContact CE1-CD1 4.48Å; F220-I291 HydrophobicContact CE1-CG1 4.02Å; F220-I291 HydrophobicContact CG-CD1 3.73Å; F220-I291 HydrophobicContact CG-CG1 3.9Å; F220-I291 HydrophobicContact CG-CG2 4.39Å; F220-L294 HydrophobicContact CE2-CD2 4.03Å; F220-L294 HydrophobicContact CZ-CD2 3.65Å; F220-F295 AromaticContact CD2-CE1 3.84Å; F220-F295 HydrophobicContact CD2-CE1 3.84Å; F220-F295 HydrophobicContact CD2-CZ 4.05Å; F220-F295 AromaticContact CE2-CE1 3.76Å; F220-F295 HydrophobicContact CE2-CE1 3.76Å; F220-F295 HydrophobicContact CE2-CZ 4.42Å
221P90.8Very high89.4Confident64 Ų6452.9 Ų52.942%0.41628%0.28SS..EExtended strand (participates in β ladder)trans-72.8127.8170.530.4-32.8000110.2
222V92.2Very high89.5Confident6 Ų645.3 Ų45.34%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-143175.2178.5-54.80000110V230 L232 F280 H281 T282V222-V230 HydrophobicContact CG2-CG2 3.59Å; V222-V230 PolarHBondContact N-O 3.11Å; V222-V230 PolarHBondContact O-N 3.21Å; V222-L232 HydrophobicContact CG1-CB 4.02Å; V222-L232 HydrophobicContact CG1-CD2 4.22Å; V222-L232 HydrophobicContact CG2-CB 3.69Å; V222-F280 HydrophobicContact CB-CB 4.19Å; V222-F280 HydrophobicContact CG1-CB 4.49Å; V222-F280 HydrophobicContact CG2-CB 3.93Å; V222-F280 HydrophobicContact CG2-CD1 3.94Å; V222-F280 HydrophobicContact CG2-CG 4.28Å; V222-H281 CarbonylContact C-O 3.58Å; V222-H281 WeakPolarHBondContact CA-O 3.25Å; V222-T282 HydrophobicContact CG1-CG2 4.13Å
223K91.4Very high89.5Confident74 Ų7444.7 Ų44.732%0.32225%0.248SC..EExtended strand (participates in β ladder)trans-115.3140.8169.9-65.2149.7-175.31510110.3N228 F280 H281 D283K223-N228 CarbonylContact C-O 3.55Å; K223-N228 VanDerWaalsContact CA-O 3.24Å; K223-N228 WeakPolarHBondContact CA-O 3.27Å; K223-F280 CarbonylContact O-C 3.53Å; K223-F280 WeakPolarHBondContact O-CA 2.99Å; K223-H281 HydrophobicContact CB-CB 4.21Å; K223-H281 PolarHBondContact N-O 2.83Å; K223-H281 PolarHBondContact O-N 2.93Å; K223-D283 IonicContact NZ-OD1 2.88Å; K223-D283 PolarHBondContact NZ-OD1 3.25Å
224D88.1Confident89.7Confident29 Ų2940.8 Ų40.816%0.15523%0.227CC..  trans-74.2-171.917778.5-13.4000112.5H226 G227 N228 V230 H281D224-H226 PolarHBondContact O-N 2.82Å; D224-H226 VanDerWaalsContact OD1-C 3.32Å; D224-H226 WeakPolarHBondContact OD1-CA 3.34Å; D224-H226 WeakPolarHBondContact OD1-CB 3.39Å; D224-H226 PolarHBondContact OD1-N 3.45Å; D224-H226 IonicContact OD1-ND1 2.69Å; D224-H226 IonicContact OD2-CE1 3.83Å; D224-H226 IonicContact OD2-CG 2.68Å; D224-H226 IonicContact OD2-ND1 2.6Å; D224-H226 PolarHBondContact OD2-ND1 2.95Å; D224-G227 PolarHBondContact O-N 3.49Å; D224-G227 PolarHBondContact OD1-N 3.43Å; D224-N228 PolarHBondContact N-O 3.35Å; D224-N228 WeakPolarHBondContact OD1-CB 3.35Å; D224-N228 PolarHBondContact OD1-N 3.13Å; D224-N228 PolarHBondContact OD1-ND2 2.9Å; D224-N228 PolarHBondContact OD2-ND2 3.27Å; D224-V230 HydrophobicContact CB-CG2 4.42Å; D224-H281 PolarHBondContact O-ND1 2.99Å
225N85.4Confident89.9Confident88 Ų8841.3 Ų41.347%0.47123%0.226SC..THydrogen-bonded Turntrans-61.6-19.7174.6-73.81.8000114L279N225-L279 WeakPolarHBondContact OD1-CB 3.25Å; N225-L279 WeakPolarHBondContact OD1-CG 3.19Å; N225-L279 PolarHBondContact OD1-O 3.09Å
226H84.3Confident89.8Confident155 Ų15542.4 Ų42.472%0.71823%0.231SC*.THydrogen-bonded Turntrans-102.81.1-177.9-4299.3000112.2D224D224-H226 PolarHBondContact O-N 2.82Å; D224-H226 VanDerWaalsContact OD1-C 3.32Å; D224-H226 WeakPolarHBondContact OD1-CA 3.34Å; D224-H226 WeakPolarHBondContact OD1-CB 3.39Å; D224-H226 PolarHBondContact OD1-N 3.45Å; D224-H226 IonicContact OD1-ND1 2.69Å; D224-H226 IonicContact OD2-CE1 3.83Å; D224-H226 IonicContact OD2-CG 2.68Å; D224-H226 IonicContact OD2-ND1 2.6Å; D224-H226 PolarHBondContact OD2-ND1 2.95Å
227G82.6Confident89.7Confident45 Ų4544.8 Ų44.846%0.46424%0.24SC..  trans85.41.9-17700000115.2D224 C229D224-G227 PolarHBondContact O-N 3.49Å; D224-G227 PolarHBondContact OD1-N 3.43Å; G227-C229 PolarHBondContact O-N 2.91Å
228N86.9Confident89.7Confident80 Ų8043.3 Ų43.343%0.42823%0.233SC..  trans-66.9129.8179-61-59.2000110.8K223 D224 V230K223-N228 CarbonylContact C-O 3.55Å; K223-N228 VanDerWaalsContact CA-O 3.24Å; K223-N228 WeakPolarHBondContact CA-O 3.27Å; D224-N228 PolarHBondContact N-O 3.35Å; D224-N228 WeakPolarHBondContact OD1-CB 3.35Å; D224-N228 PolarHBondContact OD1-N 3.13Å; D224-N228 PolarHBondContact OD1-ND2 2.9Å; D224-N228 PolarHBondContact OD2-ND2 3.27Å; N228-V230 HydrophobicContact CB-CG1 4.4Å; N228-V230 PolarHBondContact O-N 3.44Å
229C88.3Confident89.7Confident60 Ų6041.7 Ų41.741%0.40523%0.226SC..EExtended strand (participates in β ladder)trans-69.2111174.2-65.80000111.1G227 R244G227-C229 PolarHBondContact O-N 2.91Å; C229-R244 WeakPolarHBondContact O-CD 3.46Å; C229-R244 WeakPolarHBondContact O-CG 3.49Å
230V91.1Very high89.7Confident7 Ų738.1 Ų38.14%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-123.5167.6-179.7-59.90000111.1V222 D224 N228 V241V222-V230 HydrophobicContact CG2-CG2 3.59Å; V222-V230 PolarHBondContact N-O 3.11Å; V222-V230 PolarHBondContact O-N 3.21Å; D224-V230 HydrophobicContact CB-CG2 4.42Å; N228-V230 HydrophobicContact CB-CG1 4.4Å; N228-V230 PolarHBondContact O-N 3.44Å; V230-V241 HydrophobicContact CB-CG1 4.2Å; V230-V241 HydrophobicContact CG2-CG1 4.03Å
231H91.1Very high89.6Confident51 Ų5138.3 Ų38.324%0.23621%0.21CC..EExtended strand (participates in β ladder)trans-108.9114.8175.3-69.2133.4000109.7I219 V241 R242 R244I219-H231 HydrophobicContact CG2-CB 3.66Å; H231-V241 WeakPolarHBondContact O-CA 3.24Å; H231-R242 HydrophobicContact CB-CB 4.45Å; H231-R242 WeakPolarHBondContact CB-O 3.47Å; H231-R242 PolarHBondContact N-O 3.24Å; H231-R242 PolarHBondContact O-N 3.43Å; H231-R244 PolarHBondContact NE2-NE 2.69Å; H231-R244 PolarHBondContact NE2-NH2 3.09Å
232L92.3Very high89.4Confident0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-93.6104.4175.3-178.568.2000108.2F220 V222 I239 V241 I267 F280 F295F220-L232 PolarHBondContact N-O 2.72Å; F220-L232 PolarHBondContact O-N 3.38Å; V222-L232 HydrophobicContact CG1-CB 4.02Å; V222-L232 HydrophobicContact CG1-CD2 4.22Å; V222-L232 HydrophobicContact CG2-CB 3.69Å; L232-I239 HydrophobicContact CD1-CG2 3.55Å; L232-I239 HydrophobicContact CG-CG2 4.46Å; L232-V241 HydrophobicContact CD1-CG2 4.06Å; L232-I267 HydrophobicContact CD2-CD1 4.03Å; L232-F280 HydrophobicContact CD1-CD1 4.28Å; L232-F280 HydrophobicContact CD1-CD2 4Å; L232-F280 HydrophobicContact CD1-CE1 4.14Å; L232-F280 HydrophobicContact CD1-CE2 3.85Å; L232-F280 HydrophobicContact CD1-CG 4.22Å; L232-F280 HydrophobicContact CD1-CZ 3.93Å; L232-F280 HydrophobicContact CD2-CB 4.1Å; L232-F280 HydrophobicContact CD2-CD2 3.96Å; L232-F280 HydrophobicContact CD2-CG 3.96Å; L232-F295 HydrophobicContact CD1-CE2 4.25Å; L232-F295 HydrophobicContact CD2-CE2 3.72Å; L232-F295 HydrophobicContact CD2-CZ 4.12Å; L232-F295 HydrophobicContact CG-CE2 3.73Å; L232-F295 HydrophobicContact CG-CZ 3.94Å
233G91.3Very high88.9Confident0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-102.3158.5-179.600000113.3E218 I239 F240E218-G233 CarbonylContact O-C 3.42Å; E218-G233 VanDerWaalsContact O-CA 3.27Å; E218-G233 WeakPolarHBondContact O-CA 3.47Å; G233-I239 CarbonylContact O-C 3.49Å; G233-I239 WeakPolarHBondContact O-CA 3.49Å; G233-F240 PolarHBondContact N-O 2.84Å; G233-F240 PolarHBondContact O-N 3.31Å
234I92.6Very high87.8Confident0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-136141.3175.9-179.3163.5000110.1Q217 E218 F220 I239 W254 F295 R298Q217-I234 WeakPolarHBondContact CA-O 3.47Å; E218-I234 HydrophobicContact CB-CG2 3.98Å; E218-I234 PolarHBondContact N-O 3.45Å; E218-I234 WeakPolarHBondContact O-CG2 3.48Å; E218-I234 PolarHBondContact O-N 3.32Å; F220-I234 HydrophobicContact CE2-CG2 4.28Å; I234-I239 HydrophobicContact CG1-CG1 4.49Å; I234-W254 HydrophobicContact CD1-CH2 3.61Å; I234-W254 HydrophobicContact CD1-CZ2 4.13Å; I234-W254 HydrophobicContact CG1-CH2 3.87Å; I234-W254 HydrophobicContact CG1-CZ2 4.03Å; I234-F295 HydrophobicContact CB-CD1 4.09Å; I234-F295 HydrophobicContact CB-CE1 3.61Å; I234-F295 HydrophobicContact CB-CE2 4.47Å; I234-F295 HydrophobicContact CB-CZ 3.81Å; I234-F295 HydrophobicContact CD1-CB 4.06Å; I234-F295 HydrophobicContact CD1-CD1 3.44Å; I234-F295 VanDerWaalsContact CD1-CD1 3.44Å; I234-F295 HydrophobicContact CD1-CD2 4.43Å; I234-F295 HydrophobicContact CD1-CE1 3.91Å; I234-F295 HydrophobicContact CD1-CG 3.72Å; I234-F295 HydrophobicContact CG1-CD1 4.38Å; I234-F295 HydrophobicContact CG1-CE1 4.39Å; I234-F295 HydrophobicContact CG2-CD1 4.01Å; I234-F295 HydrophobicContact CG2-CE1 3.39Å; I234-F295 HydrophobicContact CG2-CZ 3.98Å; I234-R298 HydrophobicContact CD1-CB 3.77Å; I234-R298 HydrophobicContact CD1-CG 4.29Å
235F91.2Very high86.6Confident27 Ų2750 Ų5012%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-155.5-178.8-179.873.1-58.8000110.9G216 Q217 M237 G238 F240 I251 W254G216-F235 WeakPolarHBondContact O-CA 3.39Å; Q217-F235 HydrophobicContact CG-CB 4.04Å; F235-M237 VanDerWaalsContact C-N 3.26Å; F235-M237 HydrophobicContact CD2-CB 4.31Å; F235-M237 HydrophobicContact CE1-CB 4.4Å; F235-M237 HydrophobicContact CE2-CB 3.7Å; F235-M237 HydrophobicContact CE2-CG 4Å; F235-M237 HydrophobicContact CZ-CB 3.76Å; F235-M237 HydrophobicContact CZ-CG 4.49Å; F235-M237 PolarHBondContact O-N 3.19Å; F235-G238 VanDerWaalsContact CD1-O 3.25Å; F235-G238 WeakPolarHBondContact CD1-O 3.39Å; F235-G238 PolarHBondContact N-O 2.99Å; F235-G238 PolarHBondContact O-N 2.86Å; F235-G238 VanDerWaalsContact O-O 3.09Å; F235-F240 AromaticContact CD1-CD1 3.69Å; F235-F240 HydrophobicContact CD1-CD1 3.69Å; F235-F240 HydrophobicContact CD1-CE1 4.23Å; F235-F240 HydrophobicContact CE1-CB 4.49Å; F235-F240 AromaticContact CE1-CD1 3.92Å; F235-F240 HydrophobicContact CE1-CD1 3.92Å; F235-I251 HydrophobicContact CE1-CG2 4.11Å; F235-I251 HydrophobicContact CZ-CD1 4.41Å; F235-I251 HydrophobicContact CZ-CG2 4.1Å; F235-W254 WeakPolarHBondContact O-CZ2 3.47Å
236F89.4Confident85.2Confident30 Ų3049 Ų4913%0.13227%0.265CS..THydrogen-bonded Turntrans-64-21.1-171.458.2-94.4000115.3Y102 P104 F215 W254 Y302Y102-F236 WeakPolarHBondContact O-CB 3.44Å; P104-F236 HydrophobicContact CB-CD2 3.71Å; P104-F236 HydrophobicContact CB-CE2 3.64Å; P104-F236 HydrophobicContact CB-CZ 4.45Å; F215-F236 AromaticContact CD1-CE1 3.85Å; F215-F236 HydrophobicContact CD1-CE1 3.85Å; F215-F236 HydrophobicContact CE1-CE1 4.25Å; F236-W254 VanDerWaalsContact O-CD1 3.26Å; F236-W254 PolarHBondContact O-NE1 3.48Å; F236-Y302 HydrophobicContact CB-CE1 3.94Å
237M88.6Confident84Confident58 Ų5851 Ų5129%0.28627%0.265SS..THydrogen-bonded Turntrans-92.4-17174.6-62-143.476.800115.1F235 R253 W254 C308F235-M237 VanDerWaalsContact C-N 3.26Å; F235-M237 HydrophobicContact CD2-CB 4.31Å; F235-M237 HydrophobicContact CE1-CB 4.4Å; F235-M237 HydrophobicContact CE2-CB 3.7Å; F235-M237 HydrophobicContact CE2-CG 4Å; F235-M237 HydrophobicContact CZ-CB 3.76Å; F235-M237 HydrophobicContact CZ-CG 4.49Å; F235-M237 PolarHBondContact O-N 3.19Å; M237-R253 WeakPolarHBondContact O-CA 3.41Å; M237-W254 VanDerWaalsContact C-CD1 3.42Å; M237-W254 PolarHBondContact O-N 3.17Å; M237-W254 VanDerWaalsContact O-N 3.11Å; M237-C308 HydrophobicContact CE-CB 3.72Å; M237-C308 HydrophobicContact CG-CB 4.18Å
238G91.2Very high82.9Confident0 Ų057.9 Ų57.90%029%0.286CS..EExtended strand (participates in β ladder)trans160.8-154.7-173.300000115.4F235 H252 W254F235-G238 VanDerWaalsContact CD1-O 3.25Å; F235-G238 WeakPolarHBondContact CD1-O 3.39Å; F235-G238 PolarHBondContact N-O 2.99Å; F235-G238 PolarHBondContact O-N 2.86Å; F235-G238 VanDerWaalsContact O-O 3.09Å; G238-H252 VanDerWaalsContact CA-O 3.3Å; G238-H252 WeakPolarHBondContact CA-O 3.38Å; G238-W254 VanDerWaalsContact CA-CE2 3.43Å
239I92Very high82.3Confident0 Ų055.8 Ų55.80%028%0.28CS..EExtended strand (participates in β ladder)trans-109144.6174.2-70.3165000108.2L232 G233 I234 H252 W254 M257 I260 F295L232-I239 HydrophobicContact CD1-CG2 3.55Å; L232-I239 HydrophobicContact CG-CG2 4.46Å; G233-I239 CarbonylContact O-C 3.49Å; G233-I239 WeakPolarHBondContact O-CA 3.49Å; I234-I239 HydrophobicContact CG1-CG1 4.49Å; I239-H252 PolarHBondContact N-O 3.09Å; I239-H252 PolarHBondContact O-N 3.04Å; I239-W254 HydrophobicContact CD1-CH2 4.42Å; I239-W254 HydrophobicContact CD1-CZ3 4.17Å; I239-W254 HydrophobicContact CG1-CH2 3.99Å; I239-W254 HydrophobicContact CG1-CZ3 4.13Å; I239-M257 HydrophobicContact CB-CE 4.21Å; I239-M257 HydrophobicContact CB-SD 4.23Å; I239-M257 HydrophobicContact CD1-CE 3.9Å; I239-M257 HydrophobicContact CD1-SD 3.84Å; I239-M257 HydrophobicContact CG1-CE 4.05Å; I239-M257 HydrophobicContact CG1-SD 4.36Å; I239-I260 HydrophobicContact CD1-CD1 3.77Å; I239-I260 HydrophobicContact CD1-CG1 4.47Å; I239-F295 HydrophobicContact CD1-CB 4.39Å; I239-F295 HydrophobicContact CD1-CD2 3.34Å; I239-F295 HydrophobicContact CD1-CE2 3.82Å; I239-F295 HydrophobicContact CD1-CG 4.18Å; I239-F295 HydrophobicContact CG1-CD2 3.8Å; I239-F295 HydrophobicContact CG1-CE2 3.86Å; I239-F295 HydrophobicContact CG2-CE2 4.08Å
240F90.6Very high82.1Confident6 Ų657 Ų573%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-130.4150.6173.969.7-96.6000112.8Q217 I219 G233 F235 R242 A249 V250 I251Q217-F240 HydrophobicContact CB-CE1 4.07Å; Q217-F240 HydrophobicContact CB-CZ 4.22Å; Q217-F240 HydrophobicContact CG-CE1 3.89Å; Q217-F240 HydrophobicContact CG-CZ 4.28Å; I219-F240 HydrophobicContact CD1-CE2 4.42Å; I219-F240 HydrophobicContact CD1-CZ 4.02Å; I219-F240 HydrophobicContact CG1-CE2 4.46Å; I219-F240 HydrophobicContact CG1-CZ 3.9Å; G233-F240 PolarHBondContact N-O 2.84Å; G233-F240 PolarHBondContact O-N 3.31Å; F235-F240 AromaticContact CD1-CD1 3.69Å; F235-F240 HydrophobicContact CD1-CD1 3.69Å; F235-F240 HydrophobicContact CD1-CE1 4.23Å; F235-F240 HydrophobicContact CE1-CB 4.49Å; F235-F240 AromaticContact CE1-CD1 3.92Å; F235-F240 HydrophobicContact CE1-CD1 3.92Å; F240-R242 HydrophobicContact CD2-CB 4.16Å; F240-R242 HydrophobicContact CE2-CB 4.16Å; F240-A249 HydrophobicContact CB-CB 4.33Å; F240-A249 HydrophobicContact CD2-CB 4.17Å; F240-V250 CarbonylContact C-O 3.57Å; F240-V250 WeakPolarHBondContact CA-O 3.42Å; F240-I251 HydrophobicContact CB-CG1 4.04Å
241V89.8Confident81.9Confident24 Ų2461.1 Ų61.115%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-118.4108.2176.1-170.90000108.8V230 H231 L232 A249 V250 F280V230-V241 HydrophobicContact CB-CG1 4.2Å; V230-V241 HydrophobicContact CG2-CG1 4.03Å; H231-V241 WeakPolarHBondContact O-CA 3.24Å; L232-V241 HydrophobicContact CD1-CG2 4.06Å; V241-A249 VanDerWaalsContact O-CA 3.26Å; V241-A249 WeakPolarHBondContact O-CA 3.16Å; V241-V250 PolarHBondContact N-O 2.85Å; V241-V250 PolarHBondContact O-N 3.11Å; V241-F280 HydrophobicContact CG1-CE1 4.08Å; V241-F280 HydrophobicContact CG2-CE1 3.66Å; V241-F280 HydrophobicContact CG2-CZ 3.55Å
242R87.3Confident81.8Confident74 Ų7460.1 Ų60.128%0.27930%0.301SS..EExtended strand (participates in β ladder)trans-106120.7179.1-159.6-175-68.9-149.15108.3D213 H231 F240 A249D213-R242 IonicContact OD1-NH2 3.77Å; D213-R242 PolarHBondContact OD1-NH2 2.82Å; D213-R242 IonicContact OD2-CZ 2.75Å; D213-R242 IonicContact OD2-NH1 3.84Å; D213-R242 PolarHBondContact OD2-NH1 3.03Å; D213-R242 IonicContact OD2-NH2 3.38Å; D213-R242 PolarHBondContact OD2-NH2 2.64Å; H231-R242 HydrophobicContact CB-CB 4.45Å; H231-R242 WeakPolarHBondContact CB-O 3.47Å; H231-R242 PolarHBondContact N-O 3.24Å; H231-R242 PolarHBondContact O-N 3.43Å; F240-R242 HydrophobicContact CD2-CB 4.16Å; F240-R242 HydrophobicContact CE2-CB 4.16Å; R242-A249 HydrophobicContact CB-CB 4.21Å; R242-A249 HydrophobicContact CG-CB 4.32Å
243N80.9Confident81.6Confident54 Ų5467.1 Ų67.129%0.28933%0.328SS..EExtended strand (participates in β ladder)trans-72.1147.6174.6-169.1-34.5000109.4I245 G246N243-I245 PolarHBondContact O-N 2.86Å; N243-I245 VanDerWaalsContact O-N 3.14Å; N243-I245 PolarHBondContact OD1-N 3.4Å; N243-G246 PolarHBondContact O-N 3.1Å
244R69Low81.5Confident152 Ų15267.2 Ų67.257%0.57433%0.328SS*.THydrogen-bonded Turntrans-56.8-26.1176.7-75.7-177.5171.4-135-10.6113.5C229 H231 G246C229-R244 WeakPolarHBondContact O-CD 3.46Å; C229-R244 WeakPolarHBondContact O-CG 3.49Å; H231-R244 PolarHBondContact NE2-NE 2.69Å; H231-R244 PolarHBondContact NE2-NH2 3.09Å; R244-G246 PolarHBondContact O-N 2.75Å
245I63.3Low81.2Confident139 Ų13970.5 Ų70.571%0.71335%0.346SS*.THydrogen-bonded Turntrans-8833.3178.5-32.5177.7000112.5N243 R247N243-I245 PolarHBondContact O-N 2.86Å; N243-I245 VanDerWaalsContact O-N 3.14Å; N243-I245 PolarHBondContact OD1-N 3.4Å; I245-R247 PolarHBondContact O-N 3.18Å
246G56.2Low80.9Confident68 Ų6872 Ų7270%0.70136%0.355SS*.  trans64.52.5167.800000118.3N243 R244N243-G246 PolarHBondContact O-N 3.1Å; R244-G246 PolarHBondContact O-N 2.75Å
247R57.4Low80.7Confident195 Ų19570.5 Ų70.574%0.73635%0.348SS*.  trans-63.6154178-71.7-169.9175.2-164.3-0.8112I245 A249I245-R247 PolarHBondContact O-N 3.18Å; R247-A249 PolarHBondContact O-N 2.81Å
248Q59.6Low80.5Confident190 Ų19068.8 Ų68.889%0.88835%0.346SS*.  trans-41.4131177.8-73179.5-18.700112.2
249A74.2Confident80.2Confident37 Ų3773.5 Ų73.531%0.30637%0.371SS..  trans-74.9127.917800000110.4F240 V241 R242 R247 I251F240-A249 HydrophobicContact CB-CB 4.33Å; F240-A249 HydrophobicContact CD2-CB 4.17Å; V241-A249 VanDerWaalsContact O-CA 3.26Å; V241-A249 WeakPolarHBondContact O-CA 3.16Å; R242-A249 HydrophobicContact CB-CB 4.21Å; R242-A249 HydrophobicContact CG-CB 4.32Å; R247-A249 PolarHBondContact O-N 2.81Å; A249-I251 PolarHBondContact O-N 2.9Å
250V84.3Confident80.2Confident86 Ų8674.1 Ų74.152%0.52137%0.374SS..EExtended strand (participates in β ladder)trans-76.5119.6171.5-179.90000107.7F240 V241F240-V250 CarbonylContact C-O 3.57Å; F240-V250 WeakPolarHBondContact CA-O 3.42Å; V241-V250 PolarHBondContact N-O 2.85Å; V241-V250 PolarHBondContact O-N 3.11Å
251I87.6Confident80.2Confident93 Ų9376.6 Ų76.648%0.47739%0.389SS..EExtended strand (participates in β ladder)trans-105.7122.5-177.4-58.6172.8000109.8F235 F240 A249 R253F235-I251 HydrophobicContact CE1-CG2 4.11Å; F235-I251 HydrophobicContact CZ-CD1 4.41Å; F235-I251 HydrophobicContact CZ-CG2 4.1Å; F240-I251 HydrophobicContact CB-CG1 4.04Å; A249-I251 PolarHBondContact O-N 2.9Å; I251-R253 HydrophobicContact CG2-CG 4.49Å
252H88.2Confident80.4Confident30 Ų3078.5 Ų78.514%0.13940%0.397CS..EExtended strand (participates in β ladder)trans-102.8111171-55.5-84.1000108.3G238 I239 M257 L271G238-H252 VanDerWaalsContact CA-O 3.3Å; G238-H252 WeakPolarHBondContact CA-O 3.38Å; I239-H252 PolarHBondContact N-O 3.09Å; I239-H252 PolarHBondContact O-N 3.04Å; H252-M257 HydrophobicContact CB-CE 4.41Å; H252-M257 HydrophobicContact CB-CG 4.04Å; H252-M257 HydrophobicContact CB-SD 3.53Å; H252-M257 VanDerWaalsContact CB-SD 3.53Å; H252-M257 VanDerWaalsContact O-CE 3.29Å; H252-M257 WeakPolarHBondContact O-CE 3.22Å; H252-L271 HydrophobicContact CB-CD2 4.35Å
253R89.1Confident80.6Confident146 Ų14679.7 Ų79.755%0.55141%0.408SS*.EExtended strand (participates in β ladder)trans-77.2156.2-176.2-58.8178.1172.4-164.5-3.3111.2M237 I251 N255 D256M237-R253 WeakPolarHBondContact O-CA 3.41Å; I251-R253 HydrophobicContact CG2-CG 4.49Å; R253-N255 PolarHBondContact O-N 2.83Å; R253-D256 WeakPolarHBondContact CB-OD2 3.43Å; R253-D256 PolarHBondContact O-N 3.34Å
254W89.8Confident81.1Confident2 Ų284.3 Ų84.31%0.00843%0.426CS..THydrogen-bonded Turntrans-55.8-25.3178.2-64.8131.2000115.1I234 F235 F236 M237 G238 I239 M257 I260 R298 H299 Y302 T309I234-W254 HydrophobicContact CD1-CH2 3.61Å; I234-W254 HydrophobicContact CD1-CZ2 4.13Å; I234-W254 HydrophobicContact CG1-CH2 3.87Å; I234-W254 HydrophobicContact CG1-CZ2 4.03Å; F235-W254 WeakPolarHBondContact O-CZ2 3.47Å; F236-W254 VanDerWaalsContact O-CD1 3.26Å; F236-W254 PolarHBondContact O-NE1 3.48Å; M237-W254 VanDerWaalsContact C-CD1 3.42Å; M237-W254 PolarHBondContact O-N 3.17Å; M237-W254 VanDerWaalsContact O-N 3.11Å; G238-W254 VanDerWaalsContact CA-CE2 3.43Å; I239-W254 HydrophobicContact CD1-CH2 4.42Å; I239-W254 HydrophobicContact CD1-CZ3 4.17Å; I239-W254 HydrophobicContact CG1-CH2 3.99Å; I239-W254 HydrophobicContact CG1-CZ3 4.13Å; W254-M257 HydrophobicContact CD2-CE 4.19Å; W254-M257 HydrophobicContact CE3-CE 3.28Å; W254-M257 HydrophobicContact CH2-CE 4.39Å; W254-M257 HydrophobicContact CZ3-CE 3.4Å; W254-I260 HydrophobicContact CZ3-CD1 4.23Å; W254-R298 HydrophobicContact CH2-CB 4.5Å; W254-R298 HydrophobicContact CZ2-CB 4.45Å; W254-H299 AromaticContact CD2-CD2 3.87Å; W254-H299 HydrophobicContact CE3-CB 3.66Å; W254-H299 AromaticContact CE3-CD2 3.25Å; W254-H299 AromaticContact CE3-CG 3.64Å; W254-H299 HydrophobicContact CH2-CB 4.39Å; W254-H299 HydrophobicContact CZ3-CB 3.59Å; W254-H299 PolarHBondContact O-NE2 2.8Å; W254-Y302 AromaticContact CE2-CD2 3.55Å; W254-Y302 AromaticContact CZ2-CD2 3.78Å; W254-Y302 HydrophobicContact CZ2-CD2 3.78Å; W254-Y302 HydrophobicContact CZ2-CE2 4.06Å; W254-Y302 AromaticContact NE1-CD2 3.17Å; W254-Y302 AromaticContact NE1-CE2 3.94Å; W254-Y302 AromaticContact NE1-CG 3.67Å; W254-T309 HydrophobicContact CB-CG2 4.35Å
255N85.9Confident82.3Confident69 Ų6978.9 Ų78.937%0.36941%0.412SS..THydrogen-bonded Turntrans-78.7-22.8176.9-72.91.6000114R253 T309R253-N255 PolarHBondContact O-N 2.83Å; N255-T309 PolarHBondContact ND2-O 3.37Å; N255-T309 WeakPolarHBondContact OD1-CA 3.5Å; N255-T309 VanDerWaalsContact OD1-CB 3.24Å; N255-T309 WeakPolarHBondContact OD1-CB 3.12Å; N255-T309 PolarHBondContact OD1-O 3.48Å
256D85.1Confident83.7Confident58 Ų5873.4 Ų73.431%0.3139%0.385SS..THydrogen-bonded Turntrans-92.7-5.1-177.4-63.4-63.1000112.7R253 L271 I272 N273R253-D256 WeakPolarHBondContact CB-OD2 3.43Å; R253-D256 PolarHBondContact O-N 3.34Å; D256-L271 CarbonylContact O-C 3.55Å; D256-L271 WeakPolarHBondContact O-CA 3.3Å; D256-I272 PolarHBondContact O-N 2.93Å; D256-N273 PolarHBondContact OD1-ND2 2.79Å
257M84.8Confident85.5Confident0 Ų070.2 Ų70.20%035%0.351CS..EExtended strand (participates in β ladder)trans-111.4133.1-170.5-64.2-169.7-66.700113.2I239 H252 W254 V269 E270 L271 I272 H299I239-M257 HydrophobicContact CB-CE 4.21Å; I239-M257 HydrophobicContact CB-SD 4.23Å; I239-M257 HydrophobicContact CD1-CE 3.9Å; I239-M257 HydrophobicContact CD1-SD 3.84Å; I239-M257 HydrophobicContact CG1-CE 4.05Å; I239-M257 HydrophobicContact CG1-SD 4.36Å; H252-M257 HydrophobicContact CB-CE 4.41Å; H252-M257 HydrophobicContact CB-CG 4.04Å; H252-M257 HydrophobicContact CB-SD 3.53Å; H252-M257 VanDerWaalsContact CB-SD 3.53Å; H252-M257 VanDerWaalsContact O-CE 3.29Å; H252-M257 WeakPolarHBondContact O-CE 3.22Å; W254-M257 HydrophobicContact CD2-CE 4.19Å; W254-M257 HydrophobicContact CE3-CE 3.28Å; W254-M257 HydrophobicContact CH2-CE 4.39Å; W254-M257 HydrophobicContact CZ3-CE 3.4Å; M257-V269 HydrophobicContact CG-CG1 4.19Å; M257-V269 HydrophobicContact SD-CG1 3.66Å; M257-E270 WeakPolarHBondContact CA-O 3.44Å; M257-L271 HydrophobicContact CG-CD2 3.91Å; M257-I272 WeakPolarHBondContact O-CD1 3.41Å; M257-H299 PolarHBondContact O-CE1 2.95Å; M257-H299 VanDerWaalsContact O-CE1 3.28Å
258G83.7Confident87.1Confident22 Ų2262.8 Ų62.823%0.22733%0.326CS..EExtended strand (participates in β ladder)trans-83.6-113.1178.400000111.2E270 H299G258-E270 PolarHBondContact N-O 2.9Å; G258-H299 PolarHBondContact O-CE1 3.26Å
259N85.5Confident88.6Confident98 Ų9853.8 Ų53.852%0.52428%0.284SS..EExtended strand (participates in β ladder)trans-93.5156.1170.5-52.6-76.9000112.1T261 E270N259-T261 HydrophobicContact CB-CG2 4.14Å; N259-E270 VanDerWaalsContact CB-OE2 3.25Å; N259-E270 WeakPolarHBondContact CB-OE2 3.35Å; N259-E270 PolarHBondContact N-OE2 3.02Å; N259-E270 PolarHBondContact ND2-OE2 2.85Å; N259-E270 PolarHBondContact O-N 3.32Å
260I91.3Very high89.2Confident14 Ų1455.4 Ų55.47%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-121.1116.5172.3-60.4159.3000106.8I239 W254 L268 V269 F295 H299I239-I260 HydrophobicContact CD1-CD1 3.77Å; I239-I260 HydrophobicContact CD1-CG1 4.47Å; W254-I260 HydrophobicContact CZ3-CD1 4.23Å; I260-L268 WeakPolarHBondContact CA-O 3.49Å; I260-V269 HydrophobicContact CG1-CG1 4.4Å; I260-V269 HydrophobicContact CG1-CG2 4.5Å; I260-V269 HydrophobicContact CG2-CG2 4.38Å; I260-F295 HydrophobicContact CD1-CB 4.22Å; I260-F295 HydrophobicContact CG2-CB 3.88Å; I260-H299 HydrophobicContact CD1-CB 4.19Å
261T91.3Very high89.3Confident57 Ų5752.2 Ų52.235%0.3527%0.265SS..EExtended strand (participates in β ladder)trans-135.6-176.1-171.969.30000111.4N259 L268 S292N259-T261 HydrophobicContact CB-CG2 4.14Å; T261-L268 PolarHBondContact N-O 3.16Å; T261-L268 PolarHBondContact O-N 3.13Å; T261-L268 WeakPolarHBondContact OG1-CB 3.46Å; T261-S292 WeakPolarHBondContact O-CB 3.4Å
262H93.3Very high88.9Confident64 Ų6452.3 Ų52.330%0.29627%0.266SS..EExtended strand (participates in β ladder)trans-142149.6171.763.4-78.4000111.2T266 A288 S292H262-T266 CarbonylContact C-O 3.48Å; H262-T266 WeakPolarHBondContact CA-O 3.38Å; H262-T266 WeakPolarHBondContact CB-O 3.34Å; H262-A288 HydrophobicContact CB-CB 4.17Å; H262-S292 PolarHBondContact ND1-OG 2.76Å
263N92.1Very high87.9Confident99 Ų9956.2 Ų56.253%0.52929%0.288SS..EExtended strand (participates in β ladder)trans-132111.9172.1-1780.6000107.9S265 T266 L268N263-S265 PolarHBondContact O-N 3.48Å; N263-T266 PolarHBondContact N-O 2.81Å; N263-T266 WeakPolarHBondContact O-CB 3.42Å; N263-T266 PolarHBondContact O-N 2.98Å; N263-L268 HydrophobicContact CB-CD1 3.67Å
264K92.3Very high86.7Confident152 Ų15255 Ų5566%0.66129%0.286SS*.THydrogen-bonded Turntrans52.8-123.8-169-55.9172.6-174.2175.40110.2I285K264-I285 HydrophobicContact CB-CD1 4.38Å; K264-I285 HydrophobicContact CB-CG1 4.47Å
265S92.4Very high85.4Confident38 Ų3864.1 Ų64.127%0.26633%0.329SS..THydrogen-bonded Turntrans-90.47.1176.6520000113.7N263 T282N263-S265 PolarHBondContact O-N 3.48Å; S265-T282 WeakPolarHBondContact CB-O 3.4Å; S265-T282 PolarHBondContact O-N 3.49Å; S265-T282 PolarHBondContact O-OG1 2.99Å
266T93.1Very high84.8Confident24 Ų2465.8 Ų65.815%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-98.6126176.7-480000110.3H262 N263 L279 F280 H281H262-T266 CarbonylContact C-O 3.48Å; H262-T266 WeakPolarHBondContact CA-O 3.38Å; H262-T266 WeakPolarHBondContact CB-O 3.34Å; N263-T266 PolarHBondContact N-O 2.81Å; N263-T266 WeakPolarHBondContact O-CB 3.42Å; N263-T266 PolarHBondContact O-N 2.98Å; T266-L279 HydrophobicContact CG2-CB 3.69Å; T266-F280 CarbonylContact C-O 3.52Å; T266-F280 WeakPolarHBondContact CA-O 3.4Å; T266-H281 PolarHBondContact OG1-CD2 3.38Å; T266-H281 PolarHBondContact OG1-NE2 2.85Å; T266-H281 VanDerWaalsContact OG1-NE2 3.16Å
267I94Very high84.7Confident0 Ų066.3 Ų66.30%034%0.34CS..EExtended strand (participates in β ladder)trans-82.7138.2166.8-58.2162000108L232 V269 L279 F280 T282 A288 I291L232-I267 HydrophobicContact CD2-CD1 4.03Å; I267-V269 HydrophobicContact CG2-CG2 4.45Å; I267-L279 WeakPolarHBondContact O-CA 3.42Å; I267-F280 HydrophobicContact CB-CB 4.35Å; I267-F280 PolarHBondContact N-O 3.27Å; I267-F280 PolarHBondContact O-N 3.3Å; I267-T282 HydrophobicContact CD1-CG2 3.74Å; I267-T282 HydrophobicContact CG1-CG2 4.28Å; I267-A288 HydrophobicContact CG1-CB 4.02Å; I267-I291 HydrophobicContact CD1-CB 3.78Å; I267-I291 HydrophobicContact CD1-CD1 4.14Å; I267-I291 HydrophobicContact CD1-CG2 3.62Å
268L91.8Very high84.7Confident40 Ų4067.3 Ų67.321%0.20935%0.348CS..EExtended strand (participates in β ladder)trans-116.1127.5177.8-77.3133.7000109.5I260 T261 N263 L279I260-L268 WeakPolarHBondContact CA-O 3.49Å; T261-L268 PolarHBondContact N-O 3.16Å; T261-L268 PolarHBondContact O-N 3.13Å; T261-L268 WeakPolarHBondContact OG1-CB 3.46Å; N263-L268 HydrophobicContact CB-CD1 3.67Å; L268-L279 HydrophobicContact CD2-CD2 3.51Å; L268-L279 HydrophobicContact CG-CD2 4.21Å
269V90.3Very high85.1Confident1 Ų168.4 Ų68.41%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-120.3114.5172.2-178.50000108.8M257 I260 I267 L271 T277 A278 F280M257-V269 HydrophobicContact CG-CG1 4.19Å; M257-V269 HydrophobicContact SD-CG1 3.66Å; I260-V269 HydrophobicContact CG1-CG1 4.4Å; I260-V269 HydrophobicContact CG1-CG2 4.5Å; I260-V269 HydrophobicContact CG2-CG2 4.38Å; I267-V269 HydrophobicContact CG2-CG2 4.45Å; V269-L271 HydrophobicContact CG1-CD2 4.24Å; V269-T277 WeakPolarHBondContact O-CA 3.25Å; V269-A278 HydrophobicContact CB-CB 4.39Å; V269-A278 PolarHBondContact N-O 3.19Å; V269-A278 PolarHBondContact O-N 2.83Å; V269-F280 HydrophobicContact CG2-CD2 4.48Å; V269-F280 HydrophobicContact CG2-CE2 4.21Å
270E87.8Confident85.4Confident70 Ų7064.3 Ų64.333%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-82.1130.8176.5-64.8165.2-172.300110.3M257 G258 N259 T277M257-E270 WeakPolarHBondContact CA-O 3.44Å; G258-E270 PolarHBondContact N-O 2.9Å; N259-E270 VanDerWaalsContact CB-OE2 3.25Å; N259-E270 WeakPolarHBondContact CB-OE2 3.35Å; N259-E270 PolarHBondContact N-OE2 3.02Å; N259-E270 PolarHBondContact ND2-OE2 2.85Å; N259-E270 PolarHBondContact O-N 3.32Å; E270-T277 HydrophobicContact CG-CG2 4.09Å
271L85.8Confident85.5Confident19 Ų1966.6 Ų66.610%0.09934%0.337CS..EExtended strand (participates in β ladder)trans-104.6120.2175.5-57.3-178.1000110.7H252 D256 M257 V269 N273 K274 E276H252-L271 HydrophobicContact CB-CD2 4.35Å; D256-L271 CarbonylContact O-C 3.55Å; D256-L271 WeakPolarHBondContact O-CA 3.3Å; M257-L271 HydrophobicContact CG-CD2 3.91Å; V269-L271 HydrophobicContact CG1-CD2 4.24Å; L271-N273 VanDerWaalsContact C-N 3.28Å; L271-N273 PolarHBondContact O-N 3.11Å; L271-K274 HydrophobicContact CB-CB 4.22Å; L271-K274 HydrophobicContact CD1-CD 4.47Å; L271-E276 PolarHBondContact N-O 3.18Å
272I80.1Confident85.6Confident95 Ų9564.3 Ų64.349%0.48732%0.322SS..THydrogen-bonded Turntrans-59.3-40.2-173.9-64.4174.8000111.4D256 M257 K274D256-I272 PolarHBondContact O-N 2.93Å; M257-I272 WeakPolarHBondContact O-CD1 3.41Å; I272-K274 PolarHBondContact O-N 3.31Å
273N67Low85.3Confident113 Ų11366.8 Ų66.860%0.60434%0.338SS*.THydrogen-bonded Turntrans-92.811.6-166.2-65.8-33.2000114.2D256 L271D256-N273 PolarHBondContact OD1-ND2 2.79Å; L271-N273 VanDerWaalsContact C-N 3.28Å; L271-N273 PolarHBondContact O-N 3.11Å
274K63.5Low85.2Confident119 Ų11964.9 Ų64.952%0.51733%0.328SS..THydrogen-bonded Turntrans-144.9-19.9-163.4-81.8-145.3176.9-164.50118.6L271 I272 E276L271-K274 HydrophobicContact CB-CB 4.22Å; L271-K274 HydrophobicContact CD1-CD 4.47Å; I272-K274 PolarHBondContact O-N 3.31Å; K274-E276 HydrophobicContact CB-CB 4.03Å; K274-E276 HydrophobicContact CB-CG 4.22Å; K274-E276 HydrophobicContact CD-CB 4.26Å; K274-E276 HydrophobicContact CD-CG 4.07Å; K274-E276 WeakPolarHBondContact CD-OE2 3.48Å; K274-E276 WeakPolarHBondContact CE-OE2 3.03Å; K274-E276 IonicContact NZ-OE1 3.21Å; K274-E276 PolarHBondContact NZ-OE1 2.75Å; K274-E276 IonicContact NZ-OE2 3Å; K274-E276 PolarHBondContact NZ-OE2 3.15Å; K274-E276 PolarHBondContact O-N 3.38Å
275E62.6Low85.3Confident194 Ų19462.2 Ų62.291%0.90732%0.32SS*.SBendtrans59.5-11.3-163.2-54.5-171.7164.300115.4
276E73Confident85.2Confident104 Ų10464.2 Ų64.249%0.48633%0.325SS..  trans-64.6130.7169.9-68.8174.5-167.300111.8L271 K274L271-E276 PolarHBondContact N-O 3.18Å; K274-E276 HydrophobicContact CB-CB 4.03Å; K274-E276 HydrophobicContact CB-CG 4.22Å; K274-E276 HydrophobicContact CD-CB 4.26Å; K274-E276 HydrophobicContact CD-CG 4.07Å; K274-E276 WeakPolarHBondContact CD-OE2 3.48Å; K274-E276 WeakPolarHBondContact CE-OE2 3.03Å; K274-E276 IonicContact NZ-OE1 3.21Å; K274-E276 PolarHBondContact NZ-OE1 2.75Å; K274-E276 IonicContact NZ-OE2 3Å; K274-E276 PolarHBondContact NZ-OE2 3.15Å; K274-E276 PolarHBondContact O-N 3.38Å
277T82.9Confident85Confident70 Ų7063.6 Ų63.643%0.42932%0.321SS..EExtended strand (participates in β ladder)trans-105.1121.2165.741.10000109.7V269 E270V269-T277 WeakPolarHBondContact O-CA 3.25Å; E270-T277 HydrophobicContact CG-CG2 4.09Å
278A86.4Confident85Confident20 Ų2063.6 Ų63.617%0.16532%0.321CS..EExtended strand (participates in β ladder)trans-82.6126.6173.200000109.1V269 F280V269-A278 HydrophobicContact CB-CB 4.39Å; V269-A278 PolarHBondContact N-O 3.19Å; V269-A278 PolarHBondContact O-N 2.83Å; A278-F280 HydrophobicContact CB-CE2 3.75Å; A278-F280 HydrophobicContact CB-CZ 3.9Å
279L90.5Very high85.1Confident46 Ų4665.6 Ų65.624%0.24133%0.327CS..EExtended strand (participates in β ladder)trans-113140.6-179.7-24170.6000110.2N225 T266 I267 L268N225-L279 WeakPolarHBondContact OD1-CB 3.25Å; N225-L279 WeakPolarHBondContact OD1-CG 3.19Å; N225-L279 PolarHBondContact OD1-O 3.09Å; T266-L279 HydrophobicContact CG2-CB 3.69Å; I267-L279 WeakPolarHBondContact O-CA 3.42Å; L268-L279 HydrophobicContact CD2-CD2 3.51Å; L268-L279 HydrophobicContact CG-CD2 4.21Å
280F92.4Very high85.2Confident11 Ų1166.5 Ų66.55%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-136.3121.2179.3-55.7-78.8000110.5V222 K223 L232 V241 T266 I267 V269 A278V222-F280 HydrophobicContact CB-CB 4.19Å; V222-F280 HydrophobicContact CG1-CB 4.49Å; V222-F280 HydrophobicContact CG2-CB 3.93Å; V222-F280 HydrophobicContact CG2-CD1 3.94Å; V222-F280 HydrophobicContact CG2-CG 4.28Å; K223-F280 CarbonylContact O-C 3.53Å; K223-F280 WeakPolarHBondContact O-CA 2.99Å; L232-F280 HydrophobicContact CD1-CD1 4.28Å; L232-F280 HydrophobicContact CD1-CD2 4Å; L232-F280 HydrophobicContact CD1-CE1 4.14Å; L232-F280 HydrophobicContact CD1-CE2 3.85Å; L232-F280 HydrophobicContact CD1-CG 4.22Å; L232-F280 HydrophobicContact CD1-CZ 3.93Å; L232-F280 HydrophobicContact CD2-CB 4.1Å; L232-F280 HydrophobicContact CD2-CD2 3.96Å; L232-F280 HydrophobicContact CD2-CG 3.96Å; V241-F280 HydrophobicContact CG1-CE1 4.08Å; V241-F280 HydrophobicContact CG2-CE1 3.66Å; V241-F280 HydrophobicContact CG2-CZ 3.55Å; T266-F280 CarbonylContact C-O 3.52Å; T266-F280 WeakPolarHBondContact CA-O 3.4Å; I267-F280 HydrophobicContact CB-CB 4.35Å; I267-F280 PolarHBondContact N-O 3.27Å; I267-F280 PolarHBondContact O-N 3.3Å; V269-F280 HydrophobicContact CG2-CD2 4.48Å; V269-F280 HydrophobicContact CG2-CE2 4.21Å; A278-F280 HydrophobicContact CB-CE2 3.75Å; A278-F280 HydrophobicContact CB-CZ 3.9Å
281H93.1Very high85.5Confident63 Ų6363.1 Ų63.129%0.29232%0.315SS..EExtended strand (participates in β ladder)trans-89.6123.3-177.6-60.591.6000110.6V222 K223 D224 T266V222-H281 CarbonylContact C-O 3.58Å; V222-H281 WeakPolarHBondContact CA-O 3.25Å; K223-H281 HydrophobicContact CB-CB 4.21Å; K223-H281 PolarHBondContact N-O 2.83Å; K223-H281 PolarHBondContact O-N 2.93Å; D224-H281 PolarHBondContact O-ND1 2.99Å; T266-H281 PolarHBondContact OG1-CD2 3.38Å; T266-H281 PolarHBondContact OG1-NE2 2.85Å; T266-H281 VanDerWaalsContact OG1-NE2 3.16Å
282T93.1Very high85.9Confident8 Ų862.4 Ų62.45%0.04931%0.312CS..  trans-95.8165.9169.562.30000110.5V222 S265 I267 D284 A288 I291V222-T282 HydrophobicContact CG1-CG2 4.13Å; S265-T282 WeakPolarHBondContact CB-O 3.4Å; S265-T282 PolarHBondContact O-N 3.49Å; S265-T282 PolarHBondContact O-OG1 2.99Å; I267-T282 HydrophobicContact CD1-CG2 3.74Å; I267-T282 HydrophobicContact CG1-CG2 4.28Å; T282-D284 VanDerWaalsContact C-N 3.32Å; T282-D284 PolarHBondContact O-N 3.47Å; T282-D284 PolarHBondContact OG1-O 3.19Å; T282-A288 HydrophobicContact CG2-CB 4.23Å; T282-A288 WeakPolarHBondContact OG1-CB 3.18Å; T282-A288 PolarHBondContact OG1-N 3.18Å; T282-I291 HydrophobicContact CG2-CD1 3.98Å
283D88.3Confident86.5Confident116 Ų11662 Ų6262%0.6230%0.304SS*.SBendtrans-72.6-23.8179.7-54.6-59.3000113.2K223K223-D283 IonicContact NZ-OD1 2.88Å; K223-D283 PolarHBondContact NZ-OD1 3.25Å
284D89.8Confident87.8Confident60 Ų6057 Ų5732%0.32128%0.277SS..SBendtrans-143.1161.1177.880.983.8000114.4T282 E286 N287 A288T282-D284 VanDerWaalsContact C-N 3.32Å; T282-D284 PolarHBondContact O-N 3.47Å; T282-D284 PolarHBondContact OG1-O 3.19Å; D284-E286 VanDerWaalsContact OD1-CA 3.26Å; D284-E286 WeakPolarHBondContact OD1-CA 3.46Å; D284-E286 VanDerWaalsContact OD1-CB 3.3Å; D284-E286 WeakPolarHBondContact OD1-CB 3.34Å; D284-E286 PolarHBondContact OD1-N 3Å; D284-N287 PolarHBondContact O-N 3.14Å; D284-N287 PolarHBondContact OD1-N 3.44Å; D284-N287 VanDerWaalsContact OD2-CB 3.23Å; D284-N287 WeakPolarHBondContact OD2-CB 3.33Å; D284-A288 PolarHBondContact O-N 2.64Å
285I93Very high89.3Confident96 Ų9651.3 Ų51.349%0.49225%0.253SS..Hα-helixtrans-70.4-30.6-176.2-58.8-180000112.4K264 K289K264-I285 HydrophobicContact CB-CD1 4.38Å; K264-I285 HydrophobicContact CB-CG1 4.47Å; I285-K289 WeakPolarHBondContact O-CB 3.41Å; I285-K289 PolarHBondContact O-N 2.77Å
286E90.3Very high90.7Very high80 Ų8043.9 Ų43.937%0.37422%0.224SC..Hα-helixtrans-73.8-33177.9-53.3-147.7124.800111.5K88 F89 D284 K289 Y290K88-E286 IonicContact NZ-OE1 3.18Å; K88-E286 PolarHBondContact NZ-OE1 3.41Å; K88-E286 IonicContact NZ-OE2 3.55Å; F89-E286 WeakPolarHBondContact CE1-OE2 3.4Å; D284-E286 VanDerWaalsContact OD1-CA 3.26Å; D284-E286 WeakPolarHBondContact OD1-CA 3.46Å; D284-E286 VanDerWaalsContact OD1-CB 3.3Å; D284-E286 WeakPolarHBondContact OD1-CB 3.34Å; D284-E286 PolarHBondContact OD1-N 3Å; E286-K289 PolarHBondContact O-N 3.08Å; E286-Y290 WeakPolarHBondContact O-CB 3.43Å; E286-Y290 PolarHBondContact O-N 3.35Å
287N90.3Very high91.7Very high11 Ų1141.9 Ų41.96%0.05922%0.219CC..Hα-helixtrans-70.3-47175.3-163.919.7000112.2D284 K289 Y290 I291D284-N287 PolarHBondContact O-N 3.14Å; D284-N287 PolarHBondContact OD1-N 3.44Å; D284-N287 VanDerWaalsContact OD2-CB 3.23Å; D284-N287 WeakPolarHBondContact OD2-CB 3.33Å; N287-K289 PolarHBondContact O-N 2.97Å; N287-Y290 PolarHBondContact O-N 2.82Å; N287-Y290 VanDerWaalsContact O-N 3.11Å; N287-I291 WeakPolarHBondContact O-CG1 3.42Å; N287-I291 PolarHBondContact O-N 2.99Å; N287-I291 VanDerWaalsContact OD1-CD1 3.31Å; N287-I291 WeakPolarHBondContact OD1-CD1 3.15Å
288A93.4Very high92.1Very high0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-54.9-40.8171.500000112.1H262 I267 T282 D284 S292H262-A288 HydrophobicContact CB-CB 4.17Å; I267-A288 HydrophobicContact CG1-CB 4.02Å; T282-A288 HydrophobicContact CG2-CB 4.23Å; T282-A288 WeakPolarHBondContact OG1-CB 3.18Å; T282-A288 PolarHBondContact OG1-N 3.18Å; D284-A288 PolarHBondContact O-N 2.64Å; A288-S292 VanDerWaalsContact O-CB 3.27Å; A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.17Å; A288-S292 PolarHBondContact O-OG 3.27Å
289K93.2Very high92.4Very high81 Ų8138.5 Ų38.535%0.35220%0.195SC..Hα-helixtrans-70.4-32.7178.3-176.9165.6-170.1163.10113.8I285 E286 N287 S292 R293I285-K289 WeakPolarHBondContact O-CB 3.41Å; I285-K289 PolarHBondContact O-N 2.77Å; E286-K289 PolarHBondContact O-N 3.08Å; N287-K289 PolarHBondContact O-N 2.97Å; K289-S292 PolarHBondContact O-OG 2.9Å; K289-R293 WeakPolarHBondContact O-CB 3.36Å; K289-R293 VanDerWaalsContact O-CD 3.28Å; K289-R293 WeakPolarHBondContact O-CD 3.22Å; K289-R293 WeakPolarHBondContact O-CG 3.25Å
290Y92.9Very high92.5Very high20 Ų2041.3 Ų41.38%0.07821%0.205CC..Hα-helixtrans-72.7-53.2173.3169.4-106.9000111.2R74 W75 F220 E286 N287 S292 R293 L294R74-Y290 WeakPolarHBondContact CA-OH 3.48Å; R74-Y290 HydrophobicContact CB-CD2 4.44Å; R74-Y290 HydrophobicContact CB-CE2 3.87Å; R74-Y290 HydrophobicContact CG-CD1 4.39Å; R74-Y290 HydrophobicContact CG-CD2 4.43Å; R74-Y290 HydrophobicContact CG-CE1 4.12Å; R74-Y290 HydrophobicContact CG-CE2 4.16Å; W75-Y290 VanDerWaalsContact CD1-OH 3.25Å; W75-Y290 PolarHBondContact N-OH 2.72Å; F220-Y290 HydrophobicContact CE1-CE1 4.01Å; F220-Y290 HydrophobicContact CZ-CE1 4.33Å; E286-Y290 WeakPolarHBondContact O-CB 3.43Å; E286-Y290 PolarHBondContact O-N 3.35Å; N287-Y290 PolarHBondContact O-N 2.82Å; N287-Y290 VanDerWaalsContact O-N 3.11Å; Y290-S292 PolarHBondContact O-N 2.91Å; Y290-R293 WeakPolarHBondContact O-CB 3.38Å; Y290-R293 PolarHBondContact O-N 3.45Å; Y290-L294 HydrophobicContact CE1-CD2 4.4Å; Y290-L294 PolarHBondContact O-N 2.77Å
291I93.9Very high92.5Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-61.5-48.1-177.2-62.5167000110.8F220 I267 T282 N287 R293 L294 F295F220-I291 HydrophobicContact CB-CD1 3.75Å; F220-I291 HydrophobicContact CB-CG1 4.46Å; F220-I291 HydrophobicContact CD1-CD1 3.65Å; F220-I291 HydrophobicContact CD1-CG1 3.68Å; F220-I291 HydrophobicContact CD2-CG1 4.43Å; F220-I291 HydrophobicContact CD2-CG2 4.27Å; F220-I291 HydrophobicContact CE1-CD1 4.48Å; F220-I291 HydrophobicContact CE1-CG1 4.02Å; F220-I291 HydrophobicContact CG-CD1 3.73Å; F220-I291 HydrophobicContact CG-CG1 3.9Å; F220-I291 HydrophobicContact CG-CG2 4.39Å; I267-I291 HydrophobicContact CD1-CB 3.78Å; I267-I291 HydrophobicContact CD1-CD1 4.14Å; I267-I291 HydrophobicContact CD1-CG2 3.62Å; T282-I291 HydrophobicContact CG2-CD1 3.98Å; N287-I291 WeakPolarHBondContact O-CG1 3.42Å; N287-I291 PolarHBondContact O-N 2.99Å; N287-I291 VanDerWaalsContact OD1-CD1 3.31Å; N287-I291 WeakPolarHBondContact OD1-CD1 3.15Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.49Å; I291-L294 PolarHBondContact O-N 3.32Å; I291-F295 HydrophobicContact CG2-CD1 3.8Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 HydrophobicContact CG2-CE1 3.52Å; I291-F295 HydrophobicContact CG2-CE2 4.03Å; I291-F295 HydrophobicContact CG2-CG 4.18Å; I291-F295 HydrophobicContact CG2-CZ 3.68Å; I291-F295 VanDerWaalsContact O-CB 3.31Å; I291-F295 WeakPolarHBondContact O-CB 3.37Å; I291-F295 VanDerWaalsContact O-CD1 3.24Å; I291-F295 WeakPolarHBondContact O-CD1 3.27Å; I291-F295 WeakPolarHBondContact O-CG 3.23Å; I291-F295 PolarHBondContact O-N 2.69Å
292S94.1Very high92.5Very high4 Ų438.7 Ų38.73%0.02819%0.193CC..Hα-helixtrans-59.6-35.4177.756.70000113.1T261 H262 A288 K289 Y290 A296T261-S292 WeakPolarHBondContact O-CB 3.4Å; H262-S292 PolarHBondContact ND1-OG 2.76Å; A288-S292 VanDerWaalsContact O-CB 3.27Å; A288-S292 WeakPolarHBondContact O-CB 3.43Å; A288-S292 PolarHBondContact O-N 3.17Å; A288-S292 PolarHBondContact O-OG 3.27Å; K289-S292 PolarHBondContact O-OG 2.9Å; Y290-S292 PolarHBondContact O-N 2.91Å; S292-A296 VanDerWaalsContact O-CB 3.29Å; S292-A296 WeakPolarHBondContact O-CB 3.2Å; S292-A296 PolarHBondContact O-N 2.82Å
293R93.1Very high92.3Very high87 Ų8743.9 Ų43.933%0.32822%0.215SC..Hα-helixtrans-69.8-46.3173.9-77.6175.7177170.7-0.5112.9E77 K289 Y290 I291 F295 A296 T297E77-R293 WeakPolarHBondContact OE1-CD 3.44Å; E77-R293 IonicContact OE1-CZ 2.79Å; E77-R293 IonicContact OE1-NE 3.92Å; E77-R293 IonicContact OE1-NH1 2.67Å; E77-R293 PolarHBondContact OE1-NH1 3.41Å; E77-R293 IonicContact OE2-NH1 2.66Å; E77-R293 PolarHBondContact OE2-NH1 3.04Å; K289-R293 WeakPolarHBondContact O-CB 3.36Å; K289-R293 VanDerWaalsContact O-CD 3.28Å; K289-R293 WeakPolarHBondContact O-CD 3.22Å; K289-R293 WeakPolarHBondContact O-CG 3.25Å; Y290-R293 WeakPolarHBondContact O-CB 3.38Å; Y290-R293 PolarHBondContact O-N 3.45Å; I291-R293 VanDerWaalsContact C-N 3.27Å; I291-R293 PolarHBondContact O-N 3.49Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 3.21Å; R293-A296 PolarHBondContact O-N 2.86Å; R293-T297 VanDerWaalsContact O-CB 3.31Å; R293-T297 WeakPolarHBondContact O-CB 3.36Å; R293-T297 PolarHBondContact O-N 3.36Å; R293-T297 PolarHBondContact O-OG1 3.37Å
294L93.7Very high92.3Very high7 Ų745 Ų454%0.03722%0.216CC..Hα-helixtrans-58.5-44176.9176.562.1000110.4W75 M100 E218 F220 Y290 I291 T297 R298W75-L294 HydrophobicContact CG-CD1 4.27Å; M100-L294 HydrophobicContact CE-CD1 3.84Å; E218-L294 WeakPolarHBondContact OE1-CD2 3.16Å; F220-L294 HydrophobicContact CE2-CD2 4.03Å; F220-L294 HydrophobicContact CZ-CD2 3.65Å; Y290-L294 HydrophobicContact CE1-CD2 4.4Å; Y290-L294 PolarHBondContact O-N 2.77Å; I291-L294 PolarHBondContact O-N 3.32Å; L294-T297 PolarHBondContact O-N 3.2Å; L294-R298 PolarHBondContact O-N 2.97Å
295F94.6Very high92.2Very high0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-66.7-47.4179.8-7726000111.7F220 L232 I234 I239 I260 I291 R293 T297 R298 H299F220-F295 AromaticContact CD2-CE1 3.84Å; F220-F295 HydrophobicContact CD2-CE1 3.84Å; F220-F295 HydrophobicContact CD2-CZ 4.05Å; F220-F295 AromaticContact CE2-CE1 3.76Å; F220-F295 HydrophobicContact CE2-CE1 3.76Å; F220-F295 HydrophobicContact CE2-CZ 4.42Å; L232-F295 HydrophobicContact CD1-CE2 4.25Å; L232-F295 HydrophobicContact CD2-CE2 3.72Å; L232-F295 HydrophobicContact CD2-CZ 4.12Å; L232-F295 HydrophobicContact CG-CE2 3.73Å; L232-F295 HydrophobicContact CG-CZ 3.94Å; I234-F295 HydrophobicContact CB-CD1 4.09Å; I234-F295 HydrophobicContact CB-CE1 3.61Å; I234-F295 HydrophobicContact CB-CE2 4.47Å; I234-F295 HydrophobicContact CB-CZ 3.81Å; I234-F295 HydrophobicContact CD1-CB 4.06Å; I234-F295 HydrophobicContact CD1-CD1 3.44Å; I234-F295 VanDerWaalsContact CD1-CD1 3.44Å; I234-F295 HydrophobicContact CD1-CD2 4.43Å; I234-F295 HydrophobicContact CD1-CE1 3.91Å; I234-F295 HydrophobicContact CD1-CG 3.72Å; I234-F295 HydrophobicContact CG1-CD1 4.38Å; I234-F295 HydrophobicContact CG1-CE1 4.39Å; I234-F295 HydrophobicContact CG2-CD1 4.01Å; I234-F295 HydrophobicContact CG2-CE1 3.39Å; I234-F295 HydrophobicContact CG2-CZ 3.98Å; I239-F295 HydrophobicContact CD1-CB 4.39Å; I239-F295 HydrophobicContact CD1-CD2 3.34Å; I239-F295 HydrophobicContact CD1-CE2 3.82Å; I239-F295 HydrophobicContact CD1-CG 4.18Å; I239-F295 HydrophobicContact CG1-CD2 3.8Å; I239-F295 HydrophobicContact CG1-CE2 3.86Å; I239-F295 HydrophobicContact CG2-CE2 4.08Å; I260-F295 HydrophobicContact CD1-CB 4.22Å; I260-F295 HydrophobicContact CG2-CB 3.88Å; I291-F295 HydrophobicContact CG2-CD1 3.8Å; I291-F295 HydrophobicContact CG2-CD2 4.24Å; I291-F295 HydrophobicContact CG2-CE1 3.52Å; I291-F295 HydrophobicContact CG2-CE2 4.03Å; I291-F295 HydrophobicContact CG2-CG 4.18Å; I291-F295 HydrophobicContact CG2-CZ 3.68Å; I291-F295 VanDerWaalsContact O-CB 3.31Å; I291-F295 WeakPolarHBondContact O-CB 3.37Å; I291-F295 VanDerWaalsContact O-CD1 3.24Å; I291-F295 WeakPolarHBondContact O-CD1 3.27Å; I291-F295 WeakPolarHBondContact O-CG 3.23Å; I291-F295 PolarHBondContact O-N 2.69Å; R293-F295 VanDerWaalsContact C-N 3.26Å; R293-F295 PolarHBondContact O-N 3.21Å; F295-T297 VanDerWaalsContact C-N 3.3Å; F295-T297 PolarHBondContact O-N 3.41Å; F295-R298 PolarHBondContact O-N 3.3Å; F295-H299 WeakPolarHBondContact O-CB 3.47Å; F295-H299 PolarHBondContact O-N 3.17Å
296A93.3Very high91.8Very high38 Ų3846.7 Ų46.731%0.31422%0.221SC..Hα-helixtrans-63-34.8174.400000112.8S292 R293 K300S292-A296 VanDerWaalsContact O-CB 3.29Å; S292-A296 WeakPolarHBondContact O-CB 3.2Å; S292-A296 PolarHBondContact O-N 2.82Å; R293-A296 PolarHBondContact O-N 2.86Å; A296-K300 VanDerWaalsContact O-CB 3.28Å; A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.02Å
297T93.1Very high91.4Very high61 Ų6142.9 Ų42.937%0.37420%0.203SC..Hα-helixtrans-67-44.8176.4-56.50000111.5M100 F101 R293 L294 F295 K300 F301M100-T297 HydrophobicContact CE-CG2 4.4Å; F101-T297 HydrophobicContact CE1-CG2 4.37Å; F101-T297 HydrophobicContact CZ-CG2 4.12Å; R293-T297 VanDerWaalsContact O-CB 3.31Å; R293-T297 WeakPolarHBondContact O-CB 3.36Å; R293-T297 PolarHBondContact O-N 3.36Å; R293-T297 PolarHBondContact O-OG1 3.37Å; L294-T297 PolarHBondContact O-N 3.2Å; F295-T297 VanDerWaalsContact C-N 3.3Å; F295-T297 PolarHBondContact O-N 3.41Å; T297-K300 PolarHBondContact O-N 3.24Å; T297-F301 WeakPolarHBondContact O-CB 3.47Å; T297-F301 PolarHBondContact O-N 2.98Å
298R92.7Very high90.4Very high4 Ų444.2 Ų44.22%0.01521%0.212CC..Hα-helixtrans-66.1-42.1174-84.4-176.9175.7144.37.1112.5M100 F101 E218 I234 W254 L294 F295 K300 F301 Y302M100-R298 VanDerWaalsContact O-CZ 3.3Å; M100-R298 PolarHBondContact O-NE 3.29Å; M100-R298 PolarHBondContact O-NH2 2.86Å; F101-R298 HydrophobicContact CD1-CG 3.79Å; F101-R298 HydrophobicContact CE1-CB 4.49Å; F101-R298 HydrophobicContact CE1-CG 3.75Å; E218-R298 IonicContact OE2-CZ 3.8Å; E218-R298 IonicContact OE2-NH1 2.64Å; E218-R298 PolarHBondContact OE2-NH1 2.93Å; E218-R298 IonicContact OE2-NH2 3.42Å; E218-R298 PolarHBondContact OE2-NH2 2.85Å; I234-R298 HydrophobicContact CD1-CB 3.77Å; I234-R298 HydrophobicContact CD1-CG 4.29Å; W254-R298 HydrophobicContact CH2-CB 4.5Å; W254-R298 HydrophobicContact CZ2-CB 4.45Å; L294-R298 PolarHBondContact O-N 2.97Å; F295-R298 PolarHBondContact O-N 3.3Å; R298-K300 PolarHBondContact O-N 3.46Å; R298-F301 PolarHBondContact O-N 3.36Å; R298-Y302 HydrophobicContact CB-CD2 4.23Å; R298-Y302 HydrophobicContact CB-CE2 3.89Å; R298-Y302 HydrophobicContact CG-CE2 4.12Å; R298-Y302 WeakPolarHBondContact O-CD2 3.42Å; R298-Y302 PolarHBondContact O-N 2.95Å
299H92.3Very high88.9Confident15 Ų1545.3 Ų45.37%0.06922%0.219CC..Hα-helixtrans-58.1-47.7174.2-175.1-156.4000111.7W254 M257 G258 I260 F295 F301 K303W254-H299 AromaticContact CD2-CD2 3.87Å; W254-H299 HydrophobicContact CE3-CB 3.66Å; W254-H299 AromaticContact CE3-CD2 3.25Å; W254-H299 AromaticContact CE3-CG 3.64Å; W254-H299 HydrophobicContact CH2-CB 4.39Å; W254-H299 HydrophobicContact CZ3-CB 3.59Å; W254-H299 PolarHBondContact O-NE2 2.8Å; M257-H299 PolarHBondContact O-CE1 2.95Å; M257-H299 VanDerWaalsContact O-CE1 3.28Å; G258-H299 PolarHBondContact O-CE1 3.26Å; I260-H299 HydrophobicContact CD1-CB 4.19Å; F295-H299 WeakPolarHBondContact O-CB 3.47Å; F295-H299 PolarHBondContact O-N 3.17Å; H299-F301 PolarHBondContact O-N 2.97Å; H299-K303 WeakPolarHBondContact O-CB 3.48Å; H299-K303 PolarHBondContact O-N 3.23Å
300K91.9Very high87.1Confident106 Ų10648.3 Ų48.346%0.46123%0.234SC..Hα-helixtrans-55.8-49173.9176.3-175.2172.8-167.50111.1A296 T297 R298 Q304A296-K300 VanDerWaalsContact O-CB 3.28Å; A296-K300 WeakPolarHBondContact O-CB 3.39Å; A296-K300 PolarHBondContact O-N 3.02Å; T297-K300 PolarHBondContact O-N 3.24Å; R298-K300 PolarHBondContact O-N 3.46Å; K300-Q304 HydrophobicContact CG-CG 4.49Å; K300-Q304 VanDerWaalsContact O-CB 3.29Å; K300-Q304 WeakPolarHBondContact O-CB 3.48Å; K300-Q304 VanDerWaalsContact O-CG 3.22Å; K300-Q304 WeakPolarHBondContact O-CG 3.4Å; K300-Q304 PolarHBondContact O-N 2.83Å
301F92.9Very high84.8Confident18 Ų1854.9 Ų54.98%0.07927%0.266CS..Hα-helixtrans-60-55.7-179.7178.3-88.8000112.7H60 Y61 F101 T297 R298 H299 K303 Q304 N305 I307H60-F301 HydrophobicContact CB-CE2 4.31Å; H60-F301 AromaticContact CD2-CE2 3.97Å; H60-F301 VanDerWaalsContact O-CE2 3.25Å; H60-F301 WeakPolarHBondContact O-CE2 3.39Å; Y61-F301 HydrophobicContact CD1-CE1 4.48Å; Y61-F301 AromaticContact CD1-CZ 3.81Å; Y61-F301 HydrophobicContact CD1-CZ 3.81Å; Y61-F301 HydrophobicContact CE1-CE1 4.44Å; Y61-F301 AromaticContact CE1-CZ 3.86Å; Y61-F301 HydrophobicContact CE1-CZ 3.86Å; F101-F301 HydrophobicContact CB-CD1 3.74Å; F101-F301 HydrophobicContact CB-CE1 3.44Å; F101-F301 VanDerWaalsContact CB-CE1 3.44Å; F101-F301 HydrophobicContact CB-CE2 4.26Å; F101-F301 HydrophobicContact CB-CG 4.29Å; F101-F301 HydrophobicContact CB-CZ 3.73Å; F101-F301 HydrophobicContact CD1-CB 3.62Å; F101-F301 AromaticContact CD1-CD1 3.48Å; F101-F301 HydrophobicContact CD1-CD1 3.48Å; F101-F301 VanDerWaalsContact CD1-CD1 3.48Å; F101-F301 AromaticContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CD2 3.9Å; F101-F301 HydrophobicContact CD1-CE1 4.11Å; F101-F301 HydrophobicContact CD1-CE2 4.45Å; F101-F301 AromaticContact CD1-CG 3.37Å; F101-F301 HydrophobicContact CD1-CG 3.37Å; F101-F301 HydrophobicContact CD2-CD2 4.03Å; F101-F301 HydrophobicContact CD2-CE2 4.03Å; F101-F301 HydrophobicContact CD2-CG 4.34Å; F101-F301 HydrophobicContact CD2-CZ 4.34Å; F101-F301 HydrophobicContact CE1-CB 3.51Å; F101-F301 HydrophobicContact CE1-CD1 4.27Å; F101-F301 HydrophobicContact CE1-CD2 4.07Å; F101-F301 AromaticContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE1-CG 3.7Å; F101-F301 HydrophobicContact CE2-CD2 4.2Å; F101-F301 HydrophobicContact CG-CB 4.45Å; F101-F301 AromaticContact CG-CD1 3.7Å; F101-F301 HydrophobicContact CG-CD1 3.7Å; F101-F301 AromaticContact CG-CD2 3.89Å; F101-F301 HydrophobicContact CG-CD2 3.89Å; F101-F301 AromaticContact CG-CE1 3.83Å; F101-F301 HydrophobicContact CG-CE1 3.83Å; F101-F301 AromaticContact CG-CE2 4Å; F101-F301 HydrophobicContact CG-CE2 4Å; F101-F301 AromaticContact CG-CG 3.74Å; F101-F301 HydrophobicContact CG-CG 3.74Å; F101-F301 AromaticContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CG-CZ 3.98Å; F101-F301 HydrophobicContact CZ-CB 4.26Å; F101-F301 HydrophobicContact CZ-CD2 4.22Å; F101-F301 HydrophobicContact CZ-CG 4.3Å; T297-F301 WeakPolarHBondContact O-CB 3.47Å; T297-F301 PolarHBondContact O-N 2.98Å; R298-F301 PolarHBondContact O-N 3.36Å; H299-F301 PolarHBondContact O-N 2.97Å; F301-K303 VanDerWaalsContact C-N 3.33Å; F301-K303 PolarHBondContact O-N 3.26Å; F301-Q304 PolarHBondContact O-N 3.49Å; F301-N305 WeakPolarHBondContact CD2-ND2 3.37Å; F301-N305 VanDerWaalsContact CE2-ND2 3.27Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.29Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.49Å; F301-N305 PolarHBondContact O-N 3.28Å; F301-N305 PolarHBondContact O-ND2 2.71Å; F301-I307 HydrophobicContact CD1-CD1 4.44Å; F301-I307 HydrophobicContact CE1-CD1 3.66Å; F301-I307 HydrophobicContact CZ-CD1 4.34Å
302Y92.2Very high82Confident1 Ų159.8 Ų59.80%0.00430%0.3CS..Hα-helixtrans-66-37.1-176.5-61.7-58.8000111.6F101 Y102 F236 W254 R298 K306 I307F101-Y302 HydrophobicContact CB-CE1 4.38Å; Y102-Y302 PolarHBondContact N-OH 3.09Å; Y102-Y302 WeakPolarHBondContact O-CE1 3.36Å; Y102-Y302 PolarHBondContact O-OH 3.24Å; F236-Y302 HydrophobicContact CB-CE1 3.94Å; W254-Y302 AromaticContact CE2-CD2 3.55Å; W254-Y302 AromaticContact CZ2-CD2 3.78Å; W254-Y302 HydrophobicContact CZ2-CD2 3.78Å; W254-Y302 HydrophobicContact CZ2-CE2 4.06Å; W254-Y302 AromaticContact NE1-CD2 3.17Å; W254-Y302 AromaticContact NE1-CE2 3.94Å; W254-Y302 AromaticContact NE1-CG 3.67Å; R298-Y302 HydrophobicContact CB-CD2 4.23Å; R298-Y302 HydrophobicContact CB-CE2 3.89Å; R298-Y302 HydrophobicContact CG-CE2 4.12Å; R298-Y302 WeakPolarHBondContact O-CD2 3.42Å; R298-Y302 PolarHBondContact O-N 2.95Å; Y302-K306 CarbonylContact O-C 3.58Å; Y302-K306 WeakPolarHBondContact O-CA 3.23Å; Y302-K306 PolarHBondContact O-N 3.39Å; Y302-I307 HydrophobicContact CD1-CB 3.94Å; Y302-I307 HydrophobicContact CD1-CD1 4.05Å; Y302-I307 HydrophobicContact CD1-CG2 3.75Å; Y302-I307 HydrophobicContact CE1-CG2 4.34Å; Y302-I307 PolarHBondContact O-N 3.29Å
303K88.9Confident79.2Confident117 Ų11767.1 Ų67.151%0.50934%0.339SS..Hα-helixtrans-68.7-33176-169.6169.9-175.9168.80113.8H299 F301H299-K303 WeakPolarHBondContact O-CB 3.48Å; H299-K303 PolarHBondContact O-N 3.23Å; F301-K303 VanDerWaalsContact C-N 3.33Å; F301-K303 PolarHBondContact O-N 3.26Å
304Q89.6Confident76.2Confident138 Ų13866.5 Ų66.565%0.64535%0.348SS*.Hα-helixtrans-75.6-40.9175.8-76.1-177.6-45.400112.1K300 F301 K306K300-Q304 HydrophobicContact CG-CG 4.49Å; K300-Q304 VanDerWaalsContact O-CB 3.29Å; K300-Q304 WeakPolarHBondContact O-CB 3.48Å; K300-Q304 VanDerWaalsContact O-CG 3.22Å; K300-Q304 WeakPolarHBondContact O-CG 3.4Å; K300-Q304 PolarHBondContact O-N 2.83Å; F301-Q304 PolarHBondContact O-N 3.49Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 3.06Å
305N86.9Confident73.3Confident69 Ų6971.7 Ų71.737%0.36938%0.382SS..SBendtrans-84.74.1179.6-65.3-56.4000113.8F301 I307F301-N305 WeakPolarHBondContact CD2-ND2 3.37Å; F301-N305 VanDerWaalsContact CE2-ND2 3.27Å; F301-N305 WeakPolarHBondContact CE2-ND2 3.29Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.49Å; F301-N305 PolarHBondContact O-N 3.28Å; F301-N305 PolarHBondContact O-ND2 2.71Å; N305-I307 HydrophobicContact CB-CD1 3.76Å; N305-I307 HydrophobicContact CB-CG1 3.95Å; N305-I307 PolarHBondContact O-N 3.44Å
306K84.9Confident70.4Confident124 Ų12476.8 Ų76.854%0.53942%0.415SS..  trans58.8-1.6-173.7-60.9-176.3176.7-176.20116.8Y302 Q304 C308 T309Y302-K306 CarbonylContact O-C 3.58Å; Y302-K306 WeakPolarHBondContact O-CA 3.23Å; Y302-K306 PolarHBondContact O-N 3.39Å; Q304-K306 VanDerWaalsContact C-N 3.26Å; Q304-K306 PolarHBondContact O-N 3.06Å; K306-C308 PolarHBondContact O-N 3.42Å; K306-C308 VanDerWaalsContact O-N 3.14Å; K306-T309 VanDerWaalsContact C-OG1 3.27Å; K306-T309 VanDerWaalsContact CA-OG1 3.24Å; K306-T309 WeakPolarHBondContact CA-OG1 3.14Å; K306-T309 PolarHBondContact O-N 3.01Å; K306-T309 PolarHBondContact O-OG1 3.1Å
307I82.1Confident67.6Low0 Ų080.4 Ų80.40%044%0.436CS..THydrogen-bonded Turntrans-47.6119.7178.4-64.1164.9000109.9P104 W108 F301 Y302 N305 T309P104-I307 HydrophobicContact CG-CG2 4.06Å; W108-I307 HydrophobicContact CD2-CG1 4.23Å; W108-I307 HydrophobicContact CE3-CD1 4.25Å; W108-I307 HydrophobicContact CE3-CG1 3.71Å; W108-I307 HydrophobicContact CH2-CB 4.39Å; W108-I307 HydrophobicContact CH2-CG1 3.66Å; W108-I307 HydrophobicContact CZ2-CG1 4.17Å; W108-I307 HydrophobicContact CZ3-CD1 4.3Å; W108-I307 HydrophobicContact CZ3-CG1 3.41Å; W108-I307 VanDerWaalsContact CZ3-CG1 3.41Å; F301-I307 HydrophobicContact CD1-CD1 4.44Å; F301-I307 HydrophobicContact CE1-CD1 3.66Å; F301-I307 HydrophobicContact CZ-CD1 4.34Å; Y302-I307 HydrophobicContact CD1-CB 3.94Å; Y302-I307 HydrophobicContact CD1-CD1 4.05Å; Y302-I307 HydrophobicContact CD1-CG2 3.75Å; Y302-I307 HydrophobicContact CE1-CG2 4.34Å; Y302-I307 PolarHBondContact O-N 3.29Å; N305-I307 HydrophobicContact CB-CD1 3.76Å; N305-I307 HydrophobicContact CB-CG1 3.95Å; N305-I307 PolarHBondContact O-N 3.44Å; I307-T309 PolarHBondContact O-N 3.3Å
308C69.5Low64.6Low38 Ų3884.9 Ų84.926%0.25746%0.455SS..THydrogen-bonded Turntrans58.114.3179.2-66.70000116.7M237 K306M237-C308 HydrophobicContact CE-CB 3.72Å; M237-C308 HydrophobicContact CG-CB 4.18Å; K306-C308 PolarHBondContact O-N 3.42Å; K306-C308 VanDerWaalsContact O-N 3.14Å
309T61.4Low61.6Low23 Ų2395 Ų9514%0.14149%0.494CS..THydrogen-bonded Turntrans-101.6-10.3177.9650000114.7W254 N255 K306 I307 Q311W254-T309 HydrophobicContact CB-CG2 4.35Å; N255-T309 PolarHBondContact ND2-O 3.37Å; N255-T309 WeakPolarHBondContact OD1-CA 3.5Å; N255-T309 VanDerWaalsContact OD1-CB 3.24Å; N255-T309 WeakPolarHBondContact OD1-CB 3.12Å; N255-T309 PolarHBondContact OD1-O 3.48Å; K306-T309 VanDerWaalsContact C-OG1 3.27Å; K306-T309 VanDerWaalsContact CA-OG1 3.24Å; K306-T309 WeakPolarHBondContact CA-OG1 3.14Å; K306-T309 PolarHBondContact O-N 3.01Å; K306-T309 PolarHBondContact O-OG1 3.1Å; I307-T309 PolarHBondContact O-N 3.3Å; T309-Q311 PolarHBondContact O-N 3.46Å
310E54.3Low58.6Low144 Ų144105.3 Ų105.367%0.67353%0.532SS*.SBendtrans-67131.6177.9-56.9-147.7141.200110.6
311Q44.9Very low55.7Low159 Ų159107.4 Ų107.474%0.74354%0.544SS*.  trans-65.5135.2166.6-69.5-178.6-4.400108T309 N313T309-Q311 PolarHBondContact O-N 3.46Å; Q311-N313 PolarHBondContact O-N 2.99Å
312S36.2Very low52.6Low102 Ų102112.5 Ų112.571%0.71358%0.578SS**  trans-64.2100.8171.354.30000109.1S314S312-S314 PolarHBondContact O-N 3.25Å; S312-S314 PolarHBondContact O-OG 2.97Å
313N33.9Very low49.4Very low158 Ų158118.4 Ų118.485%0.84561%0.614SS**  trans-71.648.3165.4-78-34.7000110.8Q311Q311-N313 PolarHBondContact O-N 2.99Å
314S30.3Very low46.4Very low75 Ų75125.2 Ų125.252%0.52464%0.637SS.*PPolyproline II helixtrans-56.2130.6154.551.20000107.5S312S312-S314 PolarHBondContact O-N 3.25Å; S312-S314 PolarHBondContact O-OG 2.97Å
315P32.7Very low43.4Very low115 Ų115123.6 Ų123.675%0.74764%0.641SS**PPolyproline II helixtrans-54.8138.9170.125.1-33.5000108.6
316P34.9Very low40.5Very low107 Ų107131.4 Ų131.470%0.69567%0.665SS**PPolyproline II helixtrans-58.9128.9-171.623.2-33.6000109.7I318P316-I318 PolarHBondContact O-N 3.31Å; P316-I318 VanDerWaalsContact O-N 3.13Å
317P34.2Very low37.6Very low115 Ų115130.7 Ų130.775%0.74768%0.676SS**PPolyproline II helixtrans-58.9123.3179.223.6-32.9000108.8R319P317-R319 PolarHBondContact O-N 2.78Å
318I29.7Very low34.7Very low154 Ų154136.3 Ų136.379%0.7972%0.715SS**  trans-66.396.7-172.1-62.6178.7000109P316 R320P316-I318 PolarHBondContact O-N 3.31Å; P316-I318 VanDerWaalsContact O-N 3.13Å; I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 2.95Å
319R30.4Very low32.8Very low217 Ų217142.5 Ų142.582%0.81975%0.745SS**  trans-75.873.5-170.3-166-173.8-168.7-172.35.3111.9P317 Q321P317-R319 PolarHBondContact O-N 2.78Å; R319-Q321 HydrophobicContact CG-CG 4.46Å; R319-Q321 PolarHBondContact O-N 3.28Å
320R29.3Very low31.4Very low232 Ų232147.4 Ų147.488%0.87578%0.777SS**  trans-71.9105.9160.4-67.7-166.8178.4-150.80.3108I318I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 2.95Å
321Q29.6Very low30.2Very low150 Ų150150.8 Ų150.870%0.70178%0.784SS**  trans-69.3137.1-176.1-64.5174.2-74.800111.8R319R319-Q321 HydrophobicContact CG-CG 4.46Å; R319-Q321 PolarHBondContact O-N 3.28Å
322P29Very low29.4Very low125 Ų125150 Ų15081%0.81278%0.78SS**  trans-67.7130.3148.6-14.130.3000109.3
323T24.2Very low28.8Very low124 Ų124152.7 Ų152.776%0.76178%0.781SS**  trans-45.8137.6178.744.80000115.9
324W27.2Very low29.1Very low261 Ų261149.7 Ų149.799%0.98977%0.77SS**  trans-67.1139.1146.5-107.9-35000109.7
325S24.9Very low29.2Very low103 Ų103157 Ų15772%0.7279%0.788SS**  trans-126.898.4161.2-71.90000107.8
326R26.1Very low29.2Very low234 Ų234158.1 Ų158.188%0.88379%0.786SS**  7399.4105.5-179-170.3-76.5-111.34.1111.9
327S23.9Very low28.5Very low109 Ų109160.8 Ų160.876%0.76279%0.794SS**  -174168.487.2520000110.7
328S23.2Very low29.1Very low117 Ų117160.5 Ų160.582%0.81879%0.792SS**  cis-159.7169.6-12.938.20000111.9
329L29.3Very low30Very low169 Ų169158.3 Ų158.389%0.88579%0.788SS**  trans-59.2173.2-175.3-79.3165.5000117.6
330P31.9Very low29.8Very low125 Ų125154 Ų15481%0.81279%0.786SS**  trans-96.3-173.7-152.340.3-39.2000115.7
331R28.1Very low30.1Very low216 Ų216150.9 Ų150.982%0.81578%0.78SS**  trans-119.2128.5-174.5-128.3-165.1178.6-172.4-0.1113
332Q27.7Very low30.1Very low141 Ų141149.1 Ų149.166%0.65978%0.78SS**  trans70.3145.1158.3-55.7-171.6-17.200117.2
333Q25Very low30.2Very low159 Ų159150.5 Ų150.574%0.74378%0.775SS**  cis-168.6176.1-9.5-112.6176.9-2.900107.4
334P39.6Very low30.4Very low96 Ų96151.1 Ų151.162%0.62378%0.783SS**  cis-134.9159.5-26.136.3-19.6000115
335Y32.4Very low30.5Very low228 Ų228141.8 Ų141.889%0.89477%0.768SS**  trans56.9141.1158-85.9-98000118.9
336I32.5Very low30.6Very low138 Ų138146.3 Ų146.371%0.70878%0.777SS**  cis-153.2135.438.2-67.4-178.7000112
337L21Very low30.9Very low164 Ų164142.2 Ų142.286%0.85977%0.768SS**  trans66.8162.3156.4-67.8170.3000122.6
338P47Very low31.3Very low108 Ų108146.6 Ų146.670%0.70177%0.769SS**  trans-127.4-154.3-146.949.4-34.9000114.6
339P47.3Very low31.7Very low108 Ų108144.5 Ų144.570%0.70176%0.755SS**  cis-146.3-177.14.133.8-6.9000121.8
340V27.5Very low31.7Very low128 Ų128144.2 Ų144.278%0.77675%0.749SS**  trans84.1106.8150.8-85.50000128.3
341H34.7Very low31.7Very low165 Ų165143.7 Ų143.776%0.76474%0.743SS**  95.9137.5120.2-107.237.6000127.5
342V30.2Very low31.8Very low114 Ų114141.2 Ų141.269%0.69174%0.741SS**  trans80.8136.6165.6177.50000118.6
343Q31.1Very low31.9Very low154 Ų154140.4 Ų140.472%0.7275%0.745SS**  cis100.5143.47.6-61145.9-105.800116.3
344C28.2Very low32.2Very low137 Ų137138.8 Ų138.893%0.92675%0.752SS**  cis-149.7-161.9-7.6-142.70000109
345G29.7Very low31.8Very low64 Ų64142 Ų14266%0.6676%0.759SS**  cis173.1173.9-2.100000114.5
346E26.3Very low31.7Very low198 Ų198137.3 Ų137.393%0.92575%0.749SS**  trans78.4166.4160.4-51.4-140.4121.300125.1
347H31.3Very low31.4Very low148 Ų148136.8 Ų136.869%0.68576%0.757SS**  trans-164.2169.5-133-122.1-102.7000119.8
348Y32.3Very low31.9Very low202 Ų202136 Ų13679%0.79275%0.753SS**  trans69.4162.3156.8-67.8-54.7000121.1
349S32.2Very low30.8Very low73 Ų73140.5 Ų140.551%0.5176%0.761SS.*  cis-167149.9-12.4-1120000114.6
350E29.9Very low29.8Very low163 Ų163144.1 Ų144.176%0.76277%0.769SS**  trans64.4165.8138.2-65.5167.172.900122.4
351T32.3Very low29.7Very low113 Ų113141.7 Ų141.769%0.69377%0.769SS**  cis-158.8161-13.117.70000116.1
352H30.2Very low29.2Very low165 Ų165140.6 Ų140.676%0.76477%0.769SS**  trans32.2125.9151.2-73.8-67.1000129.3
353T29.9Very low29.1Very low123 Ų123143.6 Ų143.676%0.75578%0.776SS**  80.7143.1128.155.70000127.7
354S31.6Very low29Very low125 Ų125145.3 Ų145.387%0.87478%0.784SS**  trans103.117714678.30000120.1
355Q30.9Very low29Very low165 Ų165143.1 Ų143.177%0.77178%0.775SS**  trans-134.5166.4-138-110.6-173-96.400116.5
356D28.6Very low29.1Very low128 Ų128147.2 Ų147.268%0.68478%0.781SS**  trans64.4122.6154.5-59.5-5.8000122
357S28.1Very low29.2Very low127 Ų127147.3 Ų147.389%0.88877%0.774SS**  163.7165127.7-75.10000113.1
358I29.8Very low29.1Very low149 Ų149145.7 Ų145.776%0.76478%0.779SS**  trans-121.2138.3-166.5-64.9161.6000111.4
359F25Very low28.9Very low201 Ų201142.8 Ų142.888%0.88278%0.777SS**  -171.1166.5126.3-115.1-82000112.7
360H27Very low28.8Very low185 Ų185145.1 Ų145.186%0.85679%0.793SS**  trans-94.8155.2-174.1-77.910.2000114.4
361G24.5Very low28.7Very low76 Ų76145.1 Ų145.178%0.78479%0.793SS**  trans-179.3114.3164.800000114.9
362N24.4Very low28.5Very low143 Ų143146.2 Ų146.277%0.76579%0.794SS**  trans-21.3148.5148.5-98.447.2000115.6
363E27.6Very low28.4Very low177 Ų177143 Ų14383%0.82779%0.79SS**  cis-141.816220.5-62.7-168.6141.200115.5
364E28.8Very low28.3Very low190 Ų190143.9 Ų143.989%0.88879%0.79SS**  trans-69.8144.2-177.3-52.3171.1117.200115.9
365A28Very low28Very low91 Ų91144.2 Ų144.275%0.75278%0.782SS**  trans-162.3150.3145.600000112.8
366L31.7Very low27.9Very low149 Ų149143.6 Ų143.678%0.7878%0.783SS**  trans78.8105.8162-56.1179.2000120.4
367Y29.8Very low27.8Very low200 Ų200143.6 Ų143.678%0.78478%0.783SS**  trans58.7115.1147.1-71-88.5000119.1
368C28.3Very low27.8Very low115 Ų115147.2 Ų147.278%0.77778%0.778SS**  -162.5114.853.8-105.80000114.6
369N28.2Very low27.8Very low141 Ų141146.7 Ų146.775%0.75478%0.777SS**  trans15.4117.6155.4-62.2-2.5000121.2
370S29.9Very low27.9Very low121 Ų121144.6 Ų144.685%0.84677%0.774SS**  -150.9112.910845.80000110.3
371H28.4Very low28Very low163 Ų163139.8 Ų139.876%0.75578%0.775SS**  trans-105128.2-174-102.5-53.6000112.9
372N28Very low28.2Very low137 Ų137142.6 Ų142.673%0.73378%0.777SS**  trans56.7136.8134.3-61.518.9000121.9
373S27.1Very low28.4Very low97 Ų97141.5 Ų141.568%0.67878%0.775SS**  trans-59.5160.5149.347.10000113.3
374L28.1Very low28.4Very low142 Ų142138.2 Ų138.274%0.74377%0.768SS**  178.2144.1104.9-90.1178.1000113.3
375D26.1Very low28.3Very low132 Ų132136.8 Ų136.871%0.70677%0.766SS**  trans62148.5139.2-72.2-18.2000127.1
376L28.1Very low28.3Very low151 Ų151135.7 Ų135.779%0.79176%0.763SS**  trans94.5111.5142.1-112.171.3000122.2
377N27.9Very low28.2Very low128 Ų128134 Ų13468%0.68476%0.764SS**  trans-44.3149.1165.3-47.6-65.5000115.4
378Y27.8Very low28Very low203 Ų203130.1 Ų130.180%0.79676%0.761SS**  177.1151.994.2-103.9-72.6000114.7
379L29Very low27.9Very low139 Ų139130 Ų13073%0.72876%0.76SS**  trans64.9133.6149.7-84.4155.5000122.8
380N28.2Very low27.8Very low156 Ų156127.6 Ų127.683%0.83476%0.755SS**  trans28126.1145.3-67.1-3.3000121.5
381G28.6Very low27.6Very low84 Ų84127.3 Ų127.387%0.86675%0.747SS**  trans-162.783.8165.700000114.3
382T29.1Very low27.5Very low135 Ų135128.2 Ų128.283%0.82875%0.752SS**  trans-85.2150.7172.740.10000113.1
383V28.2Very low27.4Very low121 Ų121126.6 Ų126.673%0.73375%0.751SS**  trans80101.2141.3160.90000119.5
384T27.3Very low27.3Very low108 Ų108129 Ų12966%0.66376%0.761SS**  trans78146.5131.766.30000124.9
385N27.7Very low27.2Very low159 Ų159129.4 Ų129.485%0.8576%0.764SS**  trans76.4140.4139.1-71.2-9.9000122.3
386G27.5Very low27.3Very low68 Ų68128 Ų12870%0.70177%0.765SS**  trans88.1134.2168.600000114.4
387S28.7Very low27.3Very low113 Ų113127.9 Ų127.979%0.7976%0.764SS**  cis54.8126.112-149.40000113.3
388V26Very low27.2Very low120 Ų120129.3 Ų129.373%0.72777%0.772SS**  cis-144.7172.438.8-152.80000111.1
389C27.1Very low27.3Very low111 Ų111124.7 Ų124.775%0.7577%0.768SS**  trans82148.8155.2-66.40000120.2
390S26.2Very low27.3Very low92 Ų92123.2 Ų123.264%0.64377%0.769SS**  cis177150.6-32.3540000110.6
391V24.1Very low27.4Very low114 Ų114124.5 Ų124.569%0.69177%0.77SS**  trans67.4123.9159.5-176.60000113.7
392H26.5Very low27.6Very low183 Ų183124.5 Ų124.585%0.84776%0.756SS**  -141.9141.465.2-92.4-86.1000115.5
393S25.7Very low27.7Very low103 Ų103126.7 Ų126.772%0.7276%0.755SS**  trans-88.1154.2163-44.30000110.9
394V25.8Very low27.8Very low147 Ų147127.2 Ų127.289%0.89175%0.752SS**  -157.8122.2126-99.60000110.7
395N26.5Very low27.9Very low151 Ų151130.1 Ų130.181%0.80776%0.758SS**  trans-84.3159151.4-77.7-30.3000108.3
396S26.6Very low27.8Very low102 Ų102126.2 Ų126.271%0.71375%0.748SS**  145.7130.1119.2-66.60000115.1
397L28Very low27.8Very low148 Ų148128.6 Ų128.678%0.77575%0.754SS**  trans66136.2145.2-58.6167.4000117.3
398N27Very low29.1Very low159 Ų159128.7 Ų128.785%0.8575%0.752SS**  -153171.564.7-125.7-24.9000114.9
399C30.2Very low29.1Very low105 Ų105128.8 Ų128.871%0.70975%0.753SS**  trans-127.5161.1-168.5-53.70000114.3
400S27.5Very low29.3Very low108 Ų108128.1 Ų128.176%0.75575%0.749SS**  trans-153111149.643.10000108.8
401Q31.8Very low29.3Very low184 Ų184129 Ų12986%0.8676%0.755SS**  75.4121.884-76.8-174.71.300113.2
402S31.5Very low29.5Very low83 Ų83130.6 Ų130.658%0.5876%0.76SS**  cis-146.3-149-3-68.60000108.8
403F31.1Very low29.6Very low182 Ų182129.7 Ų129.780%0.79876%0.761SS**  cis-165162.39.1-104.7-40.1000106.7
404I30.6Very low29.7Very low132 Ų132129.3 Ų129.368%0.67776%0.758SS**  cis-156.6-160.3-7.1-159.1161.1000109.5
405Q29.5Very low30.2Very low168 Ų168130 Ų13079%0.78576%0.755SS**  trans-52.6164177.3-75.7176.8-56.200119.3
406A26.9Very low30.8Very low78 Ų78128.5 Ų128.565%0.64575%0.753SS**  cis-171.6168.3-12.200000114.8
407S27.5Very low30.7Very low118 Ų118126.8 Ų126.883%0.82575%0.752SS**  trans85.7152.9144.3-73.40000121.9
408P55.9Low30.8Very low114 Ų114124.9 Ų124.974%0.7475%0.751SS**  trans-138.6-160.8-148.529-1.8000115.8
409V25.8Very low30.9Very low122 Ų122123.8 Ų123.874%0.73975%0.745SS**  trans112.1122.1146.4-175.80000120
410S29.7Very low31Very low98 Ų98124.7 Ų124.769%0.68574%0.742SS**  trans78.5137.7143.573.60000126.4
411S27.6Very low31.2Very low110 Ų110128 Ų12877%0.76975%0.747SS**  93.8147.3128.568.80000122.5
412N28.1Very low31.1Very low148 Ų148130.4 Ų130.479%0.79175%0.748SS**  trans-100.4162.8177.1-48.9-84.8000110.4
413L29.1Very low31Very low164 Ų164130.6 Ų130.686%0.85976%0.755SS**  174.7145.6119.8-94.7163.4000115.9
414S26.6Very low30.8Very low94 Ų94128.9 Ų128.966%0.65775%0.754SS**  trans31.7116.2150.160.80000124.4
415I37.1Very low30.7Very low162 Ų162132.3 Ų132.383%0.83176%0.76SS**  6.3127.9116.7-55.9172000114.7
416P38.8Very low30.8Very low119 Ų119131.4 Ų131.477%0.77376%0.759SS**  -154.8174.666.242.6-23.1000119.1
417G25.5Very low31Very low66 Ų66131.9 Ų131.968%0.6876%0.756SS**  88.3135.9129.800000122.3
418S29Very low31.1Very low108 Ų108131 Ų13176%0.75575%0.75SS**  trans-1.1146.9135.352.30000119.3
419D29Very low30.2Very low136 Ų136133.2 Ų133.273%0.72775%0.75SS**  cis-168.9170.56.7-119.4-37.5000112.9
420I32.6Very low30.6Very low125 Ų125137.9 Ų137.964%0.64175%0.754SS**  trans38.4108.9143.1-62.8158000118.1
421M31.8Very low31Very low178 Ų178139.6 Ų139.688%0.87775%0.751SS**  -159.1171.181.2-99-52.4172.900113.8
422R29.8Very low31.2Very low233 Ų233139.4 Ų139.488%0.87975%0.75SS**  trans-124.1149.2-175.7-72.8-178.7168.485.7-1.8114.8
423A28.2Very low31.4Very low88 Ų88136.8 Ų136.873%0.72775%0.748SS**  trans-173.2134.413200000108.6
424D28.1Very low31.6Very low145 Ų145136.6 Ų136.678%0.77575%0.747SS**SBendcis-144.1123.8-10.4-87.7-41.1000110.5
425Y28.2Very low32Very low205 Ų205139.9 Ų139.980%0.80476%0.755SS**  trans-157.2128.4159.5-160.2-101.5000109.6P427Y425-P427 HydrophobicContact CD1-CG 4.2Å; Y425-P427 HydrophobicContact CE1-CG 4.36Å
426I31.9Very low31.9Very low148 Ų148137.5 Ų137.576%0.75975%0.748SS**  trans-121.8105-172.9-56.3178.1000111.2
427P31.2Very low31.8Very low88 Ų88137.3 Ų137.357%0.57175%0.747SS**  trans-117.3116.2159.233.1-20000111.3Y425Y425-P427 HydrophobicContact CD1-CG 4.2Å; Y425-P427 HydrophobicContact CE1-CG 4.36Å
428S29.6Very low32.2Very low101 Ų101139.7 Ų139.771%0.70675%0.753SS**  trans-142.6101.2170.156.90000109.2
429H37.2Very low32.5Very low159 Ų159145.4 Ų145.474%0.73676%0.76SS**  59.9129.266.7-74.4-77.7000115.3
430R34.8Very low33.4Very low221 Ų221149.6 Ų149.683%0.83477%0.765SS**  174.7143.7120.9-80.6-159.7176.9-163.5-4.1107.5
431H37.9Very low33.9Very low133 Ų133149.4 Ų149.462%0.61677%0.772SS**  cis-154.7137.8-19.5-91.8156.6000105.8
432S31.5Very low34.4Very low106 Ų106147.1 Ų147.174%0.74177%0.768SS**  73.1105.366-51.40000113.8
433A32.3Very low35.7Very low93 Ų93140 Ų14077%0.76975%0.752SS**  trans-130.1115.817100000110.8
434I32.3Very low37.2Very low161 Ų161140.3 Ų140.383%0.82674%0.742SS**  trans23.3100.6159.3-48177.6000116.7V436I434-V436 HydrophobicContact CG2-CG2 4.19Å
435I35.2Very low38.4Very low162 Ų162141.9 Ų141.983%0.83174%0.738SS**PPolyproline II helixtrans-89.8125.7159.7-63.3176.1000108.3
436V36.1Very low39.7Very low112 Ų112137.2 Ų137.268%0.67972%0.724SS**PPolyproline II helixtrans-89.2148.3176.2-177.50000108.7I434 S438I434-V436 HydrophobicContact CG2-CG2 4.19Å; V436-S438 PolarHBondContact O-N 3.32Å
437P35.7Very low41.5Very low115 Ų115132.9 Ų132.975%0.74770%0.704SS**PPolyproline II helixtrans-55.3136.6-172.3-29.536.7000114.5Y439P437-Y439 PolarHBondContact O-N 3.39Å
438S34.3Very low42.6Very low116 Ų116131.7 Ų131.781%0.81170%0.695SS**PPolyproline II helixtrans-55.4123.8172.4-47.70000110.4V436 R440V436-S438 PolarHBondContact O-N 3.32Å; S438-R440 PolarHBondContact O-N 3.18Å
439Y35.7Very low43.9Very low228 Ų228130.9 Ų130.989%0.89468%0.681SS**PPolyproline II helixtrans-56.2130171.9-121.2-102.3000109.3P437P437-Y439 PolarHBondContact O-N 3.39Å
440R46.9Very low44.5Very low224 Ų224131 Ų13185%0.84568%0.675SS**PPolyproline II helixtrans-65.1139.4165.6-76.1-167.5178.6-154.21.9108.3S438 T442S438-R440 PolarHBondContact O-N 3.18Å; R440-T442 PolarHBondContact O-N 3.18Å
441P44.1Very low45.1Very low122 Ų122127.4 Ų127.479%0.79267%0.668SS**PPolyproline II helixtrans-54.9134.7162.6-21.833.1000109.5
442T42.2Very low45.7Very low129 Ų129128.8 Ų128.879%0.79168%0.677SS**PPolyproline II helixtrans-60.9139.1162.938.50000108.9R440R440-T442 PolarHBondContact O-N 3.18Å
443P55.5Low46.2Very low84 Ų84132.6 Ų132.655%0.54568%0.68SS.*PPolyproline II helixtrans-60.7146.5176.427.2-34.6000110.5T447 V448P443-T447 HydrophobicContact CB-CG2 4.33Å; P443-V448 HydrophobicContact CB-CG2 4.15Å; P443-V448 HydrophobicContact CG-CG2 3.81Å
444D59.6Low46.5Very low94 Ų94138.9 Ų138.950%0.50368%0.683SS.*PPolyproline II helixtrans-68.4154.1175.162.4-55.2000111.5E446 T447 V448D444-E446 VanDerWaalsContact C-N 3.27Å; D444-E446 PolarHBondContact O-N 3.14Å; D444-T447 PolarHBondContact O-N 2.96Å; D444-T447 WeakPolarHBondContact OD1-CB 3.2Å; D444-T447 PolarHBondContact OD1-OG1 2.68Å; D444-T447 PolarHBondContact OD2-OG1 2.79Å; D444-V448 PolarHBondContact O-N 3.22Å
445Y54.1Low46.5Very low179 Ų179134.6 Ų134.670%0.70268%0.679SS**Hα-helixtrans-56.9-38.1-173.1176.7-108.6000112.9V448 M449Y445-V448 PolarHBondContact O-N 3.37Å; Y445-M449 HydrophobicContact CD1-CG 4.39Å; Y445-M449 HydrophobicContact CD2-CG 4.19Å; Y445-M449 HydrophobicContact CE1-CG 4.12Å; Y445-M449 HydrophobicContact CE2-CG 3.88Å; Y445-M449 HydrophobicContact CE2-SD 4.19Å; Y445-M449 HydrophobicContact CG-CG 4.43Å; Y445-M449 WeakPolarHBondContact O-CB 3.12Å; Y445-M449 VanDerWaalsContact O-CG 3.23Å; Y445-M449 WeakPolarHBondContact O-CG 3.37Å; Y445-M449 PolarHBondContact O-N 2.74Å
446E56Low46.4Very low107 Ų107134.3 Ų134.350%0.568%0.678SS.*Hα-helixtrans-60.3-46174.1-91-131.877.500112.5D444 V448 M449 R450D444-E446 VanDerWaalsContact C-N 3.27Å; D444-E446 PolarHBondContact O-N 3.14Å; E446-V448 VanDerWaalsContact C-N 3.34Å; E446-V448 PolarHBondContact O-N 2.84Å; E446-M449 PolarHBondContact O-N 2.8Å; E446-R450 WeakPolarHBondContact O-CB 3.45Å; E446-R450 WeakPolarHBondContact O-CG 3.35Å; E446-R450 PolarHBondContact O-N 3.02Å; E446-R450 IonicContact OE1-CZ 3.09Å; E446-R450 IonicContact OE1-NE 3.74Å; E446-R450 PolarHBondContact OE1-NE 3.44Å; E446-R450 IonicContact OE1-NH2 3.69Å; E446-R450 PolarHBondContact OE1-NH2 2.9Å; E446-R450 IonicContact OE2-CZ 3.24Å; E446-R450 IonicContact OE2-NH2 2.71Å; E446-R450 PolarHBondContact OE2-NH2 2.63Å; E446-R450 VanDerWaalsContact OE2-NH2 3.08Å
447T68.6Low45.9Very low56 Ų56135.9 Ų135.934%0.34468%0.681SS.*Hα-helixtrans-62-41.1-179.8-64.80000111.9P443 D444 R450 Q451P443-T447 HydrophobicContact CB-CG2 4.33Å; D444-T447 PolarHBondContact O-N 2.96Å; D444-T447 WeakPolarHBondContact OD1-CB 3.2Å; D444-T447 PolarHBondContact OD1-OG1 2.68Å; D444-T447 PolarHBondContact OD2-OG1 2.79Å; T447-R450 PolarHBondContact O-N 3.45Å; T447-Q451 PolarHBondContact O-N 2.87Å; T447-Q451 VanDerWaalsContact O-N 3.08Å
448V55.7Low45.6Very low63 Ų63137.6 Ų137.638%0.38268%0.679SS.*Hα-helixtrans-64.4-47.4175.1-179.20000110.9P443 D444 Y445 E446 R450 Q451 M452P443-V448 HydrophobicContact CB-CG2 4.15Å; P443-V448 HydrophobicContact CG-CG2 3.81Å; D444-V448 PolarHBondContact O-N 3.22Å; Y445-V448 PolarHBondContact O-N 3.37Å; E446-V448 VanDerWaalsContact C-N 3.34Å; E446-V448 PolarHBondContact O-N 2.84Å; V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 2.95Å; V448-Q451 PolarHBondContact O-N 2.88Å; V448-M452 PolarHBondContact O-N 2.66Å
449M56.7Low45.2Very low85 Ų85137.7 Ų137.742%0.41968%0.675SS.*Hα-helixtrans-67.2-28-179.8-67.6-64.6-80.500113.2Y445 E446 K453Y445-M449 HydrophobicContact CD1-CG 4.39Å; Y445-M449 HydrophobicContact CD2-CG 4.19Å; Y445-M449 HydrophobicContact CE1-CG 4.12Å; Y445-M449 HydrophobicContact CE2-CG 3.88Å; Y445-M449 HydrophobicContact CE2-SD 4.19Å; Y445-M449 HydrophobicContact CG-CG 4.43Å; Y445-M449 WeakPolarHBondContact O-CB 3.12Å; Y445-M449 VanDerWaalsContact O-CG 3.23Å; Y445-M449 WeakPolarHBondContact O-CG 3.37Å; Y445-M449 PolarHBondContact O-N 2.74Å; E446-M449 PolarHBondContact O-N 2.8Å; M449-K453 PolarHBondContact O-N 3.08Å
450R50.1Low44.7Very low161 Ų161133.8 Ų133.861%0.60867%0.669SS**Hα-helixtrans-74.5-33.9172.6-72170.5-174.3-151.58.7112.5E446 T447 V448E446-R450 WeakPolarHBondContact O-CB 3.45Å; E446-R450 WeakPolarHBondContact O-CG 3.35Å; E446-R450 PolarHBondContact O-N 3.02Å; E446-R450 IonicContact OE1-CZ 3.09Å; E446-R450 IonicContact OE1-NE 3.74Å; E446-R450 PolarHBondContact OE1-NE 3.44Å; E446-R450 IonicContact OE1-NH2 3.69Å; E446-R450 PolarHBondContact OE1-NH2 2.9Å; E446-R450 IonicContact OE2-CZ 3.24Å; E446-R450 IonicContact OE2-NH2 2.71Å; E446-R450 PolarHBondContact OE2-NH2 2.63Å; E446-R450 VanDerWaalsContact OE2-NH2 3.08Å; T447-R450 PolarHBondContact O-N 3.45Å; V448-R450 VanDerWaalsContact C-N 3.3Å; V448-R450 PolarHBondContact O-N 2.95Å
451Q46.9Very low43.7Very low146 Ų146128.9 Ų128.968%0.68267%0.67SS**Hα-helixtrans-71.2-42.1172.2-74.7-175.8-15.100112T447 V448 K453 R454T447-Q451 PolarHBondContact O-N 2.87Å; T447-Q451 VanDerWaalsContact O-N 3.08Å; V448-Q451 PolarHBondContact O-N 2.88Å; Q451-K453 PolarHBondContact O-N 3.4Å; Q451-R454 PolarHBondContact O-N 2.97Å
452M49.3Very low42.9Very low162 Ų162131.4 Ų131.480%0.79867%0.671SS**Hα-helixtrans-69.4-13.4-177.5-150.8169.6-170.100113.9V448V448-M452 PolarHBondContact O-N 2.66Å
453K43Very low42.3Very low185 Ų185130.2 Ų130.280%0.80467%0.668SS**THydrogen-bonded Turntrans-8814.9176.8-94.5-174.1173.3-178.40115.3M449 Q451M449-K453 PolarHBondContact O-N 3.08Å; Q451-K453 PolarHBondContact O-N 3.4Å
454R38.9Very low41Very low225 Ų225134.8 Ų134.885%0.84968%0.682SS**  trans-131.1103.3175.2-70.2-173.8178.1-177.5-0.3113.3Q451Q451-R454 PolarHBondContact O-N 2.97Å
455G32Very low39.4Very low71 Ų71135.5 Ų135.573%0.73269%0.694SS**  trans-121.7170.4152.300000109.1
456I32.6Very low38.5Very low157 Ų157134.2 Ų134.281%0.80570%0.699SS**  cis-147.61743.2-44.5172.5000107.1
457L26.5Very low37.2Very low144 Ų144139.8 Ų139.875%0.75472%0.715SS**  trans82.6150.1166.8-53.4160.5000115.2
458H28.2Very low35.4Very low151 Ų151143.8 Ų143.870%0.69973%0.734SS**  cis-152.7166.97.8-136.5-57.9000112.7
459T25.8Very low34.5Very low118 Ų118146.8 Ų146.872%0.72475%0.748SS**  trans68.9138.7151.746.10000123.2
460D26.4Very low33.3Very low146 Ų146149.4 Ų149.478%0.78176%0.763SS**  trans-57.1153176.7-49.2-91000118
461S25.3Very low32.5Very low122 Ų122148.9 Ų148.985%0.85377%0.771SS**  -174.6151.3111.7-82.80000115.7
462Q28.2Very low31.7Very low174 Ų174148.5 Ų148.581%0.81377%0.772SS**  trans-56.2158.4-177.3-51.4166.512.300113.7
463S27.9Very low30.7Very low105 Ų105146 Ų14673%0.73476%0.762SS**  -176.913355.744.30000110.7
464Q28.3Very low30.2Very low179 Ų179142.1 Ų142.184%0.83675%0.754SS**  82.9159.893.1-66.4-158.11700118.3
465S27.6Very low30Very low109 Ų109139.1 Ų139.176%0.76275%0.75SS**  trans80.3121.8175.3-137.80000116
466L34.8Very low29.9Very low152 Ų152139.8 Ų139.880%0.79675%0.748SS**  cis-133.4149.1-8.7-65.5170.4000107.3
467R29.3Very low29.8Very low225 Ų225142.5 Ų142.585%0.84975%0.75SS**  cis6895.444.3-89.8-162.5-179.8-171.32.3116.7
468N30.1Very low29.9Very low139 Ų139142 Ų14274%0.74375%0.748SS**  160.7150.5115.8-77.4-15.8000111.2
469L37.3Very low30Very low126 Ų126142.7 Ų142.766%0.6675%0.751SS**  cis-155.8128.5-25.4-94.8169.3000104.9
470N30.1Very low30.9Very low140 Ų140141 Ų14175%0.74974%0.743SS**  55.9138.292.8-65.61000115.8
471I33.6Very low31Very low151 Ų151141.8 Ų141.877%0.77474%0.741SS**  174.915096.6-90.5168000106.1
472I31.6Very low31.1Very low137 Ų137142.4 Ų142.470%0.70374%0.735SS**  cis-165.5159.3-13.3-101.3175.5000104.2
473N28.2Very low31.2Very low110 Ų110140.9 Ų140.959%0.58873%0.732SS**  cis-138.6172.318.4-134-5.2000108.6H475N473-H475 PolarHBondContact OD1-CD2 2.94Å; N473-H475 PolarHBondContact OD1-NE2 2.89Å
474T31.8Very low31.1Very low103 Ų103141.6 Ų141.663%0.63273%0.732SS**  cis79.3146.56.3410000121.4
475H33.6Very low31Very low163 Ų163143.6 Ų143.676%0.75573%0.733SS**  trans90.4131.5169.8-51.9-52.8000118.6N473N473-H475 PolarHBondContact OD1-CD2 2.94Å; N473-H475 PolarHBondContact OD1-NE2 2.89Å
476A30.4Very low31Very low84 Ų84143.5 Ų143.569%0.69473%0.732SS**  cis-153.7-175-2.900000110.1
477Y30.8Very low30.8Very low215 Ų215145.1 Ų145.184%0.84374%0.736SS**  cis-139.4-132.94.1-141.1-70.8000110.7
478N28.5Very low31.6Very low134 Ų134139.6 Ų139.672%0.71773%0.729SS**  trans-160.5151.8-169-92.7-38.7000115.6
479Q30.6Very low31.6Very low164 Ų164140.5 Ų140.577%0.76673%0.729SS**  trans66.3167.4142.2-80.3-166.2-50.700122.1
480P43.6Very low31Very low84 Ų84141.7 Ų141.755%0.54573%0.733SS.*  cis-143.7-172.5-38.240-22000115.9
481E29.8Very low31Very low162 Ų162144.7 Ų144.776%0.75773%0.734SS**  trans71.4145.7143.9-80.9148.5-127.100121.6
482D27.9Very low30.7Very low134 Ų134144.2 Ų144.272%0.71773%0.728SS**  cis-167.2177.3-16.2-149.8-5000114.8
483L29.5Very low30.4Very low142 Ų142148.8 Ų148.874%0.74374%0.736SS**  trans83.1129.7146.5-72.9166000125.7
484V25.9Very low30.3Very low121 Ų121152.1 Ų152.173%0.73375%0.748SS**  trans82.995.6139.5178.20000123.3
485Y26.4Very low31.1Very low220 Ų220152.3 Ų152.386%0.86375%0.751SS**  50.6149.4112-129-100.9000125.4
486S28.1Very low30.8Very low107 Ų107155 Ų15575%0.74876%0.756SS**  trans95.5131.4157.475.60000121.6
487Q30.4Very low30.5Very low187 Ų187156.9 Ų156.987%0.87476%0.76SS**  trans-107.5166.7150-57.8-173.9-39.400107.6
488P44.9Very low31Very low109 Ų109152.9 Ų152.971%0.70876%0.757SS**  -154.4172.586.240.8-21.1000117.8
489E30Very low31.8Very low158 Ų158151.5 Ų151.574%0.73876%0.756SS**  trans66115.2141.5-76.8170.9-152.600125.5
490M26Very low31.8Very low150 Ų150155 Ų15574%0.73976%0.763SS**  66.3147.6122.2-69.1-160.4-66.400125.6
491R29.3Very low31.4Very low204 Ų204154 Ų15477%0.7777%0.769SS**  trans94107.3145.4-94.1-168.2159.2126.74122.7
492E26.5Very low32.1Very low141 Ų141152.4 Ų152.466%0.65977%0.773SS**  51.7135.7123.5-63.2-176.290.200123.2
493R26.6Very low32.2Very low232 Ų232155 Ų15588%0.87578%0.78SS**  trans98139.5157.4-55.5-164.3176.1-162.3-1.6119.4
494H26.1Very low32.3Very low181 Ų181151.6 Ų151.684%0.83878%0.78SS**  trans-104.1-177.1162.6-37.5-57.3000108.9
495P47.9Very low32.4Very low107 Ų107151.8 Ų151.870%0.69578%0.781SS**  cis-133.1-172.3-16.3206.2000113.9
496Y27.8Very low32.8Very low218 Ų218151.7 Ų151.786%0.85578%0.781SS**  trans86.6116.2145.9-90.6-61.5000123.9
497T24.3Very low32.8Very low125 Ų125150.8 Ų150.877%0.76777%0.774SS**  trans93.1139139.1-18.40000122.2
498V40.8Very low33Very low131 Ų131147.8 Ų147.879%0.79476%0.764SS**  trans-96.3141.7176.1167.40000110.3
499P44.6Very low32.3Very low105 Ų105150.7 Ų150.768%0.68277%0.766SS**  -150.7157.8120.738.5-23.5000115.4
500Y31.1Very low32.4Very low236 Ų236149.7 Ų149.793%0.92577%0.765SS**  -175.4149.4123.5-111.9-72.4000112.4
501G35Very low32.6Very low65 Ų65147.8 Ų147.867%0.6776%0.761SS**  trans177.3141.3173.300000114.3
502P45.1Very low32.6Very low128 Ų128143 Ų14383%0.83176%0.759SS**  trans-110.3154.9169.136.5-27.3000112.6
503Q30.9Very low33.6Very low187 Ų187141.4 Ų141.487%0.87476%0.761SS**  cis-160.5136.4-14.8-171.4-179.422.900109
504G29.7Very low33.8Very low72 Ų72134.7 Ų134.774%0.74275%0.75SS**  trans71-163.7-179.400000113.4
505V29.4Very low34.2Very low124 Ų124133.1 Ų133.175%0.75275%0.747SS**  cis-160.4157.2-17.7-106.80000106.3
506Y34.5Very low33.3Very low219 Ų219135.6 Ų135.686%0.85975%0.749SS**  cis-149.8163.15.7-131.1-57.2000109.2
507S28.8Very low33.3Very low87 Ų87136 Ų13661%0.60875%0.749SS**  trans68.292.9158.1-158.60000119.1
508N32.9Very low33.7Very low124 Ų124137.3 Ų137.366%0.66375%0.752SS**  trans66.9145.7137.2-61.3-56000119.6
509K31.5Very low34.1Very low171 Ų171135.8 Ų135.874%0.74375%0.745SS**  cis-174.1163.6-0.7-108.9177179.5176.40108.3
510L31.6Very low33.4Very low137 Ų137139.4 Ų139.472%0.71775%0.75SS**  cis-166.5130.5-11.5-166.260000111.9
511V30Very low33.4Very low109 Ų109134.3 Ų134.366%0.66174%0.738SS**  trans62.5113.9145.1173.20000124.1
512S29.3Very low33.2Very low104 Ų104137.6 Ų137.673%0.72774%0.741SS**  28.3-178.3106.8-11.70000123.4
513P47.6Very low32.5Very low107 Ų107137.9 Ų137.970%0.69574%0.74SS**  cis-141.8177-21.834.4-12.8000118.2
514S31.7Very low32.7Very low92 Ų92135 Ų13564%0.64374%0.735SS**  trans69.4123.5137610000126.7
515D34.5Very low33.6Very low147 Ų147137.6 Ų137.679%0.78674%0.739SS**  50.6136127.1-49.8-28.8000125.5
516Q28.9Very low33.7Very low159 Ų159136.7 Ų136.774%0.74374%0.738SS**  175.2145.1102.7-95.6-17559.500118.2
517R27.7Very low33.6Very low226 Ų226135.9 Ų135.985%0.85374%0.739SS**  trans71.6125.9140.3-77.2-178.2165.9169.1-5.8126.4
518N31.9Very low34.6Very low154 Ų154137.5 Ų137.582%0.82475%0.747SS**  trans-56.3-178.1150.7-115.9-23.4000114.8
519P48.8Very low34.5Very low99 Ų99135.1 Ų135.164%0.64375%0.752SS**  cis-146.6-167.73.938.2-14.4000118.7
520K30Very low34.5Very low181 Ų181131.5 Ų131.579%0.78775%0.754SS**  trans101.1122.5143.5-81.4178.6178.9-1780124.7
521N32.4Very low34.4Very low128 Ų128130.8 Ų130.868%0.68476%0.76SS**  67.9124.4129-68.228.9000127
522N30.3Very low34.5Very low134 Ų134129.6 Ų129.672%0.71776%0.762SS**  82.8120.5124.5-71.816.6000126.5
523V30.4Very low34.7Very low135 Ų135132.4 Ų132.482%0.81877%0.767SS**  88.6156.6126.3174.50000121.1
524V33.9Very low34Very low126 Ų126131.1 Ų131.176%0.76476%0.76SS**  trans-124.8145.3-161.5165.70000110.3
525P49.2Very low34.3Very low127 Ų127134.7 Ų134.783%0.82577%0.767SS**  -152.4-156.4114.939.5-18.5000115.7
526S32.2Very low34.1Very low105 Ų105133.7 Ų133.773%0.73477%0.766SS**  trans-142.9153.2-147.655.50000118
527K32.2Very low34.4Very low202 Ų202132.5 Ų132.588%0.87877%0.769SS**  trans59.5175154.8-91.4-176177.5-177.60118.1
528P50.3Low34.4Very low120 Ų120126.9 Ų126.978%0.77976%0.764SS**  cis-134.1-179.8-31.437.4-20.1000114.9
529G29.6Very low34.6Very low74 Ų74125.9 Ų125.976%0.76376%0.764SS**  trans99.299.4131.400000123.5
530A31Very low34.9Very low95 Ų95126.1 Ų126.179%0.78577%0.766SS**  trans44.7138.4135.500000126.6
531S31.2Very low35.2Very low122 Ų122125.7 Ų125.785%0.85377%0.767SS**  trans69.4157.9149.572.30000119.5
532A32.4Very low35.5Very low84 Ų84126.2 Ų126.269%0.69477%0.769SS**  cis-172.1153.7-29.300000112.2
533I32.3Very low35.5Very low164 Ų164123.8 Ų123.884%0.84177%0.768SS**  trans69.9157.3157.2-77.3166.5000119.5
534S32.9Very low35.7Very low79 Ų79124 Ų12455%0.55276%0.764SS**  cis-166.2-168.3-44.890.80000111.8
535H37.3Very low35.6Very low167 Ų167124.7 Ų124.777%0.77376%0.761SS**  trans78.7156.9176.3-47.3-63.3000117
536T31.6Very low34.8Very low126 Ų126125.7 Ų125.777%0.77375%0.754SS**  cis-150.7150.522.74.40000115
537V34.8Very low34.8Very low135 Ų135127.4 Ų127.482%0.81876%0.755SS**  trans71.2160.9157.6-171.70000113.9
538S28Very low34.6Very low107 Ų107126.7 Ų126.775%0.74875%0.754SS**  cis-149.517431.8-44.10000115.8
539T36.7Very low33.7Very low133 Ų133124.4 Ų124.482%0.81675%0.753SS**  trans-147.9-175.7174.252.90000109.9
540P54.7Low33.6Very low105 Ų105128.2 Ų128.268%0.68276%0.755SS**  cis-146.6-169.211.944.2-21.7000119.3
541E36Very low33.6Very low171 Ų171131 Ų13180%0.79975%0.752SS**  trans74144.7159.6-62.7-166.2178.900120.8
542L38.4Very low33.4Very low139 Ų139131.4 Ų131.473%0.72874%0.744SS**  cis-159.5166.8-13.1-120174.1000113.2
543A31.1Very low33.2Very low84 Ų84138.4 Ų138.469%0.69475%0.754SS**  trans67.2145167.600000118.8
544N34.9Very low33.1Very low139 Ų139135.4 Ų135.474%0.74375%0.748SS**  cis164.1149.8-24-96.9-15.9000104.7
545M30.5Very low32.8Very low141 Ų141137.8 Ų137.870%0.69576%0.759SS**  cis-159.8140.516.1-137.6168.168.200111.7
546Q31.9Very low32.4Very low148 Ų148133.8 Ų133.869%0.69276%0.755SS**  trans52.2148.1138.6-80.6177.8-13.900122.8
547L32.1Very low32.3Very low141 Ų141135.5 Ų135.574%0.73875%0.754SS**  cis-133.4157.6-2.7-63.994.2000108.3
548Q29.5Very low32.1Very low187 Ų187136 Ų13687%0.87475%0.75SS**  cis67.3133.844-69.1-173.3-13.400116
549G29.8Very low32.3Very low72 Ų72137 Ų13774%0.74275%0.746SS**  cis168.7171.6-9.600000115.6
550N28.3Very low32.2Very low153 Ų153138.6 Ų138.682%0.81874%0.741SS**  trans68.9117.9157-77.315.2000125.6
551H31.3Very low31.2Very low155 Ų155139.5 Ų139.572%0.71874%0.74SS**  51.1123121-76.7-54.4000125.9
552N27.5Very low31Very low129 Ų129141 Ų14169%0.6974%0.74SS**  91.4149128.3-64.70.7000123.2
553Y28.4Very low30.7Very low231 Ų231141 Ų14191%0.90674%0.74SS**  trans75.8175.5168.5-81.4-74.4000119.8
554S29.6Very low30.6Very low101 Ų101145.2 Ų145.271%0.70674%0.743SS**  trans-135.6-176.6-140.8-167.90000114.2
555T26.3Very low30.4Very low129 Ų129149.4 Ų149.479%0.79175%0.748SS**  trans71.8102.5166.732.70000120.4
556A29.4Very low30.9Very low84 Ų84147.7 Ų147.769%0.69475%0.748SS**  64.3119.9119.300000123.5
557H29.6Very low31.8Very low162 Ų162146.1 Ų146.175%0.7575%0.75SS**  trans76.3116134.4-82.3-110.3000123.2
558M29.7Very low33Very low146 Ų146145.2 Ų145.272%0.71975%0.753SS**  102.9111121.5-77.6-167.6-57.600124.3
559L33.5Very low33.9Very low127 Ų127141.8 Ų141.867%0.66575%0.747SS**  111.3136.8112.6-81.3171.9000122.5
560K33.3Very low34.7Very low166 Ų166148.9 Ų148.972%0.72275%0.753SS**  trans81141144.2-78.8170.6-177.6176.60119.3
561N33.9Very low35.3Very low124 Ų124147.3 Ų147.366%0.66375%0.751SS**  cis-160.2-176.3-9.3-1385000114.3
562Y31.8Very low35.8Very low203 Ų203151 Ų15180%0.79676%0.759SS**  trans102142.6166.9-55.5-50.9000116.1
563L31.5Very low36.9Very low138 Ų138151 Ų15172%0.72377%0.766SS**  cis-153.3141.5-12.4-102.3176.7000111.9
564F30.3Very low37.3Very low173 Ų173151.2 Ų151.276%0.75977%0.765SS**  trans31.9117.4147.5-80.8-114.4000125.2
565R31.1Very low37.8Very low227 Ų227152.8 Ų152.886%0.85777%0.773SS**  49.9163117.5-90.6-171.8178.4-158.61.1122.7
566P39.4Very low37.9Very low106 Ų106151 Ų15169%0.68877%0.771SS**  cis-137.8179.4-15.139.4-20.5000116.6
567P51.4Low37.9Very low114 Ų114153.2 Ų153.274%0.7478%0.776SS**  trans-104.2-169.2164.641.8-35000112.5
568P57.8Low38Very low122 Ų122150.4 Ų150.479%0.79278%0.775SS**  cis-112.2-106.3-6.527.4-2.8000113.1
569P48.2Very low38Very low115 Ų115149.9 Ų149.975%0.74778%0.78SS**  cis-128.6-155.26.845.3-26.2000115.7
570Y45.6Very low38.3Very low221 Ų221148.7 Ų148.787%0.86778%0.78SS**  trans-127.2-179.7170-95.7-90.4000110.2
571P42.7Very low38Very low121 Ų121147.2 Ų147.279%0.78678%0.78SS**  -139.9152.6126.337.8-26.5000117
572R41Very low37.8Very low233 Ų233148.4 Ų148.488%0.87979%0.785SS**  trans-107.6178.4151.9-57.5-166.3-166.1-158.79.5108.8
573P49.9Very low37.7Very low128 Ų128142.8 Ų142.883%0.83178%0.781SS**  -152-177.994.639.3-20.3000117.5
574R36.9Very low37.7Very low236 Ų236140.8 Ų140.889%0.89178%0.778SS**  trans-64.5169.5169.6-85.7-179.1-172.3176.22.6112.7
575P40.6Very low38Very low134 Ų134139.8 Ų139.887%0.8778%0.776SS**  -147.8-174.450.742.4-19.9000119.4
576A27.7Very low38Very low91 Ų91137.6 Ų137.675%0.75277%0.768SS**  trans-96.6172-168.800000114.6
577T30.9Very low37.7Very low131 Ų131139.3 Ų139.380%0.80477%0.766SS**  trans-158.5140.1145.535.10000113.1
578S31.5Very low36.8Very low103 Ų103141 Ų14172%0.7276%0.761SS**  trans52.7109.1141.367.50000122.1
579T28.5Very low35.5Very low134 Ų134143.6 Ų143.682%0.82276%0.757SS**  -52.4151.8121.327.40000110.3
580P40.2Very low34.5Very low102 Ų102143.2 Ų143.266%0.66275%0.752SS**  -156.4-174.761.745.2-24.1000117.2
581D26.4Very low33.5Very low136 Ų136138.5 Ų138.573%0.72775%0.752SS**  trans44.7149.6132-65.76.2000123
582L31.2Very low32.7Very low149 Ų149136.6 Ų136.678%0.7875%0.754SS**  cis-154158.1-14.6-119.5169.1000110
583A29Very low31.9Very low85 Ų85131 Ų13170%0.70275%0.75SS**  trans-65.7163.317400000113.5
584S30.7Very low31Very low96 Ų96130.3 Ų130.367%0.67175%0.749SS**  -149.1135.4127.174.80000113
585H37.1Very low31.2Very low151 Ų151125 Ų12570%0.69975%0.745SS**  trans73.4141.7147-64.3-14.2000119.5
586R31.8Very low30.5Very low182 Ų182125.2 Ų125.269%0.68774%0.739SS**  cis-156.3143.11.7-124173.7-163.3-152.65.5114.2
587H33.5Very low30.6Very low142 Ų142127.4 Ų127.466%0.65774%0.737SS**  trans69.9118.8153.1-63.2-27.3000118.5
588K31.3Very low30.4Very low148 Ų148126.5 Ų126.564%0.64373%0.731SS**  75.9139.566.9-70.4-164177.1-165.10111.5
589Y30.5Very low30.3Very low178 Ų178126.8 Ų126.870%0.69873%0.729SS**  cis-157.3139.16.1-125.9-152.8000108.5
590V27.5Very low30.4Very low107 Ų107130.9 Ų130.965%0.64873%0.729SS**  82.5130.297.8166.40000116.6
591S24.1Very low29.9Very low122 Ų122135.4 Ų135.485%0.85374%0.738SS**  trans34.4134.3156.2-570000122.7
592G26.1Very low29.9Very low80 Ų80134.3 Ų134.383%0.82574%0.736SS**  trans-164.3102.3161.500000112.6
593S24.3Very low29.8Very low115 Ų115135.2 Ų135.280%0.80474%0.736SS**  trans-81.2168.4166.852.80000111.4
594S32.3Very low29.8Very low115 Ų115138.9 Ų138.980%0.80474%0.743SS**  trans-45.7142.9170.2-45.30000112.3
595P39.7Very low29.7Very low124 Ų124138.9 Ų138.981%0.80574%0.743SS**  -135.6-168.878.615.48.7000113.1
596D26.1Very low29.2Very low139 Ų139138.5 Ų138.574%0.74375%0.751SS**  cis167.2179.2-37.1-170.413.3000107
597L30.8Very low29.1Very low136 Ų136138.5 Ų138.571%0.71276%0.756SS**  trans83.995160.7-56.4-176.6000121
598V26.7Very low29.1Very low112 Ų112136.6 Ų136.668%0.67976%0.755SS**  76.685.6111.6172.50000120.7
599T27.7Very low28.9Very low110 Ų110137.9 Ų137.968%0.67576%0.761SS**  74.6157.9126.975.60000124.5
600R30.8Very low28.8Very low220 Ų220136.7 Ų136.783%0.8376%0.761SS**  trans78.395.4144.2-79.6162.6-174.4-163.43.9120.9
601K29.6Very low29.4Very low196 Ų196138.9 Ų138.985%0.85276%0.764SS**  67.4157.4105.3-156.7-175.9-177.3-1750119.7
602V26.6Very low29.7Very low113 Ų113140.1 Ų140.169%0.68576%0.762SS**  trans102.8136.1157.6-165.80000116.2
603Q29.3Very low29.8Very low169 Ų169141.8 Ų141.879%0.7976%0.761SS**  trans-74.6172.3175.8-54133.2-80.400111.4
604L29.4Very low30.2Very low161 Ų161141.5 Ų141.584%0.84376%0.759SS**  175.6167.2114.3-94.8163.7000114.1
605S29.6Very low31.3Very low97 Ų97141.1 Ų141.168%0.67875%0.753SS**  trans-77.4163.8178.154.70000115
606V26Very low31Very low142 Ų142141.4 Ų141.486%0.86175%0.753SS**  -163.1158.9126.2131.90000112.9
607K30.1Very low31.6Very low183 Ų183140.1 Ų140.180%0.79675%0.75SS**  trans-75.4179.6-174.8-52.6174.2168.4179.30114
608T33Very low32.1Very low102 Ų102141 Ų14163%0.62675%0.75SS**  cis-137.8-129.87.2-27.10000112
609F27.6Very low32.6Very low175 Ų175142.3 Ų142.377%0.76875%0.749SS**  cis-149.7-164.69.3-113.8-49000113.8
610Q28Very low33Very low152 Ų152140.8 Ų140.871%0.7174%0.742SS**  trans-72.4174-171.8-78.1175.8-76.700117
611E39.4Very low33.1Very low153 Ų153137 Ų13772%0.71574%0.738SS**  cis176.8149.7-24.2-174.6158.2-14300108.1
612D29.5Very low33.2Very low148 Ų148135 Ų13579%0.79173%0.731SS**  168.9149.9125.1-125.5-33000117.1
613S30Very low33.5Very low115 Ų115136.7 Ų136.780%0.80473%0.732SS**  trans72163.6157.177.70000122.1
614S32.3Very low33.5Very low109 Ų109133.8 Ų133.876%0.76273%0.726SS**  trans-160.1-169.4-159.469.10000110
615P55.4Low33.4Very low107 Ų107131.3 Ų131.370%0.69572%0.722SS**  cis-140.8-162.86.730.9-4000115.9
616V33.4Very low33.2Very low130 Ų130135 Ų13579%0.78873%0.728SS**  trans76.2123.9163.9-175.20000115.1
617V38.3Very low34.3Very low113 Ų113132.8 Ų132.869%0.68572%0.717SS**  cis-176.2155.4-10.396.10000105
618H41.1Very low34Very low153 Ų153131.1 Ų131.171%0.70872%0.716SS**  cis-172.7170.5-9.8-124.521.8000106.5
619Q37.7Very low33.7Very low141 Ų141132 Ų13266%0.65972%0.722SS**  cis-163.7162.4-5.9-149-167.357.200109
620S35.8Very low33.6Very low78 Ų78127.8 Ų127.855%0.54572%0.719SS.*  trans68.4142143.5-650000123.8
621L33.8Very low33.5Very low140 Ų140126 Ų12673%0.73372%0.718SS**  cis-163.4159.4-13.3-110.7172.2000111.3
622Q31.4Very low33Very low154 Ų154127 Ų12772%0.7272%0.72SS**  trans7.9153.7154.9-75.8-170.5-70.700124.2
623E32.9Very low32.9Very low148 Ų148127.2 Ų127.269%0.69272%0.716SS**  cis-175.7170.7-23.9-124.4-171.1-44.600113.5
624V29.1Very low32.9Very low109 Ų109130.8 Ų130.866%0.66172%0.72SS**  trans56.7123.5144.3167.90000124.5
625S26.3Very low32.9Very low109 Ų109128.8 Ų128.876%0.76272%0.717SS**  trans55153.9143.584.70000127.5
626E26.5Very low31.9Very low173 Ų173130.3 Ų130.381%0.80872%0.724SS**  trans-35.9172.1146.2-109.5-176.8-154.300116.7
627P48Very low32Very low97 Ų97129.6 Ų129.663%0.6372%0.719SS**  cis-143-164.1738.3-15.4000117.2
628L24.9Very low31.6Very low147 Ų147129.2 Ų129.277%0.7771%0.714SS**  trans78.8125.1151.8-70.2170.7000122.9
629T26.2Very low31.4Very low122 Ų122130.4 Ų130.475%0.74872%0.717SS**  trans65137.1136.957.50000124.4
630A25.5Very low31.4Very low85 Ų85133.6 Ų133.670%0.70272%0.723SS**  trans71.9112.4132.500000122.8
631T26.3Very low31.3Very low115 Ų115136.6 Ų136.671%0.70673%0.728SS**  74.690.3117.3-49.20000121.1
632K28.4Very low31.3Very low173 Ų173133.7 Ų133.775%0.75272%0.719SS**  trans73.8157.9135.8-57177.7-179.5-1790122.4
633H28.5Very low31.4Very low154 Ų154133.5 Ų133.571%0.71372%0.723SS**  trans85.494.3151.4-66.3-58.8000122.5
634H30.2Very low31.4Very low190 Ų190134 Ų13488%0.8873%0.725SS**  30.6129.8125.6-79.1-77000123.8
635G32.3Very low31.6Very low67 Ų67133.6 Ų133.669%0.69172%0.723SS**  trans89.2159.5147.600000116.3
636T33.7Very low31.6Very low139 Ų139136.4 Ų136.485%0.85373%0.726SS**  cis-176.1164.1-2.38.80000107.6
637V35.3Very low31.7Very low114 Ų114134.5 Ų134.569%0.69172%0.721SS**  cis-170.4176.7-1.3580000109.1
638N30.1Very low30.8Very low106 Ų106133.4 Ų133.457%0.56772%0.716SS**  trans81.4120.7164.3-72.7-37.8000118.5
639K36.4Very low31.1Very low178 Ų178134.3 Ų134.377%0.77472%0.718SS**  74.6139.792.2-68.6173.4-173.3143.80113.2
640R38Very low31.2Very low207 Ų207133.8 Ų133.878%0.78172%0.715SS**  cis-162.4178.215.7-120.8175.9147.5178.4-12.2106.5
641H33.9Very low31.4Very low141 Ų141141.6 Ų141.665%0.65373%0.726SS**  cis-169.5-175.6-8.2-122.9-3000105.4
642S34Very low31.4Very low79 Ų79139.7 Ų139.755%0.55273%0.729SS**  cis-174.7168.5-18.346.50000108.9
643L32.4Very low31.4Very low151 Ų151139.2 Ų139.279%0.79173%0.731SS**  trans72.2155.5172-48.5157.4000115.3
644E32.8Very low31.4Very low157 Ų157139.9 Ų139.973%0.73474%0.735SS**  cis-171.7165.4-25.1-100.1-152.3108.200108.7
645V33Very low31.4Very low102 Ų102135.1 Ų135.162%0.61873%0.729SS**  cis-168.7162.5-26.377.40000110.9
646M26.8Very low31.2Very low167 Ų167140.1 Ų140.182%0.82374%0.736SS**  trans63.6164.8163.7-70.2175.672.500121.1
647N28.4Very low31Very low133 Ų133138.8 Ų138.871%0.71173%0.728SS**  -164.1160.7-51.2-153.7-1.7000113.3
648S30.3Very low30.8Very low75 Ų75139.5 Ų139.552%0.52473%0.727SS.*  trans69121140.6630000125.9
649M29.7Very low30.7Very low166 Ų166142.6 Ų142.682%0.81874%0.735SS**  95.9125.6116.9-80.3-165.3-75.700125.9
650V29.5Very low30.3Very low111 Ų111138.7 Ų138.767%0.67373%0.731SS**  90.2123.7123.2165.20000123.5
651R29.8Very low29.7Very low249 Ų249136.3 Ų136.394%0.9473%0.733SS**  trans54.1150.6152-72.9173.8-162.1-141.99.3121.6
652G26.4Very low29.3Very low75 Ų75137.8 Ų137.877%0.77374%0.739SS**  trans178.9142161.700000112.5
653M28.1Very low29.1Very low162 Ų162141 Ų14180%0.79875%0.749SS**  trans-132.6168.3175.4-90.917452.700109.8
654E28.5Very low29.4Very low168 Ų168139.9 Ų139.979%0.78575%0.752SS**  trans66.5131.5170.9-69.7144-138.800116.1
655A30.3Very low29.2Very low91 Ų91140.6 Ų140.675%0.75276%0.757SS**  cis97.795.426.700000114.7
656M27.8Very low29Very low172 Ų172140.1 Ų140.185%0.84776%0.763SS**  trans-154.7119.7157.7-108.5-169.9-76.400108.7
657T29.9Very low29Very low110 Ų110142.8 Ų142.868%0.67576%0.764SS**  64.3142.997.4660000116.3
658L29.7Very low29Very low130 Ų130146.2 Ų146.268%0.68177%0.767SS**  cis-170.5165.5-9.6-106.6170.6000108.7
659K28.1Very low28.9Very low170 Ų170149.5 Ų149.574%0.73978%0.779SS**  trans54117.5145.8-77164.3-177174.70119.6
660S27.8Very low28.9Very low97 Ų97147.7 Ų147.768%0.67878%0.778SS**  90.6164.562.576.90000114.9
661L26.9Very low28.9Very low157 Ų157150 Ų15082%0.82279%0.785SS**  trans99.1150.1-179.3-60.1169.8000114.4
662H25.6Very low28.8Very low171 Ų171148 Ų14879%0.79278%0.778SS**  cis-165.3175.4-39.2-139.3-109.7000109
663L28.6Very low28.8Very low146 Ų146150.6 Ų150.676%0.76477%0.77SS**  trans-62.8164171-95.471.5000112.9
664P39.6Very low28.6Very low129 Ų129149.7 Ų149.784%0.83876%0.764SS**  cis-150.1-140.649.643.2-19.4000117.4
665M28.5Very low28.7Very low172 Ų172145 Ų14585%0.84776%0.76SS**  trans-116.8164.6-148.5-54.7163.266.900117.3
666A28.2Very low28.9Very low91 Ų91146.2 Ų146.275%0.75276%0.76SS**  trans99.7156.3137.100000122
667R26.8Very low29.6Very low223 Ų223142.5 Ų142.584%0.84275%0.749SS**  trans79.4149.9-177.7-58.5178.5169.7177.5-2.4114.5
668R29.3Very low29.5Very low205 Ų205144.9 Ų144.977%0.77475%0.752SS**  cis-153.4175.50.6-135.9172.3-178.9167-3.1111.7
669N27.3Very low29.2Very low145 Ų145147.1 Ų147.178%0.77576%0.759SS**  trans-44.2153.9171.5-42.12.8000112.9
670T30.8Very low29.3Very low128 Ų128142 Ų14279%0.78576%0.755SS**  cis-141-179.947.949.60000111.9
671L29.5Very low29.7Very low159 Ų159143.8 Ų143.883%0.83276%0.764SS**  cis-150.1170.420.1-138.4139.1000111.4
672R26.2Very low29.7Very low208 Ų208139.9 Ų139.979%0.78576%0.762SS**  trans-76.3158.2172.6-136.3-174.7164.3145.91.6108.7
673E26.5Very low29.7Very low129 Ų129137.5 Ų137.560%0.60376%0.764SS**  cis-143.2156.428.7-69.9-1308200116.2
674Q25.5Very low29.6Very low143 Ų143136.9 Ų136.967%0.66876%0.757SS**  trans38.4114.3141.3-60.3-175.459.900121.4
675G28.8Very low29.1Very low68 Ų68136.1 Ų136.170%0.70174%0.742SS**  -90.1175.6113.800000109.8
676P35.4Very low29.4Very low117 Ų117131.7 Ų131.776%0.7673%0.725SS**  -137.4177.911933.9-19.3000113
677P43.3Very low29.3Very low95 Ų95130.9 Ų130.962%0.61771%0.712SS**  trans-116-139.8-16938.9-21.4000110.9
678E26.2Very low29.1Very low159 Ų159127.4 Ų127.474%0.74371%0.705SS**  trans71.6148.3160-78.1150.9-147.200116
679E23.5Very low29.3Very low177 Ų177124.4 Ų124.483%0.82770%0.704SS**  cis-150.4-161.9-12.2-139.8170.6-157.700110.6
680G31.5Very low29.4Very low63 Ų63122.1 Ų122.165%0.64970%0.697SS**  trans-76.4-149.8156.200000111.4
681P36.3Very low29Very low135 Ų135123.7 Ų123.788%0.87770%0.695SS**  cis-118.8178.74.838.8-24.1000113.1
682G26.3Very low28.8Very low74 Ų74125.4 Ų125.476%0.76369%0.692SS**  trans-91.3173.7-175.600000115.2
683S25.4Very low28.7Very low121 Ų121121.7 Ų121.785%0.84668%0.684SS**  trans-160.2172.7151.654.90000111.4
684H27.3Very low28.8Very low133 Ų133122.2 Ų122.262%0.61669%0.686SS**  trans-66.3176-166.2-64.8-94.3000117.5P824H684-P824 WeakPolarHBondContact CB-O 3.15Å; H684-P824 VanDerWaalsContact CG-O 3.27Å; H684-P824 PolarHBondContact ND1-O 2.88Å
685E27.6Very low29Very low113 Ų113123.1 Ų123.153%0.52869%0.687SS.*  trans84.8131.8163.1-44.2-149.4172.600120.6P824 V825 K826E685-P824 HydrophobicContact CG-CB 4.32Å; E685-P824 VanDerWaalsContact OE1-CB 3.29Å; E685-P824 WeakPolarHBondContact OE1-CB 3.36Å; E685-V825 WeakPolarHBondContact CA-O 3.38Å; E685-V825 WeakPolarHBondContact CG-O 3.41Å; E685-K826 HydrophobicContact CB-CB 4.5Å
686V36Very low29.2Very low80 Ų80128 Ų12849%0.48569%0.689SS.*  trans-138.279.6166-177.50000110.1K826 E827V686-K826 VanDerWaalsContact C-CB 3.47Å; V686-K826 VanDerWaalsContact N-CA 3.33Å; V686-K826 CarbonylContact O-C 3.57Å; V686-K826 VanDerWaalsContact O-CB 3.23Å; V686-K826 WeakPolarHBondContact O-CB 3.4Å; V686-K826 WeakPolarHBondContact O-CG 3.47Å; V686-E827 PolarHBondContact O-N 2.94Å
687P26.1Very low29.2Very low73 Ų73127.2 Ų127.247%0.47468%0.683SS.*  trans-71.8137.2177.6-18.132.8000112.4K826P687-K826 HydrophobicContact CB-CD 4.07Å; P687-K826 HydrophobicContact CG-CD 4.24Å
688Q22.3Very low28.7Very low151 Ų151130.7 Ų130.771%0.70669%0.688SS**  trans20.7117.1141.2-68.5166.5-91.200118.3
689L33.3Very low29.2Very low141 Ų141127.9 Ų127.974%0.73869%0.686SS**  trans-46.1152.3142-79.9104.9000110.6
690P29.8Very low29.8Very low98 Ų98125.9 Ų125.964%0.63668%0.681SS**  cis-155.3178.447.144.2-24000119.5
691Q22.3Very low30.1Very low160 Ų160126.9 Ų126.975%0.74868%0.684SS**  trans67.1169.2150.5-80.8173.6-32.600119.7
692Y25.2Very low30Very low195 Ų195126.2 Ų126.277%0.76568%0.677SS**  trans70.3142.1175.7-62.8-87.9000117.3
693H24Very low30.3Very low131 Ų131130.3 Ų130.361%0.60668%0.678SS**  cis-172.3147.7-30.9-132.1-118.6000106.8
694H28.9Very low30.6Very low140 Ų140130.6 Ų130.665%0.64867%0.669SS**  trans65.4163.3166.1-60.3-38.3000116.4
695K30.2Very low30.8Very low161 Ų161130 Ų13070%0.767%0.67SS**  cis-160.3148.3-13.4-114.6163.1-165.8167.80108.8
696K33.1Very low30.8Very low171 Ų171131.9 Ų131.974%0.74368%0.678SS**  trans56.3106.4143-76.7-166.7173.7-165.20119.5
697T34.4Very low30.4Very low101 Ų101133.1 Ų133.162%0.6269%0.69SS**  76.9156.891.860.80000114.3
698F32.8Very low30.4Very low167 Ų167134.9 Ų134.973%0.73271%0.705SS**  cis-146.1161.414.4-92-59.1000107.7
699S36Very low30.5Very low101 Ų101136.8 Ų136.871%0.70671%0.713SS**  cis-168-164.71.341.90000108.6
700D37.4Very low30Very low135 Ų135134.5 Ų134.572%0.72271%0.709SS**  -170.1147.9-66.8-71.6-42.4000106.3
701A36.3Very low29.8Very low84 Ų84137.8 Ų137.869%0.69472%0.716SS**  cis-132-125.2-8.600000108.4
702T35.1Very low30Very low121 Ų121138.6 Ų138.674%0.74272%0.72SS**  cis-159.5130.2-2.18.50000105.1
703M31.9Very low30Very low159 Ų159137.5 Ų137.578%0.78372%0.722SS**  82.2139.870.3-73.6-172.152.800117.2
704L33.2Very low30Very low127 Ų127140.2 Ų140.267%0.66573%0.734SS**  cis-176.1139-24.3-114.4-174.8000110.4
705I30.8Very low29.9Very low121 Ų121142.3 Ų142.362%0.62175%0.745SS**  trans49.9175.9153.922.6-176000119.7
706H28.4Very low29.7Very low153 Ų153143.6 Ų143.671%0.70875%0.753SS**  cis-141.1142.99.2-103.4-55.8000108.9
707S27.1Very low29.3Very low105 Ų105139.5 Ų139.573%0.73475%0.751SS**  83.3161.781.5-58.90000116.1
708S26Very low29.7Very low111 Ų111140 Ų14078%0.77676%0.756SS**  trans-115.3179.6-162.8-49.40000114
709E23.7Very low29.3Very low190 Ų190140.8 Ų140.889%0.88876%0.762SS**  trans70.9177.3169.4-57.2168.3163.600115.2
710S23.2Very low28.8Very low93 Ų93140.5 Ų140.565%0.6576%0.76SS**  -157.3-174.8-83.261.50000109.2
711E26.6Very low28.2Very low168 Ų168140.6 Ų140.679%0.78577%0.765SS**  cis-156.2-151.32-140.2142.9153.300109.7
712E25.2Very low28.1Very low177 Ų177142.4 Ų142.483%0.82777%0.77SS**  trans69.9156.5166.8-57.1169.9-177.200118.2
713E25.3Very low27.5Very low171 Ų171145 Ų14580%0.79977%0.774SS**  cis-154.9157.4-31.4-103.8-178.917000106.9
714E24.9Very low27.2Very low188 Ų188144.9 Ų144.988%0.87977%0.774SS**  -177.6-177.190.8-91.7-173148.300111.9
715E26.4Very low27Very low184 Ų184144.1 Ų144.186%0.8678%0.777SS**  trans-62.4172.7-169.3-53-174.7125.500116
716E25.7Very low26.8Very low189 Ų189144.6 Ų144.688%0.88379%0.786SS**  cis-159.1-178.236.7-155.1179.4-170.800112.4
717A25.7Very low26.7Very low85 Ų85145.3 Ų145.370%0.70279%0.793SS**  trans-129.4177.1-177.200000111.2
718P41.8Very low26.6Very low110 Ų110151.4 Ų151.471%0.71480%0.8SS**  cis-143-162.515.441.7-18.9000116.8
719E24.7Very low26.7Very low184 Ų184155.1 Ų155.186%0.8681%0.806SS**  trans70.9144.9167.8-66.1-176.7-169.600119
720S24.3Very low26.9Very low95 Ų95153.9 Ų153.966%0.66480%0.797SS**  cis-159.1143.9-15.852.30000112.9
721V25.9Very low27.2Very low137 Ų137157.6 Ų157.683%0.8381%0.806SS**  trans39.1142145.6-174.10000121.4
722P34.2Very low27.2Very low122 Ų122156.2 Ų156.279%0.79280%0.8SS**  cis-124.3-171.8-4.135.7-16.3000115
723Q23.4Very low27.5Very low176 Ų176154 Ų15482%0.82279%0.785SS**  trans-103153.8-175.2-59.8169.9-14.400114.7
724I24.7Very low28.1Very low156 Ų156148.8 Ų148.880%0.877%0.768SS**  trans-139.5115.6152.9-57.8-179.4000109
725P28.5Very low28.5Very low111 Ų111143.4 Ų143.472%0.72176%0.755SS**  trans-76.1128.8177.5-16.731.8000113.1
726V26Very low28.8Very low132 Ų132142.1 Ų142.180%0.875%0.749SS**  trans-94.7106.9170.3177.50000109.4R728V726-R728 PolarHBondContact O-N 3.42Å
727L26.4Very low29.5Very low167 Ų167135 Ų13587%0.87472%0.717SS**  trans-67118173.2-76.7167.9000110.8
728R25.8Very low30.2Very low233 Ų233136.9 Ų136.988%0.87971%0.711SS**  trans-98.1114.7159.1-76.2-170.3-179.9-164.83.8108.5V726 K730V726-R728 PolarHBondContact O-N 3.42Å; R728-K730 PolarHBondContact O-N 2.87Å
729E28.8Very low29.9Very low190 Ų190134 Ų13489%0.88870%0.696SS**  trans-69113.1170.9-66.9172.1140.800110.1
730K27.2Very low30.6Very low164 Ų164126.9 Ų126.971%0.71367%0.67SS**  trans-84.7105.2158.5-85.4-177.2151-140.40107.9R728 E732R728-K730 PolarHBondContact O-N 2.87Å; K730-E732 IonicContact NZ-OE1 3.18Å; K730-E732 PolarHBondContact NZ-OE1 3.48Å; K730-E732 PolarHBondContact O-N 2.78Å
731M30.2Very low31.2Very low170 Ų170125.5 Ų125.584%0.83765%0.654SS**  trans-81.964.1174.7-155.7174.5-157.800111.4
732E26.2Very low31.6Very low140 Ų140123 Ų12365%0.65465%0.648SS**  trans-82.6126.7161.9-71.8169.5-152.100107.4K730 S734K730-E732 IonicContact NZ-OE1 3.18Å; K730-E732 PolarHBondContact NZ-OE1 3.48Å; K730-E732 PolarHBondContact O-N 2.78Å; E732-S734 PolarHBondContact O-N 3.09Å
733Y31.3Very low31.5Very low129 Ų129126.4 Ų126.451%0.50665%0.645SS.*  trans-64.3107.5179.2-83.2-82.2000110L67 A735L67-Y733 HydrophobicContact CD1-CE2 3.99Å; Y733-A735 PolarHBondContact O-N 2.82Å
734S37.6Very low32Very low63 Ų63121.2 Ų121.244%0.44162%0.622SS.*  trans-60.4129.3177.4178.90000110.8E732 Q736 L737 Q738E732-S734 PolarHBondContact O-N 3.09Å; S734-Q736 PolarHBondContact O-N 3.42Å; S734-Q736 VanDerWaalsContact O-N 3.07Å; S734-Q736 VanDerWaalsContact OG-CB 3.28Å; S734-Q736 WeakPolarHBondContact OG-CB 3.3Å; S734-Q736 PolarHBondContact OG-N 3.05Å; S734-L737 WeakPolarHBondContact O-CB 3.36Å; S734-L737 PolarHBondContact O-N 3.27Å; S734-Q738 PolarHBondContact O-N 2.84Å
735A32.8Very low32.3Very low75 Ų75116.4 Ų116.462%0.6260%0.601SS**Hα-helixtrans-56.7-23.217200000112.1Y733 Q738 A739Y733-A735 PolarHBondContact O-N 2.82Å; A735-Q738 PolarHBondContact O-N 2.9Å; A735-A739 VanDerWaalsContact O-CB 3.27Å; A735-A739 WeakPolarHBondContact O-CB 3.49Å; A735-A739 PolarHBondContact O-N 3.48Å
736Q34.2Very low32.4Very low156 Ų156118.7 Ų118.773%0.72961%0.607SS**Hα-helixtrans-67.8-35.1175.3-161.2169.5-1.200112.3S734 A739 A740S734-Q736 PolarHBondContact O-N 3.42Å; S734-Q736 VanDerWaalsContact O-N 3.07Å; S734-Q736 VanDerWaalsContact OG-CB 3.28Å; S734-Q736 WeakPolarHBondContact OG-CB 3.3Å; S734-Q736 PolarHBondContact OG-N 3.05Å; Q736-A739 PolarHBondContact O-N 2.81Å; Q736-A740 VanDerWaalsContact O-CB 3.27Å; Q736-A740 WeakPolarHBondContact O-CB 3.41Å; Q736-A740 PolarHBondContact O-N 3.21Å
737L39.6Very low32.7Very low40 Ų40118.6 Ų118.621%0.20960%0.596CS.*Hα-helixtrans-69.5-42.9172.6176.457.4000111.1M170 S734 A739 A740 L741M170-L737 HydrophobicContact CE-CD1 3.43Å; M170-L737 VanDerWaalsContact CE-CD1 3.43Å; M170-L737 HydrophobicContact CE-CD2 4.38Å; M170-L737 HydrophobicContact SD-CD1 3.78Å; M170-L737 HydrophobicContact SD-CD2 4.16Å; M170-L737 HydrophobicContact SD-CG 4.49Å; S734-L737 WeakPolarHBondContact O-CB 3.36Å; S734-L737 PolarHBondContact O-N 3.27Å; L737-A739 VanDerWaalsContact C-N 3.3Å; L737-A739 PolarHBondContact O-N 2.82Å; L737-A740 PolarHBondContact O-N 3.28Å; L737-L741 HydrophobicContact CD1-CD1 3.74Å; L737-L741 HydrophobicContact CD1-CG 3.9Å; L737-L741 HydrophobicContact CG-CD1 4.09Å; L737-L741 WeakPolarHBondContact O-CB 3.46Å; L737-L741 WeakPolarHBondContact O-CG 3.47Å; L737-L741 PolarHBondContact O-N 2.94Å
738Q41.3Very low32.8Very low124 Ų124116.1 Ų116.158%0.57959%0.59SS**Hα-helixtrans-64.3-34.2173.9-98.3179.2-5500112.6S734 A735 A742S734-Q738 PolarHBondContact O-N 2.84Å; A735-Q738 PolarHBondContact O-N 2.9Å; Q738-A742 WeakPolarHBondContact O-CB 2.92Å; Q738-A742 PolarHBondContact O-N 3.29Å
739A35.6Very low33.1Very low49 Ų49109.8 Ų109.841%0.40558%0.579SS.*Hα-helixtrans-75.5-35.6175.800000113A735 Q736 L737 R743A735-A739 VanDerWaalsContact O-CB 3.27Å; A735-A739 WeakPolarHBondContact O-CB 3.49Å; A735-A739 PolarHBondContact O-N 3.48Å; Q736-A739 PolarHBondContact O-N 2.81Å; L737-A739 VanDerWaalsContact C-N 3.3Å; L737-A739 PolarHBondContact O-N 2.82Å; A739-R743 VanDerWaalsContact O-CG 3.3Å; A739-R743 WeakPolarHBondContact O-CG 3.42Å; A739-R743 PolarHBondContact O-N 2.95Å
740A38Very low33.2Very low36 Ų36104.3 Ų104.330%0.29856%0.56SS.*Hα-helixtrans-69.9-48176.500000111.7V166 Q736 L737 A742 R743V166-A740 HydrophobicContact CG2-CB 4.37Å; Q736-A740 VanDerWaalsContact O-CB 3.27Å; Q736-A740 WeakPolarHBondContact O-CB 3.41Å; Q736-A740 PolarHBondContact O-N 3.21Å; L737-A740 PolarHBondContact O-N 3.28Å; A740-A742 PolarHBondContact O-N 2.94Å; A740-R743 PolarHBondContact O-N 3.25Å
741L37.7Very low33.4Very low66 Ų66105.6 Ų105.635%0.34657%0.568SS.*Hα-helixtrans-65.2-27175.6-66.2174.6000112.4L737 R743 I744L737-L741 HydrophobicContact CD1-CD1 3.74Å; L737-L741 HydrophobicContact CD1-CG 3.9Å; L737-L741 HydrophobicContact CG-CD1 4.09Å; L737-L741 WeakPolarHBondContact O-CB 3.46Å; L737-L741 WeakPolarHBondContact O-CG 3.47Å; L737-L741 PolarHBondContact O-N 2.94Å; L741-R743 VanDerWaalsContact C-N 3.27Å; L741-R743 PolarHBondContact O-N 3.45Å; L741-I744 HydrophobicContact CD2-CD1 4.03Å
742A33.2Very low33.2Very low83 Ų83101.8 Ų101.869%0.68655%0.545SS*.THydrogen-bonded Turntrans-823172.100000114.4Q738 A740Q738-A742 WeakPolarHBondContact O-CB 2.92Å; Q738-A742 PolarHBondContact O-N 3.29Å; A740-A742 PolarHBondContact O-N 2.94Å
743R32.9Very low33.4Very low195 Ų19598.8 Ų98.874%0.73654%0.538SS*.THydrogen-bonded Turntrans-112.31175-78.7178.6179.3-158.90.9114A739 A740 L741A739-R743 VanDerWaalsContact O-CG 3.3Å; A739-R743 WeakPolarHBondContact O-CG 3.42Å; A739-R743 PolarHBondContact O-N 2.95Å; A740-R743 PolarHBondContact O-N 3.25Å; L741-R743 VanDerWaalsContact C-N 3.27Å; L741-R743 PolarHBondContact O-N 3.45Å
744I34.6Very low33.2Very low67 Ų6795.4 Ų95.434%0.34454%0.542SS..SBendtrans-54.8127.8168-60.9172.7000108.1L741 N746L741-I744 HydrophobicContact CD2-CD1 4.03Å; I744-N746 PolarHBondContact O-N 2.85Å
745P29.6Very low32.7Very low54 Ų5499 Ų9935%0.35156%0.564SS.*  trans-60.6122.7-179.4-25.735000111.8K747P745-K747 PolarHBondContact O-N 3.35Å
746N31.6Very low32.5Very low159 Ų159106.3 Ų106.385%0.8558%0.576SS**  trans-72.766.9171.5-74.9-45.7000111I744I744-N746 PolarHBondContact O-N 2.85Å
747K31.4Very low32.2Very low130 Ų130109.1 Ų109.157%0.56559%0.585SS**PPolyproline II helixtrans-103.1135.9166.9-70.4-174.9177.2-178.70109.1P745P745-K747 PolarHBondContact O-N 3.35Å
748P28.9Very low31.6Very low116 Ų116112.2 Ų112.275%0.75361%0.61SS**PPolyproline II helixtrans-66.6150163.630.9-33.7000109.7
749P32.8Very low30.8Very low99 Ų99112.7 Ų112.764%0.64362%0.621SS**PPolyproline II helixtrans-67.8153.3175.929.4-35.2000111.5
750P30.6Very low30.3Very low76 Ų76114.2 Ų114.249%0.49463%0.629SS.*PPolyproline II helixtrans-68.1149.317529.2-34.8000112
751E30.8Very low29.6Very low191 Ų191120.3 Ų120.389%0.89366%0.657SS**PPolyproline II helixtrans-65137.8178.2-68.8-171.3124.200112.7
752Y26.4Very low29Very low90 Ų90120.5 Ų120.535%0.35368%0.675SS.*PPolyproline II helixtrans-69128176.5-103-124.5000112.4E112 A199 E202 G754E112-Y752 HydrophobicContact CG-CE1 3.76Å; E112-Y752 WeakPolarHBondContact CG-OH 3.36Å; E112-Y752 WeakPolarHBondContact OE1-CD1 3.45Å; E112-Y752 VanDerWaalsContact OE1-CE1 3.22Å; E112-Y752 WeakPolarHBondContact OE1-CE1 3.13Å; E112-Y752 VanDerWaalsContact OE2-CE1 3.25Å; E112-Y752 WeakPolarHBondContact OE2-CE1 3.39Å; A199-Y752 WeakPolarHBondContact CA-OH 3.26Å; A199-Y752 HydrophobicContact CB-CD1 4.32Å; A199-Y752 HydrophobicContact CB-CE1 3.26Å; A199-Y752 VanDerWaalsContact CB-CZ 3.42Å; A199-Y752 WeakPolarHBondContact CB-OH 3.38Å; A199-Y752 PolarHBondContact N-OH 2.8Å; E202-Y752 PolarHBondContact OE1-OH 2.99Å; E202-Y752 VanDerWaalsContact OE1-OH 3.06Å; Y752-G754 PolarHBondContact O-N 3.03Å
753P30.9Very low28.6Very low76 Ų76121 Ų12149%0.49468%0.679SS.*  trans-85.3104.9-175.831.6-33.9000113.7L197L197-P753 HydrophobicContact CD1-CG 4.41Å; L197-P753 HydrophobicContact CD2-CG 3.69Å
754G26Very low28.2Very low58 Ų58119 Ų11960%0.59868%0.682SS**PPolyproline II helixtrans-69165.3162.700000113.6Y752 R756Y752-G754 PolarHBondContact O-N 3.03Å; G754-R756 PolarHBondContact O-N 2.95Å
755P28.5Very low27.7Very low138 Ų138125.6 Ų125.690%0.89670%0.703SS**PPolyproline II helixtrans-66.4122.6-162.5-23.634.8000115.5
756R27.8Very low27.4Very low230 Ų230128.9 Ų128.987%0.86871%0.713SS**PPolyproline II helixtrans-71144.1171.6-62.7-179.7-179.5175.30.7111.4G754G754-R756 PolarHBondContact O-N 2.95Å
757K28.1Very low26.9Very low214 Ų214127.7 Ų127.793%0.9371%0.707SS**PPolyproline II helixtrans-100.6142.6153.1-77.4-172176.1-178.90109.7
758S26.5Very low26.6Very low105 Ų105130.2 Ų130.273%0.73472%0.721SS**  trans-119.2-178.8-170.553.70000112.2
759V24.9Very low27.1Very low134 Ų134130.7 Ų130.781%0.81272%0.724SS**  trans76.1128.1169.5-174.20000116.5
760S24.2Very low26.6Very low82 Ų82129.7 Ų129.757%0.57373%0.732SS**  cis-164.4158.6-2560.80000111.3
761N23.9Very low26.3Very low163 Ų163134.1 Ų134.187%0.87275%0.75SS**  trans63.7165.7151-57.9-19.2000119.8
762G24.7Very low27.1Very low71 Ų71130.2 Ų130.273%0.73274%0.742SS**  trans179.7-89.4178.300000112.5
763A25Very low28.3Very low94 Ų94131.9 Ų131.978%0.77776%0.763SS**  trans72.5160.1170.800000119
764L24.2Very low28.1Very low151 Ų151131.5 Ų131.579%0.79177%0.773SS**  trans72110.7164.1-59172.3000120
765R24.5Very low28.2Very low207 Ų207138 Ų13878%0.78179%0.791SS**  48147.2114.6-69.7-179.5175.3-102.9-0.9119.4
766Q23.6Very low28.2Very low123 Ų123135.1 Ų135.158%0.57578%0.778SS**  cis-160.4173.917.5-138.5167.9-107.500113.7
767D21.6Very low28.3Very low133 Ų133136 Ų13671%0.71178%0.781SS**  trans73.2142.7149.1-62.2-32.5000124.2
768Q23.6Very low28.3Very low183 Ų183129.7 Ų129.786%0.85577%0.77SS**  trans-90-171.5159.2-63.1-1701.100109.2
769P41.2Very low28.2Very low126 Ų126135.7 Ų135.782%0.81878%0.776SS**  cis-131.5-177.2-4.938.1-18.8000114.8
770G22.5Very low28.3Very low79 Ų79134.8 Ų134.881%0.81477%0.771SS**  trans169.4103.2167.100000117.3
771L23.3Very low28.4Very low168 Ų168138 Ų13888%0.8878%0.781SS**  trans-126.2177.2165.1-81.6167.2000107.3
772P48.3Very low28.5Very low110 Ų110139.9 Ų139.971%0.71478%0.775SS**  cis-126-122.7-46.335.3-14.9000107.9
773P51.1Low28.6Very low124 Ų124144.2 Ų144.281%0.80578%0.776SS**  cis-130.8178.6-42.236.3-18.8000115.4
774G27.6Very low28.6Very low68 Ų68142.3 Ų142.370%0.70177%0.766SS**  trans159.6111.6157.200000112.2
775M27.9Very low29.5Very low196 Ų196142 Ų14297%0.96677%0.773SS**  63.8138.772-73.9-154.2175.600115.7
776A27.8Very low29.6Very low77 Ų77136.1 Ų136.164%0.63677%0.769SS**  cis-173.1168.2-16.200000111.3
777R29.3Very low29.8Very low247 Ų247139.7 Ų139.793%0.93278%0.783SS**  trans66.7168.8159.3-69.7173.5172.7170-2.8118.1
778A27.8Very low30.2Very low83 Ų83137.6 Ų137.669%0.68678%0.784SS**  cis-171.2152.2-39.700000113.5
779R26.1Very low30.5Very low231 Ų231136.6 Ų136.687%0.87278%0.783SS**  trans61.6126.4143.1-81.2-171171.2-178.4-1.9124.3
780V26.1Very low29.9Very low114 Ų114135.4 Ų135.469%0.69178%0.777SS**  80.8120.1127.11750000121.7
781L26.1Very low30.2Very low150 Ų150138.9 Ų138.979%0.78578%0.782SS**  172.5121.7121.5-104.1117.4000106.9
782R26.3Very low30.6Very low202 Ų202135.5 Ų135.576%0.76277%0.773SS**  81.1107.159.1-161.6-164.9-144.1-127.512.4113.4
783H26.7Very low30.1Very low162 Ų162140.9 Ų140.975%0.7578%0.779SS**  178.6153.1124.1-106.4-85.4000114.5
784G25.6Very low28.9Very low55 Ų55140.4 Ų140.457%0.56777%0.774SS**  trans-121.8-173.8157.300000109.3
785P42.2Very low29.1Very low143 Ų143143.6 Ų143.693%0.92978%0.775SS**  -149.8-155.35643.8-22.8000116.1
786A27.3Very low30.6Very low85 Ų85140 Ų14070%0.70277%0.766SS**  trans-104.1175.5-155.300000118.2
787K28.5Very low31.4Very low198 Ų198141.7 Ų141.786%0.86177%0.771SS**  trans81.7112.6141.3-82.1-179.5173-177.70123.2
788A28.5Very low31.5Very low88 Ų88134.1 Ų134.173%0.72776%0.76SS**  84.7172.5111.400000122.3
789I29.4Very low31.8Very low163 Ų163136.3 Ų136.384%0.83677%0.765SS**  trans82145.2177.5-56.5176.1000115.5
790S30.2Very low32Very low100 Ų100132.8 Ų132.870%0.69976%0.764SS**  172.8139.6-67.356.80000110.6
791V27.6Very low32.1Very low153 Ų153130.4 Ų130.493%0.92776%0.762SS**  trans-126.4162.1167.4-174.80000108.7
792S33.3Very low32.3Very low97 Ų97127.8 Ų127.868%0.67876%0.762SS**  trans-147.1171.2-155.563.50000115.9
793R36.3Very low32.5Very low222 Ų222123.2 Ų123.284%0.83876%0.761SS**  trans79.4146.5161.2-82.4179.1164.2168.3-3.7116.8
794T26.2Very low32.6Very low115 Ų115124 Ų12471%0.70677%0.77SS**  cis-134139.35.7470000114.2
795D31.3Very low32.7Very low135 Ų135124.3 Ų124.372%0.72277%0.774SS**  trans17.2166.7132.3-47.4-37.1000123.5
796P59.6Low32.9Very low121 Ų121123.2 Ų123.279%0.78677%0.766SS**  cis-114.3-47.1-12.831-28.2000124.3
797P44.2Very low33Very low112 Ų112124.4 Ų124.473%0.72777%0.77SS**  trans-127.3172-133.241.3-26.2000117.1
798A32.7Very low32.9Very low87 Ų87122.3 Ų122.372%0.71977%0.766SS**  cis-167.7147.8-32.500000110.4
799V34Very low32.7Very low130 Ų130123.1 Ų123.179%0.78877%0.766SS**  trans47.5129146.5172.90000119
800N30.4Very low33Very low157 Ų157124 Ų12484%0.8477%0.767SS**  cis-166.8-179-2.7-108.80.4000107.8
801G28.2Very low33.5Very low63 Ų63125.1 Ų125.165%0.64977%0.772SS**  cis164.8157.2-6.100000112
802A29.3Very low33.3Very low96 Ų96124.3 Ų124.379%0.79376%0.763SS**  trans58.5133.3177.800000118.1
803S30.6Very low33.5Very low106 Ų106126.3 Ų126.374%0.74177%0.765SS**  cis87.4110.415.488.50000117.7
804L30.3Very low33.1Very low177 Ų177121.8 Ų121.893%0.92776%0.762SS**  trans166.5160.6132.3-89.3164.9000111.2
805G27.3Very low33.1Very low63 Ų63121.7 Ų121.765%0.64977%0.766SS**  trans-112-146.7159.200000109.3
806P46.7Very low32.8Very low119 Ų119120.9 Ų120.977%0.77377%0.766SS**  cis-137.1168.1-13.941.6-26.2000114.8
807S28.3Very low31.2Very low111 Ų111123.5 Ų123.578%0.77677%0.765SS**  trans62.7177.9158-151.10000117.9
808I25.8Very low30.4Very low154 Ų154123.3 Ų123.379%0.7975%0.754SS**  trans48.1147.9166.661.5168.9000119.4
809S25Very low30.1Very low104 Ų104129.4 Ų129.473%0.72776%0.759SS**  cis-170177.8-27.653.90000106.5
810E35.6Very low29.8Very low181 Ų181128.4 Ų128.485%0.84675%0.752SS**  trans-59.5162.6171.8-59.3165133.300111.9
811P40.2Very low29.7Very low125 Ų125129.5 Ų129.581%0.81275%0.75SS**  -145.9164.197.640-25.5000117.9
812D24.5Very low29.6Very low136 Ų136135.9 Ų135.973%0.72776%0.76SS**  trans-31151.9167.2-78.2-57000121.8
813L37.9Very low29.5Very low139 Ų139138 Ų13873%0.72875%0.753SS**  29.4132.9126.8-48.2166.8000119.8
814T26.8Very low29.7Very low126 Ų126135.4 Ų135.477%0.77373%0.734SS**  169.5160.3101.436.90000112.9
815S27.3Very low29.5Very low113 Ų113130.3 Ų130.379%0.7971%0.71SS**  trans74.7161.815184.70000118.8
816V24Very low29.5Very low119 Ų119131.4 Ų131.472%0.72170%0.696SS**  cis-167.1146.2-46.596.90000109.6
817K25.3Very low28.6Very low175 Ų175130.8 Ų130.876%0.76168%0.683SS**  trans63.3164.8164.9-69.7174.5161.3-152.60117.3
818E28.7Very low28.4Very low109 Ų109134 Ų13451%0.50968%0.679SS.*  cis-156.9156.8-17.1-119.3176.7111.300110.7
819R26.3Very low29.1Very low215 Ų215131.1 Ų131.181%0.81167%0.67SS**  trans70.6147.7145.9-77.7-178.5-156.7-160.79.2120.2
820V26.8Very low29.1Very low108 Ų108132.5 Ų132.566%0.65567%0.674SS**  cis-162.3140.2-14.490.50000113.5
821K28.7Very low28.8Very low181 Ų181128.5 Ų128.579%0.78767%0.666SS**  trans61.7160154.9-75.2161.3-173.1178.20118.5
822K27.2Very low28.4Very low197 Ų197131.2 Ų131.286%0.85767%0.667SS**  cis-143.1168.28.9-142.7170.6-179.6-171.10112.5
823E26.1Very low28.6Very low141 Ų141133.7 Ų133.766%0.65968%0.677SS**  trans-117171.6-169.5-127.9-173.6143.700111.4V825E823-V825 HydrophobicContact CB-CG2 4.2Å; E823-V825 VanDerWaalsContact CD-N 3.33Å; E823-V825 HydrophobicContact CG-CG2 4.32Å; E823-V825 WeakPolarHBondContact OE1-CA 3.42Å; E823-V825 PolarHBondContact OE1-N 3.09Å
824P35.2Very low28.2Very low51 Ų51137 Ų13733%0.33169%0.686SS.*  -124126.487.17.413.6000113.4H684 E685H684-P824 WeakPolarHBondContact CB-O 3.15Å; H684-P824 VanDerWaalsContact CG-O 3.27Å; H684-P824 PolarHBondContact ND1-O 2.88Å; E685-P824 HydrophobicContact CG-CB 4.32Å; E685-P824 VanDerWaalsContact OE1-CB 3.29Å; E685-P824 WeakPolarHBondContact OE1-CB 3.36Å
825V26.3Very low28.5Very low70 Ų70134.2 Ų134.242%0.42467%0.671SS.*  60.3140.181.3174.30000114.4E685 E823E685-V825 WeakPolarHBondContact CA-O 3.38Å; E685-V825 WeakPolarHBondContact CG-O 3.41Å; E823-V825 HydrophobicContact CB-CG2 4.2Å; E823-V825 VanDerWaalsContact CD-N 3.33Å; E823-V825 HydrophobicContact CG-CG2 4.32Å; E823-V825 WeakPolarHBondContact OE1-CA 3.42Å; E823-V825 PolarHBondContact OE1-N 3.09Å
826K26.3Very low29Very low85 Ų85136 Ų13637%0.3767%0.671SS.*  trans145.2121.5171.1-73.5162.3164.1-174.50114.2E685 V686 P687E685-K826 HydrophobicContact CB-CB 4.5Å; V686-K826 VanDerWaalsContact C-CB 3.47Å; V686-K826 VanDerWaalsContact N-CA 3.33Å; V686-K826 CarbonylContact O-C 3.57Å; V686-K826 VanDerWaalsContact O-CB 3.23Å; V686-K826 WeakPolarHBondContact O-CB 3.4Å; V686-K826 WeakPolarHBondContact O-CG 3.47Å; P687-K826 HydrophobicContact CB-CD 4.07Å; P687-K826 HydrophobicContact CG-CD 4.24Å
827E27.5Very low29.8Very low106 Ų106137.3 Ų137.350%0.49567%0.67SS.*  trans-147.6148.6-166.9-53.5-171.6115.400119.4V686V686-E827 PolarHBondContact O-N 2.94Å
828R25.6Very low30.4Very low180 Ų180133.9 Ų133.968%0.67966%0.659SS**  trans73.8168.6139.6-83.5-179.4-154118.216.6120.1
829P39.1Very low31Very low92 Ų92132.7 Ų132.760%0.59766%0.663SS**  cis-137.4157.415.241.3-23.3000120.5
830V25.9Very low32.1Very low134 Ų134128.2 Ų128.281%0.81265%0.654SS**  trans63.1138.3138.11710000118.5
831S28.4Very low32.9Very low97 Ų97127.7 Ų127.768%0.67865%0.647SS**  cis-139.616327.9-47.30000116.5
832E31.5Very low33.5Very low182 Ų182125.9 Ų125.985%0.8564%0.641SS**  trans35.3115.5141.3-66173.4-173.200122.9
833M30.6Very low34.4Very low188 Ų188125.4 Ų125.493%0.92663%0.634SS**  -178.8135.5121.2-99.517769.500109.6
834F29.4Very low35.4Very low209 Ų209123.3 Ų123.392%0.91762%0.624SS**  trans-120.2140.1-175.4-94.7-82.7000114.8
835S33.1Very low35.8Very low67 Ų67126.4 Ų126.447%0.46964%0.635SS.*  trans17.1128.1152.6-156.50000120.2D838S835-D838 WeakPolarHBondContact CB-OD2 3.39Å; S835-D838 PolarHBondContact OG-OD2 2.79Å
836L37.5Very low37.1Very low151 Ų151130.3 Ų130.379%0.79165%0.651SS**SBendtrans-108.7-13.3166.9-139.890.5000113.6
837E40.7Very low38.6Very low146 Ų146130.7 Ų130.768%0.68266%0.656SS**SBendtrans-72.7-34.1-172.4-95.767.5-160.900114.3S839E837-S839 PolarHBondContact O-N 3.05Å
838D36.6Very low39.6Very low102 Ų102132.2 Ų132.255%0.54566%0.657SS.*Hα-helixtrans-68.7-33.2-168.4-60.9-66.8000113.5S835 I840 I841 E842S835-D838 WeakPolarHBondContact CB-OD2 3.39Å; S835-D838 PolarHBondContact OG-OD2 2.79Å; D838-I840 VanDerWaalsContact C-N 3.28Å; D838-I840 PolarHBondContact O-N 3.29Å; D838-I841 PolarHBondContact O-N 2.82Å; D838-E842 PolarHBondContact O-N 2.79Å
839S42.9Very low40.7Very low85 Ų85127.9 Ų127.959%0.59465%0.647SS**Hα-helixtrans-66.4-25.1-173.7-171.50000114E837 R843E837-S839 PolarHBondContact O-N 3.05Å; S839-R843 WeakPolarHBondContact O-CB 3.35Å; S839-R843 PolarHBondContact O-N 2.87Å
840I49.2Very low41.4Very low121 Ų121128.4 Ų128.462%0.62165%0.645SS**Hα-helixtrans-73.5-39.4178.3-59.8177.6000110.4D838 R843 E844D838-I840 VanDerWaalsContact C-N 3.28Å; D838-I840 PolarHBondContact O-N 3.29Å; I840-R843 PolarHBondContact O-N 2.85Å; I840-E844 PolarHBondContact O-N 2.81Å; I840-E844 VanDerWaalsContact O-N 3.12Å
841I43.5Very low42.4Very low96 Ų96127.6 Ų127.649%0.49263%0.632SS.*Hα-helixtrans-72-43.4-175-61.6176.5000110.6D838 R843 E844 M845D838-I841 PolarHBondContact O-N 2.82Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 2.93Å; I841-E844 PolarHBondContact O-N 2.79Å; I841-M845 HydrophobicContact CG2-CE 3.61Å; I841-M845 WeakPolarHBondContact O-CG 3.37Å; I841-M845 PolarHBondContact O-N 3.42Å
842E41.5Very low43.2Very low144 Ų144129.8 Ų129.867%0.67363%0.63SS**Hα-helixtrans-59-41.1173.6-68.2-165.2130.400111.9D838 M845 M846D838-E842 PolarHBondContact O-N 2.79Å; E842-M845 PolarHBondContact O-N 2.9Å; E842-M846 WeakPolarHBondContact O-CB 3.49Å; E842-M846 PolarHBondContact O-N 2.85Å
843R45.9Very low43.8Very low186 Ų186128.1 Ų128.170%0.70262%0.622SS**Hα-helixtrans-65.7-40.9-179.4-164173.7-171.6172.52.8112.5S839 I840 I841 I847S839-R843 WeakPolarHBondContact O-CB 3.35Å; S839-R843 PolarHBondContact O-N 2.87Å; I840-R843 PolarHBondContact O-N 2.85Å; I841-R843 VanDerWaalsContact C-N 3.28Å; I841-R843 PolarHBondContact O-N 2.93Å; R843-I847 HydrophobicContact CG-CD1 4.45Å; R843-I847 WeakPolarHBondContact O-CG1 3.31Å; R843-I847 PolarHBondContact O-N 2.83Å
844E47.7Very low44.5Very low98 Ų98126.6 Ų126.646%0.45861%0.61SS.*Hα-helixtrans-63.5-43.9171.7-86.5-146.688.500112.4I840 I841 M846 I847 R848I840-E844 PolarHBondContact O-N 2.81Å; I840-E844 VanDerWaalsContact O-N 3.12Å; I841-E844 PolarHBondContact O-N 2.79Å; E844-M846 VanDerWaalsContact C-N 3.34Å; E844-M846 PolarHBondContact O-N 3.02Å; E844-I847 PolarHBondContact O-N 3.44Å; E844-R848 WeakPolarHBondContact O-CG 3.42Å; E844-R848 PolarHBondContact O-N 2.85Å; E844-R848 IonicContact OE1-CZ 2.65Å; E844-R848 IonicContact OE1-NE 3.76Å; E844-R848 IonicContact OE1-NH2 3.91Å; E844-R848 PolarHBondContact OE1-NH2 3.03Å; E844-R848 IonicContact OE2-NH2 2.65Å
845M43.4Very low45Very low115 Ų115123.1 Ų123.157%0.56760%0.598SS**Hα-helixtrans-65.5-37.3179.5-68.8-150.3-123.400112.3I841 E842 N849I841-M845 HydrophobicContact CG2-CE 3.61Å; I841-M845 WeakPolarHBondContact O-CG 3.37Å; I841-M845 PolarHBondContact O-N 3.42Å; E842-M845 PolarHBondContact O-N 2.9Å; M845-N849 WeakPolarHBondContact O-CB 3.49Å; M845-N849 PolarHBondContact O-N 2.93Å; M845-N849 PolarHBondContact O-ND2 3.1Å
846M53.5Low45.4Very low152 Ų152123 Ų12375%0.74960%0.601SS**Hα-helixtrans-61.8-44.9175.2-163.1-177.2-152.700111.7E842 E844 N849 L850E842-M846 WeakPolarHBondContact O-CB 3.49Å; E842-M846 PolarHBondContact O-N 2.85Å; E844-M846 VanDerWaalsContact C-N 3.34Å; E844-M846 PolarHBondContact O-N 3.02Å; M846-N849 PolarHBondContact O-N 3.3Å; M846-L850 PolarHBondContact O-N 3.42Å; M846-L850 VanDerWaalsContact O-N 3.07Å
847I57.6Low45.6Very low93 Ų93118.2 Ų118.248%0.47759%0.588SS.*Hα-helixtrans-64.5-50.1178.5-68166.8000110.8R843 E844 N849 L850 E851R843-I847 HydrophobicContact CG-CD1 4.45Å; R843-I847 WeakPolarHBondContact O-CG1 3.31Å; R843-I847 PolarHBondContact O-N 2.83Å; E844-I847 PolarHBondContact O-N 3.44Å; I847-N849 VanDerWaalsContact C-N 3.26Å; I847-N849 PolarHBondContact O-N 3.21Å; I847-L850 WeakPolarHBondContact O-CB 3.15Å; I847-L850 PolarHBondContact O-N 3.18Å; I847-L850 VanDerWaalsContact O-N 3.11Å; I847-E851 PolarHBondContact O-N 3.12Å
848R48.5Very low45.7Very low138 Ų138116.7 Ų116.752%0.52158%0.584SS.*Hα-helixtrans-62.8-30.9180-66.7-178.6-165-179.87.5112.8E844 K852E844-R848 WeakPolarHBondContact O-CG 3.42Å; E844-R848 PolarHBondContact O-N 2.85Å; E844-R848 IonicContact OE1-CZ 2.65Å; E844-R848 IonicContact OE1-NE 3.76Å; E844-R848 IonicContact OE1-NH2 3.91Å; E844-R848 PolarHBondContact OE1-NH2 3.03Å; E844-R848 IonicContact OE2-NH2 2.65Å; R848-K852 WeakPolarHBondContact O-CG 3.49Å; R848-K852 PolarHBondContact O-N 3.17Å
849N47.9Very low45.6Very low89 Ų89116.1 Ų116.148%0.47658%0.578SS.*Hα-helixtrans-74.3-36.3174.8-75.9-25.9000112.5M845 M846 I847 E851 K852 Q853M845-N849 WeakPolarHBondContact O-CB 3.49Å; M845-N849 PolarHBondContact O-N 2.93Å; M845-N849 PolarHBondContact O-ND2 3.1Å; M846-N849 PolarHBondContact O-N 3.3Å; I847-N849 VanDerWaalsContact C-N 3.26Å; I847-N849 PolarHBondContact O-N 3.21Å; N849-E851 VanDerWaalsContact C-N 3.35Å; N849-K852 PolarHBondContact O-N 3.32Å; N849-Q853 PolarHBondContact O-N 2.93Å
850L53.6Low45.4Very low104 Ų104115.4 Ų115.455%0.54558%0.578SS.*Hα-helixtrans-65.3-37.9173.5-172.863.5000111.9M846 I847 Q853 K854M846-L850 PolarHBondContact O-N 3.42Å; M846-L850 VanDerWaalsContact O-N 3.07Å; I847-L850 WeakPolarHBondContact O-CB 3.15Å; I847-L850 PolarHBondContact O-N 3.18Å; I847-L850 VanDerWaalsContact O-N 3.11Å; L850-Q853 PolarHBondContact O-N 2.9Å; L850-K854 PolarHBondContact O-N 3.02Å
851E47.2Very low45.1Very low116 Ų116117.6 Ų117.654%0.54259%0.585SS.*Hα-helixtrans-66.8-43.1172.8-69.2-176.514000112.4I847 N849 Q853 K854 M855I847-E851 PolarHBondContact O-N 3.12Å; N849-E851 VanDerWaalsContact C-N 3.35Å; E851-Q853 VanDerWaalsContact C-N 3.31Å; E851-Q853 PolarHBondContact O-N 2.89Å; E851-K854 PolarHBondContact O-N 3.14Å; E851-M855 WeakPolarHBondContact O-CG 3.48Å; E851-M855 PolarHBondContact O-N 3.42Å
852K46.1Very low45.2Very low144 Ų144119.3 Ų119.363%0.62659%0.589SS**Hα-helixtrans-58.8-40.8173.4-78.3174.6178.8179.60112.3R848 N849 M855 A856R848-K852 WeakPolarHBondContact O-CG 3.49Å; R848-K852 PolarHBondContact O-N 3.17Å; N849-K852 PolarHBondContact O-N 3.32Å; K852-M855 PolarHBondContact O-N 2.73Å; K852-A856 WeakPolarHBondContact O-CB 3.26Å; K852-A856 PolarHBondContact O-N 3.19Å
853Q43.3Very low45.2Very low146 Ų146120.3 Ų120.368%0.68259%0.587SS**Hα-helixtrans-64.8-43174.7-76.1-175.3-16.100112.3N849 L850 E851 M855 A856 G857N849-Q853 PolarHBondContact O-N 2.93Å; L850-Q853 PolarHBondContact O-N 2.9Å; E851-Q853 VanDerWaalsContact C-N 3.31Å; E851-Q853 PolarHBondContact O-N 2.89Å; Q853-M855 PolarHBondContact O-N 3.04Å; Q853-A856 PolarHBondContact O-N 3.42Å; Q853-G857 PolarHBondContact O-N 2.91Å
854K44.8Very low44.9Very low156 Ų156115.7 Ų115.768%0.67858%0.581SS**Hα-helixtrans-60.1-42.3173.7-81.6-175.9173.4179.40112.7L850 E851 G857L850-K854 PolarHBondContact O-N 3.02Å; E851-K854 PolarHBondContact O-N 3.14Å; K854-G857 PolarHBondContact O-N 3.32Å
855M40.2Very low44.7Very low136 Ų136117.5 Ų117.567%0.6759%0.593SS**Hα-helixtrans-71.2-36.1-179.3-68.8-67.3-84.300112.6E851 K852 Q853 G857 L858 E859E851-M855 WeakPolarHBondContact O-CG 3.48Å; E851-M855 PolarHBondContact O-N 3.42Å; K852-M855 PolarHBondContact O-N 2.73Å; Q853-M855 PolarHBondContact O-N 3.04Å; M855-G857 VanDerWaalsContact C-N 3.31Å; M855-G857 PolarHBondContact O-N 3.33Å; M855-L858 PolarHBondContact O-N 3.13Å; M855-E859 PolarHBondContact O-N 2.95Å
856A41.3Very low44.8Very low65 Ų65118.2 Ų118.254%0.53760%0.597SS.*Hα-helixtrans-61.4-37.1175.700000112.8K852 Q853 L858 E859K852-A856 WeakPolarHBondContact O-CB 3.26Å; K852-A856 PolarHBondContact O-N 3.19Å; Q853-A856 PolarHBondContact O-N 3.42Å; A856-L858 VanDerWaalsContact C-N 3.32Å; A856-L858 PolarHBondContact O-N 2.85Å; A856-E859 PolarHBondContact O-N 3.09Å
857G42Very low44.4Very low50 Ų50116.3 Ų116.352%0.51559%0.589SS.*Hα-helixtrans-63.3-33.4176.100000114Q853 K854 M855Q853-G857 PolarHBondContact O-N 2.91Å; K854-G857 PolarHBondContact O-N 3.32Å; M855-G857 VanDerWaalsContact C-N 3.31Å; M855-G857 PolarHBondContact O-N 3.33Å
858L42.7Very low43.9Very low114 Ų114114 Ų11460%0.59758%0.584SS**Hα-helixtrans-80.7-20-179.6-112.971.6000114.3M855 A856M855-L858 PolarHBondContact O-N 3.13Å; A856-L858 VanDerWaalsContact C-N 3.32Å; A856-L858 PolarHBondContact O-N 2.85Å
859E34.4Very low43.7Very low90 Ų90111.1 Ų111.142%0.42159%0.59SS.*Hα-helixtrans-73-41.2175.6-107.2-72.2119.700111.8M855 A856 Q861 K862 R863M855-E859 PolarHBondContact O-N 2.95Å; A856-E859 PolarHBondContact O-N 3.09Å; E859-Q861 VanDerWaalsContact C-N 3.25Å; E859-Q861 PolarHBondContact O-N 3.08Å; E859-K862 PolarHBondContact O-N 2.65Å; E859-R863 IonicContact OE2-CZ 3.23Å; E859-R863 VanDerWaalsContact OE2-CZ 3.23Å; E859-R863 IonicContact OE2-NE 2.93Å; E859-R863 PolarHBondContact OE2-NE 3.11Å; E859-R863 IonicContact OE2-NH2 2.68Å; E859-R863 PolarHBondContact OE2-NH2 2.95Å
860A38.2Very low43.5Very low71 Ų71113.4 Ų113.459%0.58760%0.601SS**Hα-helixtrans-58.4-34-172.800000113.7
861Q43.4Very low43.2Very low167 Ų167114.1 Ų114.178%0.7861%0.605SS**THydrogen-bonded Turntrans-82.8-12.4-173.9-146.7174.224.900114.2E859E859-Q861 VanDerWaalsContact C-N 3.25Å; E859-Q861 PolarHBondContact O-N 3.08Å
862K45.7Very low43Very low131 Ų131111.6 Ų111.657%0.5761%0.61SS**THydrogen-bonded Turntrans-94.6-24.5-173.9-67.8179.6-178.5175.40114.4E859 L865 M866E859-K862 PolarHBondContact O-N 2.65Å; K862-L865 PolarHBondContact O-N 3.35Å; K862-M866 PolarHBondContact O-N 3.4Å
863R41.7Very low42.6Very low165 Ų165111.1 Ų111.162%0.62361%0.614SS**Hα-helixtrans-63.8-38.5-173.9-62.5-176.5179.6-161.2-0.6114.5E859 L867E859-R863 IonicContact OE2-CZ 3.23Å; E859-R863 VanDerWaalsContact OE2-CZ 3.23Å; E859-R863 IonicContact OE2-NE 2.93Å; E859-R863 PolarHBondContact OE2-NE 3.11Å; E859-R863 IonicContact OE2-NH2 2.68Å; E859-R863 PolarHBondContact OE2-NH2 2.95Å; R863-L867 PolarHBondContact O-N 2.96Å
864P40.3Very low42.2Very low90 Ų90109.6 Ų109.658%0.58462%0.62SS**Hα-helixtrans-66-43.3177-22.134.2000113.5M866 L867 A868P864-M866 PolarHBondContact O-N 3.41Å; P864-L867 PolarHBondContact O-N 3.22Å; P864-A868 PolarHBondContact O-N 3.44Å; P864-A868 VanDerWaalsContact O-N 3.11Å
865L43.8Very low41.6Very low136 Ų136109 Ų10971%0.71263%0.629SS**Hα-helixtrans-65.9-38.1-179.3-82.9160.2000112.3K862 L867 A868 A869K862-L865 PolarHBondContact O-N 3.35Å; L865-L867 VanDerWaalsContact C-N 3.34Å; L865-A868 PolarHBondContact O-N 2.99Å; L865-A869 PolarHBondContact O-N 3.46Å
866M44.6Very low41.1Very low129 Ų129106.7 Ų106.764%0.63563%0.631SS**Hα-helixtrans-67.8-34.6176.8-164.916770.200112.2K862 P864 L870K862-M866 PolarHBondContact O-N 3.4Å; P864-M866 PolarHBondContact O-N 3.41Å; M866-L870 WeakPolarHBondContact O-CG 3.46Å; M866-L870 PolarHBondContact O-N 2.82Å
867L46.1Very low40.8Very low113 Ų113115.6 Ų115.659%0.59265%0.651SS**Hα-helixtrans-69.5-38.1175.6-151.477.6000112.2R863 P864 L865 L870 N871R863-L867 PolarHBondContact O-N 2.96Å; P864-L867 PolarHBondContact O-N 3.22Å; L865-L867 VanDerWaalsContact C-N 3.34Å; L867-L870 PolarHBondContact O-N 3.42Å; L867-N871 PolarHBondContact O-N 3.45Å; L867-N871 PolarHBondContact O-ND2 2.96Å
868A45.2Very low40.1Very low44 Ų44120.3 Ų120.336%0.36467%0.669SS.*Hα-helixtrans-64.1-40.1176.300000112.5P864 L865 N871P864-A868 PolarHBondContact O-N 3.44Å; P864-A868 VanDerWaalsContact O-N 3.11Å; L865-A868 PolarHBondContact O-N 2.99Å; A868-N871 PolarHBondContact O-N 3.05Å
869A46.2Very low39.5Very low78 Ų78120.5 Ų120.565%0.64568%0.68SS**Hα-helixtrans-66.1-37.7177.300000112.9L865 N871 G872L865-A869 PolarHBondContact O-N 3.46Å; A869-N871 VanDerWaalsContact C-N 3.29Å; A869-N871 PolarHBondContact O-N 3.45Å; A869-G872 PolarHBondContact O-N 3.09Å
870L43.6Very low39.1Very low137 Ų137119.9 Ų119.972%0.71770%0.698SS**Hα-helixtrans-71.1-22.2177.8-71.8169.1000113.3M866 L867 G872M866-L870 WeakPolarHBondContact O-CG 3.46Å; M866-L870 PolarHBondContact O-N 2.82Å; L867-L870 PolarHBondContact O-N 3.42Å; L870-G872 VanDerWaalsContact C-N 3.33Å
871N46.8Very low38.5Very low118 Ų118126.1 Ų126.163%0.63171%0.706SS**THydrogen-bonded Turntrans-89.312.1177.1-70.8-24.6000114L867 A868 A869 L873L867-N871 PolarHBondContact O-N 3.45Å; L867-N871 PolarHBondContact O-ND2 2.96Å; A868-N871 PolarHBondContact O-N 3.05Å; A869-N871 VanDerWaalsContact C-N 3.29Å; A869-N871 PolarHBondContact O-N 3.45Å; N871-L873 VanDerWaalsContact C-N 3.33Å; N871-L873 PolarHBondContact O-N 2.84Å
872G42.8Very low37.9Very low63 Ų63125 Ų12565%0.64970%0.701SS**THydrogen-bonded Turntrans74.211.916900000116.5A869 L870 S874A869-G872 PolarHBondContact O-N 3.09Å; L870-G872 VanDerWaalsContact C-N 3.33Å; G872-S874 PolarHBondContact O-N 3.18Å; G872-S874 VanDerWaalsContact O-N 3.13Å
873L38.1Very low36.9Very low135 Ų135128 Ų12871%0.70772%0.717SS**  trans-79.892.3-178.3-68.9174.3000112.2N871 V875N871-L873 VanDerWaalsContact C-N 3.33Å; N871-L873 PolarHBondContact O-N 2.84Å; L873-V875 PolarHBondContact O-N 2.9Å
874S34.8Very low36.5Very low114 Ų114127 Ų12780%0.79772%0.724SS**  trans-79.1110.1170.660.90000111.6G872 A876G872-S874 PolarHBondContact O-N 3.18Å; G872-S874 VanDerWaalsContact O-N 3.13Å; S874-A876 PolarHBondContact O-N 3.14Å
875V32.4Very low36Very low143 Ų143134.7 Ų134.787%0.86774%0.742SS**PPolyproline II helixtrans-75.6121.1173-179.50000109.9L873L873-V875 PolarHBondContact O-N 2.9Å
876A28.1Very low35.4Very low88 Ų88133.9 Ų133.973%0.72774%0.742SS**PPolyproline II helixtrans-74.4153.517700000112.1S874S874-A876 PolarHBondContact O-N 3.14Å
877R35.2Very low34.6Very low252 Ų252135.7 Ų135.795%0.95175%0.754SS**PPolyproline II helixtrans-72.4140.2172.8-70.8179.1176.1157.8-2.3111
878V26.9Very low34Very low148 Ų148134.2 Ų134.290%0.89776%0.759SS**  trans-123.8141.9156.4179.70000107.7
879S31.8Very low33.6Very low119 Ų119138.6 Ų138.683%0.83278%0.781SS**  trans-112.5128.2-177.452.10000111.1
880G24.9Very low33.1Very low77 Ų77146.3 Ų146.379%0.79479%0.793SS**  trans-161.980.5-175.700000115.1
881R27Very low33Very low202 Ų202145.9 Ų145.976%0.76280%0.796SS**  trans21.6133.8144.3-168.8170.9-176.9-150.3-17.2122.1
882E29.5Very low32.8Very low144 Ų144145.7 Ų145.767%0.67380%0.801SS**  trans64130.5158.8-76.7152.9-162.700117.5
883E25.1Very low33.4Very low192 Ų192146.9 Ų146.990%0.89779%0.791SS**  -147.717260.4-135.1178.5-158.900114.8
884N32.7Very low34.9Very low145 Ų145143 Ų14378%0.77577%0.771SS**  trans-92.1128.5-178.1-76.3-52.7000113.4
885R30.2Very low37Very low252 Ų252144.3 Ų144.395%0.95176%0.764SS**  trans-136.3140.6142-72.1-161.9176.1-151-3.2110
886V30.6Very low39.3Very low119 Ų119141.3 Ų141.372%0.72174%0.737SS**  trans-105.6118.6-167.2177.30000110.1A888V886-A888 HydrophobicContact CG1-CB 3.58Å
887D27.6Very low42Very low167 Ų167137.5 Ų137.589%0.89371%0.705SS**  trans-112.396.5162.7-103.8-28.8000108.1
888A35.5Very low44.3Very low82 Ų82131.7 Ų131.768%0.67868%0.683SS**  trans-116.159.6-167.900000113.4V886V886-A888 HydrophobicContact CG1-CB 3.58Å
889T35.3Very low47.2Very low135 Ų135128.1 Ų128.183%0.82866%0.661SS**  trans-130.231.4176.5460000113
890R37.1Very low49.9Very low240 Ų240123.3 Ų123.391%0.90663%0.626SS**  trans-122.4109.3171.7-72.4-172.8175.5-179.70.4111.7
891V39.6Very low53Low129 Ų129123.6 Ų123.678%0.78261%0.605SS**  trans-50.7141.6169.8-1800000110.2M893V891-M893 PolarHBondContact O-N 2.74Å
892P44.3Very low56Low114 Ų114119.2 Ų119.274%0.7459%0.592SS**  trans-6099.6176.8-24.435.3000112.1D894P892-D894 PolarHBondContact O-N 2.84Å
893M55Low58.8Low88 Ų88113.9 Ų113.943%0.43357%0.567SS.*  trans-53.6108.2175.5-70.6-93.3-81.700110.6V891 E895 F897 R898 R1185V891-M893 PolarHBondContact O-N 2.74Å; M893-E895 PolarHBondContact O-N 2.97Å; M893-F897 HydrophobicContact CE-CD1 3.72Å; M893-F897 HydrophobicContact CE-CE1 3.45Å; M893-F897 VanDerWaalsContact CE-CE1 3.45Å; M893-F897 HydrophobicContact CE-CZ 4.48Å; M893-R898 HydrophobicContact CB-CG 4.33Å; M893-R898 WeakPolarHBondContact O-CD 3.16Å; M893-R898 VanDerWaalsContact O-CZ 3.29Å; M893-R898 PolarHBondContact O-NE 3.15Å; M893-R898 VanDerWaalsContact O-NE 3.17Å; M893-R1185 PolarHBondContact SD-NH1 3.11Å
894D69.4Low61.8Low52 Ų52106.6 Ų106.628%0.27853%0.534SS..  trans-50.6139.4-177.8125.672.3000111.6P892 R896 F897 R898 R1185P892-D894 PolarHBondContact O-N 2.84Å; D894-R896 PolarHBondContact O-N 3.14Å; D894-R896 WeakPolarHBondContact OD1-CB 3.4Å; D894-R896 WeakPolarHBondContact OD1-CG 3.41Å; D894-R896 PolarHBondContact OD1-N 3.29Å; D894-R896 IonicContact OD1-NE 2.81Å; D894-R896 PolarHBondContact OD1-NE 2.93Å; D894-R896 IonicContact OD2-NE 3.42Å; D894-F897 PolarHBondContact O-N 2.92Å; D894-R898 PolarHBondContact O-N 3Å; D894-R1185 VanDerWaalsContact CA-NH2 3.31Å; D894-R1185 PolarHBondContact O-NH2 2.88Å; D894-R1185 IonicContact OD2-CZ 3.81Å; D894-R1185 IonicContact OD2-NH2 2.74Å; D894-R1185 PolarHBondContact OD2-NH2 3.44Å
895E78.8Confident64.4Low142 Ų142106.1 Ų106.166%0.66453%0.527SS*.Hα-helixtrans-68.9-22.2-166.1-55.5-163.1133.200113M893 R898 T899M893-E895 PolarHBondContact O-N 2.97Å; E895-R898 PolarHBondContact O-N 3.2Å; E895-T899 VanDerWaalsContact O-CB 3.27Å; E895-T899 WeakPolarHBondContact O-CB 3.45Å; E895-T899 PolarHBondContact O-N 3.43Å; E895-T899 PolarHBondContact O-OG1 3.17Å
896R80.1Confident67.1Low80 Ų8099.5 Ų99.530%0.30251%0.506SS..Hα-helixtrans-64.1-49.4174.4-63178.9-65.4172.6-3.9110.7D894 R898 T899 L900 L1141 N1144D894-R896 PolarHBondContact O-N 3.14Å; D894-R896 WeakPolarHBondContact OD1-CB 3.4Å; D894-R896 WeakPolarHBondContact OD1-CG 3.41Å; D894-R896 PolarHBondContact OD1-N 3.29Å; D894-R896 IonicContact OD1-NE 2.81Å; D894-R896 PolarHBondContact OD1-NE 2.93Å; D894-R896 IonicContact OD2-NE 3.42Å; R896-R898 PolarHBondContact O-N 2.8Å; R896-T899 PolarHBondContact O-N 3.47Å; R896-L900 WeakPolarHBondContact O-CB 3.49Å; R896-L900 WeakPolarHBondContact O-CG 3.38Å; R896-L900 PolarHBondContact O-N 2.82Å; R896-L1141 PolarHBondContact NH1-O 3.18Å; R896-N1144 VanDerWaalsContact CZ-OD1 3.26Å; R896-N1144 PolarHBondContact NH1-OD1 2.73Å; R896-N1144 VanDerWaalsContact NH1-OD1 3.1Å; R896-N1144 PolarHBondContact NH2-OD1 3.23Å
897F84.6Confident69.5Low9 Ų995.2 Ų95.24%0.03949%0.486CS..Hα-helixtrans-58.1-47173.2177.8-92.5000111.9M893 D894 T899 L900 K901 I1178 L1181 Q1182M893-F897 HydrophobicContact CE-CD1 3.72Å; M893-F897 HydrophobicContact CE-CE1 3.45Å; M893-F897 VanDerWaalsContact CE-CE1 3.45Å; M893-F897 HydrophobicContact CE-CZ 4.48Å; D894-F897 PolarHBondContact O-N 2.92Å; F897-T899 PolarHBondContact O-N 3.48Å; F897-L900 PolarHBondContact O-N 3.11Å; F897-K901 HydrophobicContact CE1-CB 4.37Å; F897-K901 HydrophobicContact CE1-CD 3.78Å; F897-K901 HydrophobicContact CZ-CD 3.86Å; F897-K901 WeakPolarHBondContact O-CB 3.36Å; F897-K901 PolarHBondContact O-N 2.85Å; F897-I1178 HydrophobicContact CD2-CG2 4.47Å; F897-I1178 HydrophobicContact CE2-CB 4.43Å; F897-I1178 HydrophobicContact CE2-CG2 3.66Å; F897-I1178 HydrophobicContact CZ-CG2 4.24Å; F897-L1181 HydrophobicContact CB-CD1 4.15Å; F897-L1181 HydrophobicContact CD2-CB 3.92Å; F897-Q1182 HydrophobicContact CD2-CG 4.44Å; F897-Q1182 HydrophobicContact CE2-CG 3.54Å; F897-Q1182 HydrophobicContact CZ-CG 3.99Å
898R84.9Confident72.2Confident129 Ų12991.1 Ų91.149%0.48746%0.463SS..Hα-helixtrans-56.7-42.4177.2-70.4179.6171.9158.11.2111M893 D894 E895 R896 K902M893-R898 HydrophobicContact CB-CG 4.33Å; M893-R898 WeakPolarHBondContact O-CD 3.16Å; M893-R898 VanDerWaalsContact O-CZ 3.29Å; M893-R898 PolarHBondContact O-NE 3.15Å; M893-R898 VanDerWaalsContact O-NE 3.17Å; D894-R898 PolarHBondContact O-N 3Å; E895-R898 PolarHBondContact O-N 3.2Å; R896-R898 PolarHBondContact O-N 2.8Å; R898-K902 WeakPolarHBondContact O-CB 3.4Å; R898-K902 PolarHBondContact O-N 2.71Å
899T87.6Confident74.9Confident74 Ų7487.2 Ų87.245%0.45443%0.431SS..Hα-helixtrans-71.6-45.1-178.5-58.50000112.4E895 R896 F897 K902 K903E895-T899 VanDerWaalsContact O-CB 3.27Å; E895-T899 WeakPolarHBondContact O-CB 3.45Å; E895-T899 PolarHBondContact O-N 3.43Å; E895-T899 PolarHBondContact O-OG1 3.17Å; R896-T899 PolarHBondContact O-N 3.47Å; F897-T899 PolarHBondContact O-N 3.48Å; T899-K902 PolarHBondContact O-N 2.68Å; T899-K903 WeakPolarHBondContact O-CB 3.43Å; T899-K903 PolarHBondContact O-N 3.28Å
900L88.9Confident77.5Confident18 Ų1886.3 Ų86.39%0.09442%0.416CS..Hα-helixtrans-61.8-48.1175.9-69.6171.9000111R896 F897 K903 L904 L1141 V1149 Y1174 L1177 I1178 L1181R896-L900 WeakPolarHBondContact O-CB 3.49Å; R896-L900 WeakPolarHBondContact O-CG 3.38Å; R896-L900 PolarHBondContact O-N 2.82Å; F897-L900 PolarHBondContact O-N 3.11Å; L900-K903 PolarHBondContact O-N 3.4Å; L900-L904 PolarHBondContact O-N 3.44Å; L900-L904 VanDerWaalsContact O-N 3.14Å; L900-L1141 HydrophobicContact CD1-CD1 4.47Å; L900-V1149 HydrophobicContact CD2-CG2 4.22Å; L900-Y1174 HydrophobicContact CB-CD1 4.37Å; L900-Y1174 HydrophobicContact CB-CE1 4.5Å; L900-Y1174 HydrophobicContact CD2-CD1 3.91Å; L900-Y1174 HydrophobicContact CD2-CE1 3.51Å; L900-L1177 HydrophobicContact CD1-CB 4.22Å; L900-I1178 HydrophobicContact CB-CD1 4.36Å; L900-I1178 HydrophobicContact CB-CG1 3.92Å; L900-L1181 HydrophobicContact CD1-CD1 3.73Å
901K89.5Confident80Confident82 Ų8278.7 Ų78.736%0.35740%0.396SS..Hα-helixtrans-61.9-46177.3-178.4166.2175.9168.60111.5F897 L904 E905 I1178F897-K901 HydrophobicContact CE1-CB 4.37Å; F897-K901 HydrophobicContact CE1-CD 3.78Å; F897-K901 HydrophobicContact CZ-CD 3.86Å; F897-K901 WeakPolarHBondContact O-CB 3.36Å; F897-K901 PolarHBondContact O-N 2.85Å; K901-L904 PolarHBondContact O-N 3.44Å; K901-L904 VanDerWaalsContact O-N 3.16Å; K901-E905 WeakPolarHBondContact CE-OE1 3.2Å; K901-E905 WeakPolarHBondContact CE-OE2 3.46Å; K901-E905 HydrophobicContact CG-CG 4.19Å; K901-E905 WeakPolarHBondContact CG-OE2 2.82Å; K901-E905 IonicContact NZ-OE1 2.8Å; K901-E905 WeakPolarHBondContact O-CB 3.47Å; K901-E905 WeakPolarHBondContact O-CG 3.48Å; K901-E905 PolarHBondContact O-N 3.01Å; K901-I1178 HydrophobicContact CB-CD1 4.31Å
902K89.8Confident82.6Confident110 Ų11073.8 Ų73.848%0.47836%0.364SS..Hα-helixtrans-60.3-46.1175-176179.7-179.8-175.80112.8R898 T899 L904 E905 E906R898-K902 WeakPolarHBondContact O-CB 3.4Å; R898-K902 PolarHBondContact O-N 2.71Å; T899-K902 PolarHBondContact O-N 2.68Å; K902-L904 PolarHBondContact O-N 3.17Å; K902-E905 PolarHBondContact O-N 2.98Å; K902-E906 WeakPolarHBondContact CE-OE1 3.42Å; K902-E906 WeakPolarHBondContact CE-OE2 3.36Å; K902-E906 HydrophobicContact CG-CG 4.08Å; K902-E906 WeakPolarHBondContact CG-OE2 3.33Å; K902-E906 IonicContact NZ-OE1 2.74Å; K902-E906 WeakPolarHBondContact O-CB 3.49Å; K902-E906 PolarHBondContact O-N 2.77Å
903K87.8Confident85Confident32 Ų3268.6 Ų68.614%0.13933%0.33CS..Hα-helixtrans-55.9-36.5175-83.3-169.8178.3-169.60111.9T899 L900 M908 V909 E912 E1148 Y1174T899-K903 WeakPolarHBondContact O-CB 3.43Å; T899-K903 PolarHBondContact O-N 3.28Å; L900-K903 PolarHBondContact O-N 3.4Å; K903-M908 HydrophobicContact CG-CE 4.14Å; K903-M908 PolarHBondContact O-N 2.98Å; K903-M908 VanDerWaalsContact O-N 3.14Å; K903-V909 HydrophobicContact CB-CG1 4.2Å; K903-V909 PolarHBondContact O-N 2.93Å; K903-E912 WeakPolarHBondContact CE-OE2 3.29Å; K903-E912 IonicContact NZ-OE2 3.89Å; K903-E912 PolarHBondContact NZ-OE2 3.42Å; K903-E1148 IonicContact NZ-OE2 3.53Å; K903-E1148 PolarHBondContact NZ-OE2 3.05Å; K903-Y1174 HydrophobicContact CB-CE1 3.96Å; K903-Y1174 HydrophobicContact CD-CE1 4.01Å; K903-Y1174 WeakPolarHBondContact CD-OH 3.2Å
904L89.4Confident86.9Confident39 Ų3969 Ų6920%0.20433%0.331CS..Hα-helixtrans-78-46.2179.2-173.761.7000112.8L900 K901 K902 G907 V909 K1171 Q1175 I1178L900-L904 PolarHBondContact O-N 3.44Å; L900-L904 VanDerWaalsContact O-N 3.14Å; K901-L904 PolarHBondContact O-N 3.44Å; K901-L904 VanDerWaalsContact O-N 3.16Å; K902-L904 PolarHBondContact O-N 3.17Å; L904-G907 PolarHBondContact O-N 2.8Å; L904-V909 HydrophobicContact CD1-CG2 4.07Å; L904-K1171 HydrophobicContact CD1-CB 4.17Å; L904-K1171 HydrophobicContact CD1-CD 4.27Å; L904-K1171 HydrophobicContact CD1-CG 3.93Å; L904-Q1175 HydrophobicContact CD2-CG 3.86Å; L904-I1178 HydrophobicContact CB-CD1 4.2Å; L904-I1178 HydrophobicContact CD2-CD1 3.64Å
905E87.3Confident88.1Confident135 Ų13573.6 Ų73.663%0.63135%0.35SS*.Hα-helixtrans-68.4-42-179-72.8179.6146.200112.7K901 K902 G907K901-E905 WeakPolarHBondContact CE-OE1 3.2Å; K901-E905 WeakPolarHBondContact CE-OE2 3.46Å; K901-E905 HydrophobicContact CG-CG 4.19Å; K901-E905 WeakPolarHBondContact CG-OE2 2.82Å; K901-E905 IonicContact NZ-OE1 2.8Å; K901-E905 WeakPolarHBondContact O-CB 3.47Å; K901-E905 WeakPolarHBondContact O-CG 3.48Å; K901-E905 PolarHBondContact O-N 3.01Å; K902-E905 PolarHBondContact O-N 2.98Å; E905-G907 PolarHBondContact O-N 3.12Å
906E85.6Confident89Confident113 Ų11367.3 Ų67.353%0.52832%0.322SS..THydrogen-bonded Turntrans-77.43.2175.2-63.2-177.7159.300112.8K902 M908K902-E906 WeakPolarHBondContact CE-OE1 3.42Å; K902-E906 WeakPolarHBondContact CE-OE2 3.36Å; K902-E906 HydrophobicContact CG-CG 4.08Å; K902-E906 WeakPolarHBondContact CG-OE2 3.33Å; K902-E906 IonicContact NZ-OE1 2.74Å; K902-E906 WeakPolarHBondContact O-CB 3.49Å; K902-E906 PolarHBondContact O-N 2.77Å; E906-M908 HydrophobicContact CB-CE 4.24Å; E906-M908 HydrophobicContact CB-CG 4.14Å; E906-M908 PolarHBondContact O-N 3.36Å; E906-M908 VanDerWaalsContact O-N 3.09Å; E906-M908 WeakPolarHBondContact OE2-CE 3.39Å
907G81.3Confident89.8Confident29 Ų2966.6 Ų66.630%0.29933%0.327SS..  trans70.60.5176.100000115.9L904 E905 V909 F910L904-G907 PolarHBondContact O-N 2.8Å; E905-G907 PolarHBondContact O-N 3.12Å; G907-V909 PolarHBondContact O-N 2.9Å; G907-F910 PolarHBondContact O-N 2.83Å
908M85.1Confident90.3Very high81 Ų8169 Ų6940%0.39934%0.337SS..THydrogen-bonded Turntrans-55-29-174.5-66-167.6-74.200113.7K903 E906 F910 T911 E912K903-M908 HydrophobicContact CG-CE 4.14Å; K903-M908 PolarHBondContact O-N 2.98Å; K903-M908 VanDerWaalsContact O-N 3.14Å; E906-M908 HydrophobicContact CB-CE 4.24Å; E906-M908 HydrophobicContact CB-CG 4.14Å; E906-M908 PolarHBondContact O-N 3.36Å; E906-M908 VanDerWaalsContact O-N 3.09Å; E906-M908 WeakPolarHBondContact OE2-CE 3.39Å; M908-F910 PolarHBondContact O-N 2.93Å; M908-F910 VanDerWaalsContact O-N 3.09Å; M908-T911 PolarHBondContact O-N 3.37Å; M908-T911 VanDerWaalsContact O-N 3.1Å; M908-E912 PolarHBondContact O-N 2.8Å
909V90.6Very high90.8Very high0 Ų067.8 Ų67.80%034%0.336CS..Hα-helixtrans-52.6-23.9172.8-69.30000115.1K903 L904 G907 Y913 I1167 Y1170 K1171 Y1174K903-V909 HydrophobicContact CB-CG1 4.2Å; K903-V909 PolarHBondContact O-N 2.93Å; L904-V909 HydrophobicContact CD1-CG2 4.07Å; G907-V909 PolarHBondContact O-N 2.9Å; V909-Y913 VanDerWaalsContact O-CB 3.25Å; V909-Y913 WeakPolarHBondContact O-CB 3.48Å; V909-Y913 PolarHBondContact O-N 3.23Å; V909-Y913 VanDerWaalsContact O-N 3.09Å; V909-I1167 WeakPolarHBondContact O-CD1 3.37Å; V909-Y1170 HydrophobicContact CB-CD1 4.44Å; V909-K1171 HydrophobicContact CG2-CD 4.38Å; V909-K1171 HydrophobicContact CG2-CG 3.87Å; V909-Y1174 HydrophobicContact CG1-CD1 4.08Å; V909-Y1174 HydrophobicContact CG1-CD2 3.71Å; V909-Y1174 HydrophobicContact CG1-CE1 4.01Å; V909-Y1174 HydrophobicContact CG1-CE2 3.63Å; V909-Y1174 HydrophobicContact CG1-CG 3.94Å
910F90.3Very high91.1Very high117 Ų11767 Ų6751%0.51333%0.326SS..Hα-helixtrans-68.3-53.9172.8174.9-92000111.5G907 M908 E912 Y913 E914 I1167G907-F910 PolarHBondContact O-N 2.83Å; M908-F910 PolarHBondContact O-N 2.93Å; M908-F910 VanDerWaalsContact O-N 3.09Å; F910-E912 VanDerWaalsContact C-N 3.29Å; F910-E912 PolarHBondContact O-N 2.84Å; F910-Y913 PolarHBondContact O-N 2.83Å; F910-E914 HydrophobicContact CE2-CG 4.43Å; F910-E914 HydrophobicContact CZ-CG 4.24Å; F910-E914 PolarHBondContact O-N 3.43Å; F910-E914 VanDerWaalsContact O-N 3.14Å; F910-I1167 HydrophobicContact CB-CD1 4.39Å; F910-I1167 HydrophobicContact CD2-CG1 4.16Å
911T90.9Very high91.2Very high79 Ų7971.1 Ų71.149%0.48536%0.363SS..Hα-helixtrans-62.4-40179.8-53.30000110.9M908 Q915M908-T911 PolarHBondContact O-N 3.37Å; M908-T911 VanDerWaalsContact O-N 3.1Å; T911-Q915 VanDerWaalsContact O-CG 3.26Å; T911-Q915 WeakPolarHBondContact O-CG 3.2Å; T911-Q915 PolarHBondContact O-N 2.89Å
912E93.1Very high91.3Very high27 Ų2773.7 Ų73.713%0.12638%0.381CS..Hα-helixtrans-60.4-50175.1-168.9-175.380.700111.7K903 M908 F910 E914 Q915 I916 P1150 Y1170 Y1174K903-E912 WeakPolarHBondContact CE-OE2 3.29Å; K903-E912 IonicContact NZ-OE2 3.89Å; K903-E912 PolarHBondContact NZ-OE2 3.42Å; M908-E912 PolarHBondContact O-N 2.8Å; F910-E912 VanDerWaalsContact C-N 3.29Å; F910-E912 PolarHBondContact O-N 2.84Å; E912-E914 PolarHBondContact O-N 2.82Å; E912-Q915 PolarHBondContact O-N 2.88Å; E912-I916 WeakPolarHBondContact O-CG1 3.48Å; E912-I916 PolarHBondContact O-N 2.82Å; E912-P1150 HydrophobicContact CG-CB 3.77Å; E912-P1150 HydrophobicContact CG-CG 3.85Å; E912-Y1170 VanDerWaalsContact OE1-CE1 3.23Å; E912-Y1170 WeakPolarHBondContact OE1-CE1 3.17Å; E912-Y1170 PolarHBondContact OE1-OH 2.6Å; E912-Y1174 PolarHBondContact OE1-OH 3.17Å
913Y95.4Very high91.3Very high5 Ų569.1 Ų69.12%0.0237%0.365CS..Hα-helixtrans-62.9-38.8-179.1176.4-105000114.2V909 F910 L1153 R1157 I1164 Q1165 T1166 I1167 Y1170V909-Y913 VanDerWaalsContact O-CB 3.25Å; V909-Y913 WeakPolarHBondContact O-CB 3.48Å; V909-Y913 PolarHBondContact O-N 3.23Å; V909-Y913 VanDerWaalsContact O-N 3.09Å; F910-Y913 PolarHBondContact O-N 2.83Å; Y913-L1153 HydrophobicContact CD2-CD2 4.33Å; Y913-L1153 HydrophobicContact CE2-CD2 4.39Å; Y913-R1157 PolarHBondContact OH-NH2 2.72Å; Y913-I1164 HydrophobicContact CE2-CG2 3.85Å; Y913-I1164 PolarHBondContact OH-O 2.85Å; Y913-Q1165 WeakPolarHBondContact OH-CA 3.22Å; Y913-Q1165 PolarHBondContact OH-O 2.94Å; Y913-T1166 PolarHBondContact OH-N 3.03Å; Y913-I1167 HydrophobicContact CD1-CB 4.17Å; Y913-I1167 HydrophobicContact CD1-CD1 4.34Å; Y913-I1167 HydrophobicContact CG-CD1 4.22Å; Y913-Y1170 HydrophobicContact CD2-CD1 4.01Å; Y913-Y1170 AromaticContact CD2-CD2 3.95Å; Y913-Y1170 HydrophobicContact CD2-CD2 3.95Å; Y913-Y1170 AromaticContact CD2-CG 3.6Å; Y913-Y1170 HydrophobicContact CD2-CG 3.6Å; Y913-Y1170 HydrophobicContact CE2-CG 4.47Å; Y913-Y1170 HydrophobicContact CG-CD1 4.18Å; Y913-Y1170 HydrophobicContact CG-CG 4.17Å
914E94.3Very high91.7Very high96 Ų9672.6 Ų72.645%0.44938%0.384SS..Hα-helixtrans-77.1-23179.9-74.4-54.611600113.5F910 E912 K918F910-E914 HydrophobicContact CE2-CG 4.43Å; F910-E914 HydrophobicContact CZ-CG 4.24Å; F910-E914 PolarHBondContact O-N 3.43Å; F910-E914 VanDerWaalsContact O-N 3.14Å; E912-E914 PolarHBondContact O-N 2.82Å; E914-K918 IonicContact OE1-NZ 2.71Å; E914-K918 PolarHBondContact OE1-NZ 2.88Å; E914-K918 IonicContact OE2-NZ 3.63Å; E914-K918 PolarHBondContact OE2-NZ 2.57Å
915Q95.6Very high92Very high148 Ų14874.6 Ų74.669%0.69239%0.391SS*.Hα-helixtrans-73.2-23.6172.3-75.5175.97.100113.6T911 E912 P917T911-Q915 VanDerWaalsContact O-CG 3.26Å; T911-Q915 WeakPolarHBondContact O-CG 3.2Å; T911-Q915 PolarHBondContact O-N 2.89Å; E912-Q915 PolarHBondContact O-N 2.88Å; Q915-P917 WeakPolarHBondContact O-CD 3.25Å
916I96.8Very high92.5Very high11 Ų1171.3 Ų71.36%0.05638%0.383CS..SBendtrans-74121.4179.9-56160.9000109.2E912 K918 P1150 L1153 R1154 R1157 Y1170E912-I916 WeakPolarHBondContact O-CG1 3.48Å; E912-I916 PolarHBondContact O-N 2.82Å; I916-K918 PolarHBondContact O-N 2.91Å; I916-P1150 HydrophobicContact CD1-CB 3.68Å; I916-P1150 HydrophobicContact CG1-CB 4.04Å; I916-L1153 HydrophobicContact CD1-CB 4.3Å; I916-L1153 HydrophobicContact CD1-CD2 3.86Å; I916-L1153 HydrophobicContact CD1-CG 4.34Å; I916-R1154 HydrophobicContact CG2-CB 4.18Å; I916-R1157 PolarHBondContact O-NH1 3.28Å; I916-Y1170 HydrophobicContact CD1-CE2 4.41Å
917P96.8Very high93.1Very high64 Ų6466.9 Ų66.942%0.41636%0.363SS..  trans-52.1139.1175.9-2735.4000111.5Q915 K919 R1157Q915-P917 WeakPolarHBondContact O-CD 3.25Å; P917-K919 VanDerWaalsContact C-N 3.34Å; P917-R1157 WeakPolarHBondContact O-CD 3.48Å; P917-R1157 PolarHBondContact O-NH1 2.85Å
918K95.3Very high93.8Very high59 Ų5965.9 Ų65.926%0.25735%0.352SS..SBendtrans-77.1-21-178.2-49.7-56-170.9-165.50112.7E914 I916 F1162E914-K918 IonicContact OE1-NZ 2.71Å; E914-K918 PolarHBondContact OE1-NZ 2.88Å; E914-K918 IonicContact OE2-NZ 3.63Å; E914-K918 PolarHBondContact OE2-NZ 2.57Å; I916-K918 PolarHBondContact O-N 2.91Å; K918-F1162 HydrophobicContact CB-CD1 3.75Å; K918-F1162 HydrophobicContact CB-CE1 3.71Å; K918-F1162 PolarHBondContact O-N 2.84Å
919K95.1Very high94.3Very high105 Ų10565.1 Ų65.146%0.45736%0.359SS..SBendtrans-154.1163.4176.764.9176.7-178175.10111.5P917 Y945 M1161P917-K919 VanDerWaalsContact C-N 3.34Å; K919-Y945 WeakPolarHBondContact CA-OH 3.31Å; K919-M1161 HydrophobicContact CB-CB 3.68Å
920K94.3Very high94.6Very high56 Ų5668.2 Ų68.224%0.24338%0.375CS..  trans-57.1129.4169.7-173.6166.9-175.5177.10110.1N922 G923 Y945 E947 E1158K920-N922 VanDerWaalsContact C-N 3.3Å; K920-N922 PolarHBondContact O-N 3.4Å; K920-G923 PolarHBondContact O-N 3.13Å; K920-Y945 HydrophobicContact CB-CE1 3.96Å; K920-Y945 HydrophobicContact CB-CE2 4.28Å; K920-Y945 PolarHBondContact N-OH 3.27Å; K920-E947 IonicContact NZ-OE1 3.13Å; K920-E947 PolarHBondContact NZ-OE1 3.28Å; K920-E1158 WeakPolarHBondContact CB-OE2 3.43Å; K920-E1158 VanDerWaalsContact CG-OE2 3.29Å; K920-E1158 WeakPolarHBondContact CG-OE2 3.26Å
921A90.2Very high94.9Very high106 Ų10668.1 Ų68.188%0.87639%0.386SS*.THydrogen-bonded Turntrans-61.8-38.1-171.100000112.9
922N91.6Very high95.1Very high136 Ų13669 Ų6973%0.72739%0.385SS*.THydrogen-bonded Turntrans-123.939.9-178.352-28.4000111.2K920K920-N922 VanDerWaalsContact C-N 3.3Å; K920-N922 PolarHBondContact O-N 3.4Å
923G91.4Very high95.3Very high14 Ų1467.7 Ų67.714%0.14438%0.379CS..  trans-72.3134.3172.600000111.9K920 F925K920-G923 PolarHBondContact O-N 3.13Å; G923-F925 WeakPolarHBondContact O-CD1 3.43Å; G923-F925 WeakPolarHBondContact O-CE1 3.31Å
924I96.3Very high95.2Very high104 Ų10469 Ų6953%0.53339%0.39SS..  trans-94.5150.4178.2-57.8174.3000108.5Y945 E946I924-Y945 CarbonylContact O-C 3.55Å; I924-Y945 WeakPolarHBondContact O-CA 3.43Å; I924-Y945 WeakPolarHBondContact O-CB 3.43Å; I924-E946 HydrophobicContact CB-CB 4.25Å; I924-E946 HydrophobicContact CG2-CB 3.96Å; I924-E946 PolarHBondContact O-N 3.19Å
925F95.8Very high95.3Very high82 Ų8271.1 Ų71.136%0.3640%0.401SS..  trans-155.941.7-178.645.9-89000110.9G923 T927 A928 A929 V943 P944 E946G923-F925 WeakPolarHBondContact O-CD1 3.43Å; G923-F925 WeakPolarHBondContact O-CE1 3.31Å; F925-T927 PolarHBondContact O-N 2.57Å; F925-A928 HydrophobicContact CB-CB 4.38Å; F925-A928 PolarHBondContact O-N 2.97Å; F925-A929 HydrophobicContact CD2-CB 4.15Å; F925-A929 HydrophobicContact CE2-CB 4.5Å; F925-A929 WeakPolarHBondContact O-CB 3.49Å; F925-A929 PolarHBondContact O-N 2.98Å; F925-V943 HydrophobicContact CB-CG2 3.99Å; F925-V943 HydrophobicContact CD2-CG2 4.25Å; F925-V943 HydrophobicContact CG-CG2 4.12Å; F925-P944 WeakPolarHBondContact CB-O 3.44Å; F925-E946 VanDerWaalsContact C-OE2 3.32Å
926S97Very high95.4Very high65 Ų6565.7 Ų65.746%0.45537%0.374SS..THydrogen-bonded Turntrans-59.1-45.1-169.538.40000114.2A929 E946S926-A929 PolarHBondContact O-N 2.85Å; S926-E946 PolarHBondContact N-OE2 2.82Å; S926-E946 WeakPolarHBondContact OG-CG 3.5Å; S926-E946 PolarHBondContact OG-OE2 3.07Å
927T97.5Very high95.4Very high20 Ų2065.7 Ų65.712%0.12337%0.374CS..THydrogen-bonded Turntrans-70.9-34.7179.3-63.60000111.3F925 A929 L930 N933 E946 T960 Y962F925-T927 PolarHBondContact O-N 2.57Å; T927-A929 VanDerWaalsContact C-N 3.32Å; T927-L930 HydrophobicContact CG2-CD1 4.43Å; T927-L930 PolarHBondContact O-N 2.89Å; T927-N933 PolarHBondContact O-ND2 3.35Å; T927-E946 WeakPolarHBondContact CB-OE1 3.42Å; T927-E946 PolarHBondContact N-OE2 3.38Å; T927-E946 PolarHBondContact OG1-OE1 3.01Å; T927-T960 HydrophobicContact CG2-CG2 4.41Å; T927-Y962 HydrophobicContact CG2-CD2 4.08Å; T927-Y962 HydrophobicContact CG2-CG 4.38Å
928A96.8Very high95.3Very high8 Ų865.1 Ų65.17%0.06636%0.364CS..THydrogen-bonded Turntrans-71.6-26.8176.600000113F925 L930 V943 Y962F925-A928 HydrophobicContact CB-CB 4.38Å; F925-A928 PolarHBondContact O-N 2.97Å; A928-L930 VanDerWaalsContact C-N 3.33Å; A928-V943 HydrophobicContact CB-CB 3.77Å; A928-V943 HydrophobicContact CB-CG1 3.94Å; A928-V943 HydrophobicContact CB-CG2 4.33Å; A928-Y962 HydrophobicContact CB-CD2 4.49Å; A928-Y962 HydrophobicContact CB-CE2 3.56Å
929A96.3Very high95.3Very high66 Ų6665.3 Ų65.355%0.54537%0.367SS..THydrogen-bonded Turntrans-78.5-10.6176.700000114.2F925 S926 T927F925-A929 HydrophobicContact CD2-CB 4.15Å; F925-A929 HydrophobicContact CE2-CB 4.5Å; F925-A929 WeakPolarHBondContact O-CB 3.49Å; F925-A929 PolarHBondContact O-N 2.98Å; S926-A929 PolarHBondContact O-N 2.85Å; T927-A929 VanDerWaalsContact C-N 3.32Å
930L97.1Very high95.2Very high65 Ų6568.6 Ų68.634%0.3438%0.377SS..SBendtrans-64.9138.1179.1-63.8174.3000111T927 A928 E932 N933 A934 T960T927-L930 HydrophobicContact CG2-CD1 4.43Å; T927-L930 PolarHBondContact O-N 2.89Å; A928-L930 VanDerWaalsContact C-N 3.33Å; L930-E932 HydrophobicContact CB-CG 4Å; L930-E932 PolarHBondContact O-N 3.39Å; L930-E932 VanDerWaalsContact O-N 3.17Å; L930-N933 PolarHBondContact O-N 3.47Å; L930-A934 PolarHBondContact O-N 3.33Å; L930-T960 HydrophobicContact CD1-CG2 3.76Å
931P96.1Very high95.2Very high115 Ų11572.1 Ų72.175%0.74739%0.394SS*.Hα-helixtrans-54.8-37-178.9-28.735.9000114.2N933 A934P931-N933 PolarHBondContact O-N 3.28Å; P931-A934 WeakPolarHBondContact O-CB 3.27Å; P931-A934 PolarHBondContact O-N 3.25Å
932E94.4Very high95.5Very high96 Ų9667.4 Ų67.445%0.44935%0.354SS..Hα-helixtrans-61.8-20.6175.762.5177.2-11300114.3L930 R936 T960L930-E932 HydrophobicContact CB-CG 4Å; L930-E932 PolarHBondContact O-N 3.39Å; L930-E932 VanDerWaalsContact O-N 3.17Å; E932-R936 PolarHBondContact O-NH1 2.83Å; E932-T960 WeakPolarHBondContact OE1-CG2 3.42Å; E932-T960 PolarHBondContact OE1-OG1 3.18Å
933N97.1Very high95.8Very high0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-105.7-8.1-176.2-73.4-26.9000113.3T927 L930 P931 E935 R936 S937 T960 Y962T927-N933 PolarHBondContact O-ND2 3.35Å; L930-N933 PolarHBondContact O-N 3.47Å; P931-N933 PolarHBondContact O-N 3.28Å; N933-E935 VanDerWaalsContact C-N 3.28Å; N933-E935 PolarHBondContact O-N 3.45Å; N933-R936 PolarHBondContact O-N 2.89Å; N933-R936 VanDerWaalsContact O-N 3.14Å; N933-R936 PolarHBondContact OD1-NH1 3.26Å; N933-S937 PolarHBondContact O-OG 3.46Å; N933-T960 PolarHBondContact ND2-OG1 2.65Å; N933-Y962 HydrophobicContact CB-CD1 3.48Å; N933-Y962 VanDerWaalsContact CB-CD1 3.48Å; N933-Y962 HydrophobicContact CB-CE1 3.8Å; N933-Y962 HydrophobicContact CB-CG 3.99Å; N933-Y962 WeakPolarHBondContact ND2-CB 3.36Å; N933-Y962 WeakPolarHBondContact OD1-CB 3.47Å; N933-Y962 WeakPolarHBondContact OD1-CD1 3.3Å
934A94.4Very high96.2Very high32 Ų3260.9 Ų60.926%0.26432%0.317SS..Hα-helixtrans-61-36.4173.900000112.3L930 P931 S937L930-A934 PolarHBondContact O-N 3.33Å; P931-A934 WeakPolarHBondContact O-CB 3.27Å; P931-A934 PolarHBondContact O-N 3.25Å; A934-S937 PolarHBondContact O-N 3.06Å
935E95.6Very high96.3Very high142 Ų14256 Ų5666%0.66429%0.292SS*.THydrogen-bonded Turntrans-78.8-17.6177.1-60.9-166.2163.300113.6N933 S937 L986 H988N933-E935 VanDerWaalsContact C-N 3.28Å; N933-E935 PolarHBondContact O-N 3.45Å; E935-S937 PolarHBondContact O-N 3.34Å; E935-L986 WeakPolarHBondContact O-CD1 3.36Å; E935-H988 PolarHBondContact O-NE2 2.98Å
936R97.3Very high96.4Very high34 Ų3454 Ų5413%0.12828%0.283CS..THydrogen-bonded Turntrans-78.3-5.2173.2-67.3-173.6171.795.111.5112.8E932 N933 E957 N958 Y962 Q983 T989E932-R936 PolarHBondContact O-NH1 2.83Å; N933-R936 PolarHBondContact O-N 2.89Å; N933-R936 VanDerWaalsContact O-N 3.14Å; N933-R936 PolarHBondContact OD1-NH1 3.26Å; R936-E957 PolarHBondContact NH2-O 3.42Å; R936-N958 PolarHBondContact NE-ND2 3.34Å; R936-Y962 HydrophobicContact CB-CD1 3.84Å; R936-Y962 HydrophobicContact CB-CE1 3.85Å; R936-Y962 HydrophobicContact CG-CD1 4.49Å; R936-Q983 PolarHBondContact O-NE2 3.47Å; R936-T989 HydrophobicContact CB-CG2 4.22Å; R936-T989 HydrophobicContact CG-CG2 4.23Å
937S96.6Very high96.4Very high10 Ų1056 Ų567%0.0729%0.285CS..  trans-111.6121-177.3-58.80000111.4N933 A934 E935 I939 Y962 N964N933-S937 PolarHBondContact O-OG 3.46Å; A934-S937 PolarHBondContact O-N 3.06Å; E935-S937 PolarHBondContact O-N 3.34Å; S937-I939 VanDerWaalsContact C-N 3.31Å; S937-I939 PolarHBondContact O-N 3.24Å; S937-Y962 PolarHBondContact OG-OH 2.63Å; S937-N964 WeakPolarHBondContact CB-ND2 3.44Å; S937-N964 PolarHBondContact OG-ND2 2.86Å
938R95.7Very high96.5Very high53 Ų5356.2 Ų56.220%0.229%0.286CS..SBendtrans-66.7-31.7-177.5178.6179-72.9-87.11.1112.9G984 P985 L986 T1017 K1018 S1122R938-G984 PolarHBondContact NE-O 2.97Å; R938-G984 PolarHBondContact NH2-O 3.18Å; R938-G984 VanDerWaalsContact NH2-O 3.11Å; R938-P985 PolarHBondContact NH2-O 2.9Å; R938-L986 HydrophobicContact CB-CD1 4.44Å; R938-L986 HydrophobicContact CB-CD2 4.01Å; R938-L986 HydrophobicContact CB-CG 4.33Å; R938-L986 HydrophobicContact CG-CD2 4.18Å; R938-T1017 PolarHBondContact NH1-O 3.3Å; R938-K1018 PolarHBondContact NE-O 2.85Å; R938-K1018 PolarHBondContact NH1-O 2.76Å; R938-S1122 WeakPolarHBondContact CD-O 3.47Å; R938-S1122 WeakPolarHBondContact CD-OG 3.3Å
939I94.8Very high96.6Very high62 Ų6257.3 Ų57.332%0.31829%0.288SS..SBendtrans-128.4126169.7-61.1-167.2000105.3S937 E941 V942 A1123S937-I939 VanDerWaalsContact C-N 3.31Å; S937-I939 PolarHBondContact O-N 3.24Å; I939-E941 VanDerWaalsContact C-N 3.28Å; I939-E941 HydrophobicContact CG2-CB 4.31Å; I939-E941 WeakPolarHBondContact CG2-OE2 3.48Å; I939-E941 PolarHBondContact O-N 2.79Å; I939-V942 HydrophobicContact CB-CB 4.34Å; I939-V942 HydrophobicContact CB-CG2 4.35Å; I939-V942 HydrophobicContact CG2-CB 4.29Å; I939-V942 HydrophobicContact CG2-CG2 3.89Å; I939-V942 PolarHBondContact O-N 3.13Å; I939-A1123 HydrophobicContact CB-CB 4.5Å; I939-A1123 HydrophobicContact CD1-CB 3.75Å; I939-A1123 HydrophobicContact CG1-CB 4.16Å
940R92.7Very high96.7Very high175 Ų17554.1 Ų54.166%0.6626%0.262SS*.THydrogen-bonded Turntrans-73.4-26.1-171.6-69.4178.8171.8-177.3-3.7112.2V942R940-V942 VanDerWaalsContact C-N 3.3Å
941E93.9Very high96.7Very high130 Ų13056.4 Ų56.461%0.60727%0.271SS*.THydrogen-bonded Turntrans-82.8-7.5-177.4-56.168.6-15000112.6I939 F1162I939-E941 VanDerWaalsContact C-N 3.28Å; I939-E941 HydrophobicContact CG2-CB 4.31Å; I939-E941 WeakPolarHBondContact CG2-OE2 3.48Å; I939-E941 PolarHBondContact O-N 2.79Å; E941-F1162 WeakPolarHBondContact O-CE2 3.24Å
942V97.6Very high96.8Very high7 Ų751.4 Ų51.44%0.04224%0.238CC..  trans-121.199.5-177.9179.90000108.8I939 R940 N964 A1123 V1125 F1162I939-V942 HydrophobicContact CB-CB 4.34Å; I939-V942 HydrophobicContact CB-CG2 4.35Å; I939-V942 HydrophobicContact CG2-CB 4.29Å; I939-V942 HydrophobicContact CG2-CG2 3.89Å; I939-V942 PolarHBondContact O-N 3.13Å; R940-V942 VanDerWaalsContact C-N 3.3Å; V942-N964 PolarHBondContact O-ND2 3.16Å; V942-N964 PolarHBondContact O-OD1 3.06Å; V942-A1123 HydrophobicContact CG1-CB 4.32Å; V942-V1125 HydrophobicContact CG1-CB 4.38Å; V942-V1125 HydrophobicContact CG1-CG1 3.49Å; V942-V1125 VanDerWaalsContact CG1-CG1 3.49Å; V942-V1125 HydrophobicContact CG1-CG2 3.93Å; V942-V1125 HydrophobicContact CG2-CG2 4.47Å; V942-F1162 HydrophobicContact CG2-CD2 4.15Å
943V98.3Very high97Very high12 Ų1252.3 Ų52.37%0.07325%0.245CC..  trans-128.5158.7-177-690000111F925 A928 M1161F925-V943 HydrophobicContact CB-CG2 3.99Å; F925-V943 HydrophobicContact CD2-CG2 4.25Å; F925-V943 HydrophobicContact CG-CG2 4.12Å; A928-V943 HydrophobicContact CB-CB 3.77Å; A928-V943 HydrophobicContact CB-CG1 3.94Å; A928-V943 HydrophobicContact CB-CG2 4.33Å; V943-M1161 HydrophobicContact CG2-CE 3.57Å; V943-M1161 HydrophobicContact CG2-SD 3.96Å; V943-M1161 WeakPolarHBondContact O-CE 3.47Å; V943-M1161 WeakPolarHBondContact O-CG 3.29Å
944P98.4Very high97Very high1 Ų156.3 Ų56.31%0.00627%0.271CS..BIsolated β-bridgetrans-65.7156.9166.531-36.3000111F925 R949 Y962 A965 S966F925-P944 WeakPolarHBondContact CB-O 3.44Å; P944-R949 HydrophobicContact CB-CB 3.9Å; P944-R949 HydrophobicContact CG-CB 3.95Å; P944-Y962 HydrophobicContact CG-CE2 3.88Å; P944-A965 WeakPolarHBondContact CB-O 3.35Å; P944-S966 WeakPolarHBondContact CA-OG 3.46Å; P944-S966 WeakPolarHBondContact CB-OG 3.37Å
945Y98.6Very high97.1Very high1 Ų156.2 Ų56.20%0.00427%0.267CS..  trans-77.2157.2161.1-49.9-65.5000109.6K919 K920 I924 E947 N948 R949 R1157 E1158 Q1159 M1161K919-Y945 WeakPolarHBondContact CA-OH 3.31Å; K920-Y945 HydrophobicContact CB-CE1 3.96Å; K920-Y945 HydrophobicContact CB-CE2 4.28Å; K920-Y945 PolarHBondContact N-OH 3.27Å; I924-Y945 CarbonylContact O-C 3.55Å; I924-Y945 WeakPolarHBondContact O-CA 3.43Å; I924-Y945 WeakPolarHBondContact O-CB 3.43Å; Y945-E947 WeakPolarHBondContact CB-OE2 3.38Å; Y945-N948 PolarHBondContact O-OD1 3.49Å; Y945-R949 PolarHBondContact O-N 3.2Å; Y945-R1157 WeakPolarHBondContact CE2-O 3.45Å; Y945-R1157 PolarHBondContact OH-O 3.34Å; Y945-E1158 WeakPolarHBondContact CE2-O 3.22Å; Y945-Q1159 WeakPolarHBondContact CD2-O 3.29Å; Y945-M1161 HydrophobicContact CD1-CE 4.04Å; Y945-M1161 HydrophobicContact CE1-CB 4.3Å; Y945-M1161 HydrophobicContact CE1-CE 3.73Å; Y945-M1161 WeakPolarHBondContact OH-CA 3.07Å; Y945-M1161 PolarHBondContact OH-N 3.28Å
946E98.3Very high96.9Very high40 Ų4058.7 Ų58.719%0.18728%0.276CS..G310 helixtrans-67.3-42.5-173.6-161.367.8-160.400111.9I924 F925 S926 T927 N948 R949I924-E946 HydrophobicContact CB-CB 4.25Å; I924-E946 HydrophobicContact CG2-CB 3.96Å; I924-E946 PolarHBondContact O-N 3.19Å; F925-E946 VanDerWaalsContact C-OE2 3.32Å; S926-E946 PolarHBondContact N-OE2 2.82Å; S926-E946 WeakPolarHBondContact OG-CG 3.5Å; S926-E946 PolarHBondContact OG-OE2 3.07Å; T927-E946 WeakPolarHBondContact CB-OE1 3.42Å; T927-E946 PolarHBondContact N-OE2 3.38Å; T927-E946 PolarHBondContact OG1-OE1 3.01Å; E946-N948 PolarHBondContact O-N 2.99Å; E946-N948 VanDerWaalsContact O-N 3.12Å; E946-R949 IonicContact OE1-NE 2.64Å; E946-R949 PolarHBondContact OE1-NE 2.87Å
947E97.8Very high96.6Very high107 Ų10764.2 Ų64.250%0.530%0.303SS..G310 helixtrans-67.1-12-175.363.9-95.7-139.700115K920 Y945K920-E947 IonicContact NZ-OE1 3.13Å; K920-E947 PolarHBondContact NZ-OE1 3.28Å; Y945-E947 WeakPolarHBondContact CB-OE2 3.38Å
948N98.3Very high96.6Very high25 Ų2563.9 Ų63.913%0.13430%0.3CS..G310 helixtrans-14419.1-179.679.8-35000114.3Y945 E946 S966 H967 Q1159Y945-N948 PolarHBondContact O-OD1 3.49Å; E946-N948 PolarHBondContact O-N 2.99Å; E946-N948 VanDerWaalsContact O-N 3.12Å; N948-S966 WeakPolarHBondContact O-CA 3.43Å; N948-H967 PolarHBondContact ND2-O 3.37Å; N948-H967 PolarHBondContact O-N 3.44Å; N948-Q1159 PolarHBondContact ND2-O 2.98Å; N948-Q1159 PolarHBondContact OD1-O 3.46Å
949R98.4Very high96.7Very high30 Ų3066.3 Ų66.311%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-57.7150.6167.373.2-175.4-175.2110.5-1.6109.5P944 Y945 E946 E951 T960 A965P944-R949 HydrophobicContact CB-CB 3.9Å; P944-R949 HydrophobicContact CG-CB 3.95Å; Y945-R949 PolarHBondContact O-N 3.2Å; E946-R949 IonicContact OE1-NE 2.64Å; E946-R949 PolarHBondContact OE1-NE 2.87Å; R949-E951 HydrophobicContact CG-CG 3.94Å; R949-E951 IonicContact CZ-OE1 3.91Å; R949-E951 IonicContact NE-OE1 2.75Å; R949-E951 PolarHBondContact NE-OE1 3.22Å; R949-E951 VanDerWaalsContact NE-OE1 3.13Å; R949-E951 IonicContact NH2-OE1 2.76Å; R949-E951 PolarHBondContact NH2-OE1 2.83Å; R949-E951 PolarHBondContact O-N 3.48Å; R949-T960 PolarHBondContact NH1-O 2.98Å; R949-A965 WeakPolarHBondContact CA-O 3.4Å
950V98.7Very high96.7Very high0 Ų065 Ų650%031%0.312CS..EExtended strand (participates in β ladder)trans-78.5113.3167-170.70000108.1L952 I963 A965 I980 M996 Q1000V950-L952 HydrophobicContact CG1-CD2 4.48Å; V950-I963 HydrophobicContact CB-CG2 4.23Å; V950-A965 HydrophobicContact CB-CB 4.03Å; V950-A965 HydrophobicContact CG2-CB 3.64Å; V950-A965 PolarHBondContact N-O 2.71Å; V950-I980 HydrophobicContact CG2-CD1 4.32Å; V950-I980 HydrophobicContact CG2-CG1 4.02Å; V950-I980 HydrophobicContact CG2-CG2 3.81Å; V950-M996 HydrophobicContact CB-CG 4.41Å; V950-M996 HydrophobicContact CG1-CG 3.74Å; V950-M996 HydrophobicContact CG1-SD 4.46Å; V950-Q1000 HydrophobicContact CG1-CG 3.76Å
951E98.3Very high97Very high113 Ų11356.7 Ų56.753%0.52828%0.281SS..EExtended strand (participates in β ladder)trans-84.2126.5175.7-51.1-162.7135.800109.6R949R949-E951 HydrophobicContact CG-CG 3.94Å; R949-E951 IonicContact CZ-OE1 3.91Å; R949-E951 IonicContact NE-OE1 2.75Å; R949-E951 PolarHBondContact NE-OE1 3.22Å; R949-E951 VanDerWaalsContact NE-OE1 3.13Å; R949-E951 IonicContact NH2-OE1 2.76Å; R949-E951 PolarHBondContact NH2-OE1 2.83Å; R949-E951 PolarHBondContact O-N 3.48Å
952L98.4Very high97.2Very high9 Ų950.5 Ų50.55%0.04725%0.252CS..PPolyproline II helixtrans-95.6153.3171.2-53.1-175.1000110.3V950 P954 G961 I963 D992 M996 E999V950-L952 HydrophobicContact CG1-CD2 4.48Å; L952-P954 VanDerWaalsContact O-CD 3.26Å; L952-P954 WeakPolarHBondContact O-CD 3.39Å; L952-G961 WeakPolarHBondContact CB-O 3.36Å; L952-G961 PolarHBondContact N-O 2.81Å; L952-G961 WeakPolarHBondContact O-CA 3.29Å; L952-I963 HydrophobicContact CD1-CB 4.04Å; L952-I963 HydrophobicContact CD1-CG2 4.01Å; L952-I963 HydrophobicContact CD2-CG2 4.02Å; L952-I963 HydrophobicContact CG-CB 4.46Å; L952-I963 HydrophobicContact CG-CG2 3.91Å; L952-D992 HydrophobicContact CD1-CB 3.9Å; L952-M996 HydrophobicContact CD2-CB 3.65Å; L952-M996 HydrophobicContact CD2-CG 4.01Å; L952-E999 WeakPolarHBondContact CA-OE2 3.34Å
953I97.8Very high97.2Very high115 Ų11550.4 Ų50.459%0.5925%0.252SS*.PPolyproline II helixtrans-59.9120.6169.2-60.8175.2000108.8Q995 E999I953-Q995 PolarHBondContact O-NE2 3.34Å; I953-E999 WeakPolarHBondContact CB-OE1 3.47Å; I953-E999 HydrophobicContact CD1-CG 4.37Å; I953-E999 WeakPolarHBondContact CD1-OE1 3.41Å; I953-E999 WeakPolarHBondContact CG1-OE1 3.28Å; I953-E999 PolarHBondContact N-OE2 2.95Å
954P97.6Very high97.2Very high84 Ų8449.9 Ų49.955%0.54525%0.248SC..PPolyproline II helixtrans-55.8146.4-175.3-31.138.2000114.2L952L952-P954 VanDerWaalsContact O-CD 3.26Å; L952-P954 WeakPolarHBondContact O-CD 3.39Å
955T95.2Very high97.3Very high30 Ų3049.9 Ų49.918%0.18425%0.248CC..  trans-129.8162.9175.876.20000110.5E957 N958 N959T955-E957 PolarHBondContact O-N 2.86Å; T955-E957 VanDerWaalsContact O-N 3.1Å; T955-N958 PolarHBondContact N-O 2.95Å; T955-N958 CarbonylContact O-C 3.54Å; T955-N958 PolarHBondContact O-N 3.02Å; T955-N958 PolarHBondContact OG1-N 3.41Å; T955-N959 WeakPolarHBondContact O-CA 3.33Å; T955-N959 PolarHBondContact O-N 2.61Å; T955-N959 VanDerWaalsContact O-N 3.09Å; T955-N959 PolarHBondContact O-OD1 3.12Å
956K93.3Very high97.3Very high195 Ų19549.8 Ų49.885%0.84825%0.248SC*.SBendtrans-57.3-27.3178.7-172.4178.6178.3-176.10113.5N959K956-N959 PolarHBondContact O-ND2 2.99Å
957E90.9Very high97.3Very high150 Ų15049.5 Ų49.570%0.70125%0.246SC*.SBendtrans-91.4-29.7178.1-70.1162.5-13700111.8R936 T955R936-E957 PolarHBondContact NH2-O 3.42Å; T955-E957 PolarHBondContact O-N 2.86Å; T955-E957 VanDerWaalsContact O-N 3.1Å
958N96.6Very high97.3Very high2 Ų244.4 Ų44.41%0.01122%0.223CC..  trans-126.474.4178.6-168.4-11.3000110.2R936 T955 T960 G961 Y962 D992R936-N958 PolarHBondContact NE-ND2 3.34Å; T955-N958 PolarHBondContact N-O 2.95Å; T955-N958 CarbonylContact O-C 3.54Å; T955-N958 PolarHBondContact O-N 3.02Å; T955-N958 PolarHBondContact OG1-N 3.41Å; N958-T960 PolarHBondContact O-N 3.15Å; N958-G961 PolarHBondContact O-N 3.43Å; N958-G961 VanDerWaalsContact O-N 3.16Å; N958-G961 PolarHBondContact OD1-N 3.03Å; N958-Y962 PolarHBondContact ND2-N 2.96Å; N958-Y962 PolarHBondContact ND2-O 3.38Å; N958-Y962 PolarHBondContact OD1-N 3.35Å; N958-D992 PolarHBondContact ND2-OD1 2.86Å
959N96.3Very high97.3Very high104 Ų10447.2 Ų47.256%0.55623%0.233SC*.THydrogen-bonded Turntrans-68.2-19.7-171-60.7-74.4000113.4T955 K956T955-N959 WeakPolarHBondContact O-CA 3.33Å; T955-N959 PolarHBondContact O-N 2.61Å; T955-N959 VanDerWaalsContact O-N 3.09Å; T955-N959 PolarHBondContact O-OD1 3.12Å; K956-N959 PolarHBondContact O-ND2 2.99Å
960T95.9Very high97.1Very high34 Ų3445.9 Ų45.921%0.20923%0.229CC..THydrogen-bonded Turntrans-97.30.2178.444.80000113.5T927 L930 E932 N933 R949 N958 Y962T927-T960 HydrophobicContact CG2-CG2 4.41Å; L930-T960 HydrophobicContact CD1-CG2 3.76Å; E932-T960 WeakPolarHBondContact OE1-CG2 3.42Å; E932-T960 PolarHBondContact OE1-OG1 3.18Å; N933-T960 PolarHBondContact ND2-OG1 2.65Å; R949-T960 PolarHBondContact NH1-O 2.98Å; N958-T960 PolarHBondContact O-N 3.15Å; T960-Y962 PolarHBondContact O-N 3.02Å
961G97.6Very high96.9Very high2 Ų250.8 Ų50.82%0.02126%0.259CS..  trans59.130.6-178.900000112.8L952 N958L952-G961 WeakPolarHBondContact CB-O 3.36Å; L952-G961 PolarHBondContact N-O 2.81Å; L952-G961 WeakPolarHBondContact O-CA 3.29Å; N958-G961 PolarHBondContact O-N 3.43Å; N958-G961 VanDerWaalsContact O-N 3.16Å; N958-G961 PolarHBondContact OD1-N 3.03Å
962Y98.6Very high96.5Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-88129-169.1176.4-103.7000112.7T927 A928 N933 R936 S937 P944 N958 T960 N964T927-Y962 HydrophobicContact CG2-CD2 4.08Å; T927-Y962 HydrophobicContact CG2-CG 4.38Å; A928-Y962 HydrophobicContact CB-CD2 4.49Å; A928-Y962 HydrophobicContact CB-CE2 3.56Å; N933-Y962 HydrophobicContact CB-CD1 3.48Å; N933-Y962 VanDerWaalsContact CB-CD1 3.48Å; N933-Y962 HydrophobicContact CB-CE1 3.8Å; N933-Y962 HydrophobicContact CB-CG 3.99Å; N933-Y962 WeakPolarHBondContact ND2-CB 3.36Å; N933-Y962 WeakPolarHBondContact OD1-CB 3.47Å; N933-Y962 WeakPolarHBondContact OD1-CD1 3.3Å; R936-Y962 HydrophobicContact CB-CD1 3.84Å; R936-Y962 HydrophobicContact CB-CE1 3.85Å; R936-Y962 HydrophobicContact CG-CD1 4.49Å; S937-Y962 PolarHBondContact OG-OH 2.63Å; P944-Y962 HydrophobicContact CG-CE2 3.88Å; N958-Y962 PolarHBondContact ND2-N 2.96Å; N958-Y962 PolarHBondContact ND2-O 3.38Å; N958-Y962 PolarHBondContact OD1-N 3.35Å; T960-Y962 PolarHBondContact O-N 3.02Å; Y962-N964 HydrophobicContact CE1-CB 4.45Å; Y962-N964 PolarHBondContact OH-ND2 3.31Å
963I98.7Very high95.6Very high5 Ų548.2 Ų48.23%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-132.2145.9160.2-175.2163.7000108.9V950 L952 A965 D992 F993 M996V950-I963 HydrophobicContact CB-CG2 4.23Å; L952-I963 HydrophobicContact CD1-CB 4.04Å; L952-I963 HydrophobicContact CD1-CG2 4.01Å; L952-I963 HydrophobicContact CD2-CG2 4.02Å; L952-I963 HydrophobicContact CG-CB 4.46Å; L952-I963 HydrophobicContact CG-CG2 3.91Å; I963-A965 HydrophobicContact CG1-CB 4.48Å; I963-A965 HydrophobicContact CG2-CB 4.03Å; I963-A965 PolarHBondContact O-N 2.86Å; I963-D992 HydrophobicContact CD1-CB 4.04Å; I963-F993 HydrophobicContact CD1-CB 4.24Å; I963-M996 HydrophobicContact CD1-CB 4.19Å; I963-M996 HydrophobicContact CD1-SD 3.88Å; I963-M996 HydrophobicContact CG2-CG 4.3Å; I963-M996 HydrophobicContact CG2-SD 4.14Å
964N98.7Very high94.9Very high1 Ų145.9 Ų45.91%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-76.472.9177.6-167.8-40.1000111S937 V942 Y962 T982 Q983 R1160S937-N964 WeakPolarHBondContact CB-ND2 3.44Å; S937-N964 PolarHBondContact OG-ND2 2.86Å; V942-N964 PolarHBondContact O-ND2 3.16Å; V942-N964 PolarHBondContact O-OD1 3.06Å; Y962-N964 HydrophobicContact CE1-CB 4.45Å; Y962-N964 PolarHBondContact OH-ND2 3.31Å; N964-T982 PolarHBondContact O-OG1 3.06Å; N964-Q983 HydrophobicContact CB-CG 4.29Å; N964-Q983 PolarHBondContact O-N 3.07Å; N964-R1160 PolarHBondContact OD1-NH1 2.95Å; N964-R1160 PolarHBondContact OD1-NH2 3.42Å
965A98.8Very high94.4Very high0 Ų043.4 Ų43.40%025%0.253CS..EExtended strand (participates in β ladder)trans-143143.3-177.600000110.5P944 R949 V950 I963 I980 A981 T982 M996P944-A965 WeakPolarHBondContact CB-O 3.35Å; R949-A965 WeakPolarHBondContact CA-O 3.4Å; V950-A965 HydrophobicContact CB-CB 4.03Å; V950-A965 HydrophobicContact CG2-CB 3.64Å; V950-A965 PolarHBondContact N-O 2.71Å; I963-A965 HydrophobicContact CG1-CB 4.48Å; I963-A965 HydrophobicContact CG2-CB 4.03Å; I963-A965 PolarHBondContact O-N 2.86Å; A965-I980 HydrophobicContact CB-CG2 3.94Å; A965-A981 CarbonylContact C-O 3.41Å; A965-A981 WeakPolarHBondContact CA-O 3.43Å; A965-T982 WeakPolarHBondContact CB-OG1 3.4Å; A965-M996 HydrophobicContact CB-SD 3.68Å
966S98.9Very high94.2Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-119.8135.9177.3-54.10000110.6P944 N948 I968 I980 A981 R1160P944-S966 WeakPolarHBondContact CA-OG 3.46Å; P944-S966 WeakPolarHBondContact CB-OG 3.37Å; N948-S966 WeakPolarHBondContact O-CA 3.43Å; S966-I968 PolarHBondContact O-N 2.79Å; S966-I980 WeakPolarHBondContact O-CA 3.41Å; S966-A981 PolarHBondContact N-O 3.43Å; S966-A981 PolarHBondContact O-N 2.87Å; S966-R1160 WeakPolarHBondContact OG-CG 3.28Å; S966-R1160 PolarHBondContact OG-NH1 3.01Å
967H98.8Very high94.3Very high34 Ų3438 Ų3816%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-71.1120.2162.6-71-56.8000109.6N948 H978 Y979 Q1000N948-H967 PolarHBondContact ND2-O 3.37Å; N948-H967 PolarHBondContact O-N 3.44Å; H967-H978 AromaticContact CE1-NE2 3.96Å; H967-H978 AromaticContact CG-NE2 3.71Å; H967-H978 AromaticContact ND1-CE1 3.84Å; H967-H978 AromaticContact ND1-NE2 3.14Å; H967-H978 PolarHBondContact ND1-NE2 3.17Å; H967-H978 VanDerWaalsContact ND1-NE2 3.14Å; H967-Y979 WeakPolarHBondContact CA-O 3.45Å; H967-Q1000 PolarHBondContact CE1-OE1 2.94Å; H967-Q1000 VanDerWaalsContact CE1-OE1 3.25Å
968I98.4Very high94.6Very high0 Ų032.4 Ų32.40%020%0.201CC..EExtended strand (participates in β ladder)trans-104.7120.1171-46.3-58.5000107.3S966 V970 H978 Y979 A981 L1156 Q1159 R1160S966-I968 PolarHBondContact O-N 2.79Å; I968-V970 HydrophobicContact CG2-CG2 4.16Å; I968-H978 WeakPolarHBondContact O-CA 3.33Å; I968-Y979 HydrophobicContact CB-CD2 4.34Å; I968-Y979 HydrophobicContact CG2-CD2 4.47Å; I968-Y979 PolarHBondContact N-O 2.88Å; I968-Y979 PolarHBondContact O-N 3.04Å; I968-A981 HydrophobicContact CD1-CB 4.11Å; I968-A981 HydrophobicContact CG1-CB 3.69Å; I968-L1156 HydrophobicContact CG2-CD2 3.56Å; I968-Q1159 HydrophobicContact CD1-CB 3.86Å; I968-R1160 HydrophobicContact CD1-CB 3.78Å
969K97.1Very high94.7Very high83 Ų8332.3 Ų32.336%0.36120%0.201SC..EExtended strand (participates in β ladder)trans-122.3128.1175.6-67.9-169.3171.4-150.30110.2E976 W977 H978 Q1159K969-E976 IonicContact NZ-OE1 3.65Å; K969-E976 PolarHBondContact NZ-OE1 3.31Å; K969-W977 WeakPolarHBondContact CA-O 3.35Å; K969-H978 WeakPolarHBondContact CE-NE2 3.34Å; K969-H978 HydrophobicContact CG-CB 4.47Å; K969-Q1159 PolarHBondContact O-NE2 3.49Å; K969-Q1159 PolarHBondContact O-OE1 2.95Å
970V95.7Very high94.8Very high3 Ų327.4 Ų27.42%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-134.8137.3-179.9-167.40000108.3I968 V972 W977 L1136 M1152 L1155 L1156I968-V970 HydrophobicContact CG2-CG2 4.16Å; V970-V972 HydrophobicContact CG1-CG2 3.96Å; V970-W977 HydrophobicContact CB-CB 4.45Å; V970-W977 PolarHBondContact N-O 3.22Å; V970-W977 PolarHBondContact O-N 3.05Å; V970-L1136 HydrophobicContact CB-CD1 4.24Å; V970-L1136 HydrophobicContact CB-CD2 4.14Å; V970-L1136 HydrophobicContact CG1-CD1 4.32Å; V970-L1136 HydrophobicContact CG1-CD2 4.28Å; V970-L1136 HydrophobicContact CG2-CD1 3.78Å; V970-M1152 HydrophobicContact CG1-CE 4.14Å; V970-M1152 HydrophobicContact CG1-SD 3.85Å; V970-L1155 HydrophobicContact CB-CD2 4.33Å; V970-L1155 HydrophobicContact CG1-CD1 4.47Å; V970-L1155 HydrophobicContact CG1-CD2 3.91Å; V970-L1155 HydrophobicContact CG2-CD2 3.69Å; V970-L1156 HydrophobicContact CG2-CD2 4.2Å
971V92.8Very high94.9Very high103 Ų10325.8 Ų25.862%0.62416%0.164SC*.EExtended strand (participates in β ladder)trans-114.5126.8173-177.60000108.4A975V971-A975 WeakPolarHBondContact CA-O 3.27Å
972V89.8Confident95Very high11 Ų1125.7 Ų25.77%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-137.8128179.8-177.50000107.5V970 G974 A975 Y1139 E1145 M1152V970-V972 HydrophobicContact CG1-CG2 3.96Å; V972-G974 PolarHBondContact O-N 2.88Å; V972-A975 PolarHBondContact N-O 2.95Å; V972-A975 WeakPolarHBondContact O-CB 3.42Å; V972-A975 PolarHBondContact O-N 3.31Å; V972-Y1139 HydrophobicContact CB-CD1 4.02Å; V972-Y1139 HydrophobicContact CB-CE1 3.87Å; V972-Y1139 HydrophobicContact CG1-CD1 3.81Å; V972-Y1139 HydrophobicContact CG1-CE1 3.78Å; V972-E1145 HydrophobicContact CG1-CB 4.35Å; V972-E1145 HydrophobicContact CG1-CG 3.94Å; V972-M1152 HydrophobicContact CG2-CE 3.92Å
973G79.7Confident95Very high57 Ų5725.9 Ų25.959%0.58816%0.164SC*.THydrogen-bonded Turntrans58.48.2-179.300000116.6E1145G973-E1145 WeakPolarHBondContact CA-OE1 3.24Å; G973-E1145 PolarHBondContact N-OE1 2.79Å
974G83.3Confident95Very high66 Ų6625.6 Ų25.668%0.6816%0.163SC*.THydrogen-bonded Turntrans99-10.1-170.400000115.1V972V972-G974 PolarHBondContact O-N 2.88Å
975A87.4Confident95Very high31 Ų3125.7 Ų25.726%0.25616%0.163SC..EExtended strand (participates in β ladder)trans-78.2125.417300000111.6V971 V972 Y1139V971-A975 WeakPolarHBondContact CA-O 3.27Å; V972-A975 PolarHBondContact N-O 2.95Å; V972-A975 WeakPolarHBondContact O-CB 3.42Å; V972-A975 PolarHBondContact O-N 3.31Å; A975-Y1139 HydrophobicContact CB-CE1 4.2Å; A975-Y1139 WeakPolarHBondContact CB-OH 3.35Å
976E91.8Very high94.9Very high79 Ų7926.7 Ų26.737%0.36917%0.169SC..EExtended strand (participates in β ladder)trans-85.9111.5171.4-174.5-178.4-175.300110.2K969 R1113K969-E976 IonicContact NZ-OE1 3.65Å; K969-E976 PolarHBondContact NZ-OE1 3.31Å; E976-R1113 VanDerWaalsContact CD-NH1 3.3Å; E976-R1113 IonicContact OE1-NH1 3.31Å; E976-R1113 PolarHBondContact OE1-NH1 3.19Å; E976-R1113 VanDerWaalsContact OE1-NH1 3.09Å; E976-R1113 IonicContact OE2-CZ 2.71Å; E976-R1113 IonicContact OE2-NH1 3.83Å; E976-R1113 PolarHBondContact OE2-NH1 2.89Å
977W94.5Very high94.8Very high32 Ų3230.7 Ų30.712%0.12120%0.195CC..EExtended strand (participates in β ladder)trans-95.4119.7172.7-66.979.2000109.8K969 V970 Y979 R1100 E1135 L1136 Y1139K969-W977 WeakPolarHBondContact CA-O 3.35Å; V970-W977 HydrophobicContact CB-CB 4.45Å; V970-W977 PolarHBondContact N-O 3.22Å; V970-W977 PolarHBondContact O-N 3.05Å; W977-Y979 HydrophobicContact CB-CE2 3.93Å; W977-Y979 HydrophobicContact CE3-CE2 4.48Å; W977-Y979 AromaticContact CE3-CZ 3.95Å; W977-Y979 VanDerWaalsContact CE3-OH 3.23Å; W977-R1100 VanDerWaalsContact CE3-NH1 3.28Å; W977-E1135 HydrophobicContact CH2-CG 4.22Å; W977-E1135 HydrophobicContact CZ3-CG 3.78Å; W977-L1136 HydrophobicContact CB-CD2 3.89Å; W977-L1136 HydrophobicContact CD2-CD2 3.87Å; W977-L1136 HydrophobicContact CE3-CD2 4.35Å; W977-L1136 HydrophobicContact CG-CD2 3.63Å; W977-Y1139 HydrophobicContact CH2-CD2 4.42Å; W977-Y1139 HydrophobicContact CH2-CG 4.44Å; W977-Y1139 HydrophobicContact CZ2-CD1 4.02Å; W977-Y1139 AromaticContact CZ2-CD2 3.54Å; W977-Y1139 HydrophobicContact CZ2-CD2 3.54Å; W977-Y1139 HydrophobicContact CZ2-CE2 4.08Å; W977-Y1139 AromaticContact CZ2-CG 3.49Å; W977-Y1139 HydrophobicContact CZ2-CG 3.49Å; W977-Y1139 VanDerWaalsContact CZ2-CG 3.49Å; W977-Y1139 AromaticContact NE1-CD1 3.67Å; W977-Y1139 AromaticContact NE1-CE1 3.77Å
978H97.3Very high94.8Very high34 Ų3433.6 Ų33.616%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-120.6124.1178.5-170.7-165.3000110.9H967 I968 K969 P1116 I1117H967-H978 AromaticContact CE1-NE2 3.96Å; H967-H978 AromaticContact CG-NE2 3.71Å; H967-H978 AromaticContact ND1-CE1 3.84Å; H967-H978 AromaticContact ND1-NE2 3.14Å; H967-H978 PolarHBondContact ND1-NE2 3.17Å; H967-H978 VanDerWaalsContact ND1-NE2 3.14Å; I968-H978 WeakPolarHBondContact O-CA 3.33Å; K969-H978 WeakPolarHBondContact CE-NE2 3.34Å; K969-H978 HydrophobicContact CG-CB 4.47Å; H978-P1116 HydrophobicContact CB-CB 4.4Å; H978-P1116 WeakPolarHBondContact O-CA 3.26Å; H978-I1117 PolarHBondContact O-N 3.04Å
979Y98.6Very high94.8Very high0 Ų033.8 Ų33.80%021%0.209CC..EExtended strand (participates in β ladder)trans-124.9160.5174.7-48-101.8000110.9H967 I968 W977 I1117 V1119 I1132 E1135 L1136H967-Y979 WeakPolarHBondContact CA-O 3.45Å; I968-Y979 HydrophobicContact CB-CD2 4.34Å; I968-Y979 HydrophobicContact CG2-CD2 4.47Å; I968-Y979 PolarHBondContact N-O 2.88Å; I968-Y979 PolarHBondContact O-N 3.04Å; W977-Y979 HydrophobicContact CB-CE2 3.93Å; W977-Y979 HydrophobicContact CE3-CE2 4.48Å; W977-Y979 AromaticContact CE3-CZ 3.95Å; W977-Y979 VanDerWaalsContact CE3-OH 3.23Å; Y979-I1117 CarbonylContact C-O 3.55Å; Y979-I1117 WeakPolarHBondContact CA-O 3.42Å; Y979-I1117 HydrophobicContact CD1-CD1 4.05Å; Y979-I1117 HydrophobicContact CD1-CG1 3.63Å; Y979-I1117 HydrophobicContact CE1-CD1 4.27Å; Y979-I1117 HydrophobicContact CE1-CG1 4.19Å; Y979-V1119 HydrophobicContact CD1-CG2 3.86Å; Y979-I1132 HydrophobicContact CD1-CD1 4.04Å; Y979-I1132 HydrophobicContact CD1-CG1 3.84Å; Y979-I1132 HydrophobicContact CD2-CD1 4.48Å; Y979-I1132 HydrophobicContact CD2-CG2 4.11Å; Y979-I1132 HydrophobicContact CE1-CG1 3.95Å; Y979-I1132 HydrophobicContact CE1-CG2 4.43Å; Y979-I1132 HydrophobicContact CE2-CG2 3.84Å; Y979-I1132 HydrophobicContact CG-CD1 3.95Å; Y979-I1132 HydrophobicContact CG-CG1 4.17Å; Y979-E1135 VanDerWaalsContact CE1-OE2 3.25Å; Y979-E1135 WeakPolarHBondContact CE1-OE2 3.41Å; Y979-E1135 PolarHBondContact OH-OE2 2.66Å; Y979-L1136 HydrophobicContact CE2-CD1 4.43Å; Y979-L1136 HydrophobicContact CE2-CD2 4.36Å; Y979-L1136 HydrophobicContact CE2-CG 4.43Å
980I98.9Very high94.8Very high0 Ų030 Ų300%019%0.193CC..EExtended strand (participates in β ladder)trans-113.6106.5160.4-71.2167000108V950 A965 S966 M996 Q1000 V1002 P1116 I1117 V1118 V1119V950-I980 HydrophobicContact CG2-CD1 4.32Å; V950-I980 HydrophobicContact CG2-CG1 4.02Å; V950-I980 HydrophobicContact CG2-CG2 3.81Å; A965-I980 HydrophobicContact CB-CG2 3.94Å; S966-I980 WeakPolarHBondContact O-CA 3.41Å; I980-M996 HydrophobicContact CG2-CE 3.88Å; I980-M996 HydrophobicContact CG2-SD 3.67Å; I980-Q1000 HydrophobicContact CD1-CB 3.68Å; I980-Q1000 HydrophobicContact CD1-CG 3.79Å; I980-V1002 HydrophobicContact CD1-CG2 4.2Å; I980-P1116 HydrophobicContact CD1-CB 4.07Å; I980-P1116 HydrophobicContact CD1-CG 3.66Å; I980-P1116 HydrophobicContact CG1-CB 3.98Å; I980-P1116 HydrophobicContact CG1-CG 4.1Å; I980-I1117 PolarHBondContact N-O 3.14Å; I980-V1118 HydrophobicContact CB-CG2 4.01Å; I980-V1118 HydrophobicContact CD1-CG2 4.38Å; I980-V1118 HydrophobicContact CG2-CG2 4.19Å; I980-V1118 WeakPolarHBondContact O-CA 3.15Å; I980-V1119 PolarHBondContact O-N 3.05Å
981A98.8Very high94.9Very high0 Ų032.2 Ų32.20%020%0.203CC..EExtended strand (participates in β ladder)trans-87.9112.9175.400000109.4A965 S966 I968 V1119 T1128 I1132A965-A981 CarbonylContact C-O 3.41Å; A965-A981 WeakPolarHBondContact CA-O 3.43Å; S966-A981 PolarHBondContact N-O 3.43Å; S966-A981 PolarHBondContact O-N 2.87Å; I968-A981 HydrophobicContact CD1-CB 4.11Å; I968-A981 HydrophobicContact CG1-CB 3.69Å; A981-V1119 WeakPolarHBondContact CA-O 3.44Å; A981-T1128 HydrophobicContact CB-CG2 3.85Å; A981-I1132 HydrophobicContact CB-CD1 4.27Å
982T98.9Very high95.2Very high1 Ų127.4 Ų27.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-136.4161.4-170.4-1700000112.8N964 A965 F993 M996 V1118 V1119 H1120 G1124N964-T982 PolarHBondContact O-OG1 3.06Å; A965-T982 WeakPolarHBondContact CB-OG1 3.4Å; T982-F993 HydrophobicContact CG2-CD2 4.46Å; T982-F993 HydrophobicContact CG2-CE2 3.96Å; T982-M996 HydrophobicContact CG2-CE 4.28Å; T982-V1118 HydrophobicContact CG2-CG1 3.59Å; T982-V1119 PolarHBondContact N-O 2.94Å; T982-V1119 VanDerWaalsContact N-O 3.09Å; T982-H1120 HydrophobicContact CG2-CB 3.73Å; T982-H1120 VanDerWaalsContact O-CA 3.31Å; T982-H1120 WeakPolarHBondContact O-CA 3.27Å; T982-H1120 WeakPolarHBondContact O-CB 3.46Å; T982-G1124 WeakPolarHBondContact O-CA 3.2Å
983Q98.3Very high95.6Very high3 Ų327 Ų271%0.01417%0.171CC..PPolyproline II helixtrans-71.2159.317471.4-178.713.900112.7R936 N964 P985 S1122R936-Q983 PolarHBondContact O-NE2 3.47Å; N964-Q983 HydrophobicContact CB-CG 4.29Å; N964-Q983 PolarHBondContact O-N 3.07Å; Q983-P985 WeakPolarHBondContact O-CD 3.36Å; Q983-S1122 CarbonylContact C-O 3.59Å; Q983-S1122 WeakPolarHBondContact CA-O 3.26Å; Q983-S1122 WeakPolarHBondContact CB-O 3.37Å
984G98.3Very high96.5Very high0 Ų024.2 Ų24.20%014%0.143CC..PPolyproline II helixtrans-66.4117.7165.800000110R938 H1120 C1121 S1122R938-G984 PolarHBondContact NE-O 2.97Å; R938-G984 PolarHBondContact NH2-O 3.18Å; R938-G984 VanDerWaalsContact NH2-O 3.11Å; G984-H1120 WeakPolarHBondContact CA-ND1 3.4Å; G984-C1121 WeakPolarHBondContact CA-O 3.34Å; G984-C1121 PolarHBondContact N-O 2.91Å; G984-S1122 PolarHBondContact N-O 2.88Å
985P98.4Very high97.2Very high2 Ų221.5 Ų21.51%0.01311%0.113CC..PPolyproline II helixtrans-49.7144.3-168.9-34.238.9000114.6R938 Q983 F993 H1020 Y1022R938-P985 PolarHBondContact NH2-O 2.9Å; Q983-P985 WeakPolarHBondContact O-CD 3.36Å; P985-F993 HydrophobicContact CB-CB 4.43Å; P985-F993 HydrophobicContact CG-CB 3.94Å; P985-F993 HydrophobicContact CG-CD1 4.21Å; P985-F993 HydrophobicContact CG-CD2 3.46Å; P985-F993 VanDerWaalsContact CG-CD2 3.46Å; P985-F993 HydrophobicContact CG-CE2 3.95Å; P985-F993 HydrophobicContact CG-CG 3.6Å; P985-H1020 WeakPolarHBondContact O-CB 3.49Å; P985-H1020 PolarHBondContact O-N 3.15Å; P985-Y1022 HydrophobicContact CB-CD1 4.12Å; P985-Y1022 HydrophobicContact CB-CG 4.44Å; P985-Y1022 HydrophobicContact CG-CD1 3.59Å; P985-Y1022 HydrophobicContact CG-CE1 4.01Å; P985-Y1022 HydrophobicContact CG-CG 4.01Å
986L97.9Very high97.8Very high22 Ų2220 Ų2012%0.11510%0.101CC..PPolyproline II helixtrans-86.2158.4169.7-64.1164.7000108.9E935 R938 H988 T989 C990E935-L986 WeakPolarHBondContact O-CD1 3.36Å; R938-L986 HydrophobicContact CB-CD1 4.44Å; R938-L986 HydrophobicContact CB-CD2 4.01Å; R938-L986 HydrophobicContact CB-CG 4.33Å; R938-L986 HydrophobicContact CG-CD2 4.18Å; L986-H988 PolarHBondContact O-N 3.02Å; L986-T989 HydrophobicContact CB-CG2 4.05Å; L986-T989 HydrophobicContact CD1-CG2 4.2Å; L986-T989 PolarHBondContact N-OG1 2.98Å; L986-T989 PolarHBondContact O-N 3.22Å; L986-C990 PolarHBondContact O-N 2.99Å; L986-C990 PolarHBondContact O-SG 2.86Å
987P97.1Very high98.1Very high84 Ų8416.3 Ų16.355%0.5458%0.083SC..G310 helixtrans-53.9-41.4-178.6-23.432.2000112.7H1020P987-H1020 HydrophobicContact CG-CB 4.46Å
988H97Very high98.3Very high94 Ų9416.6 Ų16.644%0.4358%0.084SC..G310 helixtrans-79.1-20.2177.854.6-67.7000114.2E935 L986 H991E935-H988 PolarHBondContact O-NE2 2.98Å; L986-H988 PolarHBondContact O-N 3.02Å; H988-H991 PolarHBondContact O-CE1 2.73Å; H988-H991 PolarHBondContact O-ND1 3.35Å
989T98.2Very high98.3Very high4 Ų418 Ų183%0.0259%0.091CC..G310 helixtrans-100.510.9-18078.30000114.1R936 L986 H991 D992 F993R936-T989 HydrophobicContact CB-CG2 4.22Å; R936-T989 HydrophobicContact CG-CG2 4.23Å; L986-T989 HydrophobicContact CB-CG2 4.05Å; L986-T989 HydrophobicContact CD1-CG2 4.2Å; L986-T989 PolarHBondContact N-OG1 2.98Å; L986-T989 PolarHBondContact O-N 3.22Å; T989-H991 VanDerWaalsContact C-N 3.25Å; T989-H991 PolarHBondContact O-N 3.25Å; T989-D992 VanDerWaalsContact CA-OD2 3.32Å; T989-D992 WeakPolarHBondContact CA-OD2 3.41Å; T989-D992 WeakPolarHBondContact CB-OD2 3.28Å; T989-D992 PolarHBondContact O-N 2.86Å; T989-F993 PolarHBondContact O-N 3.36Å
990C98.4Very high98.2Very high4 Ų420.4 Ų20.43%0.02710%0.102CC..Hα-helixtrans-68.1-26.8177.2-71.50000112.4L986 W994 Y1022 Y1035L986-C990 PolarHBondContact O-N 2.99Å; L986-C990 PolarHBondContact O-SG 2.86Å; C990-W994 PolarHBondContact O-N 2.85Å; C990-Y1022 VanDerWaalsContact SG-CB 3.56Å; C990-Y1035 HydrophobicContact CB-CD1 3.72Å; C990-Y1035 HydrophobicContact CB-CE1 4.25Å; C990-Y1035 HydrophobicContact CB-CG 4.5Å
991H97.8Very high98Very high49 Ų4921.7 Ų21.723%0.22712%0.115CC..Hα-helixtrans-75-42.8174.771.2-88.4000111.7H988 T989 F993 W994 Q995H988-H991 PolarHBondContact O-CE1 2.73Å; H988-H991 PolarHBondContact O-ND1 3.35Å; T989-H991 VanDerWaalsContact C-N 3.25Å; T989-H991 PolarHBondContact O-N 3.25Å; H991-F993 VanDerWaalsContact C-N 3.27Å; H991-F993 PolarHBondContact O-N 2.89Å; H991-W994 PolarHBondContact O-N 3.37Å; H991-Q995 WeakPolarHBondContact O-CB 3.39Å; H991-Q995 PolarHBondContact O-N 3.18Å
992D98.5Very high97.9Very high2 Ų221.7 Ų21.71%0.01112%0.115CC..Hα-helixtrans-55.5-43.1171.1-57.2-65.7000111L952 N958 I963 T989 Q995 M996L952-D992 HydrophobicContact CD1-CB 3.9Å; N958-D992 PolarHBondContact ND2-OD1 2.86Å; I963-D992 HydrophobicContact CD1-CB 4.04Å; T989-D992 VanDerWaalsContact CA-OD2 3.32Å; T989-D992 WeakPolarHBondContact CA-OD2 3.41Å; T989-D992 WeakPolarHBondContact CB-OD2 3.28Å; T989-D992 PolarHBondContact O-N 2.86Å; D992-Q995 WeakPolarHBondContact O-CB 3.42Å; D992-Q995 PolarHBondContact O-N 2.95Å; D992-M996 WeakPolarHBondContact O-CB 3.16Å; D992-M996 PolarHBondContact O-N 2.92Å
993F98.8Very high97.8Very high2 Ų222.8 Ų22.81%0.00912%0.121CC..Hα-helixtrans-64.1-42.8179.4-179.8-87000112.9I963 T982 P985 T989 H991 M996 V997 I1005 Y1022 V1118I963-F993 HydrophobicContact CD1-CB 4.24Å; T982-F993 HydrophobicContact CG2-CD2 4.46Å; T982-F993 HydrophobicContact CG2-CE2 3.96Å; P985-F993 HydrophobicContact CB-CB 4.43Å; P985-F993 HydrophobicContact CG-CB 3.94Å; P985-F993 HydrophobicContact CG-CD1 4.21Å; P985-F993 HydrophobicContact CG-CD2 3.46Å; P985-F993 VanDerWaalsContact CG-CD2 3.46Å; P985-F993 HydrophobicContact CG-CE2 3.95Å; P985-F993 HydrophobicContact CG-CG 3.6Å; T989-F993 PolarHBondContact O-N 3.36Å; H991-F993 VanDerWaalsContact C-N 3.27Å; H991-F993 PolarHBondContact O-N 2.89Å; F993-M996 HydrophobicContact CD2-CE 3.99Å; F993-M996 HydrophobicContact CE2-CE 4.02Å; F993-M996 WeakPolarHBondContact O-CB 3.5Å; F993-M996 PolarHBondContact O-N 2.97Å; F993-V997 HydrophobicContact CD1-CG2 4.2Å; F993-V997 HydrophobicContact CE1-CG2 3.78Å; F993-V997 HydrophobicContact CZ-CG2 4.12Å; F993-V997 WeakPolarHBondContact O-CG2 3.25Å; F993-V997 PolarHBondContact O-N 3.12Å; F993-I1005 HydrophobicContact CE1-CD1 3.98Å; F993-I1005 HydrophobicContact CZ-CD1 4.11Å; F993-I1005 HydrophobicContact CZ-CG2 4.19Å; F993-Y1022 AromaticContact CD1-CD2 3.84Å; F993-Y1022 HydrophobicContact CD1-CD2 3.84Å; F993-Y1022 HydrophobicContact CD1-CE2 4.01Å; F993-Y1022 HydrophobicContact CD1-CG 4.39Å; F993-Y1022 AromaticContact CE1-CD2 3.57Å; F993-Y1022 HydrophobicContact CE1-CD2 3.57Å; F993-Y1022 AromaticContact CE1-CE2 3.26Å; F993-Y1022 HydrophobicContact CE1-CE2 3.26Å; F993-Y1022 HydrophobicContact CE1-CG 4.39Å; F993-Y1022 AromaticContact CE1-CZ 3.84Å; F993-Y1022 HydrophobicContact CZ-CD2 4.36Å; F993-Y1022 AromaticContact CZ-CE2 3.73Å; F993-Y1022 HydrophobicContact CZ-CE2 3.73Å; F993-Y1022 AromaticContact CZ-CZ 3.82Å; F993-V1118 HydrophobicContact CE2-CG1 3.95Å; F993-V1118 HydrophobicContact CZ-CG1 4.08Å
994W98.6Very high97.8Very high0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-73.3-28.2175.9-74.9113.8000113.1C990 H991 V997 W998 I1005 Y1022 W1023 Y1035 F1038 V1040 L1056 V1058 V1069C990-W994 PolarHBondContact O-N 2.85Å; H991-W994 PolarHBondContact O-N 3.37Å; W994-V997 HydrophobicContact CE3-CB 4.04Å; W994-V997 HydrophobicContact CE3-CG1 3.87Å; W994-V997 HydrophobicContact CE3-CG2 4.4Å; W994-V997 HydrophobicContact CZ3-CB 4.39Å; W994-V997 HydrophobicContact CZ3-CG1 3.82Å; W994-W998 WeakPolarHBondContact O-CB 3.39Å; W994-W998 PolarHBondContact O-N 2.86Å; W994-I1005 HydrophobicContact CH2-CD1 3.98Å; W994-I1005 HydrophobicContact CZ3-CD1 4.13Å; W994-Y1022 AromaticContact CE2-CD2 3.87Å; W994-Y1022 HydrophobicContact CH2-CE2 4.49Å; W994-Y1022 AromaticContact CZ2-CD2 3.61Å; W994-Y1022 HydrophobicContact CZ2-CD2 3.61Å; W994-Y1022 AromaticContact CZ2-CE2 3.95Å; W994-Y1022 HydrophobicContact CZ2-CE2 3.95Å; W994-Y1022 AromaticContact NE1-CD2 3.86Å; W994-Y1022 PolarHBondContact NE1-O 3.25Å; W994-W1023 HydrophobicContact CZ2-CB 4.35Å; W994-Y1035 AromaticContact CD1-CD2 3.62Å; W994-Y1035 AromaticContact CD1-CG 3.68Å; W994-Y1035 AromaticContact NE1-CD2 3.59Å; W994-Y1035 AromaticContact NE1-CE2 3.95Å; W994-Y1035 AromaticContact NE1-CG 4Å; W994-F1038 HydrophobicContact CB-CB 3.93Å; W994-F1038 HydrophobicContact CB-CD2 3.81Å; W994-F1038 HydrophobicContact CB-CG 3.98Å; W994-V1040 HydrophobicContact CD2-CG2 3.7Å; W994-V1040 VanDerWaalsContact CE2-CG2 3.49Å; W994-V1040 HydrophobicContact CE3-CG2 4.17Å; W994-V1040 HydrophobicContact CG-CG2 4.11Å; W994-V1040 HydrophobicContact CH2-CG1 4.14Å; W994-V1040 HydrophobicContact CH2-CG2 4.29Å; W994-V1040 HydrophobicContact CZ2-CB 4.47Å; W994-V1040 HydrophobicContact CZ2-CG1 3.89Å; W994-V1040 HydrophobicContact CZ2-CG2 3.81Å; W994-V1040 HydrophobicContact CZ3-CG2 4.44Å; W994-L1056 HydrophobicContact CH2-CD1 3.72Å; W994-L1056 HydrophobicContact CZ2-CD1 4.22Å; W994-V1058 HydrophobicContact CE3-CG1 4.29Å; W994-V1058 HydrophobicContact CE3-CG2 4.01Å; W994-V1058 HydrophobicContact CH2-CG2 4.2Å; W994-V1058 HydrophobicContact CZ3-CG2 3.55Å; W994-V1069 HydrophobicContact CZ3-CG1 4.47Å
995Q98.5Very high97.8Very high9 Ų922.7 Ų22.74%0.04212%0.121CC..Hα-helixtrans-62.6-48.8168-173.1171.2-17.500110.8I953 H991 D992 V997 W998 E999 F1038I953-Q995 PolarHBondContact O-NE2 3.34Å; H991-Q995 WeakPolarHBondContact O-CB 3.39Å; H991-Q995 PolarHBondContact O-N 3.18Å; D992-Q995 WeakPolarHBondContact O-CB 3.42Å; D992-Q995 PolarHBondContact O-N 2.95Å; Q995-V997 PolarHBondContact O-N 2.95Å; Q995-W998 PolarHBondContact O-N 3.25Å; Q995-W998 VanDerWaalsContact O-N 3.16Å; Q995-E999 VanDerWaalsContact CG-CD 3.47Å; Q995-E999 HydrophobicContact CG-CG 4.25Å; Q995-E999 WeakPolarHBondContact CG-OE1 3.32Å; Q995-E999 PolarHBondContact NE2-OE1 2.85Å; Q995-E999 WeakPolarHBondContact O-CB 3.42Å; Q995-E999 WeakPolarHBondContact O-CG 3.31Å; Q995-E999 PolarHBondContact O-N 3.31Å; Q995-F1038 VanDerWaalsContact CA-CE2 3.44Å; Q995-F1038 HydrophobicContact CB-CE2 3.77Å; Q995-F1038 HydrophobicContact CB-CZ 4.31Å; Q995-F1038 HydrophobicContact CG-CE2 4.34Å
996M98.7Very high97.9Very high0 Ų022.6 Ų22.60%012%0.12CC..Hα-helixtrans-54.4-51.3174.8-168.1-163.867.700112.2V950 L952 I963 A965 I980 T982 D992 F993 W998 Q1000 V1118V950-M996 HydrophobicContact CB-CG 4.41Å; V950-M996 HydrophobicContact CG1-CG 3.74Å; V950-M996 HydrophobicContact CG1-SD 4.46Å; L952-M996 HydrophobicContact CD2-CB 3.65Å; L952-M996 HydrophobicContact CD2-CG 4.01Å; I963-M996 HydrophobicContact CD1-CB 4.19Å; I963-M996 HydrophobicContact CD1-SD 3.88Å; I963-M996 HydrophobicContact CG2-CG 4.3Å; I963-M996 HydrophobicContact CG2-SD 4.14Å; A965-M996 HydrophobicContact CB-SD 3.68Å; I980-M996 HydrophobicContact CG2-CE 3.88Å; I980-M996 HydrophobicContact CG2-SD 3.67Å; T982-M996 HydrophobicContact CG2-CE 4.28Å; D992-M996 WeakPolarHBondContact O-CB 3.16Å; D992-M996 PolarHBondContact O-N 2.92Å; F993-M996 HydrophobicContact CD2-CE 3.99Å; F993-M996 HydrophobicContact CE2-CE 4.02Å; F993-M996 WeakPolarHBondContact O-CB 3.5Å; F993-M996 PolarHBondContact O-N 2.97Å; M996-W998 VanDerWaalsContact C-N 3.3Å; M996-W998 PolarHBondContact O-N 3.32Å; M996-Q1000 HydrophobicContact CG-CG 4.49Å; M996-Q1000 VanDerWaalsContact O-CB 3.23Å; M996-Q1000 WeakPolarHBondContact O-CB 3.34Å; M996-Q1000 VanDerWaalsContact O-CG 3.3Å; M996-Q1000 WeakPolarHBondContact O-CG 3.35Å; M996-Q1000 PolarHBondContact O-N 3.05Å; M996-V1118 HydrophobicContact CE-CG1 4.04Å; M996-V1118 HydrophobicContact CE-CG2 3.65Å
997V98.6Very high97.9Very high0 Ų021.5 Ų21.50%011%0.114CC..Hα-helixtrans-60.3-40177.7166.30000111.5F993 W994 Q995 V1002 I1005 R1067 V1069 V1118F993-V997 HydrophobicContact CD1-CG2 4.2Å; F993-V997 HydrophobicContact CE1-CG2 3.78Å; F993-V997 HydrophobicContact CZ-CG2 4.12Å; F993-V997 WeakPolarHBondContact O-CG2 3.25Å; F993-V997 PolarHBondContact O-N 3.12Å; W994-V997 HydrophobicContact CE3-CB 4.04Å; W994-V997 HydrophobicContact CE3-CG1 3.87Å; W994-V997 HydrophobicContact CE3-CG2 4.4Å; W994-V997 HydrophobicContact CZ3-CB 4.39Å; W994-V997 HydrophobicContact CZ3-CG1 3.82Å; Q995-V997 PolarHBondContact O-N 2.95Å; V997-V1002 HydrophobicContact CB-CB 4.42Å; V997-V1002 HydrophobicContact CG1-CB 4.06Å; V997-V1002 HydrophobicContact CG1-CG1 4.31Å; V997-V1002 PolarHBondContact O-N 3.41Å; V997-I1005 HydrophobicContact CG2-CD1 4.04Å; V997-I1005 HydrophobicContact CG2-CG1 4.49Å; V997-R1067 PolarHBondContact O-NH1 3.23Å; V997-V1069 HydrophobicContact CG1-CG1 4.36Å; V997-V1069 HydrophobicContact CG1-CG2 4.14Å; V997-V1118 HydrophobicContact CG2-CG2 4.3Å
998W97.9Very high97.9Very high38 Ų3817.5 Ų17.514%0.1449%0.089CC..Hα-helixtrans-69.5-54.4179.2-170.9-93.1000112.4W994 Q995 M996 Q1000 G1001 F1038 V1058 H1060 Q1065 R1067W994-W998 WeakPolarHBondContact O-CB 3.39Å; W994-W998 PolarHBondContact O-N 2.86Å; Q995-W998 PolarHBondContact O-N 3.25Å; Q995-W998 VanDerWaalsContact O-N 3.16Å; M996-W998 VanDerWaalsContact C-N 3.3Å; M996-W998 PolarHBondContact O-N 3.32Å; W998-Q1000 PolarHBondContact O-N 2.98Å; W998-G1001 PolarHBondContact O-N 3.03Å; W998-F1038 HydrophobicContact CB-CD1 4.16Å; W998-F1038 HydrophobicContact CB-CE1 3.45Å; W998-F1038 VanDerWaalsContact CB-CE1 3.45Å; W998-F1038 HydrophobicContact CB-CZ 3.84Å; W998-F1038 AromaticContact CD1-CE1 3.89Å; W998-F1038 HydrophobicContact CD2-CD1 4.31Å; W998-F1038 AromaticContact CD2-CE1 3.83Å; W998-F1038 HydrophobicContact CD2-CE1 3.83Å; W998-F1038 HydrophobicContact CE3-CD1 4.34Å; W998-F1038 HydrophobicContact CE3-CE1 4.32Å; W998-F1038 HydrophobicContact CG-CD1 4.23Å; W998-F1038 AromaticContact CG-CE1 3.4Å; W998-F1038 HydrophobicContact CG-CE1 3.4Å; W998-F1038 VanDerWaalsContact CG-CE1 3.4Å; W998-F1038 HydrophobicContact CG-CZ 4.09Å; W998-V1058 HydrophobicContact CE3-CG1 4.07Å; W998-V1058 HydrophobicContact CZ3-CG1 4.31Å; W998-H1060 HydrophobicContact CD2-CB 3.99Å; W998-H1060 HydrophobicContact CE3-CB 4.24Å; W998-H1060 HydrophobicContact CH2-CB 3.81Å; W998-H1060 HydrophobicContact CZ2-CB 3.51Å; W998-H1060 HydrophobicContact CZ3-CB 4.15Å; W998-Q1065 HydrophobicContact CH2-CB 3.87Å; W998-Q1065 HydrophobicContact CZ2-CB 3.85Å; W998-R1067 HydrophobicContact CH2-CB 4.44Å; W998-R1067 HydrophobicContact CZ3-CB 3.9Å; W998-R1067 PolarHBondContact O-NH1 3.09Å; W998-R1067 PolarHBondContact O-NH2 3.04Å
999E97.2Very high97.7Very high64 Ų6413.1 Ų13.130%0.2997%0.068SC..Hα-helixtrans-64-40.6-175.4-71.1173.8-178.200112.1L952 I953 Q995 G1001L952-E999 WeakPolarHBondContact CA-OE2 3.34Å; I953-E999 WeakPolarHBondContact CB-OE1 3.47Å; I953-E999 HydrophobicContact CD1-CG 4.37Å; I953-E999 WeakPolarHBondContact CD1-OE1 3.41Å; I953-E999 WeakPolarHBondContact CG1-OE1 3.28Å; I953-E999 PolarHBondContact N-OE2 2.95Å; Q995-E999 VanDerWaalsContact CG-CD 3.47Å; Q995-E999 HydrophobicContact CG-CG 4.25Å; Q995-E999 WeakPolarHBondContact CG-OE1 3.32Å; Q995-E999 PolarHBondContact NE2-OE1 2.85Å; Q995-E999 WeakPolarHBondContact O-CB 3.42Å; Q995-E999 WeakPolarHBondContact O-CG 3.31Å; Q995-E999 PolarHBondContact O-N 3.31Å; E999-G1001 PolarHBondContact O-N 2.67Å
1000Q97.2Very high97.4Very high51 Ų5114.4 Ų14.424%0.2388%0.079CC..THydrogen-bonded Turntrans-82.914.3-177.8-60-67-28.800113.9V950 H967 I980 M996 W998 V1002 P1116V950-Q1000 HydrophobicContact CG1-CG 3.76Å; H967-Q1000 PolarHBondContact CE1-OE1 2.94Å; H967-Q1000 VanDerWaalsContact CE1-OE1 3.25Å; I980-Q1000 HydrophobicContact CD1-CB 3.68Å; I980-Q1000 HydrophobicContact CD1-CG 3.79Å; M996-Q1000 HydrophobicContact CG-CG 4.49Å; M996-Q1000 VanDerWaalsContact O-CB 3.23Å; M996-Q1000 WeakPolarHBondContact O-CB 3.34Å; M996-Q1000 VanDerWaalsContact O-CG 3.3Å; M996-Q1000 WeakPolarHBondContact O-CG 3.35Å; M996-Q1000 PolarHBondContact O-N 3.05Å; W998-Q1000 PolarHBondContact O-N 2.98Å; Q1000-V1002 HydrophobicContact CB-CG2 3.97Å; Q1000-V1002 PolarHBondContact O-N 3.45Å; Q1000-P1116 HydrophobicContact CB-CG 4.32Å; Q1000-P1116 WeakPolarHBondContact O-CD 3.49Å
1001G95.3Very high97.1Very high26 Ų2616.3 Ų16.327%0.2689%0.088SC..THydrogen-bonded Turntrans66.29.9175.400000115.7W998 E999 N1003 P1115W998-G1001 PolarHBondContact O-N 3.03Å; E999-G1001 PolarHBondContact O-N 2.67Å; G1001-N1003 PolarHBondContact O-N 3.38Å; G1001-P1115 VanDerWaalsContact O-CB 3.26Å; G1001-P1115 WeakPolarHBondContact O-CB 3.39Å
1002V97.1Very high96.8Very high0 Ų019.5 Ų19.50%010%0.103CC..  trans-60.3131.6-170177.60000111.8I980 V997 Q1000 V1004 I1005 R1067 P1116 V1118I980-V1002 HydrophobicContact CD1-CG2 4.2Å; V997-V1002 HydrophobicContact CB-CB 4.42Å; V997-V1002 HydrophobicContact CG1-CB 4.06Å; V997-V1002 HydrophobicContact CG1-CG1 4.31Å; V997-V1002 PolarHBondContact O-N 3.41Å; Q1000-V1002 HydrophobicContact CB-CG2 3.97Å; Q1000-V1002 PolarHBondContact O-N 3.45Å; V1002-V1004 VanDerWaalsContact CG1-O 3.27Å; V1002-V1004 WeakPolarHBondContact CG1-O 3.37Å; V1002-I1005 HydrophobicContact CG1-CG1 4.35Å; V1002-R1067 WeakPolarHBondContact O-CD 3.47Å; V1002-R1067 PolarHBondContact O-NH1 3.27Å; V1002-P1116 HydrophobicContact CG2-CG 4.31Å; V1002-V1118 HydrophobicContact CB-CG2 4.35Å; V1002-V1118 HydrophobicContact CG1-CB 4.33Å; V1002-V1118 HydrophobicContact CG1-CG2 3.74Å; V1002-V1118 HydrophobicContact CG2-CG2 3.75Å
1003N96.3Very high96.3Very high24 Ų2420 Ų2013%0.12811%0.105CC..  trans-109.1-19.4173.5-70.5-27.5000113.4G1001 R1067 V1069 W1070 T1103G1001-N1003 PolarHBondContact O-N 3.38Å; N1003-R1067 WeakPolarHBondContact OD1-CD 3.33Å; N1003-V1069 WeakPolarHBondContact O-CA 3.17Å; N1003-W1070 PolarHBondContact O-N 3.16Å; N1003-T1103 HydrophobicContact CB-CG2 4.09Å
1004V98.3Very high95.6Very high1 Ų122.4 Ų22.41%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-134.9133.7-171.7-170.80000111.1V1002 W1070 L1072 V1099 T1103 I1117 V1118V1002-V1004 VanDerWaalsContact CG1-O 3.27Å; V1002-V1004 WeakPolarHBondContact CG1-O 3.37Å; V1004-W1070 CarbonylContact C-O 3.44Å; V1004-W1070 WeakPolarHBondContact CA-O 3.23Å; V1004-L1072 HydrophobicContact CG1-CD1 3.95Å; V1004-V1099 HydrophobicContact CG1-CG1 4.36Å; V1004-V1099 HydrophobicContact CG2-CG1 3.97Å; V1004-T1103 HydrophobicContact CG2-CG2 4.38Å; V1004-I1117 HydrophobicContact CB-CB 4.21Å; V1004-I1117 HydrophobicContact CB-CG2 3.85Å; V1004-I1117 HydrophobicContact CG1-CG2 4.43Å; V1004-I1117 HydrophobicContact CG2-CG2 4.37Å; V1004-V1118 PolarHBondContact O-N 2.78Å
1005I98.8Very high94.9Very high0 Ų026 Ų260%017%0.168CC..EExtended strand (participates in β ladder)trans-125.5121.8175.9-54.1170.5000108.8F993 W994 V997 V1002 Y1022 V1069 W1070 L1072 V1118F993-I1005 HydrophobicContact CE1-CD1 3.98Å; F993-I1005 HydrophobicContact CZ-CD1 4.11Å; F993-I1005 HydrophobicContact CZ-CG2 4.19Å; W994-I1005 HydrophobicContact CH2-CD1 3.98Å; W994-I1005 HydrophobicContact CZ3-CD1 4.13Å; V997-I1005 HydrophobicContact CG2-CD1 4.04Å; V997-I1005 HydrophobicContact CG2-CG1 4.49Å; V1002-I1005 HydrophobicContact CG1-CG1 4.35Å; I1005-Y1022 HydrophobicContact CD1-CE2 4.47Å; I1005-Y1022 WeakPolarHBondContact CG2-OH 3.5Å; I1005-V1069 HydrophobicContact CD1-CG1 3.64Å; I1005-V1069 HydrophobicContact CG1-CG1 3.85Å; I1005-W1070 PolarHBondContact N-O 3.49Å; I1005-L1072 PolarHBondContact O-N 2.99Å; I1005-V1118 CarbonylContact C-O 3.58Å; I1005-V1118 WeakPolarHBondContact CA-O 3.41Å; I1005-V1118 HydrophobicContact CG1-CB 4.26Å; I1005-V1118 HydrophobicContact CG2-CB 4.31Å; I1005-V1118 HydrophobicContact CG2-CG1 4.15Å
1006A98.7Very high94.3Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-102.6112.8173.100000110.4L1072 I1096 V1118 V1119 H1120 L1131A1006-L1072 WeakPolarHBondContact CA-O 3.3Å; A1006-I1096 HydrophobicContact CB-CD1 3.77Å; A1006-I1096 HydrophobicContact CB-CG1 4.37Å; A1006-V1118 PolarHBondContact N-O 2.8Å; A1006-V1119 HydrophobicContact CB-CG1 4.37Å; A1006-V1119 HydrophobicContact CB-CG2 4.37Å; A1006-V1119 WeakPolarHBondContact O-CA 3.48Å; A1006-H1120 PolarHBondContact O-N 2.87Å; A1006-L1131 HydrophobicContact CB-CD1 4.04Å
1007M98.4Very high94Very high0 Ų038.1 Ų38.10%022%0.221CC..EExtended strand (participates in β ladder)trans-104.3104179.8176.1166.9-177.300110.3T1009 Y1022 W1023 L1072 Q1073 Y1074 Y1092 H1120M1007-T1009 VanDerWaalsContact C-N 3.35Å; M1007-T1009 HydrophobicContact CE-CG2 3.69Å; M1007-T1009 WeakPolarHBondContact CE-O 3.47Å; M1007-T1009 HydrophobicContact CG-CG2 4.06Å; M1007-T1009 PolarHBondContact O-N 2.88Å; M1007-Y1022 HydrophobicContact SD-CE1 4.37Å; M1007-W1023 HydrophobicContact CE-CH2 3.77Å; M1007-W1023 HydrophobicContact CE-CZ3 4.15Å; M1007-W1023 HydrophobicContact SD-CH2 3.39Å; M1007-W1023 WeakPolarHBondContact SD-CH2 3.47Å; M1007-W1023 HydrophobicContact SD-CZ2 4.13Å; M1007-W1023 HydrophobicContact SD-CZ3 3.76Å; M1007-L1072 PolarHBondContact N-O 3.23Å; M1007-Q1073 HydrophobicContact CB-CB 4.28Å; M1007-Q1073 HydrophobicContact CB-CG 4.23Å; M1007-Q1073 HydrophobicContact CG-CG 4Å; M1007-Q1073 CarbonylContact O-C 3.44Å; M1007-Q1073 WeakPolarHBondContact O-CA 3.42Å; M1007-Q1073 HydrophobicContact SD-CG 4.21Å; M1007-Y1074 PolarHBondContact O-N 2.83Å; M1007-Y1092 PolarHBondContact N-OH 2.78Å; M1007-Y1092 PolarHBondContact O-OH 2.9Å; M1007-H1120 WeakPolarHBondContact CB-NE2 3.42Å; M1007-H1120 VanDerWaalsContact CG-CE1 3.4Å; M1007-H1120 WeakPolarHBondContact CG-CE1 3.27Å; M1007-H1120 WeakPolarHBondContact CG-NE2 3.49Å
1008V97.2Very high93.8Very high0 Ų040 Ų400%023%0.229CC..  trans-97.149.7-174.1-154.10000111.5Y1074 W1077 F1089 Y1092 V1119 H1120 C1121 R1127 L1131V1008-Y1074 HydrophobicContact CG1-CD1 4.42Å; V1008-W1077 HydrophobicContact CG1-CE3 3.8Å; V1008-W1077 HydrophobicContact CG1-CZ3 3.96Å; V1008-F1089 HydrophobicContact CG1-CE2 4.31Å; V1008-Y1092 HydrophobicContact CG2-CE1 4.47Å; V1008-V1119 HydrophobicContact CG2-CG1 4.27Å; V1008-H1120 PolarHBondContact N-O 3.48Å; V1008-C1121 HydrophobicContact CB-CB 4.38Å; V1008-R1127 HydrophobicContact CB-CB 3.98Å; V1008-R1127 HydrophobicContact CG1-CB 3.8Å; V1008-R1127 WeakPolarHBondContact O-CD 3.34Å; V1008-L1131 HydrophobicContact CG2-CB 4.29Å; V1008-L1131 HydrophobicContact CG2-CD1 3.36Å; V1008-L1131 HydrophobicContact CG2-CG 4.5Å
1009T93.8Very high93.8Very high1 Ų138.2 Ų38.21%0.00622%0.223CC..SBendtrans-170.9155.5-174.2-158.80000110.5M1007 E1013 K1018 Q1073 R1127M1007-T1009 VanDerWaalsContact C-N 3.35Å; M1007-T1009 HydrophobicContact CE-CG2 3.69Å; M1007-T1009 WeakPolarHBondContact CE-O 3.47Å; M1007-T1009 HydrophobicContact CG-CG2 4.06Å; M1007-T1009 PolarHBondContact O-N 2.88Å; T1009-E1013 WeakPolarHBondContact CA-OE1 3.22Å; T1009-E1013 PolarHBondContact OG1-OE1 3.47Å; T1009-K1018 HydrophobicContact CG2-CB 4.39Å; T1009-K1018 VanDerWaalsContact OG1-CB 3.3Å; T1009-K1018 WeakPolarHBondContact OG1-CB 3.46Å; T1009-Q1073 PolarHBondContact O-NE2 3.11Å; T1009-R1127 PolarHBondContact OG1-NH1 3.1Å; T1009-R1127 VanDerWaalsContact OG1-NH1 3.09Å
1010A92.3Very high93.8Very high31 Ų3138.6 Ų38.626%0.25622%0.224SC..  trans-79172.1162.900000111.1E1012 E1013A1010-E1012 VanDerWaalsContact C-N 3.31Å; A1010-E1013 HydrophobicContact CB-CG 4.08Å; A1010-E1013 PolarHBondContact N-OE1 3.47Å
1011E91.7Very high93.7Very high44 Ų4438.5 Ų38.521%0.20622%0.222CC..SBendtrans-59.6-45.6170.9-73.7160.6-125.400110.3K1018 S1019 R1021 W1023 K1025E1011-K1018 PolarHBondContact O-N 3.02Å; E1011-S1019 PolarHBondContact O-N 3.14Å; E1011-S1019 VanDerWaalsContact O-N 3.15Å; E1011-S1019 VanDerWaalsContact O-O 3.08Å; E1011-R1021 VanDerWaalsContact OE1-CD 3.22Å; E1011-R1021 WeakPolarHBondContact OE1-CD 3.47Å; E1011-R1021 IonicContact OE1-CZ 2.69Å; E1011-R1021 IonicContact OE1-NE 3.17Å; E1011-R1021 IonicContact OE1-NH1 3.35Å; E1011-R1021 PolarHBondContact OE1-NH1 3.14Å; E1011-R1021 WeakPolarHBondContact OE2-CD 3.4Å; E1011-W1023 HydrophobicContact CG-CH2 4.22Å; E1011-K1025 IonicContact OE1-NZ 2.64Å; E1011-K1025 PolarHBondContact OE1-NZ 3.05Å; E1011-K1025 IonicContact OE2-NZ 2.83Å; E1011-K1025 PolarHBondContact OE2-NZ 3Å
1012E91.3Very high93.8Very high117 Ų11737.2 Ų37.255%0.54721%0.209SC..EExtended strand (participates in β ladder)trans-137.8142.9-179.9-45.5-156.5115.800110.7A1010 R1016 T1017A1010-E1012 VanDerWaalsContact C-N 3.31Å; E1012-R1016 WeakPolarHBondContact CA-O 2.96Å; E1012-T1017 HydrophobicContact CG-CG2 4.32Å; E1012-T1017 WeakPolarHBondContact OE1-CB 3.33Å; E1012-T1017 PolarHBondContact OE1-OG1 3.14Å
1013E87.8Confident93.8Very high11 Ų1137.3 Ų37.35%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-142.8128.5-175.2-82.2163.4-143.100108.2T1009 A1010 G1015 R1016 K1018 D1079 R1127T1009-E1013 WeakPolarHBondContact CA-OE1 3.22Å; T1009-E1013 PolarHBondContact OG1-OE1 3.47Å; A1010-E1013 HydrophobicContact CB-CG 4.08Å; A1010-E1013 PolarHBondContact N-OE1 3.47Å; E1013-G1015 PolarHBondContact O-N 3.33Å; E1013-R1016 PolarHBondContact N-O 3.28Å; E1013-R1016 WeakPolarHBondContact O-CA 3.44Å; E1013-R1016 WeakPolarHBondContact O-CB 3.43Å; E1013-R1016 PolarHBondContact O-N 3.21Å; E1013-K1018 HydrophobicContact CB-CD 4.32Å; E1013-K1018 HydrophobicContact CB-CG 3.76Å; E1013-K1018 VanDerWaalsContact CB-NZ 3.3Å; E1013-K1018 HydrophobicContact CG-CG 4.05Å; E1013-K1018 IonicContact OE2-NZ 3.55Å; E1013-K1018 PolarHBondContact OE2-NZ 2.94Å; E1013-D1079 WeakPolarHBondContact CA-OD1 3.18Å; E1013-D1079 WeakPolarHBondContact CB-OD1 3.42Å; E1013-R1127 IonicContact OE1-CZ 2.61Å; E1013-R1127 IonicContact OE1-NH1 3.18Å; E1013-R1127 PolarHBondContact OE1-NH1 3.18Å; E1013-R1127 IonicContact OE1-NH2 3.52Å; E1013-R1127 IonicContact OE2-CZ 2.76Å; E1013-R1127 IonicContact OE2-NH1 2.71Å; E1013-R1127 PolarHBondContact OE2-NH1 3.2Å; E1013-R1127 IonicContact OE2-NH2 3.19Å; E1013-R1127 PolarHBondContact OE2-NH2 3.05Å
1014G83.3Confident93.6Very high53 Ų5336.6 Ų36.655%0.54621%0.206SC..THydrogen-bonded Turntrans58.229.4-176.100000113.8R1016 D1079G1014-R1016 PolarHBondContact O-N 3.18Å; G1014-D1079 WeakPolarHBondContact CA-OD2 3.5Å; G1014-D1079 PolarHBondContact N-OD1 2.85Å; G1014-D1079 PolarHBondContact N-OD2 3.36Å
1015G84.2Confident93Very high77 Ų7741.5 Ų41.579%0.79423%0.227SC*.THydrogen-bonded Turntrans7014.2-171.900000114.8E1013E1013-G1015 PolarHBondContact O-N 3.33Å
1016R86.9Confident92.1Very high193 Ų19345.9 Ų45.973%0.72825%0.25SS*.EExtended strand (participates in β ladder)trans-113.4122178.5-56.4-177.4-174.3-171.11.3110.2E1012 E1013 G1014 K1018E1012-R1016 WeakPolarHBondContact CA-O 2.96Å; E1013-R1016 PolarHBondContact N-O 3.28Å; E1013-R1016 WeakPolarHBondContact O-CA 3.44Å; E1013-R1016 WeakPolarHBondContact O-CB 3.43Å; E1013-R1016 PolarHBondContact O-N 3.21Å; G1014-R1016 PolarHBondContact O-N 3.18Å; R1016-K1018 PolarHBondContact O-N 2.84Å
1017T91.9Very high90.5Very high69 Ų6949 Ų4942%0.42328%0.282SS..EExtended strand (participates in β ladder)trans-63.6116.2178.5-40.80000111.2R938 E1012R938-T1017 PolarHBondContact NH1-O 3.3Å; E1012-T1017 HydrophobicContact CG-CG2 4.32Å; E1012-T1017 WeakPolarHBondContact OE1-CB 3.33Å; E1012-T1017 PolarHBondContact OE1-OG1 3.14Å
1018K94.9Very high89.4Confident39 Ų3951.6 Ų51.617%0.1730%0.301CS..  trans-92.9-37.9-179.7-60.9-65.9171.382.60112.1R938 T1009 E1011 E1013 R1016 S1122R938-K1018 PolarHBondContact NE-O 2.85Å; R938-K1018 PolarHBondContact NH1-O 2.76Å; T1009-K1018 HydrophobicContact CG2-CB 4.39Å; T1009-K1018 VanDerWaalsContact OG1-CB 3.3Å; T1009-K1018 WeakPolarHBondContact OG1-CB 3.46Å; E1011-K1018 PolarHBondContact O-N 3.02Å; E1013-K1018 HydrophobicContact CB-CD 4.32Å; E1013-K1018 HydrophobicContact CB-CG 3.76Å; E1013-K1018 VanDerWaalsContact CB-NZ 3.3Å; E1013-K1018 HydrophobicContact CG-CG 4.05Å; E1013-K1018 IonicContact OE2-NZ 3.55Å; E1013-K1018 PolarHBondContact OE2-NZ 2.94Å; R1016-K1018 PolarHBondContact O-N 2.84Å; K1018-S1122 WeakPolarHBondContact O-CA 3.35Å; K1018-S1122 WeakPolarHBondContact O-CB 3.21Å; K1018-S1122 PolarHBondContact O-OG 2.94Å
1019S97.2Very high88Confident1 Ų161.5 Ų61.51%0.00734%0.343CS..SBendtrans-145.2145176.2-1760000109.7E1011E1011-S1019 PolarHBondContact O-N 3.14Å; E1011-S1019 VanDerWaalsContact O-N 3.15Å; E1011-S1019 VanDerWaalsContact O-O 3.08Å
1020H97.3Very high87.1Confident72 Ų7268.3 Ų68.333%0.33338%0.375SS..  trans-73.7160.6167.9-166.367.6000111P985 P987 Y1022P985-H1020 WeakPolarHBondContact O-CB 3.49Å; P985-H1020 PolarHBondContact O-N 3.15Å; P987-H1020 HydrophobicContact CG-CB 4.46Å; H1020-Y1022 WeakPolarHBondContact O-CD1 3.48Å; H1020-Y1022 PolarHBondContact O-N 2.71Å
1021R95.3Very high86.7Confident49 Ų4969.2 Ų69.219%0.18538%0.379CS..  trans-80.180.7175.6-173.372.8-168.5-163.98.3110.9E1011 W1023 P1024 K1025 Y1035E1011-R1021 VanDerWaalsContact OE1-CD 3.22Å; E1011-R1021 WeakPolarHBondContact OE1-CD 3.47Å; E1011-R1021 IonicContact OE1-CZ 2.69Å; E1011-R1021 IonicContact OE1-NE 3.17Å; E1011-R1021 IonicContact OE1-NH1 3.35Å; E1011-R1021 PolarHBondContact OE1-NH1 3.14Å; E1011-R1021 WeakPolarHBondContact OE2-CD 3.4Å; R1021-W1023 VanDerWaalsContact C-N 3.26Å; R1021-W1023 WeakPolarHBondContact CD-O 3.48Å; R1021-W1023 WeakPolarHBondContact CG-O 3.47Å; R1021-W1023 PolarHBondContact NE-O 2.96Å; R1021-W1023 VanDerWaalsContact NH2-CE2 3.29Å; R1021-W1023 PolarHBondContact O-N 2.9Å; R1021-P1024 PolarHBondContact NH2-O 3.29Å; R1021-K1025 VanDerWaalsContact CD-CE 3.46Å; R1021-Y1035 PolarHBondContact O-OH 3.46Å
1022Y97.3Very high86.8Confident0 Ų068.7 Ų68.70%038%0.381CS..  trans-80.94.8-179.767.3-93.6000114.7P985 C990 F993 W994 I1005 M1007 H1020 Y1035 H1071 H1120P985-Y1022 HydrophobicContact CB-CD1 4.12Å; P985-Y1022 HydrophobicContact CB-CG 4.44Å; P985-Y1022 HydrophobicContact CG-CD1 3.59Å; P985-Y1022 HydrophobicContact CG-CE1 4.01Å; P985-Y1022 HydrophobicContact CG-CG 4.01Å; C990-Y1022 VanDerWaalsContact SG-CB 3.56Å; F993-Y1022 AromaticContact CD1-CD2 3.84Å; F993-Y1022 HydrophobicContact CD1-CD2 3.84Å; F993-Y1022 HydrophobicContact CD1-CE2 4.01Å; F993-Y1022 HydrophobicContact CD1-CG 4.39Å; F993-Y1022 AromaticContact CE1-CD2 3.57Å; F993-Y1022 HydrophobicContact CE1-CD2 3.57Å; F993-Y1022 AromaticContact CE1-CE2 3.26Å; F993-Y1022 HydrophobicContact CE1-CE2 3.26Å; F993-Y1022 HydrophobicContact CE1-CG 4.39Å; F993-Y1022 AromaticContact CE1-CZ 3.84Å; F993-Y1022 HydrophobicContact CZ-CD2 4.36Å; F993-Y1022 AromaticContact CZ-CE2 3.73Å; F993-Y1022 HydrophobicContact CZ-CE2 3.73Å; F993-Y1022 AromaticContact CZ-CZ 3.82Å; W994-Y1022 AromaticContact CE2-CD2 3.87Å; W994-Y1022 HydrophobicContact CH2-CE2 4.49Å; W994-Y1022 AromaticContact CZ2-CD2 3.61Å; W994-Y1022 HydrophobicContact CZ2-CD2 3.61Å; W994-Y1022 AromaticContact CZ2-CE2 3.95Å; W994-Y1022 HydrophobicContact CZ2-CE2 3.95Å; W994-Y1022 AromaticContact NE1-CD2 3.86Å; W994-Y1022 PolarHBondContact NE1-O 3.25Å; I1005-Y1022 HydrophobicContact CD1-CE2 4.47Å; I1005-Y1022 WeakPolarHBondContact CG2-OH 3.5Å; M1007-Y1022 HydrophobicContact SD-CE1 4.37Å; H1020-Y1022 WeakPolarHBondContact O-CD1 3.48Å; H1020-Y1022 PolarHBondContact O-N 2.71Å; Y1022-Y1035 VanDerWaalsContact C-CZ 3.43Å; Y1022-Y1035 WeakPolarHBondContact O-CE2 3.45Å; Y1022-Y1035 PolarHBondContact O-OH 2.93Å; Y1022-H1071 AromaticContact CE2-CD2 3.91Å; Y1022-H1071 AromaticContact CZ-CD2 3.77Å; Y1022-H1071 AromaticContact CZ-NE2 3.6Å; Y1022-H1071 PolarHBondContact OH-CD2 3.21Å; Y1022-H1071 VanDerWaalsContact OH-CD2 3.23Å; Y1022-H1071 PolarHBondContact OH-NE2 3.28Å; Y1022-H1071 VanDerWaalsContact OH-NE2 3.12Å; Y1022-H1120 AromaticContact CE1-CE1 3.82Å; Y1022-H1120 AromaticContact CE1-NE2 3.42Å; Y1022-H1120 WeakPolarHBondContact CE1-NE2 3.03Å; Y1022-H1120 AromaticContact CZ-NE2 3.52Å; Y1022-H1120 PolarHBondContact OH-CD2 3.25Å; Y1022-H1120 PolarHBondContact OH-NE2 3.38Å
1023W96.7Very high87Confident1 Ų164.6 Ų64.60%0.00437%0.367CS..SBendtrans-136.6149.7176.171.2118.5000111.5W994 M1007 E1011 R1021 Y1035 L1056 H1071W994-W1023 HydrophobicContact CZ2-CB 4.35Å; M1007-W1023 HydrophobicContact CE-CH2 3.77Å; M1007-W1023 HydrophobicContact CE-CZ3 4.15Å; M1007-W1023 HydrophobicContact SD-CH2 3.39Å; M1007-W1023 WeakPolarHBondContact SD-CH2 3.47Å; M1007-W1023 HydrophobicContact SD-CZ2 4.13Å; M1007-W1023 HydrophobicContact SD-CZ3 3.76Å; E1011-W1023 HydrophobicContact CG-CH2 4.22Å; R1021-W1023 VanDerWaalsContact C-N 3.26Å; R1021-W1023 WeakPolarHBondContact CD-O 3.48Å; R1021-W1023 WeakPolarHBondContact CG-O 3.47Å; R1021-W1023 PolarHBondContact NE-O 2.96Å; R1021-W1023 VanDerWaalsContact NH2-CE2 3.29Å; R1021-W1023 PolarHBondContact O-N 2.9Å; W1023-Y1035 PolarHBondContact N-OH 3.11Å; W1023-L1056 HydrophobicContact CB-CD1 3.93Å; W1023-L1056 HydrophobicContact CB-CD2 4.38Å; W1023-L1056 HydrophobicContact CG-CD1 4.39Å; W1023-H1071 AromaticContact CD2-CE1 3.98Å; W1023-H1071 AromaticContact CD2-NE2 3.67Å; W1023-H1071 AromaticContact CE2-CE1 3.36Å; W1023-H1071 AromaticContact CE2-ND1 3.94Å; W1023-H1071 AromaticContact CE2-NE2 3.55Å; W1023-H1071 AromaticContact CE3-NE2 3.8Å; W1023-H1071 AromaticContact CH2-CE1 3.91Å; W1023-H1071 AromaticContact CH2-NE2 3.92Å; W1023-H1071 AromaticContact CZ2-CE1 3.34Å; W1023-H1071 WeakPolarHBondContact CZ2-CE1 3.33Å; W1023-H1071 AromaticContact CZ2-NE2 3.7Å; W1023-H1071 AromaticContact CZ3-NE2 3.94Å; W1023-H1071 AromaticContact NE1-CE1 3.64Å; W1023-H1071 AromaticContact NE1-ND1 3.73Å
1024P93.3Very high87.4Confident10 Ų1068 Ų687%0.06539%0.388CS..PPolyproline II helixtrans-61.9161.3-178.1-17.629.1000113.1R1021 S1031 A1033 V1040 T1042R1021-P1024 PolarHBondContact NH2-O 3.29Å; P1024-S1031 VanDerWaalsContact CB-O 3.32Å; P1024-S1031 WeakPolarHBondContact CB-O 3.37Å; P1024-S1031 WeakPolarHBondContact CG-O 3.46Å; P1024-A1033 HydrophobicContact CG-CB 4.06Å; P1024-V1040 WeakPolarHBondContact CG-O 3.4Å; P1024-T1042 WeakPolarHBondContact CB-OG1 3.38Å; P1024-T1042 PolarHBondContact O-OG1 2.84Å; P1024-T1042 VanDerWaalsContact O-OG1 3.09Å
1025K84.5Confident88.1Confident104 Ų10467.1 Ų67.145%0.45237%0.369SS..PPolyproline II helixtrans-90140.1168.5-69.4-176-179.4-172.50108.7E1011 R1021 S1028E1011-K1025 IonicContact OE1-NZ 2.64Å; E1011-K1025 PolarHBondContact OE1-NZ 3.05Å; E1011-K1025 IonicContact OE2-NZ 2.83Å; E1011-K1025 PolarHBondContact OE2-NZ 3Å; R1021-K1025 VanDerWaalsContact CD-CE 3.46Å; K1025-S1028 PolarHBondContact O-OG 3.41Å
1026L80.1Confident88.6Confident91 Ų9166 Ų6648%0.47636%0.357SS..THydrogen-bonded Turntrans-67.8139.7174.1-173.164.7000108.5S1028 T1042 R1045L1026-S1028 VanDerWaalsContact C-N 3.34Å; L1026-S1028 PolarHBondContact O-N 3.38Å; L1026-T1042 HydrophobicContact CB-CG2 4.09Å; L1026-T1042 HydrophobicContact CD1-CG2 4.11Å; L1026-R1045 HydrophobicContact CD2-CB 4.08Å
1027G65.4Low89.1Confident65 Ų6561.2 Ų61.267%0.6734%0.342SS*.THydrogen-bonded Turntrans77.22.3179.200000116.8
1028S74.6Confident89.4Confident56 Ų5658.2 Ų58.239%0.39232%0.323SS..SBendtrans-72.2152.4166.2480000111.4K1025 L1026 H1030 S1031K1025-S1028 PolarHBondContact O-OG 3.41Å; L1026-S1028 VanDerWaalsContact C-N 3.34Å; L1026-S1028 PolarHBondContact O-N 3.38Å; S1028-H1030 CarbonylContact O-C 3.54Å; S1028-H1030 VanDerWaalsContact O-C 3.25Å; S1028-H1030 PolarHBondContact O-N 3.24Å; S1028-H1030 PolarHBondContact OG-O 2.89Å; S1028-S1031 PolarHBondContact O-N 3.38Å
1029K68Low89.5Confident207 Ų20760.1 Ų60.190%0.933%0.331SS*.SBendtrans-47.3-26.8178.6-74.1-170.2175.3-173.30114.3
1030H74.4Confident89.6Confident144 Ų14460.1 Ų60.167%0.66733%0.331SS*.  trans-120.9115.1164.9-47.9-53.9000107.4S1028 S1032S1028-H1030 CarbonylContact O-C 3.54Å; S1028-H1030 VanDerWaalsContact O-C 3.25Å; S1028-H1030 PolarHBondContact O-N 3.24Å; S1028-H1030 PolarHBondContact OG-O 2.89Å; H1030-S1032 PolarHBondContact O-N 3.31Å
1031S85.5Confident89.5Confident50 Ų5058 Ų5835%0.3532%0.323SS..SBendtrans-80.60.2171.654.10000112.5P1024 S1028 T1041 T1042P1024-S1031 VanDerWaalsContact CB-O 3.32Å; P1024-S1031 WeakPolarHBondContact CB-O 3.37Å; P1024-S1031 WeakPolarHBondContact CG-O 3.46Å; S1028-S1031 PolarHBondContact O-N 3.38Å; S1031-T1041 WeakPolarHBondContact O-CA 3.47Å; S1031-T1042 PolarHBondContact O-N 2.99Å
1032S92.4Very high89.5Confident34 Ų3455.9 Ų55.924%0.23832%0.315CS..EExtended strand (participates in β ladder)trans-126.1142.2177.170.10000112.5H1030 K1039 V1040 T1041H1030-S1032 PolarHBondContact O-N 3.31Å; S1032-K1039 VanDerWaalsContact CB-CE 3.42Å; S1032-K1039 WeakPolarHBondContact OG-CE 3.46Å; S1032-V1040 CarbonylContact C-O 3.49Å; S1032-V1040 WeakPolarHBondContact CA-O 3.41Å; S1032-V1040 WeakPolarHBondContact CB-O 3.3Å; S1032-T1041 VanDerWaalsContact CB-OG1 3.31Å; S1032-T1041 WeakPolarHBondContact CB-OG1 3.37Å
1033A95.4Very high89.1Confident31 Ų3162 Ų6226%0.25634%0.342SS..EExtended strand (participates in β ladder)trans-130.1157.5171.800000109.9P1024 Y1035 K1039 V1040P1024-A1033 HydrophobicContact CG-CB 4.06Å; A1033-Y1035 HydrophobicContact CB-CE2 3.76Å; A1033-K1039 CarbonylContact O-C 3.56Å; A1033-K1039 WeakPolarHBondContact O-CA 3.49Å; A1033-V1040 PolarHBondContact N-O 3.09Å; A1033-V1040 PolarHBondContact O-N 3.38Å
1034T97Very high88.8Confident81 Ų8165 Ų6550%0.49736%0.355SS..EExtended strand (participates in β ladder)trans-115.4127.7179.7-59.40000109.9G1036 F1038 L1061T1034-G1036 WeakPolarHBondContact CG2-O 3.26Å; T1034-F1038 CarbonylContact C-O 3.58Å; T1034-F1038 WeakPolarHBondContact CA-O 3.42Å; T1034-L1061 HydrophobicContact CG2-CD1 3.69Å
1035Y96.7Very high88.6Confident36 Ų3668.6 Ų68.614%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-120.697.2178.7-55.3-84.7000107.8C990 W994 R1021 Y1022 W1023 A1033 K1037 F1038 V1040C990-Y1035 HydrophobicContact CB-CD1 3.72Å; C990-Y1035 HydrophobicContact CB-CE1 4.25Å; C990-Y1035 HydrophobicContact CB-CG 4.5Å; W994-Y1035 AromaticContact CD1-CD2 3.62Å; W994-Y1035 AromaticContact CD1-CG 3.68Å; W994-Y1035 AromaticContact NE1-CD2 3.59Å; W994-Y1035 AromaticContact NE1-CE2 3.95Å; W994-Y1035 AromaticContact NE1-CG 4Å; R1021-Y1035 PolarHBondContact O-OH 3.46Å; Y1022-Y1035 VanDerWaalsContact C-CZ 3.43Å; Y1022-Y1035 WeakPolarHBondContact O-CE2 3.45Å; Y1022-Y1035 PolarHBondContact O-OH 2.93Å; W1023-Y1035 PolarHBondContact N-OH 3.11Å; A1033-Y1035 HydrophobicContact CB-CE2 3.76Å; Y1035-K1037 PolarHBondContact O-N 2.86Å; Y1035-F1038 PolarHBondContact N-O 3.2Å; Y1035-F1038 PolarHBondContact O-N 3.18Å; Y1035-F1038 VanDerWaalsContact O-N 3.11Å; Y1035-V1040 HydrophobicContact CD2-CB 4.31Å; Y1035-V1040 HydrophobicContact CD2-CG2 3.82Å; Y1035-V1040 HydrophobicContact CE2-CB 4.17Å; Y1035-V1040 HydrophobicContact CE2-CG2 4.12Å
1036G95.7Very high88.8Confident53 Ų5365.6 Ų65.655%0.54636%0.358SS..THydrogen-bonded Turntrans56-118.5-171.400000112T1034 F1038T1034-G1036 WeakPolarHBondContact CG2-O 3.26Å; G1036-F1038 VanDerWaalsContact C-N 3.28Å; G1036-F1038 PolarHBondContact O-N 3.22Å
1037K96.9Very high89.3Confident93 Ų9364.8 Ų64.840%0.40435%0.354SS..THydrogen-bonded Turntrans-80.30.7-178.6-62.3168.8-177.5169.10114.3Y1035 L1061 L1062Y1035-K1037 PolarHBondContact O-N 2.86Å; K1037-L1061 WeakPolarHBondContact O-CB 3.37Å; K1037-L1061 WeakPolarHBondContact O-CG 3.26Å; K1037-L1061 PolarHBondContact O-N 3.08Å; K1037-L1062 HydrophobicContact CD-CD1 3.82Å; K1037-L1062 HydrophobicContact CG-CD1 4.22Å
1038F98.1Very high90.3Very high6 Ų663.7 Ų63.73%0.02634%0.337CS..EExtended strand (participates in β ladder)trans-121.4121.8-170.3-55.6-77.7000112.1W994 Q995 W998 T1034 Y1035 G1036 V1058 K1059 H1060W994-F1038 HydrophobicContact CB-CB 3.93Å; W994-F1038 HydrophobicContact CB-CD2 3.81Å; W994-F1038 HydrophobicContact CB-CG 3.98Å; Q995-F1038 VanDerWaalsContact CA-CE2 3.44Å; Q995-F1038 HydrophobicContact CB-CE2 3.77Å; Q995-F1038 HydrophobicContact CB-CZ 4.31Å; Q995-F1038 HydrophobicContact CG-CE2 4.34Å; W998-F1038 HydrophobicContact CB-CD1 4.16Å; W998-F1038 HydrophobicContact CB-CE1 3.45Å; W998-F1038 VanDerWaalsContact CB-CE1 3.45Å; W998-F1038 HydrophobicContact CB-CZ 3.84Å; W998-F1038 AromaticContact CD1-CE1 3.89Å; W998-F1038 HydrophobicContact CD2-CD1 4.31Å; W998-F1038 AromaticContact CD2-CE1 3.83Å; W998-F1038 HydrophobicContact CD2-CE1 3.83Å; W998-F1038 HydrophobicContact CE3-CD1 4.34Å; W998-F1038 HydrophobicContact CE3-CE1 4.32Å; W998-F1038 HydrophobicContact CG-CD1 4.23Å; W998-F1038 AromaticContact CG-CE1 3.4Å; W998-F1038 HydrophobicContact CG-CE1 3.4Å; W998-F1038 VanDerWaalsContact CG-CE1 3.4Å; W998-F1038 HydrophobicContact CG-CZ 4.09Å; T1034-F1038 CarbonylContact C-O 3.58Å; T1034-F1038 WeakPolarHBondContact CA-O 3.42Å; Y1035-F1038 PolarHBondContact N-O 3.2Å; Y1035-F1038 PolarHBondContact O-N 3.18Å; Y1035-F1038 VanDerWaalsContact O-N 3.11Å; G1036-F1038 VanDerWaalsContact C-N 3.28Å; G1036-F1038 PolarHBondContact O-N 3.22Å; F1038-V1058 HydrophobicContact CB-CG1 4.38Å; F1038-V1058 HydrophobicContact CD1-CG1 4.46Å; F1038-K1059 WeakPolarHBondContact CA-O 3.25Å; F1038-H1060 HydrophobicContact CD1-CB 4.11Å; F1038-H1060 AromaticContact CD1-CD2 3.94Å; F1038-H1060 HydrophobicContact CE1-CB 3.95Å; F1038-H1060 AromaticContact CE1-CD2 3.35Å; F1038-H1060 WeakPolarHBondContact CE1-CD2 3.41Å; F1038-H1060 AromaticContact CE1-CG 3.86Å; F1038-H1060 AromaticContact CZ-CD2 3.86Å
1039K97.9Very high90.8Very high79 Ų7967.2 Ų67.234%0.34336%0.355SS..EExtended strand (participates in β ladder)trans-95.8113.2170.8179.6176.9179.8177.10109.5S1032 A1033 K1059 L1061S1032-K1039 VanDerWaalsContact CB-CE 3.42Å; S1032-K1039 WeakPolarHBondContact OG-CE 3.46Å; A1033-K1039 CarbonylContact O-C 3.56Å; A1033-K1039 WeakPolarHBondContact O-CA 3.49Å; K1039-K1059 HydrophobicContact CB-CB 4.44Å; K1039-K1059 PolarHBondContact N-O 3.32Å; K1039-K1059 PolarHBondContact O-N 3.27Å; K1039-L1061 HydrophobicContact CB-CD1 4.48Å; K1039-L1061 HydrophobicContact CB-CD2 3.86Å; K1039-L1061 HydrophobicContact CB-CG 4.29Å
1040V98.1Very high91.8Very high0 Ų058.2 Ų58.20%032%0.318CS..EExtended strand (participates in β ladder)trans-99.6130.2179.9-176.40000108.4W994 P1024 S1032 A1033 Y1035 L1056 V1058W994-V1040 HydrophobicContact CD2-CG2 3.7Å; W994-V1040 VanDerWaalsContact CE2-CG2 3.49Å; W994-V1040 HydrophobicContact CE3-CG2 4.17Å; W994-V1040 HydrophobicContact CG-CG2 4.11Å; W994-V1040 HydrophobicContact CH2-CG1 4.14Å; W994-V1040 HydrophobicContact CH2-CG2 4.29Å; W994-V1040 HydrophobicContact CZ2-CB 4.47Å; W994-V1040 HydrophobicContact CZ2-CG1 3.89Å; W994-V1040 HydrophobicContact CZ2-CG2 3.81Å; W994-V1040 HydrophobicContact CZ3-CG2 4.44Å; P1024-V1040 WeakPolarHBondContact CG-O 3.4Å; S1032-V1040 CarbonylContact C-O 3.49Å; S1032-V1040 WeakPolarHBondContact CA-O 3.41Å; S1032-V1040 WeakPolarHBondContact CB-O 3.3Å; A1033-V1040 PolarHBondContact N-O 3.09Å; A1033-V1040 PolarHBondContact O-N 3.38Å; Y1035-V1040 HydrophobicContact CD2-CB 4.31Å; Y1035-V1040 HydrophobicContact CD2-CG2 3.82Å; Y1035-V1040 HydrophobicContact CE2-CB 4.17Å; Y1035-V1040 HydrophobicContact CE2-CG2 4.12Å; V1040-L1056 HydrophobicContact CG1-CB 4.27Å; V1040-L1056 HydrophobicContact CG1-CD1 4.2Å; V1040-L1056 HydrophobicContact CG1-CD2 4.39Å; V1040-V1058 HydrophobicContact CG2-CG1 4.46Å; V1040-V1058 HydrophobicContact CG2-CG2 4.42Å
1041T95.8Very high92.8Very high27 Ų2752.5 Ų52.517%0.16629%0.291CS..EExtended strand (participates in β ladder)trans-126.5119.9-179.4-51.70000109.8S1031 S1032 L1056 K1057S1031-T1041 WeakPolarHBondContact O-CA 3.47Å; S1032-T1041 VanDerWaalsContact CB-OG1 3.31Å; S1032-T1041 WeakPolarHBondContact CB-OG1 3.37Å; T1041-L1056 WeakPolarHBondContact O-CA 3.23Å; T1041-K1057 PolarHBondContact N-O 2.87Å; T1041-K1057 PolarHBondContact O-N 2.88Å
1042T94.8Very high93.2Very high5 Ų550.1 Ų50.13%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-73.9129173.6-54.90000109.3P1024 L1026 S1031 T1054 L1056P1024-T1042 WeakPolarHBondContact CB-OG1 3.38Å; P1024-T1042 PolarHBondContact O-OG1 2.84Å; P1024-T1042 VanDerWaalsContact O-OG1 3.09Å; L1026-T1042 HydrophobicContact CB-CG2 4.09Å; L1026-T1042 HydrophobicContact CD1-CG2 4.11Å; S1031-T1042 PolarHBondContact O-N 2.99Å; T1042-T1054 HydrophobicContact CG2-CG2 3.66Å; T1042-L1056 HydrophobicContact CG2-CD2 4.18Å; T1042-L1056 WeakPolarHBondContact OG1-CD2 3.48Å
1043K90.8Very high93.4Very high129 Ų12948.6 Ų48.656%0.56126%0.263SS*.EExtended strand (participates in β ladder)trans-101.9-54.8-179-73.3-60.8-163.3168.70112.1G1055 K1057K1043-G1055 PolarHBondContact N-O 2.9Å; K1043-K1057 HydrophobicContact CG-CB 4.25Å
1044F88.5Confident93.4Very high64 Ų6447.2 Ų47.228%0.28125%0.252SS..EExtended strand (participates in β ladder)trans-142.3164.5177.359-96.4000109.8G1055 W1070F1044-G1055 PolarHBondContact O-N 3.03Å; F1044-W1070 HydrophobicContact CE2-CE3 4.33Å; F1044-W1070 HydrophobicContact CE2-CH2 4.37Å; F1044-W1070 AromaticContact CE2-CZ3 3.79Å; F1044-W1070 HydrophobicContact CE2-CZ3 3.79Å; F1044-W1070 HydrophobicContact CZ-CE3 4.14Å; F1044-W1070 AromaticContact CZ-CH2 3.74Å; F1044-W1070 HydrophobicContact CZ-CH2 3.74Å; F1044-W1070 HydrophobicContact CZ-CZ2 4.44Å; F1044-W1070 AromaticContact CZ-CZ3 3.57Å; F1044-W1070 HydrophobicContact CZ-CZ3 3.57Å
1045R89.1Confident93.4Very high85 Ų8543.4 Ų43.432%0.32123%0.229SC..EExtended strand (participates in β ladder)trans-146.3117.3167.4178.6174.1172.1-80.22.6109.3L1026 D1047 A1052 T1053 T1054L1026-R1045 HydrophobicContact CD2-CB 4.08Å; R1045-D1047 IonicContact CZ-OD2 3.98Å; R1045-D1047 IonicContact NH1-OD2 3.23Å; R1045-D1047 PolarHBondContact NH1-OD2 3.19Å; R1045-D1047 IonicContact NH2-OD2 2.85Å; R1045-D1047 PolarHBondContact NH2-OD2 3.26Å; R1045-A1052 HydrophobicContact CG-CB 4.44Å; R1045-T1053 CarbonylContact C-O 3.57Å; R1045-T1053 WeakPolarHBondContact CA-O 3.49Å; R1045-T1054 HydrophobicContact CB-CG2 4.3Å; R1045-T1054 WeakPolarHBondContact CG-OG1 3.26Å
1046T89.3Confident93.4Very high42 Ų4241.7 Ų41.726%0.25822%0.222SC..EExtended strand (participates in β ladder)trans-84.8140.3165.8-50.20000107.9A1052 T1053T1046-A1052 CarbonylContact O-C 3.5Å; T1046-A1052 VanDerWaalsContact O-CA 3.29Å; T1046-A1052 WeakPolarHBondContact O-CA 3.47Å; T1046-A1052 WeakPolarHBondContact O-CB 3.41Å; T1046-T1053 PolarHBondContact N-O 2.78Å; T1046-T1053 PolarHBondContact O-N 3.08Å
1047D91Very high93.5Very high73 Ų7342.6 Ų42.639%0.3921%0.211SC..EExtended strand (participates in β ladder)trans-119.3127.6174.5-154.3-39.4000107.9R1045 V1049 A1052R1045-D1047 IonicContact CZ-OD2 3.98Å; R1045-D1047 IonicContact NH1-OD2 3.23Å; R1045-D1047 PolarHBondContact NH1-OD2 3.19Å; R1045-D1047 IonicContact NH2-OD2 2.85Å; R1045-D1047 PolarHBondContact NH2-OD2 3.26Å; D1047-V1049 PolarHBondContact OD1-N 2.92Å; D1047-V1049 VanDerWaalsContact OD1-N 3.17Å; D1047-A1052 HydrophobicContact CB-CB 4.49Å
1048S86.9Confident93.5Very high43 Ų4338.2 Ų38.230%0.30119%0.192SC..  trans-117.422.1-177-55.70000110.8C1050 Y1051S1048-C1050 PolarHBondContact O-N 3.23Å; S1048-Y1051 CarbonylContact C-O 3.58Å; S1048-Y1051 WeakPolarHBondContact CA-O 3.32Å; S1048-Y1051 WeakPolarHBondContact CB-O 3.3Å; S1048-Y1051 PolarHBondContact N-O 2.98Å
1049V83.8Confident93.5Very high129 Ų12941 Ų4178%0.78220%0.204SC*.SBendtrans68-64.8-177.5-172.20000113.2D1047 Y1051 T1075D1047-V1049 PolarHBondContact OD1-N 2.92Å; D1047-V1049 VanDerWaalsContact OD1-N 3.17Å; V1049-Y1051 VanDerWaalsContact C-N 3.34Å; V1049-T1075 PolarHBondContact O-OG1 3.33Å
1050C89.4Confident93.5Very high18 Ų1838.6 Ų38.612%0.12219%0.194CC..SBendtrans-77.1-22.1-179.457.50000113.2S1048 Y1074 T1075 D1076S1048-C1050 PolarHBondContact O-N 3.23Å; C1050-Y1074 HydrophobicContact CB-CE2 4.43Å; C1050-Y1074 VanDerWaalsContact O-CD2 3.24Å; C1050-Y1074 WeakPolarHBondContact O-CD2 3.35Å; C1050-Y1074 WeakPolarHBondContact O-CE2 3.43Å; C1050-T1075 PolarHBondContact O-N 3.29Å; C1050-T1075 PolarHBondContact O-OG1 3.25Å; C1050-T1075 VanDerWaalsContact O-OG1 3.08Å; C1050-D1076 HydrophobicContact CB-CB 4.11Å; C1050-D1076 PolarHBondContact O-N 3.08Å
1051Y95.3Very high93.4Very high24 Ų2442.4 Ų42.49%0.09421%0.214CC..EExtended strand (participates in β ladder)trans-149.3170.8170.567.2-93.1000112.1S1048 V1049 Q1073 T1075 Y1092 E1095S1048-Y1051 CarbonylContact C-O 3.58Å; S1048-Y1051 WeakPolarHBondContact CA-O 3.32Å; S1048-Y1051 WeakPolarHBondContact CB-O 3.3Å; S1048-Y1051 PolarHBondContact N-O 2.98Å; V1049-Y1051 VanDerWaalsContact C-N 3.34Å; Y1051-Q1073 CarbonylContact C-O 3.58Å; Y1051-Q1073 WeakPolarHBondContact CA-O 3.14Å; Y1051-Q1073 WeakPolarHBondContact CB-O 3.39Å; Y1051-T1075 WeakPolarHBondContact CA-OG1 3.24Å; Y1051-T1075 PolarHBondContact N-OG1 2.93Å; Y1051-Y1092 VanDerWaalsContact CB-CD2 3.41Å; Y1051-Y1092 HydrophobicContact CD1-CD2 4.14Å; Y1051-Y1092 HydrophobicContact CD1-CG 4.45Å; Y1051-Y1092 HydrophobicContact CD2-CD2 4.09Å; Y1051-Y1092 AromaticContact CG-CD2 3.63Å; Y1051-Y1092 HydrophobicContact CG-CD2 3.63Å; Y1051-Y1092 HydrophobicContact CG-CG 4.35Å; Y1051-E1095 HydrophobicContact CD2-CG 4.24Å; Y1051-E1095 HydrophobicContact CE2-CB 3.8Å; Y1051-E1095 VanDerWaalsContact CE2-CD 3.47Å; Y1051-E1095 HydrophobicContact CE2-CG 3.53Å; Y1051-E1095 VanDerWaalsContact CE2-OE2 3.26Å; Y1051-E1095 WeakPolarHBondContact CE2-OE2 3.36Å; Y1051-E1095 PolarHBondContact OH-OE2 3.17Å
1052A94.4Very high93.4Very high0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-144.9129.2175.400000113.7R1045 T1046 D1047 Q1073R1045-A1052 HydrophobicContact CG-CB 4.44Å; T1046-A1052 CarbonylContact O-C 3.5Å; T1046-A1052 VanDerWaalsContact O-CA 3.29Å; T1046-A1052 WeakPolarHBondContact O-CA 3.47Å; T1046-A1052 WeakPolarHBondContact O-CB 3.41Å; D1047-A1052 HydrophobicContact CB-CB 4.49Å; A1052-Q1073 PolarHBondContact N-O 2.85Å; A1052-Q1073 PolarHBondContact O-N 2.92Å
1053T96.8Very high93.4Very high2 Ų249.7 Ų49.71%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-98.9119.8-177.9-640000110.9R1045 T1046 W1070 L1072 E1095R1045-T1053 CarbonylContact C-O 3.57Å; R1045-T1053 WeakPolarHBondContact CA-O 3.49Å; T1046-T1053 PolarHBondContact N-O 2.78Å; T1046-T1053 PolarHBondContact O-N 3.08Å; T1053-W1070 HydrophobicContact CG2-CE3 3.72Å; T1053-W1070 HydrophobicContact CG2-CZ3 4.13Å; T1053-L1072 HydrophobicContact CG2-CD1 4.33Å; T1053-L1072 HydrophobicContact CG2-CG 4.2Å; T1053-E1095 VanDerWaalsContact CB-OE1 3.27Å; T1053-E1095 WeakPolarHBondContact CB-OE1 3.41Å; T1053-E1095 WeakPolarHBondContact CG2-OE1 3.47Å; T1053-E1095 VanDerWaalsContact OG1-CD 3.26Å; T1053-E1095 WeakPolarHBondContact OG1-CG 3.36Å; T1053-E1095 PolarHBondContact OG1-OE1 2.87Å
1054T96.1Very high93.5Very high2 Ų245.1 Ų45.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-115.3119.5-175-52.10000111T1042 R1045 L1056 H1071T1042-T1054 HydrophobicContact CG2-CG2 3.66Å; R1045-T1054 HydrophobicContact CB-CG2 4.3Å; R1045-T1054 WeakPolarHBondContact CG-OG1 3.26Å; T1054-L1056 HydrophobicContact CG2-CD2 3.71Å; T1054-L1056 HydrophobicContact CG2-CG 4.34Å; T1054-H1071 WeakPolarHBondContact CB-O 3.43Å; T1054-H1071 PolarHBondContact N-O 2.73Å; T1054-H1071 PolarHBondContact O-N 2.76Å
1055G96.1Very high93.8Very high1 Ų147.6 Ų47.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-81.2118.1173.700000111.5K1043 F1044K1043-G1055 PolarHBondContact N-O 2.9Å; F1044-G1055 PolarHBondContact O-N 3.03Å
1056L97.4Very high94.2Very high1 Ų147.8 Ų47.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-113.3130.7178.8-54.1178.1000110.5W994 W1023 V1040 T1041 T1042 T1054 T1068 V1069 H1071W994-L1056 HydrophobicContact CH2-CD1 3.72Å; W994-L1056 HydrophobicContact CZ2-CD1 4.22Å; W1023-L1056 HydrophobicContact CB-CD1 3.93Å; W1023-L1056 HydrophobicContact CB-CD2 4.38Å; W1023-L1056 HydrophobicContact CG-CD1 4.39Å; V1040-L1056 HydrophobicContact CG1-CB 4.27Å; V1040-L1056 HydrophobicContact CG1-CD1 4.2Å; V1040-L1056 HydrophobicContact CG1-CD2 4.39Å; T1041-L1056 WeakPolarHBondContact O-CA 3.23Å; T1042-L1056 HydrophobicContact CG2-CD2 4.18Å; T1042-L1056 WeakPolarHBondContact OG1-CD2 3.48Å; T1054-L1056 HydrophobicContact CG2-CD2 3.71Å; T1054-L1056 HydrophobicContact CG2-CG 4.34Å; L1056-T1068 CarbonylContact O-C 3.57Å; L1056-T1068 WeakPolarHBondContact O-CA 3.27Å; L1056-V1069 WeakPolarHBondContact CA-O 3.33Å; L1056-V1069 VanDerWaalsContact CB-O 3.31Å; L1056-V1069 WeakPolarHBondContact CB-O 3.41Å; L1056-V1069 PolarHBondContact N-O 3.44Å; L1056-V1069 PolarHBondContact O-N 2.94Å; L1056-H1071 HydrophobicContact CD1-CB 3.74Å; L1056-H1071 HydrophobicContact CG-CB 4.26Å
1057K96.9Very high94.4Very high72 Ų7248.3 Ų48.331%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-95.2115.5163.8171165.8-90.5-1550108.9T1041 K1043 E1066T1041-K1057 PolarHBondContact N-O 2.87Å; T1041-K1057 PolarHBondContact O-N 2.88Å; K1043-K1057 HydrophobicContact CG-CB 4.25Å; K1057-E1066 HydrophobicContact CD-CB 4.47Å; K1057-E1066 VanDerWaalsContact CD-OE2 3.27Å; K1057-E1066 WeakPolarHBondContact CD-OE2 3.45Å; K1057-E1066 VanDerWaalsContact CE-OE2 3.24Å; K1057-E1066 WeakPolarHBondContact CE-OE2 3.32Å; K1057-E1066 HydrophobicContact CG-CB 4.48Å; K1057-E1066 IonicContact NZ-OE2 3.74Å; K1057-E1066 PolarHBondContact NZ-OE2 2.96Å
1058V97.9Very high94.6Very high1 Ų148.1 Ų48.11%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-100.4123.5176.8-174.80000108.6W994 W998 F1038 V1040 E1066 R1067 V1069W994-V1058 HydrophobicContact CE3-CG1 4.29Å; W994-V1058 HydrophobicContact CE3-CG2 4.01Å; W994-V1058 HydrophobicContact CH2-CG2 4.2Å; W994-V1058 HydrophobicContact CZ3-CG2 3.55Å; W998-V1058 HydrophobicContact CE3-CG1 4.07Å; W998-V1058 HydrophobicContact CZ3-CG1 4.31Å; F1038-V1058 HydrophobicContact CB-CG1 4.38Å; F1038-V1058 HydrophobicContact CD1-CG1 4.46Å; V1040-V1058 HydrophobicContact CG2-CG1 4.46Å; V1040-V1058 HydrophobicContact CG2-CG2 4.42Å; V1058-E1066 CarbonylContact O-C 3.59Å; V1058-E1066 VanDerWaalsContact O-CA 3.28Å; V1058-E1066 WeakPolarHBondContact O-CA 3.4Å; V1058-R1067 PolarHBondContact N-O 3.32Å; V1058-R1067 PolarHBondContact O-N 3.05Å; V1058-V1069 HydrophobicContact CB-CG2 4.49Å; V1058-V1069 HydrophobicContact CG2-CB 4.13Å; V1058-V1069 HydrophobicContact CG2-CG2 3.73Å
1059K97.8Very high95.1Very high63 Ų6346.1 Ų46.127%0.27425%0.247SC..EExtended strand (participates in β ladder)trans-108.9123.2173.3-173.1179.4-165.874.50109.9F1038 K1039 L1061 G1064 Q1065 E1066F1038-K1059 WeakPolarHBondContact CA-O 3.25Å; K1039-K1059 HydrophobicContact CB-CB 4.44Å; K1039-K1059 PolarHBondContact N-O 3.32Å; K1039-K1059 PolarHBondContact O-N 3.27Å; K1059-L1061 HydrophobicContact CD-CD2 4.5Å; K1059-L1061 PolarHBondContact O-N 2.77Å; K1059-G1064 WeakPolarHBondContact CE-O 3.25Å; K1059-G1064 PolarHBondContact NZ-O 3.15Å; K1059-Q1065 WeakPolarHBondContact CA-O 3.48Å; K1059-E1066 HydrophobicContact CB-CG 3.84Å; K1059-E1066 HydrophobicContact CD-CG 4.23Å; K1059-E1066 WeakPolarHBondContact CD-OE1 3.14Å; K1059-E1066 HydrophobicContact CG-CG 3.69Å; K1059-E1066 IonicContact NZ-OE1 2.66Å; K1059-E1066 PolarHBondContact NZ-OE1 3.36Å
1060H97.7Very high95.8Very high29 Ų2941.3 Ų41.313%0.13422%0.215CC..EExtended strand (participates in β ladder)trans-78.1119.2166.4178-134000109.1W998 F1038 L1062 S1063 G1064 Q1065W998-H1060 HydrophobicContact CD2-CB 3.99Å; W998-H1060 HydrophobicContact CE3-CB 4.24Å; W998-H1060 HydrophobicContact CH2-CB 3.81Å; W998-H1060 HydrophobicContact CZ2-CB 3.51Å; W998-H1060 HydrophobicContact CZ3-CB 4.15Å; F1038-H1060 HydrophobicContact CD1-CB 4.11Å; F1038-H1060 AromaticContact CD1-CD2 3.94Å; F1038-H1060 HydrophobicContact CE1-CB 3.95Å; F1038-H1060 AromaticContact CE1-CD2 3.35Å; F1038-H1060 WeakPolarHBondContact CE1-CD2 3.41Å; F1038-H1060 AromaticContact CE1-CG 3.86Å; F1038-H1060 AromaticContact CZ-CD2 3.86Å; H1060-L1062 VanDerWaalsContact C-N 3.33Å; H1060-L1062 PolarHBondContact O-N 2.76Å; H1060-S1063 PolarHBondContact ND1-N 3.26Å; H1060-S1063 PolarHBondContact ND1-OG 2.62Å; H1060-G1064 WeakPolarHBondContact O-CA 3.47Å; H1060-G1064 PolarHBondContact O-N 2.83Å; H1060-Q1065 PolarHBondContact N-O 3.09Å
1061L96.8Very high96.2Very high80 Ų8040.5 Ų40.542%0.41921%0.209SC..THydrogen-bonded Turntrans-72.3-23.8-168.9-67.6175.8000113.6T1034 K1037 K1039 K1059T1034-L1061 HydrophobicContact CG2-CD1 3.69Å; K1037-L1061 WeakPolarHBondContact O-CB 3.37Å; K1037-L1061 WeakPolarHBondContact O-CG 3.26Å; K1037-L1061 PolarHBondContact O-N 3.08Å; K1039-L1061 HydrophobicContact CB-CD1 4.48Å; K1039-L1061 HydrophobicContact CB-CD2 3.86Å; K1039-L1061 HydrophobicContact CB-CG 4.29Å; K1059-L1061 HydrophobicContact CD-CD2 4.5Å; K1059-L1061 PolarHBondContact O-N 2.77Å
1062L94.8Very high96.3Very high128 Ų12839.3 Ų39.367%0.6721%0.205SC*.THydrogen-bonded Turntrans-84.8-38.9-178.6-54.3179.3000113.1K1037 H1060K1037-L1062 HydrophobicContact CD-CD1 3.82Å; K1037-L1062 HydrophobicContact CG-CD1 4.22Å; H1060-L1062 VanDerWaalsContact C-N 3.33Å; H1060-L1062 PolarHBondContact O-N 2.76Å
1063S94.9Very high96.5Very high58 Ų5839.9 Ų39.941%0.40621%0.207SC..THydrogen-bonded Turntrans-94.4-7.6176.664.90000113.7H1060 Q1065H1060-S1063 PolarHBondContact ND1-N 3.26Å; H1060-S1063 PolarHBondContact ND1-OG 2.62Å; S1063-Q1065 PolarHBondContact O-N 3.16Å; S1063-Q1065 PolarHBondContact OG-OE1 3.34Å
1064G93.8Very high96.5Very high33 Ų3339.9 Ų39.934%0.3421%0.207SC..  trans69.9-8.7-176.600000115.1K1059 H1060K1059-G1064 WeakPolarHBondContact CE-O 3.25Å; K1059-G1064 PolarHBondContact NZ-O 3.15Å; H1060-G1064 WeakPolarHBondContact O-CA 3.47Å; H1060-G1064 PolarHBondContact O-N 2.83Å
1065Q94.8Very high96.4Very high115 Ų11542.4 Ų42.454%0.53722%0.222SC..  trans-63.2152.1-178.8-69.3165.4-36.600112.2W998 K1059 H1060 S1063W998-Q1065 HydrophobicContact CH2-CB 3.87Å; W998-Q1065 HydrophobicContact CZ2-CB 3.85Å; K1059-Q1065 WeakPolarHBondContact CA-O 3.48Å; H1060-Q1065 PolarHBondContact N-O 3.09Å; S1063-Q1065 PolarHBondContact O-N 3.16Å; S1063-Q1065 PolarHBondContact OG-OE1 3.34Å
1066E95.6Very high96.1Very high89 Ų8945.7 Ų45.742%0.41624%0.24SC..EExtended strand (participates in β ladder)trans-131.5139.9-177.3-64.9-178.7175.400110.9K1057 V1058 K1059K1057-E1066 HydrophobicContact CD-CB 4.47Å; K1057-E1066 VanDerWaalsContact CD-OE2 3.27Å; K1057-E1066 WeakPolarHBondContact CD-OE2 3.45Å; K1057-E1066 VanDerWaalsContact CE-OE2 3.24Å; K1057-E1066 WeakPolarHBondContact CE-OE2 3.32Å; K1057-E1066 HydrophobicContact CG-CB 4.48Å; K1057-E1066 IonicContact NZ-OE2 3.74Å; K1057-E1066 PolarHBondContact NZ-OE2 2.96Å; V1058-E1066 CarbonylContact O-C 3.59Å; V1058-E1066 VanDerWaalsContact O-CA 3.28Å; V1058-E1066 WeakPolarHBondContact O-CA 3.4Å; K1059-E1066 HydrophobicContact CB-CG 3.84Å; K1059-E1066 HydrophobicContact CD-CG 4.23Å; K1059-E1066 WeakPolarHBondContact CD-OE1 3.14Å; K1059-E1066 HydrophobicContact CG-CG 3.69Å; K1059-E1066 IonicContact NZ-OE1 2.66Å; K1059-E1066 PolarHBondContact NZ-OE1 3.36Å
1067R93.6Very high95.8Very high53 Ų5346.2 Ų46.220%0.224%0.242CC..EExtended strand (participates in β ladder)trans-130144.6175.2-165.4-169.7-62.91592.9109.6V997 W998 V1002 N1003 V1058V997-R1067 PolarHBondContact O-NH1 3.23Å; W998-R1067 HydrophobicContact CH2-CB 4.44Å; W998-R1067 HydrophobicContact CZ3-CB 3.9Å; W998-R1067 PolarHBondContact O-NH1 3.09Å; W998-R1067 PolarHBondContact O-NH2 3.04Å; V1002-R1067 WeakPolarHBondContact O-CD 3.47Å; V1002-R1067 PolarHBondContact O-NH1 3.27Å; N1003-R1067 WeakPolarHBondContact OD1-CD 3.33Å; V1058-R1067 PolarHBondContact N-O 3.32Å; V1058-R1067 PolarHBondContact O-N 3.05Å
1068T95.2Very high95.3Very high69 Ų6945.2 Ų45.242%0.42324%0.243SC..EExtended strand (participates in β ladder)trans-85.8128.7166.2-58.10000108.9L1056L1056-T1068 CarbonylContact O-C 3.57Å; L1056-T1068 WeakPolarHBondContact O-CA 3.27Å
1069V98Very high94.2Very high1 Ų149.1 Ų49.11%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-122.9128.4174.8-179.80000108.1W994 V997 N1003 I1005 L1056 V1058W994-V1069 HydrophobicContact CZ3-CG1 4.47Å; V997-V1069 HydrophobicContact CG1-CG1 4.36Å; V997-V1069 HydrophobicContact CG1-CG2 4.14Å; N1003-V1069 WeakPolarHBondContact O-CA 3.17Å; I1005-V1069 HydrophobicContact CD1-CG1 3.64Å; I1005-V1069 HydrophobicContact CG1-CG1 3.85Å; L1056-V1069 WeakPolarHBondContact CA-O 3.33Å; L1056-V1069 VanDerWaalsContact CB-O 3.31Å; L1056-V1069 WeakPolarHBondContact CB-O 3.41Å; L1056-V1069 PolarHBondContact N-O 3.44Å; L1056-V1069 PolarHBondContact O-N 2.94Å; V1058-V1069 HydrophobicContact CB-CG2 4.49Å; V1058-V1069 HydrophobicContact CG2-CB 4.13Å; V1058-V1069 HydrophobicContact CG2-CG2 3.73Å
1070W98Very high93Very high29 Ų2954.3 Ų54.311%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-92.7124.1178.2-62.379.2000109.3N1003 V1004 I1005 F1044 T1053 L1072 V1099N1003-W1070 PolarHBondContact O-N 3.16Å; V1004-W1070 CarbonylContact C-O 3.44Å; V1004-W1070 WeakPolarHBondContact CA-O 3.23Å; I1005-W1070 PolarHBondContact N-O 3.49Å; F1044-W1070 HydrophobicContact CE2-CE3 4.33Å; F1044-W1070 HydrophobicContact CE2-CH2 4.37Å; F1044-W1070 AromaticContact CE2-CZ3 3.79Å; F1044-W1070 HydrophobicContact CE2-CZ3 3.79Å; F1044-W1070 HydrophobicContact CZ-CE3 4.14Å; F1044-W1070 AromaticContact CZ-CH2 3.74Å; F1044-W1070 HydrophobicContact CZ-CH2 3.74Å; F1044-W1070 HydrophobicContact CZ-CZ2 4.44Å; F1044-W1070 AromaticContact CZ-CZ3 3.57Å; F1044-W1070 HydrophobicContact CZ-CZ3 3.57Å; T1053-W1070 HydrophobicContact CG2-CE3 3.72Å; T1053-W1070 HydrophobicContact CG2-CZ3 4.13Å; W1070-L1072 HydrophobicContact CB-CD1 3.74Å; W1070-V1099 HydrophobicContact CB-CG1 3.54Å; W1070-V1099 HydrophobicContact CD2-CG1 3.74Å; W1070-V1099 HydrophobicContact CE3-CG1 4.15Å; W1070-V1099 HydrophobicContact CE3-CG2 4.29Å; W1070-V1099 HydrophobicContact CG-CG1 3.46Å; W1070-V1099 VanDerWaalsContact CG-CG1 3.46Å
1071H98.4Very high92.4Very high0 Ų055.1 Ų55.10%030%0.304CS..EExtended strand (participates in β ladder)trans-113.3101.7179.8173.5-68.6000109.5Y1022 W1023 T1054 L1056Y1022-H1071 AromaticContact CE2-CD2 3.91Å; Y1022-H1071 AromaticContact CZ-CD2 3.77Å; Y1022-H1071 AromaticContact CZ-NE2 3.6Å; Y1022-H1071 PolarHBondContact OH-CD2 3.21Å; Y1022-H1071 VanDerWaalsContact OH-CD2 3.23Å; Y1022-H1071 PolarHBondContact OH-NE2 3.28Å; Y1022-H1071 VanDerWaalsContact OH-NE2 3.12Å; W1023-H1071 AromaticContact CD2-CE1 3.98Å; W1023-H1071 AromaticContact CD2-NE2 3.67Å; W1023-H1071 AromaticContact CE2-CE1 3.36Å; W1023-H1071 AromaticContact CE2-ND1 3.94Å; W1023-H1071 AromaticContact CE2-NE2 3.55Å; W1023-H1071 AromaticContact CE3-NE2 3.8Å; W1023-H1071 AromaticContact CH2-CE1 3.91Å; W1023-H1071 AromaticContact CH2-NE2 3.92Å; W1023-H1071 AromaticContact CZ2-CE1 3.34Å; W1023-H1071 WeakPolarHBondContact CZ2-CE1 3.33Å; W1023-H1071 AromaticContact CZ2-NE2 3.7Å; W1023-H1071 AromaticContact CZ3-NE2 3.94Å; W1023-H1071 AromaticContact NE1-CE1 3.64Å; W1023-H1071 AromaticContact NE1-ND1 3.73Å; T1054-H1071 WeakPolarHBondContact CB-O 3.43Å; T1054-H1071 PolarHBondContact N-O 2.73Å; T1054-H1071 PolarHBondContact O-N 2.76Å; L1056-H1071 HydrophobicContact CD1-CB 3.74Å; L1056-H1071 HydrophobicContact CG-CB 4.26Å
1072L98.4Very high92.2Very high0 Ų052.3 Ų52.30%029%0.291CS..EExtended strand (participates in β ladder)trans-97.3117.4-177.7-66.166.9000107.3V1004 I1005 A1006 M1007 T1053 W1070 Y1092 E1095 I1096 V1099V1004-L1072 HydrophobicContact CG1-CD1 3.95Å; I1005-L1072 PolarHBondContact O-N 2.99Å; A1006-L1072 WeakPolarHBondContact CA-O 3.3Å; M1007-L1072 PolarHBondContact N-O 3.23Å; T1053-L1072 HydrophobicContact CG2-CD1 4.33Å; T1053-L1072 HydrophobicContact CG2-CG 4.2Å; W1070-L1072 HydrophobicContact CB-CD1 3.74Å; L1072-Y1092 HydrophobicContact CB-CE2 3.91Å; L1072-Y1092 PolarHBondContact O-OH 2.8Å; L1072-Y1092 VanDerWaalsContact O-OH 3.05Å; L1072-E1095 HydrophobicContact CD2-CB 4.38Å; L1072-E1095 HydrophobicContact CD2-CG 3.62Å; L1072-E1095 HydrophobicContact CG-CG 4.31Å; L1072-I1096 HydrophobicContact CD2-CB 4.29Å; L1072-I1096 HydrophobicContact CD2-CG1 3.57Å; L1072-V1099 HydrophobicContact CD1-CG1 4.28Å; L1072-V1099 HydrophobicContact CD2-CB 4.39Å; L1072-V1099 HydrophobicContact CD2-CG2 4.23Å
1073Q98.1Very high91.9Very high12 Ų1246.5 Ų46.56%0.05626%0.261CS..EExtended strand (participates in β ladder)trans-113116.9-178.9-177.1174.116.600110.5M1007 T1009 Y1051 A1052 T1075M1007-Q1073 HydrophobicContact CB-CB 4.28Å; M1007-Q1073 HydrophobicContact CB-CG 4.23Å; M1007-Q1073 HydrophobicContact CG-CG 4Å; M1007-Q1073 CarbonylContact O-C 3.44Å; M1007-Q1073 WeakPolarHBondContact O-CA 3.42Å; M1007-Q1073 HydrophobicContact SD-CG 4.21Å; T1009-Q1073 PolarHBondContact O-NE2 3.11Å; Y1051-Q1073 CarbonylContact C-O 3.58Å; Y1051-Q1073 WeakPolarHBondContact CA-O 3.14Å; Y1051-Q1073 WeakPolarHBondContact CB-O 3.39Å; A1052-Q1073 PolarHBondContact N-O 2.85Å; A1052-Q1073 PolarHBondContact O-N 2.92Å; Q1073-T1075 HydrophobicContact CG-CG2 4.28Å
1074Y97.3Very high91.5Very high1 Ų153 Ų530%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-75.7124.8167.1-171.1-105.5000109.7M1007 V1008 C1050 D1076 W1077 P1083 F1089 Y1092M1007-Y1074 PolarHBondContact O-N 2.83Å; V1008-Y1074 HydrophobicContact CG1-CD1 4.42Å; C1050-Y1074 HydrophobicContact CB-CE2 4.43Å; C1050-Y1074 VanDerWaalsContact O-CD2 3.24Å; C1050-Y1074 WeakPolarHBondContact O-CD2 3.35Å; C1050-Y1074 WeakPolarHBondContact O-CE2 3.43Å; Y1074-D1076 HydrophobicContact CE1-CB 4.27Å; Y1074-D1076 HydrophobicContact CE2-CB 4.48Å; Y1074-W1077 HydrophobicContact CD1-CB 4.04Å; Y1074-W1077 HydrophobicContact CD1-CE3 4.25Å; Y1074-W1077 HydrophobicContact CE1-CB 3.95Å; Y1074-W1077 HydrophobicContact CE1-CE3 4.15Å; Y1074-P1083 HydrophobicContact CE1-CG 3.73Å; Y1074-P1083 VanDerWaalsContact OH-CB 3.31Å; Y1074-P1083 WeakPolarHBondContact OH-CB 3.33Å; Y1074-P1083 WeakPolarHBondContact OH-CG 3.44Å; Y1074-F1089 HydrophobicContact CD1-CD2 4.41Å; Y1074-F1089 HydrophobicContact CD2-CD2 4.28Å; Y1074-F1089 HydrophobicContact CE1-CD2 4.04Å; Y1074-F1089 HydrophobicContact CE2-CB 4.23Å; Y1074-F1089 AromaticContact CE2-CD2 3.94Å; Y1074-F1089 HydrophobicContact CE2-CD2 3.94Å; Y1074-F1089 AromaticContact CZ-CD2 3.8Å; Y1074-Y1092 AromaticContact CD2-CD1 3.82Å; Y1074-Y1092 HydrophobicContact CD2-CD1 3.82Å; Y1074-Y1092 HydrophobicContact CD2-CD2 4.27Å; Y1074-Y1092 HydrophobicContact CD2-CE1 4.46Å; Y1074-Y1092 AromaticContact CD2-CG 3.69Å; Y1074-Y1092 HydrophobicContact CD2-CG 3.69Å; Y1074-Y1092 HydrophobicContact CG-CD1 4.08Å; Y1074-Y1092 HydrophobicContact CG-CE1 4.3Å; Y1074-Y1092 HydrophobicContact CG-CG 4.31Å
1075T92.3Very high91.3Very high55 Ų5554.7 Ų54.734%0.33729%0.286SS..  trans-105.4-22.9-172.233.80000113.3V1049 C1050 Y1051 Q1073 W1077V1049-T1075 PolarHBondContact O-OG1 3.33Å; C1050-T1075 PolarHBondContact O-N 3.29Å; C1050-T1075 PolarHBondContact O-OG1 3.25Å; C1050-T1075 VanDerWaalsContact O-OG1 3.08Å; Y1051-T1075 WeakPolarHBondContact CA-OG1 3.24Å; Y1051-T1075 PolarHBondContact N-OG1 2.93Å; Q1073-T1075 HydrophobicContact CG-CG2 4.28Å; T1075-W1077 VanDerWaalsContact C-N 3.34Å; T1075-W1077 PolarHBondContact O-N 3.13Å
1076D90.3Very high91.2Very high71 Ų7150 Ų5038%0.3827%0.266SS..  trans-90.425.1-172.1-15752.8000115.2C1050 Y1074 P1078C1050-D1076 HydrophobicContact CB-CB 4.11Å; C1050-D1076 PolarHBondContact O-N 3.08Å; Y1074-D1076 HydrophobicContact CE1-CB 4.27Å; Y1074-D1076 HydrophobicContact CE2-CB 4.48Å; D1076-P1078 VanDerWaalsContact O-CD 3.27Å; D1076-P1078 WeakPolarHBondContact O-CD 3.36Å
1077W90.8Very high91.1Very high12 Ų1249 Ų495%0.04526%0.261CS..  trans-89113.6174.1-154.7-50.7000111.3V1008 Y1074 T1075 G1081 C1082 P1083 F1089 R1127 V1130 Q1169 F1172V1008-W1077 HydrophobicContact CG1-CE3 3.8Å; V1008-W1077 HydrophobicContact CG1-CZ3 3.96Å; Y1074-W1077 HydrophobicContact CD1-CB 4.04Å; Y1074-W1077 HydrophobicContact CD1-CE3 4.25Å; Y1074-W1077 HydrophobicContact CE1-CB 3.95Å; Y1074-W1077 HydrophobicContact CE1-CE3 4.15Å; T1075-W1077 VanDerWaalsContact C-N 3.34Å; T1075-W1077 PolarHBondContact O-N 3.13Å; W1077-G1081 PolarHBondContact NE1-O 2.79Å; W1077-C1082 HydrophobicContact CZ2-CB 4.25Å; W1077-P1083 HydrophobicContact CD2-CG 4.1Å; W1077-P1083 HydrophobicContact CE3-CG 4.2Å; W1077-P1083 HydrophobicContact CG-CG 4.3Å; W1077-F1089 HydrophobicContact CE3-CE2 4.42Å; W1077-F1089 AromaticContact CZ3-CE2 3.92Å; W1077-F1089 HydrophobicContact CZ3-CE2 3.92Å; W1077-F1089 HydrophobicContact CZ3-CZ 4.48Å; W1077-R1127 VanDerWaalsContact CD1-CZ 3.44Å; W1077-R1127 HydrophobicContact CD2-CG 3.74Å; W1077-R1127 HydrophobicContact CE3-CB 4.09Å; W1077-R1127 HydrophobicContact CE3-CG 3.82Å; W1077-R1127 HydrophobicContact CG-CG 4.49Å; W1077-R1127 VanDerWaalsContact CG-CZ 3.48Å; W1077-R1127 HydrophobicContact CH2-CB 4.05Å; W1077-R1127 HydrophobicContact CH2-CG 3.78Å; W1077-R1127 HydrophobicContact CZ2-CB 4.49Å; W1077-R1127 HydrophobicContact CZ2-CG 3.72Å; W1077-R1127 HydrophobicContact CZ3-CB 3.83Å; W1077-R1127 HydrophobicContact CZ3-CG 3.82Å; W1077-V1130 HydrophobicContact CH2-CB 4.03Å; W1077-V1130 HydrophobicContact CH2-CG1 3.94Å; W1077-V1130 HydrophobicContact CH2-CG2 4.02Å; W1077-V1130 HydrophobicContact CZ3-CG1 4.32Å; W1077-Q1169 HydrophobicContact CZ2-CG 4.04Å; W1077-F1172 HydrophobicContact CH2-CD1 4.42Å
1078P86.4Confident91.1Very high51 Ų5146.7 Ų46.733%0.33125%0.254SS..  trans-64.5159.9-178.125.2-34.8000114.2D1076 H1080 C1082 R1127D1076-P1078 VanDerWaalsContact O-CD 3.27Å; D1076-P1078 WeakPolarHBondContact O-CD 3.36Å; P1078-H1080 WeakPolarHBondContact CG-O 3.32Å; P1078-H1080 PolarHBondContact O-N 3.39Å; P1078-C1082 VanDerWaalsContact CG-O 3.29Å; P1078-C1082 WeakPolarHBondContact CG-O 3.13Å; P1078-R1127 PolarHBondContact O-NH2 3.41Å; P1078-R1127 VanDerWaalsContact O-NH2 3.15Å
1079D74.6Confident91.1Very high83 Ų8343.4 Ų43.444%0.44423%0.234SC..SBendtrans-57.8-27.8175.4-76.6-16.5000112.9E1013 G1014E1013-D1079 WeakPolarHBondContact CA-OD1 3.18Å; E1013-D1079 WeakPolarHBondContact CB-OD1 3.42Å; G1014-D1079 WeakPolarHBondContact CA-OD2 3.5Å; G1014-D1079 PolarHBondContact N-OD1 2.85Å; G1014-D1079 PolarHBondContact N-OD2 3.36Å
1080H72.8Confident91Very high171 Ų17143.5 Ų43.579%0.79223%0.234SC*.SBendtrans-131.6138.7-178.8-61.9-19.6000110.2P1078P1078-H1080 WeakPolarHBondContact CG-O 3.32Å; P1078-H1080 PolarHBondContact O-N 3.39Å
1081G86.1Confident90.9Very high46 Ų4643.6 Ų43.647%0.47424%0.24SC..SBendtrans75.2-135.8178.800000114.6W1077W1077-G1081 PolarHBondContact NE1-O 2.79Å
1082C91.3Very high90.9Very high21 Ų2143.6 Ų43.614%0.14224%0.24CC..  trans-135.6164.3-176-63.40000108.8W1077 P1078 A1168 Q1169 F1172W1077-C1082 HydrophobicContact CZ2-CB 4.25Å; P1078-C1082 VanDerWaalsContact CG-O 3.29Å; P1078-C1082 WeakPolarHBondContact CG-O 3.13Å; C1082-A1168 PolarHBondContact SG-O 3.46Å; C1082-Q1169 PolarHBondContact SG-N 2.86Å; C1082-F1172 HydrophobicContact CB-CB 3.84Å; C1082-F1172 HydrophobicContact CB-CD2 3.72Å; C1082-F1172 HydrophobicContact CB-CE2 4.44Å; C1082-F1172 HydrophobicContact CB-CG 3.79Å
1083P90.3Very high90.8Very high7 Ų743.8 Ų43.85%0.04524%0.241CC..  trans-54.8145174.9-23.633.9000112Y1074 W1077 F1172Y1074-P1083 HydrophobicContact CE1-CG 3.73Å; Y1074-P1083 VanDerWaalsContact OH-CB 3.31Å; Y1074-P1083 WeakPolarHBondContact OH-CB 3.33Å; Y1074-P1083 WeakPolarHBondContact OH-CG 3.44Å; W1077-P1083 HydrophobicContact CD2-CG 4.1Å; W1077-P1083 HydrophobicContact CE3-CG 4.2Å; W1077-P1083 HydrophobicContact CG-CG 4.3Å; P1083-F1172 HydrophobicContact CB-CE2 3.96Å; P1083-F1172 HydrophobicContact CB-CZ 3.92Å; P1083-F1172 HydrophobicContact CG-CE1 4.36Å; P1083-F1172 HydrophobicContact CG-CE2 4.17Å; P1083-F1172 HydrophobicContact CG-CZ 3.78Å; P1083-F1172 VanDerWaalsContact O-CE2 3.26Å; P1083-F1172 WeakPolarHBondContact O-CE2 3.42Å
1084E85.8Confident90.7Very high193 Ų19347.6 Ų47.690%0.90226%0.258SS*.SBendtrans-82.3-35.3168-63.2-172.2169.300110.2V1086E1084-V1086 PolarHBondContact O-N 3Å; E1084-V1086 VanDerWaalsContact O-N 3.14Å
1085D89Confident90.6Very high69 Ų6949.8 Ų49.837%0.36927%0.268SS..  trans-77.495.2170.5-176.915.1000111.8Q1087 G1088D1085-Q1087 VanDerWaalsContact C-N 3.29Å; D1085-Q1087 WeakPolarHBondContact OD1-CA 3.32Å; D1085-Q1087 WeakPolarHBondContact OD1-CB 3.49Å; D1085-Q1087 PolarHBondContact OD1-N 3Å; D1085-G1088 PolarHBondContact OD1-N 2.86Å; D1085-G1088 WeakPolarHBondContact OD2-CA 3.44Å; D1085-G1088 PolarHBondContact OD2-N 3.25Å
1086V94.2Very high90.8Very high18 Ų1847.1 Ų47.111%0.10925%0.252CS..Hα-helixtrans-68.1-30171.4-176.60000111.4E1084 F1089 L1090 F1172 Q1175 V1176 Q1179E1084-V1086 PolarHBondContact O-N 3Å; E1084-V1086 VanDerWaalsContact O-N 3.14Å; V1086-F1089 PolarHBondContact O-N 2.89Å; V1086-L1090 PolarHBondContact O-N 3.16Å; V1086-L1090 VanDerWaalsContact O-N 3.09Å; V1086-F1172 HydrophobicContact CG2-CE2 4.01Å; V1086-Q1175 HydrophobicContact CG2-CB 4.26Å; V1086-V1176 HydrophobicContact CG1-CB 4.38Å; V1086-V1176 HydrophobicContact CG1-CG2 3.9Å; V1086-Q1179 HydrophobicContact CG1-CB 3.7Å; V1086-Q1179 HydrophobicContact CG1-CG 4.07Å
1087Q92.8Very high91Very high67 Ų6745.3 Ų45.331%0.31324%0.241SC..Hα-helixtrans-75.3-42.3-176-175.455.848.500111.6D1085 F1089 L1090 S1091 N1183D1085-Q1087 VanDerWaalsContact C-N 3.29Å; D1085-Q1087 WeakPolarHBondContact OD1-CA 3.32Å; D1085-Q1087 WeakPolarHBondContact OD1-CB 3.49Å; D1085-Q1087 PolarHBondContact OD1-N 3Å; Q1087-F1089 PolarHBondContact O-N 2.91Å; Q1087-L1090 WeakPolarHBondContact O-CA 3.37Å; Q1087-L1090 WeakPolarHBondContact O-CB 3.38Å; Q1087-L1090 PolarHBondContact O-N 2.83Å; Q1087-S1091 PolarHBondContact NE2-OG 3Å; Q1087-S1091 PolarHBondContact O-N 2.75Å; Q1087-N1183 PolarHBondContact OE1-ND2 3.29Å
1088G93Very high91.2Very high5 Ų547.2 Ų47.25%0.05226%0.256CS..Hα-helixtrans-60.5-28171.800000113.4D1085 Y1092D1085-G1088 PolarHBondContact OD1-N 2.86Å; D1085-G1088 WeakPolarHBondContact OD2-CA 3.44Å; D1085-G1088 PolarHBondContact OD2-N 3.25Å; G1088-Y1092 PolarHBondContact O-N 2.85Å
1089F96.1Very high91.5Very high0 Ų045.2 Ų45.20%024%0.243CC..Hα-helixtrans-75.9-35.4170.6-168.5-96.9000112.9V1008 Y1074 W1077 V1086 Q1087 Y1092 L1093 V1130 L1131 F1172 V1176V1008-F1089 HydrophobicContact CG1-CE2 4.31Å; Y1074-F1089 HydrophobicContact CD1-CD2 4.41Å; Y1074-F1089 HydrophobicContact CD2-CD2 4.28Å; Y1074-F1089 HydrophobicContact CE1-CD2 4.04Å; Y1074-F1089 HydrophobicContact CE2-CB 4.23Å; Y1074-F1089 AromaticContact CE2-CD2 3.94Å; Y1074-F1089 HydrophobicContact CE2-CD2 3.94Å; Y1074-F1089 AromaticContact CZ-CD2 3.8Å; W1077-F1089 HydrophobicContact CE3-CE2 4.42Å; W1077-F1089 AromaticContact CZ3-CE2 3.92Å; W1077-F1089 HydrophobicContact CZ3-CE2 3.92Å; W1077-F1089 HydrophobicContact CZ3-CZ 4.48Å; V1086-F1089 PolarHBondContact O-N 2.89Å; Q1087-F1089 PolarHBondContact O-N 2.91Å; F1089-Y1092 HydrophobicContact CE2-CD1 4.41Å; F1089-Y1092 PolarHBondContact O-N 2.89Å; F1089-L1093 HydrophobicContact CD1-CD1 4.18Å; F1089-L1093 HydrophobicContact CD1-CG 4.47Å; F1089-L1093 HydrophobicContact CE1-CD1 3.92Å; F1089-L1093 HydrophobicContact CE1-CD2 4.43Å; F1089-L1093 HydrophobicContact CE1-CG 4.21Å; F1089-L1093 WeakPolarHBondContact O-CG 3.31Å; F1089-L1093 PolarHBondContact O-N 2.98Å; F1089-V1130 HydrophobicContact CE1-CG1 4.18Å; F1089-V1130 HydrophobicContact CZ-CG1 3.96Å; F1089-L1131 HydrophobicContact CZ-CB 4.38Å; F1089-F1172 HydrophobicContact CB-CE1 4.14Å; F1089-F1172 HydrophobicContact CB-CZ 3.82Å; F1089-F1172 AromaticContact CD1-CE1 3.71Å; F1089-F1172 HydrophobicContact CD1-CE1 3.71Å; F1089-F1172 HydrophobicContact CD1-CZ 4.23Å; F1089-F1172 HydrophobicContact CD2-CE1 4.13Å; F1089-F1172 HydrophobicContact CD2-CZ 4.49Å; F1089-F1172 HydrophobicContact CE1-CE1 4.11Å; F1089-F1172 AromaticContact CG-CE1 3.71Å; F1089-F1172 HydrophobicContact CG-CE1 3.71Å; F1089-F1172 AromaticContact CG-CZ 3.93Å; F1089-F1172 HydrophobicContact CG-CZ 3.93Å; F1089-F1172 HydrophobicContact CZ-CE1 4.5Å; F1089-V1176 HydrophobicContact CD1-CG1 4.39Å; F1089-V1176 HydrophobicContact CD1-CG2 3.73Å; F1089-V1176 HydrophobicContact CE1-CG2 4.31Å
1090L96.1Very high92.3Very high2 Ų242.8 Ų42.81%0.0123%0.228CC..Hα-helixtrans-62-48.1171.1-77.7168.6000111.1V1086 Q1087 Y1092 L1093 E1094 I1138 V1176 Q1179 F1180V1086-L1090 PolarHBondContact O-N 3.16Å; V1086-L1090 VanDerWaalsContact O-N 3.09Å; Q1087-L1090 WeakPolarHBondContact O-CA 3.37Å; Q1087-L1090 WeakPolarHBondContact O-CB 3.38Å; Q1087-L1090 PolarHBondContact O-N 2.83Å; L1090-Y1092 VanDerWaalsContact C-N 3.25Å; L1090-Y1092 PolarHBondContact O-N 2.86Å; L1090-L1093 CarbonylContact O-C 3.56Å; L1090-L1093 WeakPolarHBondContact O-CA 2.98Å; L1090-L1093 WeakPolarHBondContact O-CB 3.46Å; L1090-L1093 PolarHBondContact O-N 2.86Å; L1090-E1094 WeakPolarHBondContact O-CG 3.32Å; L1090-E1094 PolarHBondContact O-N 3.18Å; L1090-I1138 HydrophobicContact CD2-CD1 3.81Å; L1090-V1176 HydrophobicContact CD2-CG1 3.68Å; L1090-V1176 HydrophobicContact CG-CG1 4.25Å; L1090-Q1179 HydrophobicContact CD1-CB 4.02Å; L1090-Q1179 HydrophobicContact CD1-CG 3.72Å; L1090-F1180 HydrophobicContact CD2-CB 4.08Å; L1090-F1180 HydrophobicContact CD2-CD2 4.28Å
1091S95.3Very high93.1Very high32 Ų3242.4 Ų42.422%0.22422%0.22CC..Hα-helixtrans-68.5-22.6179.4-60.80000114.2Q1087 E1094 E1095Q1087-S1091 PolarHBondContact NE2-OG 3Å; Q1087-S1091 PolarHBondContact O-N 2.75Å; S1091-E1094 WeakPolarHBondContact CA-OE2 3.43Å; S1091-E1094 WeakPolarHBondContact CB-OE2 3.32Å; S1091-E1094 PolarHBondContact OG-OE2 2.76Å; S1091-E1095 WeakPolarHBondContact O-CB 3.49Å; S1091-E1095 PolarHBondContact O-N 3.46Å
1092Y97.5Very high93.2Very high0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-69.6-33.2165.9178.5-115.7000113.4M1007 V1008 Y1051 L1072 Y1074 G1088 F1089 L1090 I1096 L1131M1007-Y1092 PolarHBondContact N-OH 2.78Å; M1007-Y1092 PolarHBondContact O-OH 2.9Å; V1008-Y1092 HydrophobicContact CG2-CE1 4.47Å; Y1051-Y1092 VanDerWaalsContact CB-CD2 3.41Å; Y1051-Y1092 HydrophobicContact CD1-CD2 4.14Å; Y1051-Y1092 HydrophobicContact CD1-CG 4.45Å; Y1051-Y1092 HydrophobicContact CD2-CD2 4.09Å; Y1051-Y1092 AromaticContact CG-CD2 3.63Å; Y1051-Y1092 HydrophobicContact CG-CD2 3.63Å; Y1051-Y1092 HydrophobicContact CG-CG 4.35Å; L1072-Y1092 HydrophobicContact CB-CE2 3.91Å; L1072-Y1092 PolarHBondContact O-OH 2.8Å; L1072-Y1092 VanDerWaalsContact O-OH 3.05Å; Y1074-Y1092 AromaticContact CD2-CD1 3.82Å; Y1074-Y1092 HydrophobicContact CD2-CD1 3.82Å; Y1074-Y1092 HydrophobicContact CD2-CD2 4.27Å; Y1074-Y1092 HydrophobicContact CD2-CE1 4.46Å; Y1074-Y1092 AromaticContact CD2-CG 3.69Å; Y1074-Y1092 HydrophobicContact CD2-CG 3.69Å; Y1074-Y1092 HydrophobicContact CG-CD1 4.08Å; Y1074-Y1092 HydrophobicContact CG-CE1 4.3Å; Y1074-Y1092 HydrophobicContact CG-CG 4.31Å; G1088-Y1092 PolarHBondContact O-N 2.85Å; F1089-Y1092 HydrophobicContact CE2-CD1 4.41Å; F1089-Y1092 PolarHBondContact O-N 2.89Å; L1090-Y1092 VanDerWaalsContact C-N 3.25Å; L1090-Y1092 PolarHBondContact O-N 2.86Å; Y1092-I1096 HydrophobicContact CD1-CD1 4Å; Y1092-I1096 HydrophobicContact CE1-CD1 3.6Å; Y1092-I1096 HydrophobicContact CE2-CD1 4.19Å; Y1092-I1096 HydrophobicContact CG-CD1 4.45Å; Y1092-I1096 WeakPolarHBondContact O-CD1 3.34Å; Y1092-I1096 VanDerWaalsContact O-CG1 3.3Å; Y1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; Y1092-I1096 PolarHBondContact O-N 2.87Å; Y1092-I1096 VanDerWaalsContact O-N 3.14Å; Y1092-L1131 HydrophobicContact CD1-CD1 4.45Å; Y1092-L1131 HydrophobicContact CE1-CD1 3.65Å
1093L97.1Very high93.1Very high4 Ų444.4 Ų44.42%0.02122%0.215CC..Hα-helixtrans-71.1-40.4171.3-64.4173.3000111.2F1089 L1090 I1096 Q1097 L1131 E1135 I1138 V1176F1089-L1093 HydrophobicContact CD1-CD1 4.18Å; F1089-L1093 HydrophobicContact CD1-CG 4.47Å; F1089-L1093 HydrophobicContact CE1-CD1 3.92Å; F1089-L1093 HydrophobicContact CE1-CD2 4.43Å; F1089-L1093 HydrophobicContact CE1-CG 4.21Å; F1089-L1093 WeakPolarHBondContact O-CG 3.31Å; F1089-L1093 PolarHBondContact O-N 2.98Å; L1090-L1093 CarbonylContact O-C 3.56Å; L1090-L1093 WeakPolarHBondContact O-CA 2.98Å; L1090-L1093 WeakPolarHBondContact O-CB 3.46Å; L1090-L1093 PolarHBondContact O-N 2.86Å; L1093-I1096 PolarHBondContact O-N 2.98Å; L1093-Q1097 WeakPolarHBondContact O-CG 3.46Å; L1093-Q1097 PolarHBondContact O-N 2.84Å; L1093-L1131 HydrophobicContact CD2-CD2 4.25Å; L1093-L1131 HydrophobicContact CD2-CG 3.85Å; L1093-E1135 HydrophobicContact CD2-CB 4.35Å; L1093-I1138 HydrophobicContact CD1-CD1 3.76Å; L1093-V1176 HydrophobicContact CD1-CG1 4.36Å
1094E95.1Very high92.7Very high91 Ų9145.1 Ų45.143%0.42522%0.219SC..Hα-helixtrans-58.8-46.1174.6-66.3153.9-163.900111.1L1090 S1091 I1096 Q1097 S1098L1090-E1094 WeakPolarHBondContact O-CG 3.32Å; L1090-E1094 PolarHBondContact O-N 3.18Å; S1091-E1094 WeakPolarHBondContact CA-OE2 3.43Å; S1091-E1094 WeakPolarHBondContact CB-OE2 3.32Å; S1091-E1094 PolarHBondContact OG-OE2 2.76Å; E1094-I1096 PolarHBondContact O-N 2.81Å; E1094-Q1097 PolarHBondContact O-N 2.86Å; E1094-S1098 WeakPolarHBondContact O-CB 3.48Å; E1094-S1098 PolarHBondContact O-N 2.88Å
1095E96.6Very high92.5Very high47 Ų4738.4 Ų38.422%0.2219%0.193CC..Hα-helixtrans-58.6-45.6172.7-178.289.5-169.400112.1Y1051 T1053 L1072 S1091 Q1097 S1098 V1099Y1051-E1095 HydrophobicContact CD2-CG 4.24Å; Y1051-E1095 HydrophobicContact CE2-CB 3.8Å; Y1051-E1095 VanDerWaalsContact CE2-CD 3.47Å; Y1051-E1095 HydrophobicContact CE2-CG 3.53Å; Y1051-E1095 VanDerWaalsContact CE2-OE2 3.26Å; Y1051-E1095 WeakPolarHBondContact CE2-OE2 3.36Å; Y1051-E1095 PolarHBondContact OH-OE2 3.17Å; T1053-E1095 VanDerWaalsContact CB-OE1 3.27Å; T1053-E1095 WeakPolarHBondContact CB-OE1 3.41Å; T1053-E1095 WeakPolarHBondContact CG2-OE1 3.47Å; T1053-E1095 VanDerWaalsContact OG1-CD 3.26Å; T1053-E1095 WeakPolarHBondContact OG1-CG 3.36Å; T1053-E1095 PolarHBondContact OG1-OE1 2.87Å; L1072-E1095 HydrophobicContact CD2-CB 4.38Å; L1072-E1095 HydrophobicContact CD2-CG 3.62Å; L1072-E1095 HydrophobicContact CG-CG 4.31Å; S1091-E1095 WeakPolarHBondContact O-CB 3.49Å; S1091-E1095 PolarHBondContact O-N 3.46Å; E1095-Q1097 VanDerWaalsContact C-N 3.33Å; E1095-Q1097 PolarHBondContact O-N 3.04Å; E1095-S1098 PolarHBondContact O-N 2.85Å; E1095-V1099 WeakPolarHBondContact O-CG2 3.33Å; E1095-V1099 PolarHBondContact O-N 3.17Å
1096I96.6Very high91.5Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-60.4-42.9176.8-76166.2000111.2A1006 L1072 Y1092 L1093 E1094 R1100 I1117 L1131A1006-I1096 HydrophobicContact CB-CD1 3.77Å; A1006-I1096 HydrophobicContact CB-CG1 4.37Å; L1072-I1096 HydrophobicContact CD2-CB 4.29Å; L1072-I1096 HydrophobicContact CD2-CG1 3.57Å; Y1092-I1096 HydrophobicContact CD1-CD1 4Å; Y1092-I1096 HydrophobicContact CE1-CD1 3.6Å; Y1092-I1096 HydrophobicContact CE2-CD1 4.19Å; Y1092-I1096 HydrophobicContact CG-CD1 4.45Å; Y1092-I1096 WeakPolarHBondContact O-CD1 3.34Å; Y1092-I1096 VanDerWaalsContact O-CG1 3.3Å; Y1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; Y1092-I1096 PolarHBondContact O-N 2.87Å; Y1092-I1096 VanDerWaalsContact O-N 3.14Å; L1093-I1096 PolarHBondContact O-N 2.98Å; E1094-I1096 PolarHBondContact O-N 2.81Å; I1096-R1100 VanDerWaalsContact CG2-NH2 3.27Å; I1096-R1100 WeakPolarHBondContact O-CB 3.31Å; I1096-R1100 PolarHBondContact O-N 2.94Å; I1096-I1117 HydrophobicContact CG2-CD1 4.09Å; I1096-L1131 HydrophobicContact CD1-CD1 3.75Å; I1096-L1131 HydrophobicContact CD1-CD2 4.36Å; I1096-L1131 HydrophobicContact CD1-CG 4.39Å
1097Q93.8Very high90.2Very high32 Ų3243.7 Ų43.715%0.1522%0.217CC..Hα-helixtrans-65.5-46.3176-71.7-167.512.900111.5L1093 E1094 E1095 R1100 R1101L1093-Q1097 WeakPolarHBondContact O-CG 3.46Å; L1093-Q1097 PolarHBondContact O-N 2.84Å; E1094-Q1097 PolarHBondContact O-N 2.86Å; E1095-Q1097 VanDerWaalsContact C-N 3.33Å; E1095-Q1097 PolarHBondContact O-N 3.04Å; Q1097-R1100 PolarHBondContact O-N 3.04Å; Q1097-R1101 WeakPolarHBondContact O-CG 3.39Å; Q1097-R1101 PolarHBondContact O-N 2.91Å
1098S93.9Very high88.2Confident52 Ų5247.4 Ų47.436%0.36424%0.235SC..Hα-helixtrans-58.3-52.3179.7176.30000111.5E1094 E1095 R1100 R1101 H1102E1094-S1098 WeakPolarHBondContact O-CB 3.48Å; E1094-S1098 PolarHBondContact O-N 2.88Å; E1095-S1098 PolarHBondContact O-N 2.85Å; S1098-R1100 VanDerWaalsContact C-N 3.29Å; S1098-R1100 PolarHBondContact O-N 3.05Å; S1098-R1101 PolarHBondContact O-N 2.82Å; S1098-H1102 WeakPolarHBondContact O-CB 3.12Å; S1098-H1102 PolarHBondContact O-N 3.11Å
1099V94.1Very high86.2Confident9 Ų951.3 Ų51.36%0.05528%0.275CS..Hα-helixtrans-64.2-33.6178.2177.40000111.7V1004 W1070 L1072 E1095 T1103V1004-V1099 HydrophobicContact CG1-CG1 4.36Å; V1004-V1099 HydrophobicContact CG2-CG1 3.97Å; W1070-V1099 HydrophobicContact CB-CG1 3.54Å; W1070-V1099 HydrophobicContact CD2-CG1 3.74Å; W1070-V1099 HydrophobicContact CE3-CG1 4.15Å; W1070-V1099 HydrophobicContact CE3-CG2 4.29Å; W1070-V1099 HydrophobicContact CG-CG1 3.46Å; W1070-V1099 VanDerWaalsContact CG-CG1 3.46Å; L1072-V1099 HydrophobicContact CD1-CG1 4.28Å; L1072-V1099 HydrophobicContact CD2-CB 4.39Å; L1072-V1099 HydrophobicContact CD2-CG2 4.23Å; E1095-V1099 WeakPolarHBondContact O-CG2 3.33Å; E1095-V1099 PolarHBondContact O-N 3.17Å; V1099-T1103 HydrophobicContact CG1-CG2 4.33Å; V1099-T1103 WeakPolarHBondContact O-CB 3.44Å; V1099-T1103 WeakPolarHBondContact O-CG2 3.44Å; V1099-T1103 PolarHBondContact O-N 3.43Å; V1099-T1103 PolarHBondContact O-OG1 2.97Å
1100R91.8Very high84.1Confident32 Ų3255 Ų5512%0.12130%0.298CS..Hα-helixtrans-66.6-44.6173.1-169.3-174.2-47.9-169.55.9112.1W977 I1096 Q1097 S1098 T1103 N1104 I1117 E1135W977-R1100 VanDerWaalsContact CE3-NH1 3.28Å; I1096-R1100 VanDerWaalsContact CG2-NH2 3.27Å; I1096-R1100 WeakPolarHBondContact O-CB 3.31Å; I1096-R1100 PolarHBondContact O-N 2.94Å; Q1097-R1100 PolarHBondContact O-N 3.04Å; S1098-R1100 VanDerWaalsContact C-N 3.29Å; S1098-R1100 PolarHBondContact O-N 3.05Å; R1100-T1103 PolarHBondContact O-N 2.97Å; R1100-T1103 PolarHBondContact O-OG1 3.27Å; R1100-N1104 VanDerWaalsContact O-CB 3.26Å; R1100-N1104 WeakPolarHBondContact O-CB 3.37Å; R1100-N1104 VanDerWaalsContact O-CG 3.32Å; R1100-N1104 PolarHBondContact O-N 3.14Å; R1100-N1104 PolarHBondContact O-ND2 3.44Å; R1100-I1117 HydrophobicContact CG-CG2 4.25Å; R1100-E1135 IonicContact CZ-OE1 2.99Å; R1100-E1135 IonicContact CZ-OE2 3.54Å; R1100-E1135 IonicContact NH1-OE1 2.86Å; R1100-E1135 IonicContact NH1-OE2 3.06Å; R1100-E1135 PolarHBondContact NH1-OE2 2.87Å; R1100-E1135 IonicContact NH2-OE1 3.19Å; R1100-E1135 PolarHBondContact NH2-OE1 2.64Å; R1100-E1135 IonicContact NH2-OE2 3.94Å; R1100-E1135 PolarHBondContact NH2-OE2 3.11Å
1101R89Confident81.9Confident164 Ų16465.6 Ų65.662%0.61934%0.344SS*.Hα-helixtrans-59.6-50.6174.6-69.4178.3-133.81690110.5Q1097 S1098 T1103 N1104 S1105Q1097-R1101 WeakPolarHBondContact O-CG 3.39Å; Q1097-R1101 PolarHBondContact O-N 2.91Å; S1098-R1101 PolarHBondContact O-N 2.82Å; R1101-T1103 PolarHBondContact O-N 2.89Å; R1101-N1104 PolarHBondContact O-N 3.18Å; R1101-S1105 PolarHBondContact O-N 2.95Å; R1101-S1105 PolarHBondContact O-OG 3.36Å
1102H88.2Confident80.1Confident96 Ų9669.7 Ų69.744%0.44436%0.363SS..Hα-helixtrans-60.1-41.4178.6178.183.4000113.5S1098 S1105S1098-H1102 WeakPolarHBondContact O-CB 3.12Å; S1098-H1102 PolarHBondContact O-N 3.11Å; H1102-S1105 PolarHBondContact O-OG 3Å
1103T88.4Confident78.8Confident13 Ų1378.2 Ų78.28%0.0840%0.396CS..Hα-helixtrans-78.1-19.4178.752.60000113.9N1003 V1004 V1099 R1100 R1101N1003-T1103 HydrophobicContact CB-CG2 4.09Å; V1004-T1103 HydrophobicContact CG2-CG2 4.38Å; V1099-T1103 HydrophobicContact CG1-CG2 4.33Å; V1099-T1103 WeakPolarHBondContact O-CB 3.44Å; V1099-T1103 WeakPolarHBondContact O-CG2 3.44Å; V1099-T1103 PolarHBondContact O-N 3.43Å; V1099-T1103 PolarHBondContact O-OG1 2.97Å; R1100-T1103 PolarHBondContact O-N 2.97Å; R1100-T1103 PolarHBondContact O-OG1 3.27Å; R1101-T1103 PolarHBondContact O-N 2.89Å
1104N83.6Confident78.1Confident22 Ų2283.1 Ų83.112%0.11842%0.418CS..Hα-helixtrans-85.8-36.3174.6-81.1-22.6000113.3R1100 R1101 M1106 L1107 E1108 H1114R1100-N1104 VanDerWaalsContact O-CB 3.26Å; R1100-N1104 WeakPolarHBondContact O-CB 3.37Å; R1100-N1104 VanDerWaalsContact O-CG 3.32Å; R1100-N1104 PolarHBondContact O-N 3.14Å; R1100-N1104 PolarHBondContact O-ND2 3.44Å; R1101-N1104 PolarHBondContact O-N 3.18Å; N1104-M1106 PolarHBondContact O-N 3.02Å; N1104-L1107 WeakPolarHBondContact O-CA 3.42Å; N1104-L1107 WeakPolarHBondContact O-CB 3.37Å; N1104-L1107 PolarHBondContact O-N 3.23Å; N1104-E1108 PolarHBondContact O-N 2.7Å; N1104-H1114 VanDerWaalsContact CG-ND1 3.26Å; N1104-H1114 PolarHBondContact ND2-ND1 3.23Å; N1104-H1114 PolarHBondContact OD1-ND1 3.43Å
1105S79.6Confident78Confident51 Ų5180.1 Ų80.136%0.35741%0.407SS..Hα-helixtrans-64-24.9178.661.90000112.9R1101 H1102 L1107 E1108R1101-S1105 PolarHBondContact O-N 2.95Å; R1101-S1105 PolarHBondContact O-OG 3.36Å; H1102-S1105 PolarHBondContact O-OG 3Å; S1105-L1107 PolarHBondContact O-N 3.39Å; S1105-E1108 PolarHBondContact O-N 3.08Å
1106M68.1Low78Confident129 Ų12978.2 Ų78.264%0.63540%0.398SS*.THydrogen-bonded Turntrans-70-2.2169.8-61.3-66.5140.700114.4N1104N1104-M1106 PolarHBondContact O-N 3.02Å
1107L67.4Low78Confident69 Ų6978.5 Ų78.536%0.36140%0.4SS..THydrogen-bonded Turntrans-115.4-9.4177.7-56.9174000113N1104 S1105 G1109 T1110 P1115N1104-L1107 WeakPolarHBondContact O-CA 3.42Å; N1104-L1107 WeakPolarHBondContact O-CB 3.37Å; N1104-L1107 PolarHBondContact O-N 3.23Å; S1105-L1107 PolarHBondContact O-N 3.39Å; L1107-G1109 PolarHBondContact O-N 3.08Å; L1107-T1110 PolarHBondContact O-N 3.46Å; L1107-T1110 PolarHBondContact O-OG1 2.84Å; L1107-P1115 HydrophobicContact CD1-CG 4.15Å
1108E52.1Low78.2Confident146 Ų14677 Ų7768%0.68239%0.393SS*.THydrogen-bonded Turntrans-64.5127.8179.5-72.9173.3-163.700110.6N1104 S1105N1104-E1108 PolarHBondContact O-N 2.7Å; S1105-E1108 PolarHBondContact O-N 3.08Å
1109G49.3Very low78.5Confident87 Ų8774.5 Ų74.590%0.89738%0.375SS*.THydrogen-bonded Turntrans115-12.9-168.400000114L1107L1107-G1109 PolarHBondContact O-N 3.08Å
1110T52.5Low78.7Confident78 Ų7874.1 Ų74.148%0.47937%0.373SS..SBendtrans-108.5146.6168.763.70000111.6L1107 N1112L1107-T1110 PolarHBondContact O-N 3.46Å; L1107-T1110 PolarHBondContact O-OG1 2.84Å; T1110-N1112 VanDerWaalsContact CB-ND2 3.32Å; T1110-N1112 WeakPolarHBondContact CB-ND2 3.43Å; T1110-N1112 PolarHBondContact O-N 2.85Å; T1110-N1112 PolarHBondContact OG1-ND2 3.19Å
1111K50.3Low78.9Confident223 Ų22372.9 Ų72.997%0.9737%0.369SS*.  trans-75.828.3175-66.9-172176.7-1770113.2
1112N57.4Low79.2Confident118 Ų11866.3 Ų66.363%0.63135%0.348SS*.PPolyproline II helixtrans-87142.7-175.7-67.1-32.3000110.1T1110T1110-N1112 VanDerWaalsContact CB-ND2 3.32Å; T1110-N1112 WeakPolarHBondContact CB-ND2 3.43Å; T1110-N1112 PolarHBondContact O-N 2.85Å; T1110-N1112 PolarHBondContact OG1-ND2 3.19Å
1113R69.6Low79.6Confident180 Ų18062.1 Ų62.168%0.67933%0.33SS*.PPolyproline II helixtrans-66.7146.4169.2-62.1-168.3-171.1-145.74.8109.5E976E976-R1113 VanDerWaalsContact CD-NH1 3.3Å; E976-R1113 IonicContact OE1-NH1 3.31Å; E976-R1113 PolarHBondContact OE1-NH1 3.19Å; E976-R1113 VanDerWaalsContact OE1-NH1 3.09Å; E976-R1113 IonicContact OE2-CZ 2.71Å; E976-R1113 IonicContact OE2-NH1 3.83Å; E976-R1113 PolarHBondContact OE2-NH1 2.89Å
1114H83.3Confident80Confident107 Ų10761.5 Ų61.550%0.49533%0.326SS..PPolyproline II helixtrans-57.4136.1172.3-60.2-70.7000110.4N1104N1104-H1114 VanDerWaalsContact CG-ND1 3.26Å; N1104-H1114 PolarHBondContact ND2-ND1 3.23Å; N1104-H1114 PolarHBondContact OD1-ND1 3.43Å
1115P91.8Very high80.7Confident28 Ų2860.4 Ų60.418%0.18232%0.321CS..PPolyproline II helixtrans-69.2149.4178.329.1-34.4000111G1001 L1107G1001-P1115 VanDerWaalsContact O-CB 3.26Å; G1001-P1115 WeakPolarHBondContact O-CB 3.39Å; L1107-P1115 HydrophobicContact CD1-CG 4.15Å
1116P96.4Very high81.5Confident7 Ų758.3 Ų58.35%0.04531%0.307CS..PPolyproline II helixtrans-62.6147.5174.424.6-33000111.9H978 I980 Q1000 V1002H978-P1116 HydrophobicContact CB-CB 4.4Å; H978-P1116 WeakPolarHBondContact O-CA 3.26Å; I980-P1116 HydrophobicContact CD1-CB 4.07Å; I980-P1116 HydrophobicContact CD1-CG 3.66Å; I980-P1116 HydrophobicContact CG1-CB 3.98Å; I980-P1116 HydrophobicContact CG1-CG 4.1Å; Q1000-P1116 HydrophobicContact CB-CG 4.32Å; Q1000-P1116 WeakPolarHBondContact O-CD 3.49Å; V1002-P1116 HydrophobicContact CG2-CG 4.31Å
1117I97.8Very high82.9Confident6 Ų653.2 Ų53.23%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-86.1145160.575.7147.1000109.9H978 Y979 I980 V1004 I1096 R1100 V1119H978-I1117 PolarHBondContact O-N 3.04Å; Y979-I1117 CarbonylContact C-O 3.55Å; Y979-I1117 WeakPolarHBondContact CA-O 3.42Å; Y979-I1117 HydrophobicContact CD1-CD1 4.05Å; Y979-I1117 HydrophobicContact CD1-CG1 3.63Å; Y979-I1117 HydrophobicContact CE1-CD1 4.27Å; Y979-I1117 HydrophobicContact CE1-CG1 4.19Å; I980-I1117 PolarHBondContact N-O 3.14Å; V1004-I1117 HydrophobicContact CB-CB 4.21Å; V1004-I1117 HydrophobicContact CB-CG2 3.85Å; V1004-I1117 HydrophobicContact CG1-CG2 4.43Å; V1004-I1117 HydrophobicContact CG2-CG2 4.37Å; I1096-I1117 HydrophobicContact CG2-CD1 4.09Å; R1100-I1117 HydrophobicContact CG-CG2 4.25Å; I1117-V1119 HydrophobicContact CD1-CG2 3.65Å; I1117-V1119 HydrophobicContact CG1-CG2 4.03Å
1118V98.8Very high84.4Confident0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-89.6129.3172.6171.10000108.9I980 T982 F993 M996 V997 V1002 V1004 I1005 A1006I980-V1118 HydrophobicContact CB-CG2 4.01Å; I980-V1118 HydrophobicContact CD1-CG2 4.38Å; I980-V1118 HydrophobicContact CG2-CG2 4.19Å; I980-V1118 WeakPolarHBondContact O-CA 3.15Å; T982-V1118 HydrophobicContact CG2-CG1 3.59Å; F993-V1118 HydrophobicContact CE2-CG1 3.95Å; F993-V1118 HydrophobicContact CZ-CG1 4.08Å; M996-V1118 HydrophobicContact CE-CG1 4.04Å; M996-V1118 HydrophobicContact CE-CG2 3.65Å; V997-V1118 HydrophobicContact CG2-CG2 4.3Å; V1002-V1118 HydrophobicContact CB-CG2 4.35Å; V1002-V1118 HydrophobicContact CG1-CB 4.33Å; V1002-V1118 HydrophobicContact CG1-CG2 3.74Å; V1002-V1118 HydrophobicContact CG2-CG2 3.75Å; V1004-V1118 PolarHBondContact O-N 2.78Å; I1005-V1118 CarbonylContact C-O 3.58Å; I1005-V1118 WeakPolarHBondContact CA-O 3.41Å; I1005-V1118 HydrophobicContact CG1-CB 4.26Å; I1005-V1118 HydrophobicContact CG2-CB 4.31Å; I1005-V1118 HydrophobicContact CG2-CG1 4.15Å; A1006-V1118 PolarHBondContact N-O 2.8Å
1119V98.8Very high86.6Confident0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-122.3122.6174.9-170.50000109.3Y979 I980 A981 T982 A1006 V1008 I1117 T1128 L1131 I1132Y979-V1119 HydrophobicContact CD1-CG2 3.86Å; I980-V1119 PolarHBondContact O-N 3.05Å; A981-V1119 WeakPolarHBondContact CA-O 3.44Å; T982-V1119 PolarHBondContact N-O 2.94Å; T982-V1119 VanDerWaalsContact N-O 3.09Å; A1006-V1119 HydrophobicContact CB-CG1 4.37Å; A1006-V1119 HydrophobicContact CB-CG2 4.37Å; A1006-V1119 WeakPolarHBondContact O-CA 3.48Å; V1008-V1119 HydrophobicContact CG2-CG1 4.27Å; I1117-V1119 HydrophobicContact CD1-CG2 3.65Å; I1117-V1119 HydrophobicContact CG1-CG2 4.03Å; V1119-T1128 HydrophobicContact CB-CG2 4.08Å; V1119-T1128 HydrophobicContact CG1-CG2 3.83Å; V1119-L1131 HydrophobicContact CG1-CB 4.34Å; V1119-L1131 HydrophobicContact CG1-CD1 4.02Å; V1119-L1131 HydrophobicContact CG1-CD2 4.07Å; V1119-L1131 HydrophobicContact CG1-CG 4.38Å; V1119-L1131 HydrophobicContact CG2-CD2 4.24Å; V1119-I1132 HydrophobicContact CB-CD1 4.1Å; V1119-I1132 HydrophobicContact CB-CG1 4.36Å; V1119-I1132 HydrophobicContact CG1-CD1 4.47Å; V1119-I1132 HydrophobicContact CG1-CG1 4.37Å; V1119-I1132 HydrophobicContact CG2-CD1 4.11Å; V1119-I1132 HydrophobicContact CG2-CG1 4.09Å
1120H98.7Very high88.9Confident0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-137157.8178.987.889.2000113.1T982 G984 A1006 M1007 V1008 Y1022T982-H1120 HydrophobicContact CG2-CB 3.73Å; T982-H1120 VanDerWaalsContact O-CA 3.31Å; T982-H1120 WeakPolarHBondContact O-CA 3.27Å; T982-H1120 WeakPolarHBondContact O-CB 3.46Å; G984-H1120 WeakPolarHBondContact CA-ND1 3.4Å; A1006-H1120 PolarHBondContact O-N 2.87Å; M1007-H1120 WeakPolarHBondContact CB-NE2 3.42Å; M1007-H1120 VanDerWaalsContact CG-CE1 3.4Å; M1007-H1120 WeakPolarHBondContact CG-CE1 3.27Å; M1007-H1120 WeakPolarHBondContact CG-NE2 3.49Å; V1008-H1120 PolarHBondContact N-O 3.48Å; Y1022-H1120 AromaticContact CE1-CE1 3.82Å; Y1022-H1120 AromaticContact CE1-NE2 3.42Å; Y1022-H1120 WeakPolarHBondContact CE1-NE2 3.03Å; Y1022-H1120 AromaticContact CZ-NE2 3.52Å; Y1022-H1120 PolarHBondContact OH-CD2 3.25Å; Y1022-H1120 PolarHBondContact OH-NE2 3.38Å
1121C96.1Very high91.1Very high6 Ų635.1 Ų35.14%0.04117%0.166CC..SBendtrans-134.1-123.6165.663.20000107.3G984 V1008 R1127 T1128G984-C1121 WeakPolarHBondContact CA-O 3.34Å; G984-C1121 PolarHBondContact N-O 2.91Å; V1008-C1121 HydrophobicContact CB-CB 4.38Å; C1121-R1127 HydrophobicContact CB-CB 3.87Å; C1121-T1128 PolarHBondContact N-OG1 3.48Å; C1121-T1128 PolarHBondContact SG-OG1 3.48Å; C1121-T1128 VanDerWaalsContact SG-OG1 3.42Å
1122S96.1Very high93.4Very high26 Ų2624.5 Ų24.518%0.18212%0.119CC..SBendtrans-84.5-64.1168.4-165.10000112.4R938 Q983 G984 K1018R938-S1122 WeakPolarHBondContact CD-O 3.47Å; R938-S1122 WeakPolarHBondContact CD-OG 3.3Å; Q983-S1122 CarbonylContact C-O 3.59Å; Q983-S1122 WeakPolarHBondContact CA-O 3.26Å; Q983-S1122 WeakPolarHBondContact CB-O 3.37Å; G984-S1122 PolarHBondContact N-O 2.88Å; K1018-S1122 WeakPolarHBondContact O-CA 3.35Å; K1018-S1122 WeakPolarHBondContact O-CB 3.21Å; K1018-S1122 PolarHBondContact O-OG 2.94Å
1123A95.1Very high95.4Very high8 Ų818.9 Ų18.97%0.0669%0.089CC..SBendtrans-94.9-0.117900000114.6I939 V942 V1125 R1160I939-A1123 HydrophobicContact CB-CB 4.5Å; I939-A1123 HydrophobicContact CD1-CB 3.75Å; I939-A1123 HydrophobicContact CG1-CB 4.16Å; V942-A1123 HydrophobicContact CG1-CB 4.32Å; A1123-V1125 HydrophobicContact CB-CG2 4.16Å; A1123-V1125 PolarHBondContact O-N 3.07Å; A1123-R1160 PolarHBondContact O-NH2 3.31Å; A1123-R1160 VanDerWaalsContact O-NH2 3.09Å
1124G97.2Very high96.8Very high0 Ų010.3 Ų10.30%06%0.057CC..SBendtrans72.425.1178.900000115.2T982 T1128 R1160T982-G1124 WeakPolarHBondContact O-CA 3.2Å; G1124-T1128 WeakPolarHBondContact CA-OG1 3.35Å; G1124-T1128 WeakPolarHBondContact O-CG2 3.26Å; G1124-R1160 PolarHBondContact O-NE 2.99Å
1125V97.9Very high97.4Very high0 Ų05.2 Ų5.20%03%0.033CC..SBendtrans-138.5-42.6-175.2-61.10000114.7V942 A1123 G1129 R1160 M1161 F1162 M1163 I1164 Q1165V942-V1125 HydrophobicContact CG1-CB 4.38Å; V942-V1125 HydrophobicContact CG1-CG1 3.49Å; V942-V1125 VanDerWaalsContact CG1-CG1 3.49Å; V942-V1125 HydrophobicContact CG1-CG2 3.93Å; V942-V1125 HydrophobicContact CG2-CG2 4.47Å; A1123-V1125 HydrophobicContact CB-CG2 4.16Å; A1123-V1125 PolarHBondContact O-N 3.07Å; V1125-G1129 WeakPolarHBondContact O-CA 3.48Å; V1125-G1129 PolarHBondContact O-N 3.31Å; V1125-R1160 HydrophobicContact CG1-CG 3.96Å; V1125-M1161 WeakPolarHBondContact CG1-O 3.17Å; V1125-F1162 HydrophobicContact CB-CB 4.49Å; V1125-F1162 WeakPolarHBondContact CB-O 3.24Å; V1125-F1162 HydrophobicContact CG2-CB 4.21Å; V1125-M1163 HydrophobicContact CB-SD 4.33Å; V1125-M1163 HydrophobicContact CG1-SD 4.41Å; V1125-M1163 CarbonylContact O-C 3Å; V1125-M1163 WeakPolarHBondContact O-CA 3.46Å; V1125-I1164 PolarHBondContact O-N 2.98Å; V1125-Q1165 HydrophobicContact CG2-CG 4.05Å
1126G96.5Very high97.7Very high7 Ų73.9 Ų3.97%0.0723%0.025CC..Hα-helixtrans-68.5-84.2-178.400000112.3T1128 G1129 V1130G1126-T1128 VanDerWaalsContact C-N 3.3Å; G1126-T1128 PolarHBondContact O-N 2.75Å; G1126-G1129 PolarHBondContact O-N 2.84Å; G1126-V1130 PolarHBondContact O-N 3.47Å; G1126-V1130 VanDerWaalsContact O-N 3.09Å
1127R97.8Very high97.6Very high22 Ų223.8 Ų3.88%0.0832%0.024CC..Hα-helixtrans-63.2-32.7177.2-54179.6176.6147.8-6.4113.5V1008 T1009 E1013 W1077 P1078 C1121 G1129 V1130 L1131V1008-R1127 HydrophobicContact CB-CB 3.98Å; V1008-R1127 HydrophobicContact CG1-CB 3.8Å; V1008-R1127 WeakPolarHBondContact O-CD 3.34Å; T1009-R1127 PolarHBondContact OG1-NH1 3.1Å; T1009-R1127 VanDerWaalsContact OG1-NH1 3.09Å; E1013-R1127 IonicContact OE1-CZ 2.61Å; E1013-R1127 IonicContact OE1-NH1 3.18Å; E1013-R1127 PolarHBondContact OE1-NH1 3.18Å; E1013-R1127 IonicContact OE1-NH2 3.52Å; E1013-R1127 IonicContact OE2-CZ 2.76Å; E1013-R1127 IonicContact OE2-NH1 2.71Å; E1013-R1127 PolarHBondContact OE2-NH1 3.2Å; E1013-R1127 IonicContact OE2-NH2 3.19Å; E1013-R1127 PolarHBondContact OE2-NH2 3.05Å; W1077-R1127 VanDerWaalsContact CD1-CZ 3.44Å; W1077-R1127 HydrophobicContact CD2-CG 3.74Å; W1077-R1127 HydrophobicContact CE3-CB 4.09Å; W1077-R1127 HydrophobicContact CE3-CG 3.82Å; W1077-R1127 HydrophobicContact CG-CG 4.49Å; W1077-R1127 VanDerWaalsContact CG-CZ 3.48Å; W1077-R1127 HydrophobicContact CH2-CB 4.05Å; W1077-R1127 HydrophobicContact CH2-CG 3.78Å; W1077-R1127 HydrophobicContact CZ2-CB 4.49Å; W1077-R1127 HydrophobicContact CZ2-CG 3.72Å; W1077-R1127 HydrophobicContact CZ3-CB 3.83Å; W1077-R1127 HydrophobicContact CZ3-CG 3.82Å; P1078-R1127 PolarHBondContact O-NH2 3.41Å; P1078-R1127 VanDerWaalsContact O-NH2 3.15Å; C1121-R1127 HydrophobicContact CB-CB 3.87Å; R1127-G1129 VanDerWaalsContact C-N 3.32Å; R1127-G1129 PolarHBondContact O-N 3.24Å; R1127-V1130 PolarHBondContact O-N 3.06Å; R1127-L1131 PolarHBondContact O-N 3.06Å
1128T98.6Very high97.5Very high0 Ų03.8 Ų3.80%02%0.024CC..Hα-helixtrans-57.6-42.5168.9-62.40000112A981 V1119 C1121 G1124 G1126 L1131 I1132 M1163A981-T1128 HydrophobicContact CB-CG2 3.85Å; V1119-T1128 HydrophobicContact CB-CG2 4.08Å; V1119-T1128 HydrophobicContact CG1-CG2 3.83Å; C1121-T1128 PolarHBondContact N-OG1 3.48Å; C1121-T1128 PolarHBondContact SG-OG1 3.48Å; C1121-T1128 VanDerWaalsContact SG-OG1 3.42Å; G1124-T1128 WeakPolarHBondContact CA-OG1 3.35Å; G1124-T1128 WeakPolarHBondContact O-CG2 3.26Å; G1126-T1128 VanDerWaalsContact C-N 3.3Å; G1126-T1128 PolarHBondContact O-N 2.75Å; T1128-L1131 PolarHBondContact O-N 2.83Å; T1128-I1132 HydrophobicContact CG2-CD1 4Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.3Å; T1128-I1132 PolarHBondContact O-N 3.14Å; T1128-I1132 VanDerWaalsContact O-N 3.08Å; T1128-M1163 HydrophobicContact CG2-CE 4.5Å; T1128-M1163 HydrophobicContact CG2-SD 4.47Å
1129G98.4Very high97.3Very high0 Ų05.3 Ų5.30%03%0.03CC..Hα-helixtrans-69-35.4176.100000112.9V1125 G1126 R1127 L1133 I1164V1125-G1129 WeakPolarHBondContact O-CA 3.48Å; V1125-G1129 PolarHBondContact O-N 3.31Å; G1126-G1129 PolarHBondContact O-N 2.84Å; R1127-G1129 VanDerWaalsContact C-N 3.32Å; R1127-G1129 PolarHBondContact O-N 3.24Å; G1129-L1133 WeakPolarHBondContact O-CB 3.23Å; G1129-L1133 PolarHBondContact O-N 3.11Å; G1129-I1164 VanDerWaalsContact C-CG1 3.45Å
1130V98.6Very high96.9Very high0 Ų05.3 Ų5.30%03%0.03CC..Hα-helixtrans-61.6-50.4172.4172.60000110.6W1077 F1089 G1126 R1127 L1133 S1134 I1164 Q1169 F1172 V1173W1077-V1130 HydrophobicContact CH2-CB 4.03Å; W1077-V1130 HydrophobicContact CH2-CG1 3.94Å; W1077-V1130 HydrophobicContact CH2-CG2 4.02Å; W1077-V1130 HydrophobicContact CZ3-CG1 4.32Å; F1089-V1130 HydrophobicContact CE1-CG1 4.18Å; F1089-V1130 HydrophobicContact CZ-CG1 3.96Å; G1126-V1130 PolarHBondContact O-N 3.47Å; G1126-V1130 VanDerWaalsContact O-N 3.09Å; R1127-V1130 PolarHBondContact O-N 3.06Å; V1130-L1133 PolarHBondContact O-N 2.83Å; V1130-S1134 VanDerWaalsContact O-CB 3.3Å; V1130-S1134 WeakPolarHBondContact O-CB 3.39Å; V1130-S1134 PolarHBondContact O-N 2.94Å; V1130-S1134 PolarHBondContact O-OG 2.81Å; V1130-S1134 VanDerWaalsContact O-OG 3.13Å; V1130-I1164 HydrophobicContact CG2-CD1 4.19Å; V1130-I1164 HydrophobicContact CG2-CG1 4.09Å; V1130-Q1169 HydrophobicContact CG2-CB 3.6Å; V1130-Q1169 HydrophobicContact CG2-CG 4.02Å; V1130-F1172 HydrophobicContact CG1-CD1 3.9Å; V1130-F1172 HydrophobicContact CG1-CE1 4.38Å; V1130-V1173 HydrophobicContact CB-CG2 4.21Å; V1130-V1173 HydrophobicContact CG1-CG2 3.82Å; V1130-V1173 HydrophobicContact CG2-CG2 4.2Å
1131L98.7Very high96.5Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-59.6-52.9-179.4-171.1157.9000112A1006 V1008 F1089 Y1092 L1093 I1096 V1119 R1127 T1128 L1133 S1134 E1135A1006-L1131 HydrophobicContact CB-CD1 4.04Å; V1008-L1131 HydrophobicContact CG2-CB 4.29Å; V1008-L1131 HydrophobicContact CG2-CD1 3.36Å; V1008-L1131 HydrophobicContact CG2-CG 4.5Å; F1089-L1131 HydrophobicContact CZ-CB 4.38Å; Y1092-L1131 HydrophobicContact CD1-CD1 4.45Å; Y1092-L1131 HydrophobicContact CE1-CD1 3.65Å; L1093-L1131 HydrophobicContact CD2-CD2 4.25Å; L1093-L1131 HydrophobicContact CD2-CG 3.85Å; I1096-L1131 HydrophobicContact CD1-CD1 3.75Å; I1096-L1131 HydrophobicContact CD1-CD2 4.36Å; I1096-L1131 HydrophobicContact CD1-CG 4.39Å; V1119-L1131 HydrophobicContact CG1-CB 4.34Å; V1119-L1131 HydrophobicContact CG1-CD1 4.02Å; V1119-L1131 HydrophobicContact CG1-CD2 4.07Å; V1119-L1131 HydrophobicContact CG1-CG 4.38Å; V1119-L1131 HydrophobicContact CG2-CD2 4.24Å; R1127-L1131 PolarHBondContact O-N 3.06Å; T1128-L1131 PolarHBondContact O-N 2.83Å; L1131-L1133 VanDerWaalsContact C-N 3.34Å; L1131-L1133 PolarHBondContact O-N 3.1Å; L1131-S1134 PolarHBondContact O-N 3.07Å; L1131-E1135 WeakPolarHBondContact O-CB 3.47Å; L1131-E1135 PolarHBondContact O-N 3.47Å
1132I98.6Very high96.2Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-65-39.2-177.8-66.9175.5000110.8Y979 A981 V1119 T1128 L1136 L1156 M1163Y979-I1132 HydrophobicContact CD1-CD1 4.04Å; Y979-I1132 HydrophobicContact CD1-CG1 3.84Å; Y979-I1132 HydrophobicContact CD2-CD1 4.48Å; Y979-I1132 HydrophobicContact CD2-CG2 4.11Å; Y979-I1132 HydrophobicContact CE1-CG1 3.95Å; Y979-I1132 HydrophobicContact CE1-CG2 4.43Å; Y979-I1132 HydrophobicContact CE2-CG2 3.84Å; Y979-I1132 HydrophobicContact CG-CD1 3.95Å; Y979-I1132 HydrophobicContact CG-CG1 4.17Å; A981-I1132 HydrophobicContact CB-CD1 4.27Å; V1119-I1132 HydrophobicContact CB-CD1 4.1Å; V1119-I1132 HydrophobicContact CB-CG1 4.36Å; V1119-I1132 HydrophobicContact CG1-CD1 4.47Å; V1119-I1132 HydrophobicContact CG1-CG1 4.37Å; V1119-I1132 HydrophobicContact CG2-CD1 4.11Å; V1119-I1132 HydrophobicContact CG2-CG1 4.09Å; T1128-I1132 HydrophobicContact CG2-CD1 4Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.3Å; T1128-I1132 PolarHBondContact O-N 3.14Å; T1128-I1132 VanDerWaalsContact O-N 3.08Å; I1132-L1136 HydrophobicContact CG2-CD1 3.82Å; I1132-L1136 WeakPolarHBondContact O-CB 3.49Å; I1132-L1136 WeakPolarHBondContact O-CD1 3.31Å; I1132-L1136 VanDerWaalsContact O-CG 3.22Å; I1132-L1136 WeakPolarHBondContact O-CG 3.14Å; I1132-L1136 PolarHBondContact O-N 3.48Å; I1132-L1136 VanDerWaalsContact O-N 3.17Å; I1132-L1156 HydrophobicContact CG2-CD1 4.08Å; I1132-L1156 HydrophobicContact CG2-CD2 3.64Å; I1132-M1163 HydrophobicContact CB-CE 4.45Å; I1132-M1163 HydrophobicContact CD1-CE 4.1Å
1133L98.5Very high95.8Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-68.8-44.2176.4-17462.1000111.7G1129 V1130 L1131 M1137 V1149 M1152 L1153 L1156 I1164 Y1170 V1173G1129-L1133 WeakPolarHBondContact O-CB 3.23Å; G1129-L1133 PolarHBondContact O-N 3.11Å; V1130-L1133 PolarHBondContact O-N 2.83Å; L1131-L1133 VanDerWaalsContact C-N 3.34Å; L1131-L1133 PolarHBondContact O-N 3.1Å; L1133-M1137 HydrophobicContact CD1-CG 3.76Å; L1133-M1137 HydrophobicContact CD1-SD 4.36Å; L1133-M1137 HydrophobicContact CG-CG 4.01Å; L1133-M1137 WeakPolarHBondContact O-CB 3.24Å; L1133-M1137 WeakPolarHBondContact O-CG 3.49Å; L1133-M1137 PolarHBondContact O-N 3.24Å; L1133-V1149 HydrophobicContact CD2-CG1 3.93Å; L1133-M1152 HydrophobicContact CD1-CB 3.65Å; L1133-M1152 HydrophobicContact CD1-CG 3.41Å; L1133-M1152 VanDerWaalsContact CD1-CG 3.41Å; L1133-L1153 HydrophobicContact CD2-CB 4Å; L1133-L1153 HydrophobicContact CD2-CD1 4.31Å; L1133-L1156 HydrophobicContact CB-CD1 3.94Å; L1133-L1156 HydrophobicContact CD1-CD1 4.07Å; L1133-I1164 HydrophobicContact CB-CD1 4.14Å; L1133-I1164 HydrophobicContact CD2-CD1 3.48Å; L1133-I1164 VanDerWaalsContact CD2-CD1 3.48Å; L1133-I1164 HydrophobicContact CG-CD1 4.45Å; L1133-Y1170 HydrophobicContact CD2-CE2 4.3Å; L1133-V1173 HydrophobicContact CD2-CG1 4.01Å; L1133-V1173 HydrophobicContact CD2-CG2 4.29Å; L1133-V1173 HydrophobicContact CG-CG1 4.07Å
1134S98.3Very high95.4Very high0 Ų017.8 Ų17.80%09%0.087CC..Hα-helixtrans-61.9-46.9178.3-70.40000111.9V1130 L1131 M1137 I1138V1130-S1134 VanDerWaalsContact O-CB 3.3Å; V1130-S1134 WeakPolarHBondContact O-CB 3.39Å; V1130-S1134 PolarHBondContact O-N 2.94Å; V1130-S1134 PolarHBondContact O-OG 2.81Å; V1130-S1134 VanDerWaalsContact O-OG 3.13Å; L1131-S1134 PolarHBondContact O-N 3.07Å; S1134-M1137 PolarHBondContact O-N 2.87Å; S1134-I1138 WeakPolarHBondContact O-CB 3.29Å; S1134-I1138 VanDerWaalsContact O-CG1 3.25Å; S1134-I1138 WeakPolarHBondContact O-CG1 3.33Å; S1134-I1138 PolarHBondContact O-N 2.99Å
1135E97.6Very high94.9Very high0 Ų021.4 Ų21.40%010%0.104CC..Hα-helixtrans-62.7-46.1179.7-170.3177-129.600111.8W977 Y979 L1093 R1100 L1131 I1138 Y1139W977-E1135 HydrophobicContact CH2-CG 4.22Å; W977-E1135 HydrophobicContact CZ3-CG 3.78Å; Y979-E1135 VanDerWaalsContact CE1-OE2 3.25Å; Y979-E1135 WeakPolarHBondContact CE1-OE2 3.41Å; Y979-E1135 PolarHBondContact OH-OE2 2.66Å; L1093-E1135 HydrophobicContact CD2-CB 4.35Å; R1100-E1135 IonicContact CZ-OE1 2.99Å; R1100-E1135 IonicContact CZ-OE2 3.54Å; R1100-E1135 IonicContact NH1-OE1 2.86Å; R1100-E1135 IonicContact NH1-OE2 3.06Å; R1100-E1135 PolarHBondContact NH1-OE2 2.87Å; R1100-E1135 IonicContact NH2-OE1 3.19Å; R1100-E1135 PolarHBondContact NH2-OE1 2.64Å; R1100-E1135 IonicContact NH2-OE2 3.94Å; R1100-E1135 PolarHBondContact NH2-OE2 3.11Å; L1131-E1135 WeakPolarHBondContact O-CB 3.47Å; L1131-E1135 PolarHBondContact O-N 3.47Å; E1135-I1138 PolarHBondContact O-N 2.85Å; E1135-Y1139 PolarHBondContact O-N 3.23Å; E1135-Y1139 VanDerWaalsContact O-N 3.09Å
1136L96.6Very high94Very high0 Ų031.5 Ų31.50%015%0.148CC..Hα-helixtrans-61.8-46.5175.1-70.9169.3000111.5V970 W977 Y979 I1132 I1138 Y1139 C1140 M1152 L1156V970-L1136 HydrophobicContact CB-CD1 4.24Å; V970-L1136 HydrophobicContact CB-CD2 4.14Å; V970-L1136 HydrophobicContact CG1-CD1 4.32Å; V970-L1136 HydrophobicContact CG1-CD2 4.28Å; V970-L1136 HydrophobicContact CG2-CD1 3.78Å; W977-L1136 HydrophobicContact CB-CD2 3.89Å; W977-L1136 HydrophobicContact CD2-CD2 3.87Å; W977-L1136 HydrophobicContact CE3-CD2 4.35Å; W977-L1136 HydrophobicContact CG-CD2 3.63Å; Y979-L1136 HydrophobicContact CE2-CD1 4.43Å; Y979-L1136 HydrophobicContact CE2-CD2 4.36Å; Y979-L1136 HydrophobicContact CE2-CG 4.43Å; I1132-L1136 HydrophobicContact CG2-CD1 3.82Å; I1132-L1136 WeakPolarHBondContact O-CB 3.49Å; I1132-L1136 WeakPolarHBondContact O-CD1 3.31Å; I1132-L1136 VanDerWaalsContact O-CG 3.22Å; I1132-L1136 WeakPolarHBondContact O-CG 3.14Å; I1132-L1136 PolarHBondContact O-N 3.48Å; I1132-L1136 VanDerWaalsContact O-N 3.17Å; L1136-I1138 PolarHBondContact O-N 2.79Å; L1136-Y1139 PolarHBondContact O-N 3.26Å; L1136-C1140 PolarHBondContact O-N 3.27Å; L1136-C1140 PolarHBondContact O-SG 3.21Å; L1136-M1152 HydrophobicContact CB-CG 4.45Å; L1136-M1152 HydrophobicContact CB-SD 4.5Å; L1136-M1152 HydrophobicContact CD1-CG 4.45Å; L1136-M1152 HydrophobicContact CD1-SD 4.02Å; L1136-L1156 HydrophobicContact CD1-CD2 4.03Å
1137M95.9Very high92.6Very high4 Ų433.3 Ų33.32%0.0216%0.157CC..Hα-helixtrans-67.6-33.4-178.6-73.2-60.3-37.800112.9L1133 S1134 C1140 L1141 V1147 V1149 M1152 L1177L1133-M1137 HydrophobicContact CD1-CG 3.76Å; L1133-M1137 HydrophobicContact CD1-SD 4.36Å; L1133-M1137 HydrophobicContact CG-CG 4.01Å; L1133-M1137 WeakPolarHBondContact O-CB 3.24Å; L1133-M1137 WeakPolarHBondContact O-CG 3.49Å; L1133-M1137 PolarHBondContact O-N 3.24Å; S1134-M1137 PolarHBondContact O-N 2.87Å; M1137-C1140 WeakPolarHBondContact O-CB 3.4Å; M1137-C1140 PolarHBondContact O-N 3.45Å; M1137-L1141 WeakPolarHBondContact O-CG 3.4Å; M1137-L1141 PolarHBondContact O-N 2.77Å; M1137-V1147 HydrophobicContact CE-CB 3.99Å; M1137-V1147 HydrophobicContact CE-CG1 3.72Å; M1137-V1147 HydrophobicContact SD-CB 4.35Å; M1137-V1147 HydrophobicContact SD-CG1 3.44Å; M1137-V1147 WeakPolarHBondContact SD-CG1 3.32Å; M1137-V1149 HydrophobicContact CE-CG2 3.83Å; M1137-V1149 HydrophobicContact SD-CB 4.43Å; M1137-V1149 HydrophobicContact SD-CG2 4.14Å; M1137-M1152 HydrophobicContact SD-CB 3.97Å; M1137-M1152 HydrophobicContact SD-CG 4.32Å; M1137-L1177 HydrophobicContact CB-CD1 3.68Å; M1137-L1177 HydrophobicContact CB-CD2 3.48Å; M1137-L1177 VanDerWaalsContact CB-CD2 3.48Å; M1137-L1177 HydrophobicContact CB-CG 4.19Å; M1137-L1177 HydrophobicContact CE-CD1 4.42Å; M1137-L1177 HydrophobicContact CG-CD1 4.08Å
1138I95Very high92Very high6 Ų637.3 Ų37.33%0.03118%0.177CC..Hα-helixtrans-62.7-51.5171.9-76169.3000109.7L1090 L1093 S1134 E1135 L1136 C1140 L1141 E1142 V1176 L1177 F1180L1090-I1138 HydrophobicContact CD2-CD1 3.81Å; L1093-I1138 HydrophobicContact CD1-CD1 3.76Å; S1134-I1138 WeakPolarHBondContact O-CB 3.29Å; S1134-I1138 VanDerWaalsContact O-CG1 3.25Å; S1134-I1138 WeakPolarHBondContact O-CG1 3.33Å; S1134-I1138 PolarHBondContact O-N 2.99Å; E1135-I1138 PolarHBondContact O-N 2.85Å; L1136-I1138 PolarHBondContact O-N 2.79Å; I1138-C1140 PolarHBondContact O-N 3.48Å; I1138-L1141 WeakPolarHBondContact O-CA 3.35Å; I1138-L1141 WeakPolarHBondContact O-CB 3.43Å; I1138-L1141 PolarHBondContact O-N 2.92Å; I1138-E1142 HydrophobicContact CG2-CG 4.32Å; I1138-E1142 WeakPolarHBondContact CG2-OE1 3.36Å; I1138-E1142 WeakPolarHBondContact O-CG 3.13Å; I1138-E1142 PolarHBondContact O-N 2.88Å; I1138-V1176 HydrophobicContact CD1-CG1 4.22Å; I1138-L1177 HydrophobicContact CG1-CD2 3.79Å; I1138-F1180 HydrophobicContact CD1-CD2 4.31Å; I1138-F1180 HydrophobicContact CD1-CG 4.48Å; I1138-F1180 HydrophobicContact CG1-CB 4.48Å; I1138-F1180 HydrophobicContact CG1-CD1 4.36Å; I1138-F1180 HydrophobicContact CG1-CD2 4.28Å; I1138-F1180 HydrophobicContact CG1-CG 4.11Å; I1138-F1180 HydrophobicContact CG2-CD1 4.4Å; I1138-F1180 HydrophobicContact CG2-CD2 4.08Å; I1138-F1180 HydrophobicContact CG2-CE1 4.03Å; I1138-F1180 HydrophobicContact CG2-CE2 3.68Å; I1138-F1180 HydrophobicContact CG2-CG 4.43Å; I1138-F1180 HydrophobicContact CG2-CZ 3.66Å
1139Y93.4Very high91.8Very high32 Ų3237.4 Ų37.413%0.12518%0.177CC..Hα-helixtrans-54.2-40.4175.5179-102.4000112.4V972 A975 W977 E1135 L1136 L1141 E1142 H1143V972-Y1139 HydrophobicContact CB-CD1 4.02Å; V972-Y1139 HydrophobicContact CB-CE1 3.87Å; V972-Y1139 HydrophobicContact CG1-CD1 3.81Å; V972-Y1139 HydrophobicContact CG1-CE1 3.78Å; A975-Y1139 HydrophobicContact CB-CE1 4.2Å; A975-Y1139 WeakPolarHBondContact CB-OH 3.35Å; W977-Y1139 HydrophobicContact CH2-CD2 4.42Å; W977-Y1139 HydrophobicContact CH2-CG 4.44Å; W977-Y1139 HydrophobicContact CZ2-CD1 4.02Å; W977-Y1139 AromaticContact CZ2-CD2 3.54Å; W977-Y1139 HydrophobicContact CZ2-CD2 3.54Å; W977-Y1139 HydrophobicContact CZ2-CE2 4.08Å; W977-Y1139 AromaticContact CZ2-CG 3.49Å; W977-Y1139 HydrophobicContact CZ2-CG 3.49Å; W977-Y1139 VanDerWaalsContact CZ2-CG 3.49Å; W977-Y1139 AromaticContact NE1-CD1 3.67Å; W977-Y1139 AromaticContact NE1-CE1 3.77Å; E1135-Y1139 PolarHBondContact O-N 3.23Å; E1135-Y1139 VanDerWaalsContact O-N 3.09Å; L1136-Y1139 PolarHBondContact O-N 3.26Å; Y1139-L1141 PolarHBondContact O-N 3.27Å; Y1139-E1142 WeakPolarHBondContact CA-OE2 3.34Å; Y1139-H1143 AromaticContact CD2-CE1 3.35Å; Y1139-H1143 WeakPolarHBondContact CD2-CE1 3.27Å; Y1139-H1143 AromaticContact CD2-ND1 3.34Å; Y1139-H1143 VanDerWaalsContact CD2-ND1 3.34Å; Y1139-H1143 WeakPolarHBondContact CD2-ND1 3.32Å; Y1139-H1143 AromaticContact CE2-CD2 3.83Å; Y1139-H1143 AromaticContact CE2-CE1 3.05Å; Y1139-H1143 WeakPolarHBondContact CE2-CE1 3.45Å; Y1139-H1143 AromaticContact CE2-CG 3.79Å; Y1139-H1143 AromaticContact CE2-ND1 3.27Å; Y1139-H1143 VanDerWaalsContact CE2-ND1 3.27Å; Y1139-H1143 WeakPolarHBondContact CE2-ND1 3.37Å; Y1139-H1143 AromaticContact CE2-NE2 3.37Å; Y1139-H1143 WeakPolarHBondContact CE2-NE2 3.48Å; Y1139-H1143 AromaticContact CG-ND1 3.95Å; Y1139-H1143 AromaticContact CZ-CD2 3.87Å; Y1139-H1143 AromaticContact CZ-CE1 3.85Å; Y1139-H1143 AromaticContact CZ-CG 3.82Å; Y1139-H1143 AromaticContact CZ-ND1 3.77Å; Y1139-H1143 AromaticContact CZ-NE2 3.87Å; Y1139-H1143 WeakPolarHBondContact O-CB 3.47Å; Y1139-H1143 PolarHBondContact O-N 3.24Å; Y1139-H1143 PolarHBondContact O-ND1 2.88Å
1140C91.2Very high91.7Very high1 Ų138.5 Ų38.51%0.00719%0.185CC..Hα-helixtrans-65-36.3175.9-61.10000113.1L1136 M1137 I1138 N1144 E1145 V1147L1136-C1140 PolarHBondContact O-N 3.27Å; L1136-C1140 PolarHBondContact O-SG 3.21Å; M1137-C1140 WeakPolarHBondContact O-CB 3.4Å; M1137-C1140 PolarHBondContact O-N 3.45Å; I1138-C1140 PolarHBondContact O-N 3.48Å; C1140-N1144 PolarHBondContact O-N 2.85Å; C1140-E1145 HydrophobicContact CB-CB 4.16Å; C1140-E1145 PolarHBondContact O-N 2.83Å; C1140-V1147 HydrophobicContact CB-CB 3.85Å; C1140-V1147 HydrophobicContact CB-CG1 4.39Å; C1140-V1147 HydrophobicContact CB-CG2 3.62Å; C1140-V1147 VanDerWaalsContact SG-CG2 3.51Å
1141L90Very high91.5Very high16 Ų1644.3 Ų44.38%0.08421%0.213CC..Hα-helixtrans-71.6-45.8177.3-72.1171.5000111.6R896 L900 M1137 I1138 Y1139 H1143 N1144 L1177 F1180 L1181R896-L1141 PolarHBondContact NH1-O 3.18Å; L900-L1141 HydrophobicContact CD1-CD1 4.47Å; M1137-L1141 WeakPolarHBondContact O-CG 3.4Å; M1137-L1141 PolarHBondContact O-N 2.77Å; I1138-L1141 WeakPolarHBondContact O-CA 3.35Å; I1138-L1141 WeakPolarHBondContact O-CB 3.43Å; I1138-L1141 PolarHBondContact O-N 2.92Å; Y1139-L1141 PolarHBondContact O-N 3.27Å; L1141-H1143 PolarHBondContact O-N 3.47Å; L1141-N1144 PolarHBondContact O-N 3.01Å; L1141-L1177 HydrophobicContact CD1-CB 4.11Å; L1141-L1177 HydrophobicContact CD1-CD2 3.72Å; L1141-L1177 HydrophobicContact CD1-CG 4.41Å; L1141-F1180 HydrophobicContact CB-CE1 4.44Å; L1141-F1180 HydrophobicContact CD1-CD1 4.43Å; L1141-L1181 HydrophobicContact CB-CD2 4.39Å; L1141-L1181 HydrophobicContact CD1-CD1 3.97Å; L1141-L1181 HydrophobicContact CD1-CD2 4.25Å; L1141-L1181 HydrophobicContact CD1-CG 3.98Å; L1141-L1181 HydrophobicContact CD2-CD1 4.16Å; L1141-L1181 HydrophobicContact CD2-CD2 4.46Å
1142E90.3Very high91.5Very high76 Ų7645 Ų4536%0.35522%0.216SC..Hα-helixtrans-54-50.5174.6-68.9167.216900111.4I1138 Y1139 N1144 F1180I1138-E1142 HydrophobicContact CG2-CG 4.32Å; I1138-E1142 WeakPolarHBondContact CG2-OE1 3.36Å; I1138-E1142 WeakPolarHBondContact O-CG 3.13Å; I1138-E1142 PolarHBondContact O-N 2.88Å; Y1139-E1142 WeakPolarHBondContact CA-OE2 3.34Å; E1142-N1144 PolarHBondContact O-N 2.81Å; E1142-N1144 PolarHBondContact O-ND2 3.01Å; E1142-F1180 HydrophobicContact CG-CE1 4.01Å; E1142-F1180 HydrophobicContact CG-CZ 3.63Å
1143H88Confident91.4Very high99 Ų9945 Ų4546%0.45822%0.216SC..THydrogen-bonded Turntrans-86.15.2-174.7-63.868.1000113Y1139 L1141 E1145Y1139-H1143 AromaticContact CD2-CE1 3.35Å; Y1139-H1143 WeakPolarHBondContact CD2-CE1 3.27Å; Y1139-H1143 AromaticContact CD2-ND1 3.34Å; Y1139-H1143 VanDerWaalsContact CD2-ND1 3.34Å; Y1139-H1143 WeakPolarHBondContact CD2-ND1 3.32Å; Y1139-H1143 AromaticContact CE2-CD2 3.83Å; Y1139-H1143 AromaticContact CE2-CE1 3.05Å; Y1139-H1143 WeakPolarHBondContact CE2-CE1 3.45Å; Y1139-H1143 AromaticContact CE2-CG 3.79Å; Y1139-H1143 AromaticContact CE2-ND1 3.27Å; Y1139-H1143 VanDerWaalsContact CE2-ND1 3.27Å; Y1139-H1143 WeakPolarHBondContact CE2-ND1 3.37Å; Y1139-H1143 AromaticContact CE2-NE2 3.37Å; Y1139-H1143 WeakPolarHBondContact CE2-NE2 3.48Å; Y1139-H1143 AromaticContact CG-ND1 3.95Å; Y1139-H1143 AromaticContact CZ-CD2 3.87Å; Y1139-H1143 AromaticContact CZ-CE1 3.85Å; Y1139-H1143 AromaticContact CZ-CG 3.82Å; Y1139-H1143 AromaticContact CZ-ND1 3.77Å; Y1139-H1143 AromaticContact CZ-NE2 3.87Å; Y1139-H1143 WeakPolarHBondContact O-CB 3.47Å; Y1139-H1143 PolarHBondContact O-N 3.24Å; Y1139-H1143 PolarHBondContact O-ND1 2.88Å; L1141-H1143 PolarHBondContact O-N 3.47Å; H1143-E1145 HydrophobicContact CB-CG 4.29Å; H1143-E1145 PolarHBondContact O-N 2.8Å
1144N86.1Confident91.4Very high110 Ų11050.8 Ų50.859%0.58824%0.238SC*.THydrogen-bonded Turntrans57.930.4179.1-56.1-74.4000114.7R896 C1140 L1141 E1142R896-N1144 VanDerWaalsContact CZ-OD1 3.26Å; R896-N1144 PolarHBondContact NH1-OD1 2.73Å; R896-N1144 VanDerWaalsContact NH1-OD1 3.1Å; R896-N1144 PolarHBondContact NH2-OD1 3.23Å; C1140-N1144 PolarHBondContact O-N 2.85Å; L1141-N1144 PolarHBondContact O-N 3.01Å; E1142-N1144 PolarHBondContact O-N 2.81Å; E1142-N1144 PolarHBondContact O-ND2 3.01Å
1145E86.7Confident91.3Very high76 Ų7654.1 Ų54.136%0.35526%0.256SS..  trans-71.9146178.5-75.7-73.7-171.900112.4V972 G973 C1140 H1143 V1147V972-E1145 HydrophobicContact CG1-CB 4.35Å; V972-E1145 HydrophobicContact CG1-CG 3.94Å; G973-E1145 WeakPolarHBondContact CA-OE1 3.24Å; G973-E1145 PolarHBondContact N-OE1 2.79Å; C1140-E1145 HydrophobicContact CB-CB 4.16Å; C1140-E1145 PolarHBondContact O-N 2.83Å; H1143-E1145 HydrophobicContact CB-CG 4.29Å; H1143-E1145 PolarHBondContact O-N 2.8Å; E1145-V1147 HydrophobicContact CB-CG2 3.87Å; E1145-V1147 PolarHBondContact O-N 2.95Å
1146K78.3Confident91.3Very high212 Ų21254.1 Ų54.192%0.92226%0.256SS*.  trans-7979.8-177.6-72.9-174.4177.4179.10111.6
1147V67.4Low91.4Very high46 Ų4654.2 Ų54.228%0.27926%0.256SS..  trans-120118.1-170.6-170.90000114.5M1137 C1140 E1145 M1152M1137-V1147 HydrophobicContact CE-CB 3.99Å; M1137-V1147 HydrophobicContact CE-CG1 3.72Å; M1137-V1147 HydrophobicContact SD-CB 4.35Å; M1137-V1147 HydrophobicContact SD-CG1 3.44Å; M1137-V1147 WeakPolarHBondContact SD-CG1 3.32Å; C1140-V1147 HydrophobicContact CB-CB 3.85Å; C1140-V1147 HydrophobicContact CB-CG1 4.39Å; C1140-V1147 HydrophobicContact CB-CG2 3.62Å; C1140-V1147 VanDerWaalsContact SG-CG2 3.51Å; E1145-V1147 HydrophobicContact CB-CG2 3.87Å; E1145-V1147 PolarHBondContact O-N 2.95Å; V1147-M1152 HydrophobicContact CG1-CB 4.19Å; V1147-M1152 HydrophobicContact CG1-CE 4.08Å
1148E86.5Confident91.5Very high105 Ų10557 Ų5749%0.49127%0.269SS..  trans-82.4116.9165.7-76.9-72.8175.900110.1K903 P1150 M1151 M1152K903-E1148 IonicContact NZ-OE2 3.53Å; K903-E1148 PolarHBondContact NZ-OE2 3.05Å; E1148-P1150 VanDerWaalsContact C-CD 3.4Å; E1148-P1150 VanDerWaalsContact C-N 3.29Å; E1148-P1150 HydrophobicContact CB-CG 4.17Å; E1148-M1151 HydrophobicContact CB-CB 3.94Å; E1148-M1151 WeakPolarHBondContact O-CB 3.31Å; E1148-M1151 PolarHBondContact O-N 2.87Å; E1148-M1152 PolarHBondContact O-N 3.24Å; E1148-M1152 VanDerWaalsContact O-N 3.08Å
1149V94.6Very high91.6Very high2 Ų258.6 Ų58.61%0.01228%0.276CS..Hα-helixtrans-43.7-45.6170.9-170.90000113.3L900 L1133 M1137 M1151 M1152 L1153 Y1170 V1173 Y1174 L1177L900-V1149 HydrophobicContact CD2-CG2 4.22Å; L1133-V1149 HydrophobicContact CD2-CG1 3.93Å; M1137-V1149 HydrophobicContact CE-CG2 3.83Å; M1137-V1149 HydrophobicContact SD-CB 4.43Å; M1137-V1149 HydrophobicContact SD-CG2 4.14Å; V1149-M1151 VanDerWaalsContact C-N 3.34Å; V1149-M1151 PolarHBondContact O-N 2.96Å; V1149-M1152 PolarHBondContact O-N 3.01Å; V1149-L1153 PolarHBondContact O-N 2.95Å; V1149-Y1170 HydrophobicContact CG1-CE2 3.83Å; V1149-V1173 HydrophobicContact CG1-CG1 4.4Å; V1149-Y1174 HydrophobicContact CB-CE2 4Å; V1149-Y1174 HydrophobicContact CG1-CD2 4.45Å; V1149-Y1174 HydrophobicContact CG1-CE2 3.83Å; V1149-Y1174 HydrophobicContact CG2-CE1 4.46Å; V1149-Y1174 HydrophobicContact CG2-CE2 4.16Å; V1149-L1177 HydrophobicContact CG2-CD1 4.05Å
1150P95.9Very high91.9Very high23 Ų2357 Ų5715%0.14927%0.27CS..Hα-helixtrans-67.5-30.8178.125.1-36000113.8E912 I916 E1148 R1154 Y1170E912-P1150 HydrophobicContact CG-CB 3.77Å; E912-P1150 HydrophobicContact CG-CG 3.85Å; I916-P1150 HydrophobicContact CD1-CB 3.68Å; I916-P1150 HydrophobicContact CG1-CB 4.04Å; E1148-P1150 VanDerWaalsContact C-CD 3.4Å; E1148-P1150 VanDerWaalsContact C-N 3.29Å; E1148-P1150 HydrophobicContact CB-CG 4.17Å; P1150-R1154 WeakPolarHBondContact O-CB 3.33Å; P1150-R1154 PolarHBondContact O-N 3.46Å; P1150-Y1170 WeakPolarHBondContact CA-OH 3.27Å; P1150-Y1170 WeakPolarHBondContact CD-OH 3.43Å
1151M94.9Very high92.2Very high122 Ų12257.3 Ų57.360%0.60127%0.272SS*.Hα-helixtrans-72.6-42.2178.5-168.664.874.500110.9E1148 V1149 R1154 L1155E1148-M1151 HydrophobicContact CB-CB 3.94Å; E1148-M1151 WeakPolarHBondContact O-CB 3.31Å; E1148-M1151 PolarHBondContact O-N 2.87Å; V1149-M1151 VanDerWaalsContact C-N 3.34Å; V1149-M1151 PolarHBondContact O-N 2.96Å; M1151-R1154 WeakPolarHBondContact O-CB 3.28Å; M1151-R1154 PolarHBondContact O-N 3.35Å; M1151-L1155 PolarHBondContact O-N 2.96Å
1152M97Very high92.6Very high14 Ų1459.3 Ų59.37%0.06928%0.28CS..Hα-helixtrans-64.3-42174.4-172.661.87700111V970 V972 L1133 L1136 M1137 V1147 E1148 V1149 R1154 L1155 L1156V970-M1152 HydrophobicContact CG1-CE 4.14Å; V970-M1152 HydrophobicContact CG1-SD 3.85Å; V972-M1152 HydrophobicContact CG2-CE 3.92Å; L1133-M1152 HydrophobicContact CD1-CB 3.65Å; L1133-M1152 HydrophobicContact CD1-CG 3.41Å; L1133-M1152 VanDerWaalsContact CD1-CG 3.41Å; L1136-M1152 HydrophobicContact CB-CG 4.45Å; L1136-M1152 HydrophobicContact CB-SD 4.5Å; L1136-M1152 HydrophobicContact CD1-CG 4.45Å; L1136-M1152 HydrophobicContact CD1-SD 4.02Å; M1137-M1152 HydrophobicContact SD-CB 3.97Å; M1137-M1152 HydrophobicContact SD-CG 4.32Å; V1147-M1152 HydrophobicContact CG1-CB 4.19Å; V1147-M1152 HydrophobicContact CG1-CE 4.08Å; E1148-M1152 PolarHBondContact O-N 3.24Å; E1148-M1152 VanDerWaalsContact O-N 3.08Å; V1149-M1152 PolarHBondContact O-N 3.01Å; M1152-R1154 VanDerWaalsContact C-N 3.32Å; M1152-R1154 PolarHBondContact O-N 2.86Å; M1152-L1155 WeakPolarHBondContact O-CB 3.46Å; M1152-L1155 PolarHBondContact O-N 2.86Å; M1152-L1155 HydrophobicContact SD-CD2 4.46Å; M1152-L1156 WeakPolarHBondContact O-CG 3.24Å; M1152-L1156 PolarHBondContact O-N 2.67Å
1153L98.1Very high93Very high0 Ų055.7 Ų55.70%026%0.263CS..Hα-helixtrans-63-37.2174-176.855.2000112.5Y913 I916 L1133 V1149 L1156 R1157 M1163 I1164 Y1170Y913-L1153 HydrophobicContact CD2-CD2 4.33Å; Y913-L1153 HydrophobicContact CE2-CD2 4.39Å; I916-L1153 HydrophobicContact CD1-CB 4.3Å; I916-L1153 HydrophobicContact CD1-CD2 3.86Å; I916-L1153 HydrophobicContact CD1-CG 4.34Å; L1133-L1153 HydrophobicContact CD2-CB 4Å; L1133-L1153 HydrophobicContact CD2-CD1 4.31Å; V1149-L1153 PolarHBondContact O-N 2.95Å; L1153-L1156 PolarHBondContact O-N 3.36Å; L1153-R1157 HydrophobicContact CD1-CG 4.48Å; L1153-R1157 WeakPolarHBondContact O-CG 3.39Å; L1153-R1157 PolarHBondContact O-N 2.7Å; L1153-M1163 HydrophobicContact CD1-CB 4.27Å; L1153-M1163 WeakPolarHBondContact CD1-O 3.37Å; L1153-I1164 HydrophobicContact CD1-CB 4.05Å; L1153-I1164 HydrophobicContact CD1-CD1 3.99Å; L1153-I1164 HydrophobicContact CD1-CG1 3.94Å; L1153-I1164 HydrophobicContact CD2-CB 4.17Å; L1153-I1164 HydrophobicContact CD2-CD1 4.27Å; L1153-Y1170 HydrophobicContact CB-CE2 4.39Å; L1153-Y1170 HydrophobicContact CD2-CD2 3.6Å; L1153-Y1170 HydrophobicContact CD2-CE2 3.46Å; L1153-Y1170 VanDerWaalsContact CD2-CE2 3.46Å
1154R97.1Very high93.4Very high122 Ų12251 Ų5146%0.4624%0.241SC..Hα-helixtrans-61.2-48.3172.7-174.3179.9177.3176.2-0.7111.1I916 P1150 M1151 M1152 L1156 R1157 E1158I916-R1154 HydrophobicContact CG2-CB 4.18Å; P1150-R1154 WeakPolarHBondContact O-CB 3.33Å; P1150-R1154 PolarHBondContact O-N 3.46Å; M1151-R1154 WeakPolarHBondContact O-CB 3.28Å; M1151-R1154 PolarHBondContact O-N 3.35Å; M1152-R1154 VanDerWaalsContact C-N 3.32Å; M1152-R1154 PolarHBondContact O-N 2.86Å; R1154-L1156 VanDerWaalsContact C-N 3.28Å; R1154-L1156 PolarHBondContact O-N 3.4Å; R1154-R1157 CarbonylContact O-C 3.6Å; R1154-R1157 WeakPolarHBondContact O-CA 3.31Å; R1154-R1157 PolarHBondContact O-N 3.42Å; R1154-E1158 IonicContact NE-OE1 3.11Å; R1154-E1158 WeakPolarHBondContact O-CG 3.24Å; R1154-E1158 PolarHBondContact O-N 3.42Å
1155L96.8Very high93.9Very high70 Ų7050 Ų5037%0.36623%0.233SC..Hα-helixtrans-56.3-41.1177.6-175.7155.5000112V970 M1151 M1152V970-L1155 HydrophobicContact CB-CD2 4.33Å; V970-L1155 HydrophobicContact CG1-CD1 4.47Å; V970-L1155 HydrophobicContact CG1-CD2 3.91Å; V970-L1155 HydrophobicContact CG2-CD2 3.69Å; M1151-L1155 PolarHBondContact O-N 2.96Å; M1152-L1155 WeakPolarHBondContact O-CB 3.46Å; M1152-L1155 PolarHBondContact O-N 2.86Å; M1152-L1155 HydrophobicContact SD-CD2 4.46Å
1156L98.3Very high94.3Very high0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-64.2-37.4173.2-65.1175.9000112.3I968 V970 I1132 L1133 L1136 M1152 L1153 R1154 Q1159 R1160 M1163I968-L1156 HydrophobicContact CG2-CD2 3.56Å; V970-L1156 HydrophobicContact CG2-CD2 4.2Å; I1132-L1156 HydrophobicContact CG2-CD1 4.08Å; I1132-L1156 HydrophobicContact CG2-CD2 3.64Å; L1133-L1156 HydrophobicContact CB-CD1 3.94Å; L1133-L1156 HydrophobicContact CD1-CD1 4.07Å; L1136-L1156 HydrophobicContact CD1-CD2 4.03Å; M1152-L1156 WeakPolarHBondContact O-CG 3.24Å; M1152-L1156 PolarHBondContact O-N 2.67Å; L1153-L1156 PolarHBondContact O-N 3.36Å; R1154-L1156 VanDerWaalsContact C-N 3.28Å; R1154-L1156 PolarHBondContact O-N 3.4Å; L1156-Q1159 PolarHBondContact O-N 3.2Å; L1156-R1160 PolarHBondContact O-N 2.93Å; L1156-M1163 HydrophobicContact CB-CB 4.36Å; L1156-M1163 HydrophobicContact CB-CE 4.37Å; L1156-M1163 HydrophobicContact CB-CG 4.46Å; L1156-M1163 HydrophobicContact CD1-CE 4.49Å
1157R98.3Very high95Very high3 Ų341.4 Ų41.41%0.01120%0.201CC..Hα-helixtrans-75.3-25.6179.8-74.2-174.8-179.4166.92.6115.1Y913 I916 P917 Y945 L1153 R1154 Q1159 R1160 M1163 I1164Y913-R1157 PolarHBondContact OH-NH2 2.72Å; I916-R1157 PolarHBondContact O-NH1 3.28Å; P917-R1157 WeakPolarHBondContact O-CD 3.48Å; P917-R1157 PolarHBondContact O-NH1 2.85Å; Y945-R1157 WeakPolarHBondContact CE2-O 3.45Å; Y945-R1157 PolarHBondContact OH-O 3.34Å; L1153-R1157 HydrophobicContact CD1-CG 4.48Å; L1153-R1157 WeakPolarHBondContact O-CG 3.39Å; L1153-R1157 PolarHBondContact O-N 2.7Å; R1154-R1157 CarbonylContact O-C 3.6Å; R1154-R1157 WeakPolarHBondContact O-CA 3.31Å; R1154-R1157 PolarHBondContact O-N 3.42Å; R1157-Q1159 PolarHBondContact O-N 2.88Å; R1157-R1160 WeakPolarHBondContact CA-O 3.42Å; R1157-M1163 HydrophobicContact CG-CB 3.94Å; R1157-M1163 PolarHBondContact NE-O 3.06Å; R1157-M1163 PolarHBondContact NH2-O 2.92Å; R1157-M1163 VanDerWaalsContact NH2-O 3.14Å; R1157-I1164 PolarHBondContact NH2-O 3.47Å
1158E97.6Very high96.3Very high61 Ų6141 Ų4129%0.28520%0.202SC..THydrogen-bonded Turntrans-68.5-16.4168.2-58.9-61.5169.400112.1K920 Y945 R1154K920-E1158 WeakPolarHBondContact CB-OE2 3.43Å; K920-E1158 VanDerWaalsContact CG-OE2 3.29Å; K920-E1158 WeakPolarHBondContact CG-OE2 3.26Å; Y945-E1158 WeakPolarHBondContact CE2-O 3.22Å; R1154-E1158 IonicContact NE-OE1 3.11Å; R1154-E1158 WeakPolarHBondContact O-CG 3.24Å; R1154-E1158 PolarHBondContact O-N 3.42Å
1159Q98.3Very high96.8Very high40 Ų4037 Ų3719%0.18718%0.184CC..THydrogen-bonded Turntrans-108-29.2178.1-65.7-174.366.700114.3Y945 N948 I968 K969 L1156 R1157Y945-Q1159 WeakPolarHBondContact CD2-O 3.29Å; N948-Q1159 PolarHBondContact ND2-O 2.98Å; N948-Q1159 PolarHBondContact OD1-O 3.46Å; I968-Q1159 HydrophobicContact CD1-CB 3.86Å; K969-Q1159 PolarHBondContact O-NE2 3.49Å; K969-Q1159 PolarHBondContact O-OE1 2.95Å; L1156-Q1159 PolarHBondContact O-N 3.2Å; R1157-Q1159 PolarHBondContact O-N 2.88Å
1160R98.4Very high96.9Very high0 Ų036.9 Ų36.90%018%0.183CC..BIsolated β-bridgetrans-146.7124.7166.9-173172.6176.577.53.1110.4N964 S966 I968 A1123 G1124 V1125 L1156 R1157 M1163N964-R1160 PolarHBondContact OD1-NH1 2.95Å; N964-R1160 PolarHBondContact OD1-NH2 3.42Å; S966-R1160 WeakPolarHBondContact OG-CG 3.28Å; S966-R1160 PolarHBondContact OG-NH1 3.01Å; I968-R1160 HydrophobicContact CD1-CB 3.78Å; A1123-R1160 PolarHBondContact O-NH2 3.31Å; A1123-R1160 VanDerWaalsContact O-NH2 3.09Å; G1124-R1160 PolarHBondContact O-NE 2.99Å; V1125-R1160 HydrophobicContact CG1-CG 3.96Å; L1156-R1160 PolarHBondContact O-N 2.93Å; R1157-R1160 WeakPolarHBondContact CA-O 3.42Å; R1160-M1163 HydrophobicContact CB-CG 4.05Å; R1160-M1163 HydrophobicContact CB-SD 4.39Å; R1160-M1163 WeakPolarHBondContact O-CG 3.46Å
1161M98.1Very high96.9Very high6 Ų639.5 Ų39.53%0.0319%0.192CC..THydrogen-bonded Turntrans-55.4150.917957.1178.874.200112.9K919 V943 Y945 V1125 M1163K919-M1161 HydrophobicContact CB-CB 3.68Å; V943-M1161 HydrophobicContact CG2-CE 3.57Å; V943-M1161 HydrophobicContact CG2-SD 3.96Å; V943-M1161 WeakPolarHBondContact O-CE 3.47Å; V943-M1161 WeakPolarHBondContact O-CG 3.29Å; Y945-M1161 HydrophobicContact CD1-CE 4.04Å; Y945-M1161 HydrophobicContact CE1-CB 4.3Å; Y945-M1161 HydrophobicContact CE1-CE 3.73Å; Y945-M1161 WeakPolarHBondContact OH-CA 3.07Å; Y945-M1161 PolarHBondContact OH-N 3.28Å; V1125-M1161 WeakPolarHBondContact CG1-O 3.17Å; M1161-M1163 PolarHBondContact O-N 3.18Å; M1161-M1163 VanDerWaalsContact O-N 3.11Å
1162F97.9Very high97Very high58 Ų5833.7 Ų33.725%0.25416%0.164SC..THydrogen-bonded Turntrans59.417.9173-53.1-73.3000116.7K918 E941 V942 V1125 I1164 Q1165K918-F1162 HydrophobicContact CB-CD1 3.75Å; K918-F1162 HydrophobicContact CB-CE1 3.71Å; K918-F1162 PolarHBondContact O-N 2.84Å; E941-F1162 WeakPolarHBondContact O-CE2 3.24Å; V942-F1162 HydrophobicContact CG2-CD2 4.15Å; V1125-F1162 HydrophobicContact CB-CB 4.49Å; V1125-F1162 WeakPolarHBondContact CB-O 3.24Å; V1125-F1162 HydrophobicContact CG2-CB 4.21Å; F1162-I1164 CarbonylContact O-C 3.6Å; F1162-I1164 PolarHBondContact O-N 3.41Å; F1162-Q1165 HydrophobicContact CB-CG 4.3Å; F1162-Q1165 WeakPolarHBondContact O-CG 3.37Å
1163M98.3Very high97Very high0 Ų033 Ų330%016%0.16CC..SBendtrans-54.5127.6171.5-70.5-74.1-86.200110.1V1125 T1128 I1132 L1153 L1156 R1157 R1160 M1161V1125-M1163 HydrophobicContact CB-SD 4.33Å; V1125-M1163 HydrophobicContact CG1-SD 4.41Å; V1125-M1163 CarbonylContact O-C 3Å; V1125-M1163 WeakPolarHBondContact O-CA 3.46Å; T1128-M1163 HydrophobicContact CG2-CE 4.5Å; T1128-M1163 HydrophobicContact CG2-SD 4.47Å; I1132-M1163 HydrophobicContact CB-CE 4.45Å; I1132-M1163 HydrophobicContact CD1-CE 4.1Å; L1153-M1163 HydrophobicContact CD1-CB 4.27Å; L1153-M1163 WeakPolarHBondContact CD1-O 3.37Å; L1156-M1163 HydrophobicContact CB-CB 4.36Å; L1156-M1163 HydrophobicContact CB-CE 4.37Å; L1156-M1163 HydrophobicContact CB-CG 4.46Å; L1156-M1163 HydrophobicContact CD1-CE 4.49Å; R1157-M1163 HydrophobicContact CG-CB 3.94Å; R1157-M1163 PolarHBondContact NE-O 3.06Å; R1157-M1163 PolarHBondContact NH2-O 2.92Å; R1157-M1163 VanDerWaalsContact NH2-O 3.14Å; R1160-M1163 HydrophobicContact CB-CG 4.05Å; R1160-M1163 HydrophobicContact CB-SD 4.39Å; R1160-M1163 WeakPolarHBondContact O-CG 3.46Å; M1161-M1163 PolarHBondContact O-N 3.18Å; M1161-M1163 VanDerWaalsContact O-N 3.11Å
1164I98Very high96.9Very high0 Ų033 Ų330%016%0.16CC..SBendtrans53.8109.9-163.1-58.2-173000111.4Y913 V1125 G1129 V1130 L1133 L1153 R1157 F1162 Q1169 Y1170 V1173Y913-I1164 HydrophobicContact CE2-CG2 3.85Å; Y913-I1164 PolarHBondContact OH-O 2.85Å; V1125-I1164 PolarHBondContact O-N 2.98Å; G1129-I1164 VanDerWaalsContact C-CG1 3.45Å; V1130-I1164 HydrophobicContact CG2-CD1 4.19Å; V1130-I1164 HydrophobicContact CG2-CG1 4.09Å; L1133-I1164 HydrophobicContact CB-CD1 4.14Å; L1133-I1164 HydrophobicContact CD2-CD1 3.48Å; L1133-I1164 VanDerWaalsContact CD2-CD1 3.48Å; L1133-I1164 HydrophobicContact CG-CD1 4.45Å; L1153-I1164 HydrophobicContact CD1-CB 4.05Å; L1153-I1164 HydrophobicContact CD1-CD1 3.99Å; L1153-I1164 HydrophobicContact CD1-CG1 3.94Å; L1153-I1164 HydrophobicContact CD2-CB 4.17Å; L1153-I1164 HydrophobicContact CD2-CD1 4.27Å; R1157-I1164 PolarHBondContact NH2-O 3.47Å; F1162-I1164 CarbonylContact O-C 3.6Å; F1162-I1164 PolarHBondContact O-N 3.41Å; I1164-Q1169 HydrophobicContact CG2-CB 3.76Å; I1164-Y1170 HydrophobicContact CD1-CD2 4.23Å; I1164-Y1170 HydrophobicContact CG2-CD2 4.38Å; I1164-V1173 HydrophobicContact CD1-CG2 3.84Å
1165Q94.9Very high96.8Very high90 Ų9031 Ų3142%0.42116%0.156SC..  trans-97-25.1-172.9-76.7-154.94600114.7Y913 V1125 F1162Y913-Q1165 WeakPolarHBondContact OH-CA 3.22Å; Y913-Q1165 PolarHBondContact OH-O 2.94Å; V1125-Q1165 HydrophobicContact CG2-CG 4.05Å; F1162-Q1165 HydrophobicContact CB-CG 4.3Å; F1162-Q1165 WeakPolarHBondContact O-CG 3.37Å
1166T95.1Very high96.8Very high59 Ų5927.7 Ų27.736%0.36214%0.139SC..SBendtrans-123.9152.8-176.470.60000112.6Y913 A1168 Q1169 Y1170Y913-T1166 PolarHBondContact OH-N 3.03Å; T1166-A1168 PolarHBondContact O-N 3.25Å; T1166-Q1169 WeakPolarHBondContact O-CB 3.07Å; T1166-Q1169 PolarHBondContact O-N 3.42Å; T1166-Q1169 VanDerWaalsContact O-N 3.11Å; T1166-Q1169 WeakPolarHBondContact OG1-CG 3.14Å; T1166-Q1169 PolarHBondContact OG1-N 3.22Å; T1166-Q1169 VanDerWaalsContact OG1-N 3.14Å; T1166-Y1170 PolarHBondContact O-N 2.8Å; T1166-Y1170 VanDerWaalsContact O-N 3.09Å
1167I94.4Very high96.6Very high48 Ų4827.7 Ų27.725%0.24614%0.139CC..Hα-helixtrans-60.4-31171.1-179.157.9000112V909 F910 Y913 Y1170 K1171V909-I1167 WeakPolarHBondContact O-CD1 3.37Å; F910-I1167 HydrophobicContact CB-CD1 4.39Å; F910-I1167 HydrophobicContact CD2-CG1 4.16Å; Y913-I1167 HydrophobicContact CD1-CB 4.17Å; Y913-I1167 HydrophobicContact CD1-CD1 4.34Å; Y913-I1167 HydrophobicContact CG-CD1 4.22Å; I1167-Y1170 HydrophobicContact CD1-CD1 4.38Å; I1167-Y1170 PolarHBondContact O-N 3.38Å; I1167-K1171 HydrophobicContact CD1-CG 4.13Å; I1167-K1171 HydrophobicContact CG1-CD 4.41Å; I1167-K1171 HydrophobicContact CG1-CG 4.27Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.32Å; I1167-K1171 PolarHBondContact O-N 2.82Å
1168A94.7Very high96.4Very high37 Ų3728.3 Ų28.331%0.30614%0.142SC..Hα-helixtrans-62.3-43.3173.500000111.5C1082 T1166 Y1170 K1171 F1172C1082-A1168 PolarHBondContact SG-O 3.46Å; T1166-A1168 PolarHBondContact O-N 3.25Å; A1168-Y1170 VanDerWaalsContact C-N 3.33Å; A1168-Y1170 PolarHBondContact O-N 2.64Å; A1168-K1171 PolarHBondContact O-N 3.13Å; A1168-F1172 WeakPolarHBondContact O-CB 3.28Å; A1168-F1172 PolarHBondContact O-N 2.81Å
1169Q96.4Very high96.2Very high22 Ų2228.2 Ų28.210%0.10314%0.142CC..Hα-helixtrans-63.9-38175.3-75.9164.88.100111.9W1077 C1082 V1130 I1164 T1166 F1172 V1173W1077-Q1169 HydrophobicContact CZ2-CG 4.04Å; C1082-Q1169 PolarHBondContact SG-N 2.86Å; V1130-Q1169 HydrophobicContact CG2-CB 3.6Å; V1130-Q1169 HydrophobicContact CG2-CG 4.02Å; I1164-Q1169 HydrophobicContact CG2-CB 3.76Å; T1166-Q1169 WeakPolarHBondContact O-CB 3.07Å; T1166-Q1169 PolarHBondContact O-N 3.42Å; T1166-Q1169 VanDerWaalsContact O-N 3.11Å; T1166-Q1169 WeakPolarHBondContact OG1-CG 3.14Å; T1166-Q1169 PolarHBondContact OG1-N 3.22Å; T1166-Q1169 VanDerWaalsContact OG1-N 3.14Å; Q1169-F1172 PolarHBondContact O-N 2.95Å; Q1169-V1173 PolarHBondContact O-N 3.47Å
1170Y96.6Very high95.9Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-71.6-42177.1-165.1-114.1000112.9V909 E912 Y913 I916 L1133 V1149 P1150 L1153 I1164 T1166 I1167 A1168 F1172 V1173 Y1174V909-Y1170 HydrophobicContact CB-CD1 4.44Å; E912-Y1170 VanDerWaalsContact OE1-CE1 3.23Å; E912-Y1170 WeakPolarHBondContact OE1-CE1 3.17Å; E912-Y1170 PolarHBondContact OE1-OH 2.6Å; Y913-Y1170 HydrophobicContact CD2-CD1 4.01Å; Y913-Y1170 AromaticContact CD2-CD2 3.95Å; Y913-Y1170 HydrophobicContact CD2-CD2 3.95Å; Y913-Y1170 AromaticContact CD2-CG 3.6Å; Y913-Y1170 HydrophobicContact CD2-CG 3.6Å; Y913-Y1170 HydrophobicContact CE2-CG 4.47Å; Y913-Y1170 HydrophobicContact CG-CD1 4.18Å; Y913-Y1170 HydrophobicContact CG-CG 4.17Å; I916-Y1170 HydrophobicContact CD1-CE2 4.41Å; L1133-Y1170 HydrophobicContact CD2-CE2 4.3Å; V1149-Y1170 HydrophobicContact CG1-CE2 3.83Å; P1150-Y1170 WeakPolarHBondContact CA-OH 3.27Å; P1150-Y1170 WeakPolarHBondContact CD-OH 3.43Å; L1153-Y1170 HydrophobicContact CB-CE2 4.39Å; L1153-Y1170 HydrophobicContact CD2-CD2 3.6Å; L1153-Y1170 HydrophobicContact CD2-CE2 3.46Å; L1153-Y1170 VanDerWaalsContact CD2-CE2 3.46Å; I1164-Y1170 HydrophobicContact CD1-CD2 4.23Å; I1164-Y1170 HydrophobicContact CG2-CD2 4.38Å; T1166-Y1170 PolarHBondContact O-N 2.8Å; T1166-Y1170 VanDerWaalsContact O-N 3.09Å; I1167-Y1170 HydrophobicContact CD1-CD1 4.38Å; I1167-Y1170 PolarHBondContact O-N 3.38Å; A1168-Y1170 VanDerWaalsContact C-N 3.33Å; A1168-Y1170 PolarHBondContact O-N 2.64Å; Y1170-F1172 VanDerWaalsContact C-N 3.28Å; Y1170-F1172 PolarHBondContact O-N 3.28Å; Y1170-V1173 PolarHBondContact O-N 2.97Å; Y1170-Y1174 HydrophobicContact CD1-CD2 4.46Å; Y1170-Y1174 HydrophobicContact CD1-CE2 4.34Å; Y1170-Y1174 HydrophobicContact CE1-CD2 4.27Å; Y1170-Y1174 AromaticContact CE1-CE2 3.72Å; Y1170-Y1174 HydrophobicContact CE1-CE2 3.72Å; Y1170-Y1174 AromaticContact CZ-CE2 3.9Å; Y1170-Y1174 PolarHBondContact O-N 2.69Å
1171K95.2Very high95.5Very high77 Ų7728.2 Ų28.234%0.33514%0.141SC..Hα-helixtrans-59.6-38.6171-77.3-171.6172.6-166.10112L904 V909 I1167 A1168 V1173 Y1174 Q1175L904-K1171 HydrophobicContact CD1-CB 4.17Å; L904-K1171 HydrophobicContact CD1-CD 4.27Å; L904-K1171 HydrophobicContact CD1-CG 3.93Å; V909-K1171 HydrophobicContact CG2-CD 4.38Å; V909-K1171 HydrophobicContact CG2-CG 3.87Å; I1167-K1171 HydrophobicContact CD1-CG 4.13Å; I1167-K1171 HydrophobicContact CG1-CD 4.41Å; I1167-K1171 HydrophobicContact CG1-CG 4.27Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.32Å; I1167-K1171 PolarHBondContact O-N 2.82Å; A1168-K1171 PolarHBondContact O-N 3.13Å; K1171-V1173 PolarHBondContact O-N 3.4Å; K1171-Y1174 CarbonylContact O-C 3.59Å; K1171-Y1174 WeakPolarHBondContact O-CA 3.2Å; K1171-Y1174 WeakPolarHBondContact O-CB 3.34Å; K1171-Y1174 PolarHBondContact O-N 2.81Å; K1171-Y1174 VanDerWaalsContact O-N 3.12Å; K1171-Q1175 WeakPolarHBondContact O-CG 3.44Å; K1171-Q1175 PolarHBondContact O-N 3.18Å; K1171-Q1175 PolarHBondContact O-OE1 3.38Å
1172F97.1Very high95Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-65.3-37.1177.7-173.8-100.5000112.5W1077 C1082 P1083 V1086 F1089 V1130 A1168 Q1169 Y1170 Y1174 Q1175 V1176W1077-F1172 HydrophobicContact CH2-CD1 4.42Å; C1082-F1172 HydrophobicContact CB-CB 3.84Å; C1082-F1172 HydrophobicContact CB-CD2 3.72Å; C1082-F1172 HydrophobicContact CB-CE2 4.44Å; C1082-F1172 HydrophobicContact CB-CG 3.79Å; P1083-F1172 HydrophobicContact CB-CE2 3.96Å; P1083-F1172 HydrophobicContact CB-CZ 3.92Å; P1083-F1172 HydrophobicContact CG-CE1 4.36Å; P1083-F1172 HydrophobicContact CG-CE2 4.17Å; P1083-F1172 HydrophobicContact CG-CZ 3.78Å; P1083-F1172 VanDerWaalsContact O-CE2 3.26Å; P1083-F1172 WeakPolarHBondContact O-CE2 3.42Å; V1086-F1172 HydrophobicContact CG2-CE2 4.01Å; F1089-F1172 HydrophobicContact CB-CE1 4.14Å; F1089-F1172 HydrophobicContact CB-CZ 3.82Å; F1089-F1172 AromaticContact CD1-CE1 3.71Å; F1089-F1172 HydrophobicContact CD1-CE1 3.71Å; F1089-F1172 HydrophobicContact CD1-CZ 4.23Å; F1089-F1172 HydrophobicContact CD2-CE1 4.13Å; F1089-F1172 HydrophobicContact CD2-CZ 4.49Å; F1089-F1172 HydrophobicContact CE1-CE1 4.11Å; F1089-F1172 AromaticContact CG-CE1 3.71Å; F1089-F1172 HydrophobicContact CG-CE1 3.71Å; F1089-F1172 AromaticContact CG-CZ 3.93Å; F1089-F1172 HydrophobicContact CG-CZ 3.93Å; F1089-F1172 HydrophobicContact CZ-CE1 4.5Å; V1130-F1172 HydrophobicContact CG1-CD1 3.9Å; V1130-F1172 HydrophobicContact CG1-CE1 4.38Å; A1168-F1172 WeakPolarHBondContact O-CB 3.28Å; A1168-F1172 PolarHBondContact O-N 2.81Å; Q1169-F1172 PolarHBondContact O-N 2.95Å; Y1170-F1172 VanDerWaalsContact C-N 3.28Å; Y1170-F1172 PolarHBondContact O-N 3.28Å; F1172-Y1174 VanDerWaalsContact C-N 3.33Å; F1172-Y1174 PolarHBondContact O-N 2.89Å; F1172-Q1175 PolarHBondContact O-N 3.16Å; F1172-Q1175 VanDerWaalsContact O-N 3.17Å; F1172-V1176 HydrophobicContact CD1-CG2 3.96Å; F1172-V1176 HydrophobicContact CE1-CG2 3.62Å; F1172-V1176 HydrophobicContact CZ-CG2 3.93Å; F1172-V1176 VanDerWaalsContact O-CG2 3.3Å; F1172-V1176 WeakPolarHBondContact O-CG2 3.14Å; F1172-V1176 PolarHBondContact O-N 2.74Å
1173V97.5Very high94.4Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-58.6-45.6169.4175.60000110.8V1130 L1133 V1149 I1164 Q1169 Y1170 K1171 Q1175 V1176 L1177V1130-V1173 HydrophobicContact CB-CG2 4.21Å; V1130-V1173 HydrophobicContact CG1-CG2 3.82Å; V1130-V1173 HydrophobicContact CG2-CG2 4.2Å; L1133-V1173 HydrophobicContact CD2-CG1 4.01Å; L1133-V1173 HydrophobicContact CD2-CG2 4.29Å; L1133-V1173 HydrophobicContact CG-CG1 4.07Å; V1149-V1173 HydrophobicContact CG1-CG1 4.4Å; I1164-V1173 HydrophobicContact CD1-CG2 3.84Å; Q1169-V1173 PolarHBondContact O-N 3.47Å; Y1170-V1173 PolarHBondContact O-N 2.97Å; K1171-V1173 PolarHBondContact O-N 3.4Å; V1173-Q1175 VanDerWaalsContact C-N 3.33Å; V1173-Q1175 PolarHBondContact O-N 3.03Å; V1173-V1176 PolarHBondContact O-N 2.68Å; V1173-L1177 HydrophobicContact CG1-CD1 3.93Å; V1173-L1177 HydrophobicContact CG1-CG 4.38Å; V1173-L1177 VanDerWaalsContact O-CG 3.29Å; V1173-L1177 WeakPolarHBondContact O-CG 3.43Å; V1173-L1177 PolarHBondContact O-N 2.89Å
1174Y95.6Very high93.4Very high1 Ų134.5 Ų34.50%0.00418%0.18CC..Hα-helixtrans-58.9-42174.2-91-93.1000112.5L900 K903 V909 E912 V1149 Y1170 K1171 F1172 L1177 I1178L900-Y1174 HydrophobicContact CB-CD1 4.37Å; L900-Y1174 HydrophobicContact CB-CE1 4.5Å; L900-Y1174 HydrophobicContact CD2-CD1 3.91Å; L900-Y1174 HydrophobicContact CD2-CE1 3.51Å; K903-Y1174 HydrophobicContact CB-CE1 3.96Å; K903-Y1174 HydrophobicContact CD-CE1 4.01Å; K903-Y1174 WeakPolarHBondContact CD-OH 3.2Å; V909-Y1174 HydrophobicContact CG1-CD1 4.08Å; V909-Y1174 HydrophobicContact CG1-CD2 3.71Å; V909-Y1174 HydrophobicContact CG1-CE1 4.01Å; V909-Y1174 HydrophobicContact CG1-CE2 3.63Å; V909-Y1174 HydrophobicContact CG1-CG 3.94Å; E912-Y1174 PolarHBondContact OE1-OH 3.17Å; V1149-Y1174 HydrophobicContact CB-CE2 4Å; V1149-Y1174 HydrophobicContact CG1-CD2 4.45Å; V1149-Y1174 HydrophobicContact CG1-CE2 3.83Å; V1149-Y1174 HydrophobicContact CG2-CE1 4.46Å; V1149-Y1174 HydrophobicContact CG2-CE2 4.16Å; Y1170-Y1174 HydrophobicContact CD1-CD2 4.46Å; Y1170-Y1174 HydrophobicContact CD1-CE2 4.34Å; Y1170-Y1174 HydrophobicContact CE1-CD2 4.27Å; Y1170-Y1174 AromaticContact CE1-CE2 3.72Å; Y1170-Y1174 HydrophobicContact CE1-CE2 3.72Å; Y1170-Y1174 AromaticContact CZ-CE2 3.9Å; Y1170-Y1174 PolarHBondContact O-N 2.69Å; K1171-Y1174 CarbonylContact O-C 3.59Å; K1171-Y1174 WeakPolarHBondContact O-CA 3.2Å; K1171-Y1174 WeakPolarHBondContact O-CB 3.34Å; K1171-Y1174 PolarHBondContact O-N 2.81Å; K1171-Y1174 VanDerWaalsContact O-N 3.12Å; F1172-Y1174 VanDerWaalsContact C-N 3.33Å; F1172-Y1174 PolarHBondContact O-N 2.89Å; Y1174-L1177 PolarHBondContact O-N 2.78Å; Y1174-I1178 WeakPolarHBondContact O-CB 3.45Å; Y1174-I1178 VanDerWaalsContact O-CD1 3.32Å; Y1174-I1178 WeakPolarHBondContact O-CD1 3.37Å; Y1174-I1178 WeakPolarHBondContact O-CG1 3.45Å; Y1174-I1178 PolarHBondContact O-N 2.98Å
1175Q95.4Very high91.4Very high80 Ų8038.2 Ų38.237%0.37419%0.194SC..Hα-helixtrans-63.5-44.1176.2-68.4168.2-89.800112.1L904 V1086 K1171 F1172 V1173 L1177 I1178 Q1179L904-Q1175 HydrophobicContact CD2-CG 3.86Å; V1086-Q1175 HydrophobicContact CG2-CB 4.26Å; K1171-Q1175 WeakPolarHBondContact O-CG 3.44Å; K1171-Q1175 PolarHBondContact O-N 3.18Å; K1171-Q1175 PolarHBondContact O-OE1 3.38Å; F1172-Q1175 PolarHBondContact O-N 3.16Å; F1172-Q1175 VanDerWaalsContact O-N 3.17Å; V1173-Q1175 VanDerWaalsContact C-N 3.33Å; V1173-Q1175 PolarHBondContact O-N 3.03Å; Q1175-L1177 PolarHBondContact O-N 3.27Å; Q1175-I1178 PolarHBondContact O-N 3.22Å; Q1175-Q1179 WeakPolarHBondContact O-CB 3.29Å; Q1175-Q1179 PolarHBondContact O-N 2.96Å
1176V96.5Very high88.7Confident0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-59.1-44.6175.71700000111.3V1086 F1089 L1090 L1093 I1138 F1172 V1173 Q1179 F1180V1086-V1176 HydrophobicContact CG1-CB 4.38Å; V1086-V1176 HydrophobicContact CG1-CG2 3.9Å; F1089-V1176 HydrophobicContact CD1-CG1 4.39Å; F1089-V1176 HydrophobicContact CD1-CG2 3.73Å; F1089-V1176 HydrophobicContact CE1-CG2 4.31Å; L1090-V1176 HydrophobicContact CD2-CG1 3.68Å; L1090-V1176 HydrophobicContact CG-CG1 4.25Å; L1093-V1176 HydrophobicContact CD1-CG1 4.36Å; I1138-V1176 HydrophobicContact CD1-CG1 4.22Å; F1172-V1176 HydrophobicContact CD1-CG2 3.96Å; F1172-V1176 HydrophobicContact CE1-CG2 3.62Å; F1172-V1176 HydrophobicContact CZ-CG2 3.93Å; F1172-V1176 VanDerWaalsContact O-CG2 3.3Å; F1172-V1176 WeakPolarHBondContact O-CG2 3.14Å; F1172-V1176 PolarHBondContact O-N 2.74Å; V1173-V1176 PolarHBondContact O-N 2.68Å; V1176-Q1179 PolarHBondContact O-N 2.82Å; V1176-F1180 VanDerWaalsContact O-CB 3.3Å; V1176-F1180 WeakPolarHBondContact O-CB 3.41Å; V1176-F1180 PolarHBondContact O-N 2.84Å
1177L94.7Very high85.6Confident0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-70.5-34.2178.6-62.9171.5000113.2L900 M1137 I1138 L1141 V1149 V1173 Y1174 Q1175 L1181L900-L1177 HydrophobicContact CD1-CB 4.22Å; M1137-L1177 HydrophobicContact CB-CD1 3.68Å; M1137-L1177 HydrophobicContact CB-CD2 3.48Å; M1137-L1177 VanDerWaalsContact CB-CD2 3.48Å; M1137-L1177 HydrophobicContact CB-CG 4.19Å; M1137-L1177 HydrophobicContact CE-CD1 4.42Å; M1137-L1177 HydrophobicContact CG-CD1 4.08Å; I1138-L1177 HydrophobicContact CG1-CD2 3.79Å; L1141-L1177 HydrophobicContact CD1-CB 4.11Å; L1141-L1177 HydrophobicContact CD1-CD2 3.72Å; L1141-L1177 HydrophobicContact CD1-CG 4.41Å; V1149-L1177 HydrophobicContact CG2-CD1 4.05Å; V1173-L1177 HydrophobicContact CG1-CD1 3.93Å; V1173-L1177 HydrophobicContact CG1-CG 4.38Å; V1173-L1177 VanDerWaalsContact O-CG 3.29Å; V1173-L1177 WeakPolarHBondContact O-CG 3.43Å; V1173-L1177 PolarHBondContact O-N 2.89Å; Y1174-L1177 PolarHBondContact O-N 2.78Å; Q1175-L1177 PolarHBondContact O-N 3.27Å; L1177-L1181 WeakPolarHBondContact O-CB 3.32Å; L1177-L1181 WeakPolarHBondContact O-CG 3.36Å; L1177-L1181 PolarHBondContact O-N 2.91Å; L1177-L1181 VanDerWaalsContact O-N 3.15Å
1178I92.9Very high85.2Confident16 Ų1649 Ų498%0.08225%0.248CC..Hα-helixtrans-67.5-46.2174.6-74.6165.6000110.1F897 L900 K901 L904 Y1174 Q1175 L1181 Q1182F897-I1178 HydrophobicContact CD2-CG2 4.47Å; F897-I1178 HydrophobicContact CE2-CB 4.43Å; F897-I1178 HydrophobicContact CE2-CG2 3.66Å; F897-I1178 HydrophobicContact CZ-CG2 4.24Å; L900-I1178 HydrophobicContact CB-CD1 4.36Å; L900-I1178 HydrophobicContact CB-CG1 3.92Å; K901-I1178 HydrophobicContact CB-CD1 4.31Å; L904-I1178 HydrophobicContact CB-CD1 4.2Å; L904-I1178 HydrophobicContact CD2-CD1 3.64Å; Y1174-I1178 WeakPolarHBondContact O-CB 3.45Å; Y1174-I1178 VanDerWaalsContact O-CD1 3.32Å; Y1174-I1178 WeakPolarHBondContact O-CD1 3.37Å; Y1174-I1178 WeakPolarHBondContact O-CG1 3.45Å; Y1174-I1178 PolarHBondContact O-N 2.98Å; Q1175-I1178 PolarHBondContact O-N 3.22Å; I1178-L1181 PolarHBondContact O-N 3.18Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.48Å; I1178-Q1182 PolarHBondContact O-N 3.34Å; I1178-Q1182 VanDerWaalsContact O-N 3.1Å; I1178-Q1182 PolarHBondContact O-OE1 3.39Å
1179Q93.3Very high84.7Confident59 Ų5949.6 Ų49.628%0.27625%0.245SC..Hα-helixtrans-65.9-42.9177.7-173.362.955.900111.8V1086 L1090 Q1175 V1176 L1181 Q1182 N1183V1086-Q1179 HydrophobicContact CG1-CB 3.7Å; V1086-Q1179 HydrophobicContact CG1-CG 4.07Å; L1090-Q1179 HydrophobicContact CD1-CB 4.02Å; L1090-Q1179 HydrophobicContact CD1-CG 3.72Å; Q1175-Q1179 WeakPolarHBondContact O-CB 3.29Å; Q1175-Q1179 PolarHBondContact O-N 2.96Å; V1176-Q1179 PolarHBondContact O-N 2.82Å; Q1179-L1181 PolarHBondContact O-N 3.05Å; Q1179-Q1182 WeakPolarHBondContact O-CA 3.41Å; Q1179-Q1182 WeakPolarHBondContact O-CB 3.04Å; Q1179-Q1182 PolarHBondContact O-N 2.69Å; Q1179-N1183 PolarHBondContact NE2-OD1 3.28Å; Q1179-N1183 PolarHBondContact O-N 2.78Å; Q1179-N1183 PolarHBondContact O-OD1 2.95Å
1180F93Very high84.1Confident30 Ų3051.1 Ų51.113%0.13225%0.253CS..Hα-helixtrans-53.1-52.5173178.8-101000111.1L1090 I1138 L1141 E1142 V1176 Q1182 N1183 S1184L1090-F1180 HydrophobicContact CD2-CB 4.08Å; L1090-F1180 HydrophobicContact CD2-CD2 4.28Å; I1138-F1180 HydrophobicContact CD1-CD2 4.31Å; I1138-F1180 HydrophobicContact CD1-CG 4.48Å; I1138-F1180 HydrophobicContact CG1-CB 4.48Å; I1138-F1180 HydrophobicContact CG1-CD1 4.36Å; I1138-F1180 HydrophobicContact CG1-CD2 4.28Å; I1138-F1180 HydrophobicContact CG1-CG 4.11Å; I1138-F1180 HydrophobicContact CG2-CD1 4.4Å; I1138-F1180 HydrophobicContact CG2-CD2 4.08Å; I1138-F1180 HydrophobicContact CG2-CE1 4.03Å; I1138-F1180 HydrophobicContact CG2-CE2 3.68Å; I1138-F1180 HydrophobicContact CG2-CG 4.43Å; I1138-F1180 HydrophobicContact CG2-CZ 3.66Å; L1141-F1180 HydrophobicContact CB-CE1 4.44Å; L1141-F1180 HydrophobicContact CD1-CD1 4.43Å; E1142-F1180 HydrophobicContact CG-CE1 4.01Å; E1142-F1180 HydrophobicContact CG-CZ 3.63Å; V1176-F1180 VanDerWaalsContact O-CB 3.3Å; V1176-F1180 WeakPolarHBondContact O-CB 3.41Å; V1176-F1180 PolarHBondContact O-N 2.84Å; F1180-Q1182 PolarHBondContact O-N 3Å; F1180-Q1182 VanDerWaalsContact O-N 3.17Å; F1180-N1183 WeakPolarHBondContact O-CB 3.44Å; F1180-N1183 PolarHBondContact O-N 2.99Å; F1180-N1183 VanDerWaalsContact O-N 3.09Å; F1180-S1184 PolarHBondContact O-N 2.88Å; F1180-S1184 PolarHBondContact O-OG 3.44Å
1181L89.3Confident83.3Confident9 Ų954.1 Ų54.15%0.04727%0.268CS..Hα-helixtrans-67-12.4177.1-71.1174.6000114.7F897 L900 L1141 L1177 I1178 Q1179 R1185F897-L1181 HydrophobicContact CB-CD1 4.15Å; F897-L1181 HydrophobicContact CD2-CB 3.92Å; L900-L1181 HydrophobicContact CD1-CD1 3.73Å; L1141-L1181 HydrophobicContact CB-CD2 4.39Å; L1141-L1181 HydrophobicContact CD1-CD1 3.97Å; L1141-L1181 HydrophobicContact CD1-CD2 4.25Å; L1141-L1181 HydrophobicContact CD1-CG 3.98Å; L1141-L1181 HydrophobicContact CD2-CD1 4.16Å; L1141-L1181 HydrophobicContact CD2-CD2 4.46Å; L1177-L1181 WeakPolarHBondContact O-CB 3.32Å; L1177-L1181 WeakPolarHBondContact O-CG 3.36Å; L1177-L1181 PolarHBondContact O-N 2.91Å; L1177-L1181 VanDerWaalsContact O-N 3.15Å; I1178-L1181 PolarHBondContact O-N 3.18Å; Q1179-L1181 PolarHBondContact O-N 3.05Å; L1181-R1185 WeakPolarHBondContact O-CD 3.25Å; L1181-R1185 WeakPolarHBondContact O-CG 3.44Å; L1181-R1185 PolarHBondContact O-NE 3.27Å
1182Q87.8Confident82.6Confident86 Ų8652.7 Ų52.740%0.40226%0.264SS..Hα-helixtrans-83.2-43.1168.7-72.3169.8-100.800110.6F897 I1178 Q1179 F1180 R1185F897-Q1182 HydrophobicContact CD2-CG 4.44Å; F897-Q1182 HydrophobicContact CE2-CG 3.54Å; F897-Q1182 HydrophobicContact CZ-CG 3.99Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.48Å; I1178-Q1182 PolarHBondContact O-N 3.34Å; I1178-Q1182 VanDerWaalsContact O-N 3.1Å; I1178-Q1182 PolarHBondContact O-OE1 3.39Å; Q1179-Q1182 WeakPolarHBondContact O-CA 3.41Å; Q1179-Q1182 WeakPolarHBondContact O-CB 3.04Å; Q1179-Q1182 PolarHBondContact O-N 2.69Å; F1180-Q1182 PolarHBondContact O-N 3Å; F1180-Q1182 VanDerWaalsContact O-N 3.17Å; Q1182-R1185 PolarHBondContact O-N 2.88Å
1183N86.3Confident81.6Confident55 Ų5556.2 Ų56.229%0.29428%0.282SS..Hα-helixtrans-61.9-44176.2-60.43.1000110.8Q1087 Q1179 F1180 R1185 L1186Q1087-N1183 PolarHBondContact OE1-ND2 3.29Å; Q1179-N1183 PolarHBondContact NE2-OD1 3.28Å; Q1179-N1183 PolarHBondContact O-N 2.78Å; Q1179-N1183 PolarHBondContact O-OD1 2.95Å; F1180-N1183 WeakPolarHBondContact O-CB 3.44Å; F1180-N1183 PolarHBondContact O-N 2.99Å; F1180-N1183 VanDerWaalsContact O-N 3.09Å; N1183-R1185 PolarHBondContact O-N 3.32Å; N1183-L1186 PolarHBondContact O-N 3.33Å
1184S76.3Confident80.5Confident56 Ų5660.2 Ų60.239%0.39230%0.302SS..THydrogen-bonded Turntrans-68.43.6176.8-45.20000115.3F1180F1180-S1184 PolarHBondContact O-N 2.88Å; F1180-S1184 PolarHBondContact O-OG 3.44Å
1185R55.5Low79.3Confident78 Ų7864.8 Ų64.829%0.29433%0.325SS..THydrogen-bonded Turntrans-117.517.3-179.2-72.6178.7-177.1-165.8-0.6113.6M893 D894 L1181 Q1182 N1183 I1187M893-R1185 PolarHBondContact SD-NH1 3.11Å; D894-R1185 VanDerWaalsContact CA-NH2 3.31Å; D894-R1185 PolarHBondContact O-NH2 2.88Å; D894-R1185 IonicContact OD2-CZ 3.81Å; D894-R1185 IonicContact OD2-NH2 2.74Å; D894-R1185 PolarHBondContact OD2-NH2 3.44Å; L1181-R1185 WeakPolarHBondContact O-CD 3.25Å; L1181-R1185 WeakPolarHBondContact O-CG 3.44Å; L1181-R1185 PolarHBondContact O-NE 3.27Å; Q1182-R1185 PolarHBondContact O-N 2.88Å; N1183-R1185 PolarHBondContact O-N 3.32Å; R1185-I1187 VanDerWaalsContact C-N 3.34Å
1186L38.7Very low78Confident156 Ų15663.5 Ų63.582%0.81732%0.321SS*.  trans-101.825.7171-75.1163.1000111.8N1183N1183-L1186 PolarHBondContact O-N 3.33Å
1187I31.5Very low76.3Confident217 Ų21769.3 Ų69.3100%1.11335%0.35SS*.  trans-1280175.7-46.7177.4000107.2R1185R1185-I1187 VanDerWaalsContact C-N 3.34Å

Retrieved 1,187 of 1,187 residues in 276.3 ms (Link to these results)

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