A0A096NU99_PAPAN Loading...

NGFI-A binding protein 2

AlphaFold DB , UniProt , Accession A0A096NU99, Species PAPAN (Papio anubis, Olive baboon), Gene NAB2, Length 525 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low41.8Very low224 Ų224146 Ų146100%1.10380%0.797SS**  0129.80-74170.3135.300108
2H40.4Very low42.9Very low175 Ų175142.3 Ų142.381%0.8179%0.786SS**  trans60.3147.9172.3-59.9-63.8000117.6
3R36.7Very low43.2Very low231 Ų231141.7 Ų141.787%0.87279%0.793SS**  cis-163.9141.4-25.5-163.6-175.1-179.4159.7-2.8106.1
4A47.4Very low42.5Very low82 Ų82136.9 Ų136.968%0.67879%0.791SS**  trans-70.2173.5165.100000109.8
5P53.1Low41.8Very low118 Ų118133.8 Ų133.877%0.76680%0.8SS**  cis-150.7174.947.942-20.8000118
6S41.3Very low41.5Very low114 Ų114130.3 Ų130.380%0.79780%0.8SS**  trans-89.8154.8155.7-45.90000110.6
7P51.7Low41.1Very low107 Ų107134.5 Ų134.570%0.69581%0.809SS**  -136.6137.1128.312.110.5000112.7
8T40.9Very low41Very low138 Ų138133.8 Ų133.885%0.84781%0.811SS**  58.9140.794.95.90000115.2
9A39.4Very low40.8Very low71 Ų71131.6 Ų131.659%0.58781%0.808SS**  cis-160.6167.911.500000113.2
10E32.7Very low40.9Very low176 Ų176137.2 Ų137.282%0.82281%0.814SS**  trans56.2154.4147.4-70.8-176.5105.500122.2
11Q40.7Very low40.8Very low170 Ų170142.3 Ų142.379%0.79482%0.819SS**  cis-160.8174.9-30.8-121.4-148.6-19.500108.2
12P55.3Low41Very low101 Ų101137.2 Ų137.266%0.65680%0.801SS**  trans-94.5175.5-163.643-41.6000114.5
13P47.1Very low40.7Very low135 Ų135136.8 Ų136.888%0.87780%0.804SS**  -131.4174.879.223-2000111.9
14G32.7Very low40.6Very low75 Ų75133.4 Ų133.477%0.77380%0.798SS**  cis141.5138600000109.5
15G33Very low40.2Very low90 Ų90134 Ų13493%0.92880%0.795SS**  trans87.9118.917800000114.3
16G36.3Very low39.4Very low77 Ų77140.4 Ų140.479%0.79480%0.804SS**  trans-115.6161.4173.800000111.5
17E34.3Very low39.2Very low203 Ų203142.1 Ų142.195%0.94980%0.803SS**  trans-152.4160154.4-125.6-170.7117.300112
18S39.7Very low38.8Very low122 Ų122146.2 Ų146.285%0.85381%0.81SS**  trans-94116.9-166-170.60000112
19A37.7Very low38.8Very low92 Ų92146 Ų14676%0.7681%0.811SS**  trans-144.8113.1172.100000112.9R21A19-R21 PolarHBondContact O-N 3.41Å
20R42.8Very low38.7Very low243 Ų243148.1 Ų148.192%0.91782%0.821SS**  trans-40.9127.2173-67.2169.3165.2177.9-5.5113
21R38.8Very low39.1Very low244 Ų244144 Ų14492%0.92182%0.818SS**  trans-122.9100.9154.4-75.1-170.8-178.8154.34.3110.9A19 L23A19-R21 PolarHBondContact O-N 3.41Å; R21-L23 PolarHBondContact O-N 3.01Å
22T38.4Very low39.3Very low118 Ų118145 Ų14572%0.72481%0.814SS**  trans-45.7123.3170.4-48.90000111.5Q24T22-Q24 PolarHBondContact O-N 3.39Å
23L35.5Very low38.7Very low166 Ų166144.2 Ų144.287%0.86982%0.817SS**  trans-64.2101.6161.3-74.3164.7000108R21 P25R21-L23 PolarHBondContact O-N 3.01Å; L23-P25 VanDerWaalsContact O-CD 3.32Å; L23-P25 WeakPolarHBondContact O-CD 3.32Å
24Q34.3Very low39.1Very low160 Ų160142.7 Ų142.775%0.74880%0.799SS**  trans-62.9119.8170.3-81.8-80.417.900108.9T22 R26T22-Q24 PolarHBondContact O-N 3.39Å; Q24-R26 PolarHBondContact O-N 3.39Å
25P39Very low40.5Very low95 Ų95140.9 Ų140.962%0.61778%0.777SS**  trans-62.3132.4169-16.731000108.5L23 L27L23-P25 VanDerWaalsContact O-CD 3.32Å; L23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 2.83Å
26R35.3Very low42.4Very low252 Ų252143.5 Ų143.595%0.95177%0.769SS**  trans-66.796.2176.4-162.3176.8-173.1179.61.8108.6Q24 K28Q24-R26 PolarHBondContact O-N 3.39Å; R26-K28 PolarHBondContact O-N 2.99Å
27L38.6Very low44.5Very low150 Ų150141.3 Ų141.379%0.78574%0.741SS**  trans-57.7122.9-176.5-70.7171.1000109.9P25P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 2.83Å
28K43.3Very low46.7Very low192 Ų192142.1 Ų142.184%0.83574%0.735SS**  trans-61.5131.4168.2-61.3173-179.4177.80107.8R26 S30R26-K28 PolarHBondContact O-N 2.99Å; K28-S30 PolarHBondContact O-N 3.23Å
29P39.2Very low49.1Very low134 Ų134139.3 Ų139.387%0.8771%0.713SS**  trans-60.6109.6171.6-23.234.4000110
30S38.9Very low51.3Low115 Ų115140.9 Ų140.980%0.80471%0.708SS**  trans-76.7152.1168.7-172.10000109.6K28K28-S30 PolarHBondContact O-N 3.23Å
31A41Very low53.5Low91 Ų91130 Ų13075%0.75267%0.671SS**  trans55.784.1177.700000115.1A33A31-A33 PolarHBondContact O-N 3.04Å
32R43.4Very low56.1Low189 Ų189119.4 Ų119.471%0.71363%0.632SS**  trans-59.3108.7158.3-174.2177.4-175.3157.53.5107.4M34 E59R32-M34 PolarHBondContact O-N 3.48Å; R32-E59 IonicContact CZ-OE2 2.84Å; R32-E59 IonicContact NE-OE2 2.94Å; R32-E59 PolarHBondContact NE-OE2 3.01Å; R32-E59 IonicContact NH2-OE2 3.32Å; R32-E59 PolarHBondContact NH2-OE2 2.77Å
33A44.1Very low58.6Low86 Ų86117.3 Ų117.371%0.71162%0.616SS**PPolyproline II helixtrans-57.5123.2169.600000107.6A31 A35A31-A33 PolarHBondContact O-N 3.04Å; A33-A35 PolarHBondContact O-N 3.21Å
34M54.2Low61.2Low102 Ų102112.5 Ų112.550%0.50259%0.589SS.*PPolyproline II helixtrans-57.6121.8172.3-66.8-93.1-73.500107.3R32 L36 Y46 L55R32-M34 PolarHBondContact O-N 3.48Å; M34-L36 PolarHBondContact O-N 3.5Å; M34-L36 VanDerWaalsContact O-N 3.09Å; M34-Y46 HydrophobicContact CE-CE2 3.88Å; M34-L55 HydrophobicContact CE-CB 4.36Å; M34-L55 HydrophobicContact CE-CD1 4.22Å
35A63Low64.1Low37 Ų37104.9 Ų104.931%0.30655%0.553SS.*PPolyproline II helixtrans-58.2120.5173.300000108.4A33 Y58 E59A33-A35 PolarHBondContact O-N 3.21Å; A35-Y58 HydrophobicContact CB-CE1 4.35Å; A35-Y58 WeakPolarHBondContact O-CE1 3.5Å; A35-E59 WeakPolarHBondContact CB-OE1 3.29Å; A35-E59 PolarHBondContact N-OE1 3.45Å
36L72.4Confident66.7Low146 Ų146102.5 Ų102.576%0.76453%0.532SS*.PPolyproline II helixtrans-72133177-160.774.3000108.1M34 R38M34-L36 PolarHBondContact O-N 3.5Å; M34-L36 VanDerWaalsContact O-N 3.09Å; L36-R38 WeakPolarHBondContact O-CG 3.17Å; L36-R38 PolarHBondContact O-N 2.95Å
37P80.7Confident69.4Low31 Ų3193.5 Ų93.520%0.20150%0.498CS..PPolyproline II helixtrans-53.3127.4-179.8-28.735.3000113E42 L43 Y46 Y58P37-E42 WeakPolarHBondContact CA-OE2 3.45Å; P37-E42 HydrophobicContact CB-CB 4.06Å; P37-L43 HydrophobicContact CB-CB 3.94Å; P37-L43 HydrophobicContact CB-CD1 4.13Å; P37-L43 HydrophobicContact CG-CD1 4.16Å; P37-Y46 HydrophobicContact CG-CD1 4.33Å; P37-Y46 HydrophobicContact CG-CD2 3.85Å; P37-Y46 HydrophobicContact CG-CG 3.71Å; P37-Y58 WeakPolarHBondContact CA-OH 3.35Å
38R81.5Confident72.1Confident219 Ų21986.3 Ų86.383%0.82646%0.461SS*.  trans-102.8-32.5-175.4-55.1-176.9176-122.3-0.3113L36 E42L36-R38 WeakPolarHBondContact O-CG 3.17Å; L36-R38 PolarHBondContact O-N 2.95Å; R38-E42 PolarHBondContact N-OE2 2.89Å
39T88.2Confident74.5Confident63 Ų6377.2 Ų77.239%0.38742%0.421SS..SBendtrans-107.5167.6176.976.10000111.6G41 E42 L43 D67T39-G41 PolarHBondContact OG1-N 2.68Å; T39-E42 WeakPolarHBondContact OG1-CB 3.42Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 3.3Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 PolarHBondContact O-N 3.28Å; T39-L43 VanDerWaalsContact O-N 3.08Å; T39-D67 PolarHBondContact OG1-OD2 3.02Å; T39-D67 VanDerWaalsContact OG1-OD2 3.13Å
40L85.8Confident77.1Confident125 Ų12574 Ų7465%0.65439%0.394SS*.Hα-helixtrans-65.9-39.1172.9-179.161.1000111.6L43 Q44L40-L43 PolarHBondContact O-N 3.13Å; L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.47Å; L40-Q44 PolarHBondContact O-N 3.36Å
41G88.9Confident79.6Confident14 Ų1473.8 Ų73.814%0.14438%0.376CS..Hα-helixtrans-61.7-52.3174.500000111.5T39 L43 Q44 L45 D67T39-G41 PolarHBondContact OG1-N 2.68Å; G41-L43 PolarHBondContact O-N 3.39Å; G41-L43 VanDerWaalsContact O-N 3.16Å; G41-Q44 PolarHBondContact O-N 3.03Å; G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.29Å; G41-D67 CarbonylContact C-O 3.09Å; G41-D67 WeakPolarHBondContact CA-O 3.41Å
42E92.6Very high82.1Confident22 Ų2269.9 Ų69.910%0.10334%0.344CS..Hα-helixtrans-49.3-44.4172.5-81.6-176.5-132.800111.9P37 R38 T39 Y46 Y58 I62 D67P37-E42 WeakPolarHBondContact CA-OE2 3.45Å; P37-E42 HydrophobicContact CB-CB 4.06Å; R38-E42 PolarHBondContact N-OE2 2.89Å; T39-E42 WeakPolarHBondContact OG1-CB 3.42Å; T39-E42 WeakPolarHBondContact OG1-CG 3.47Å; T39-E42 PolarHBondContact OG1-N 3.3Å; E42-Y46 WeakPolarHBondContact O-CB 3.47Å; E42-Y46 PolarHBondContact O-N 3.49Å; E42-Y58 WeakPolarHBondContact O-CE2 3.24Å; E42-Y58 PolarHBondContact OE2-OH 3.32Å; E42-I62 HydrophobicContact CB-CD1 4.4Å; E42-I62 HydrophobicContact CG-CD1 3.69Å; E42-I62 HydrophobicContact CG-CG1 4.2Å; E42-I62 HydrophobicContact CG-CG2 4.37Å; E42-D67 HydrophobicContact CG-CB 4.16Å
43L90.3Very high84.6Confident75 Ų7566.8 Ų66.839%0.39334%0.341SS..Hα-helixtrans-69.8-41179.6-178.462.6000112.5P37 T39 L40 G41 Y46 R47P37-L43 HydrophobicContact CB-CB 3.94Å; P37-L43 HydrophobicContact CB-CD1 4.13Å; P37-L43 HydrophobicContact CG-CD1 4.16Å; T39-L43 WeakPolarHBondContact O-CB 3.41Å; T39-L43 PolarHBondContact O-N 3.28Å; T39-L43 VanDerWaalsContact O-N 3.08Å; L40-L43 PolarHBondContact O-N 3.13Å; G41-L43 PolarHBondContact O-N 3.39Å; G41-L43 VanDerWaalsContact O-N 3.16Å; L43-Y46 PolarHBondContact O-N 3.22Å; L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.34Å; L43-R47 PolarHBondContact O-N 3.09Å
44Q91.5Very high87.1Confident64 Ų6462.7 Ų62.730%0.29931%0.308SS..Hα-helixtrans-62.4-48.9175.3-72.7173.1-4.600110.6L40 G41 Y46 R47 V48 V69L40-Q44 VanDerWaalsContact O-CG 3.31Å; L40-Q44 WeakPolarHBondContact O-CG 3.47Å; L40-Q44 PolarHBondContact O-N 3.36Å; G41-Q44 PolarHBondContact O-N 3.03Å; Q44-Y46 PolarHBondContact O-N 2.92Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 3.19Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; Q44-V48 WeakPolarHBondContact O-CG2 3.48Å; Q44-V48 PolarHBondContact O-N 3.02Å; Q44-V69 HydrophobicContact CB-CG2 3.76Å
45L94.3Very high89Confident0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-59.1-46.6175.6-177.682.1000111G41 R47 V48 L49 Y58 F61 I62 G66 V69 L72G41-L45 WeakPolarHBondContact O-CB 3.37Å; G41-L45 PolarHBondContact O-N 3.29Å; L45-R47 VanDerWaalsContact C-N 3.25Å; L45-R47 PolarHBondContact O-N 2.93Å; L45-V48 PolarHBondContact O-N 3.37Å; L45-V48 VanDerWaalsContact O-N 3.14Å; L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CD2-CD1 4.01Å; L45-L49 HydrophobicContact CG-CD1 3.82Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.2Å; L45-Y58 HydrophobicContact CD2-CD2 4.15Å; L45-Y58 HydrophobicContact CD2-CE2 4.35Å; L45-F61 HydrophobicContact CD1-CD1 4.43Å; L45-F61 HydrophobicContact CD1-CG 4.4Å; L45-F61 HydrophobicContact CD2-CB 3.54Å; L45-F61 HydrophobicContact CD2-CG 4.07Å; L45-I62 HydrophobicContact CD2-CD1 3.51Å; L45-G66 WeakPolarHBondContact CD2-O 3.38Å; L45-V69 HydrophobicContact CB-CG2 3.91Å; L45-V69 HydrophobicContact CD1-CG2 4.38Å; L45-V69 VanDerWaalsContact N-CG2 3.33Å; L45-L72 HydrophobicContact CD1-CD1 3.63Å
46Y93.7Very high90.5Very high46 Ų4662.6 Ų62.618%0.1831%0.311CS..Hα-helixtrans-55.3-42.1176.6-175.8-86.6000111.3M34 P37 E42 L43 Q44 Q50 L55 Y58M34-Y46 HydrophobicContact CE-CE2 3.88Å; P37-Y46 HydrophobicContact CG-CD1 4.33Å; P37-Y46 HydrophobicContact CG-CD2 3.85Å; P37-Y46 HydrophobicContact CG-CG 3.71Å; E42-Y46 WeakPolarHBondContact O-CB 3.47Å; E42-Y46 PolarHBondContact O-N 3.49Å; L43-Y46 PolarHBondContact O-N 3.22Å; Q44-Y46 PolarHBondContact O-N 2.92Å; Y46-Q50 WeakPolarHBondContact O-CB 3.14Å; Y46-Q50 PolarHBondContact O-N 3.07Å; Y46-L55 HydrophobicContact CD1-CD2 4.4Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE1-CD2 4.24Å; Y46-L55 HydrophobicContact CE2-CD2 3.6Å; Y46-L55 HydrophobicContact CG-CD2 4.16Å; Y46-Y58 HydrophobicContact CD2-CD1 4.15Å; Y46-Y58 AromaticContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CE1 4.17Å; Y46-Y58 AromaticContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CG 4.02Å; Y46-Y58 HydrophobicContact CG-CD2 4.46Å; Y46-Y58 HydrophobicContact CG-CE2 4.31Å
47R92.7Very high91.5Very high62 Ų6256.5 Ų56.523%0.23428%0.278CS..Hα-helixtrans-68.3-40.5176.7-69.6-69.3-170.8-150.71.2112.8L43 Q44 L45 Q50 R51 F113L43-R47 VanDerWaalsContact O-CG 3.27Å; L43-R47 WeakPolarHBondContact O-CG 3.34Å; L43-R47 PolarHBondContact O-N 3.09Å; Q44-R47 WeakPolarHBondContact O-CB 3.48Å; Q44-R47 PolarHBondContact O-N 3.19Å; Q44-R47 VanDerWaalsContact O-N 3.15Å; L45-R47 VanDerWaalsContact C-N 3.25Å; L45-R47 PolarHBondContact O-N 2.93Å; R47-Q50 PolarHBondContact O-N 2.99Å; R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.93Å; R47-F113 HydrophobicContact CB-CB 4.23Å; R47-F113 HydrophobicContact CB-CD1 4.32Å; R47-F113 WeakPolarHBondContact CG-O 3.25Å
48V94.4Very high92.2Very high0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-62.3-49.2174.8172.40000110.7Q44 L45 Q50 R51 A52 V69 L99 A102 L103 W106 F113Q44-V48 WeakPolarHBondContact O-CG2 3.48Å; Q44-V48 PolarHBondContact O-N 3.02Å; L45-V48 PolarHBondContact O-N 3.37Å; L45-V48 VanDerWaalsContact O-N 3.14Å; V48-Q50 PolarHBondContact O-N 3.37Å; V48-R51 PolarHBondContact O-N 3.49Å; V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 3.44Å; V48-V69 HydrophobicContact CG2-CG1 3.96Å; V48-L99 HydrophobicContact CG1-CD1 4.09Å; V48-A102 HydrophobicContact CG1-CB 3.95Å; V48-L103 HydrophobicContact CG1-CD2 3.98Å; V48-L103 HydrophobicContact CG1-CG 4.28Å; V48-W106 HydrophobicContact CG2-CB 3.99Å; V48-W106 HydrophobicContact CG2-CG 3.83Å; V48-F113 HydrophobicContact CB-CE1 4.48Å; V48-F113 HydrophobicContact CG2-CD1 3.97Å; V48-F113 HydrophobicContact CG2-CE1 3.98Å
49L94.9Very high92.8Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-66.5-35.3177.5-66.5175.8000112.4L45 A52 N53 L54 L55 Y58 F61 L99L45-L49 HydrophobicContact CD1-CD1 4.27Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CD2-CD1 4.01Å; L45-L49 HydrophobicContact CG-CD1 3.82Å; L45-L49 HydrophobicContact CG-CG 4.25Å; L45-L49 WeakPolarHBondContact O-CB 3.2Å; L45-L49 WeakPolarHBondContact O-CG 3.47Å; L45-L49 PolarHBondContact O-N 3.2Å; L49-A52 PolarHBondContact O-N 2.96Å; L49-N53 PolarHBondContact O-N 2.84Å; L49-N53 VanDerWaalsContact O-N 3.07Å; L49-L54 HydrophobicContact CD2-CB 3.82Å; L49-L54 PolarHBondContact O-N 2.9Å; L49-L55 HydrophobicContact CB-CD2 4.2Å; L49-Y58 HydrophobicContact CD1-CD2 4.22Å; L49-F61 HydrophobicContact CD1-CD2 3.79Å; L49-F61 HydrophobicContact CD1-CE2 4.25Å; L49-F61 HydrophobicContact CD2-CD2 4.26Å; L49-F61 HydrophobicContact CD2-CE2 3.87Å; L49-L99 HydrophobicContact CD2-CD1 3.94Å
50Q93.3Very high93.1Very high66 Ų6646.6 Ų46.631%0.30824%0.238SC..Hα-helixtrans-59.9-49.3171.7-176173.226.800111Y46 R47 V48 N53 L55Y46-Q50 WeakPolarHBondContact O-CB 3.14Å; Y46-Q50 PolarHBondContact O-N 3.07Å; R47-Q50 PolarHBondContact O-N 2.99Å; V48-Q50 PolarHBondContact O-N 3.37Å; Q50-N53 PolarHBondContact O-N 2.89Å; Q50-N53 VanDerWaalsContact O-N 3.12Å; Q50-L55 HydrophobicContact CB-CD1 4.13Å; Q50-L55 HydrophobicContact CB-CD2 4.07Å; Q50-L55 HydrophobicContact CB-CG 4.2Å; Q50-L55 HydrophobicContact CG-CD1 4.16Å
51R90.3Very high93.5Very high112 Ų11240.7 Ų40.742%0.42321%0.207SC..Hα-helixtrans-69.1-33.4-179.2-158.8-176.5-17591.2-1.3112.6R47 V48 N53 E105 F113R47-R51 WeakPolarHBondContact O-CB 3.48Å; R47-R51 PolarHBondContact O-N 2.93Å; V48-R51 PolarHBondContact O-N 3.49Å; R51-N53 PolarHBondContact O-N 3.43Å; R51-E105 IonicContact NE-OE2 3.85Å; R51-E105 PolarHBondContact NE-OE2 2.67Å; R51-F113 HydrophobicContact CB-CD1 4.47Å; R51-F113 HydrophobicContact CB-CE1 3.88Å; R51-F113 HydrophobicContact CG-CE1 4.21Å
52A94.5Very high93.8Very high8 Ų842.2 Ų42.27%0.06621%0.212CC..Hα-helixtrans-73.1-12.6172.600000113.8V48 L49 L54 R98 A102V48-A52 WeakPolarHBondContact O-CB 3.32Å; V48-A52 PolarHBondContact O-N 3.44Å; L49-A52 PolarHBondContact O-N 2.96Å; A52-L54 HydrophobicContact CB-CB 4.21Å; A52-L54 HydrophobicContact CB-CD1 3.71Å; A52-L54 HydrophobicContact CB-CG 3.85Å; A52-R98 PolarHBondContact O-NH1 3.03Å; A52-A102 HydrophobicContact CB-CB 3.79Å
53N94.9Very high93.9Very high124 Ų12448.7 Ų48.766%0.66324%0.242SC*.THydrogen-bonded Turntrans55.551.5-166.9-172.534.6000112.6L49 Q50 R51 R98L49-N53 PolarHBondContact O-N 2.84Å; L49-N53 VanDerWaalsContact O-N 3.07Å; Q50-N53 PolarHBondContact O-N 2.89Å; Q50-N53 VanDerWaalsContact O-N 3.12Å; R51-N53 PolarHBondContact O-N 3.43Å; N53-R98 PolarHBondContact O-NH1 2.9Å
54L96.2Very high93.9Very high1 Ų150.2 Ų50.21%0.00525%0.247CC..  trans-128.319.9-177.4-65.8176.6000112.7L49 A52 S56 Y57 H95 R98 L99L49-L54 HydrophobicContact CD2-CB 3.82Å; L49-L54 PolarHBondContact O-N 2.9Å; A52-L54 HydrophobicContact CB-CB 4.21Å; A52-L54 HydrophobicContact CB-CD1 3.71Å; A52-L54 HydrophobicContact CB-CG 3.85Å; L54-S56 PolarHBondContact O-N 2.92Å; L54-Y57 HydrophobicContact CB-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CE2 4.23Å; L54-Y57 WeakPolarHBondContact O-CB 3.3Å; L54-Y57 PolarHBondContact O-N 3.24Å; L54-H95 WeakPolarHBondContact CD1-O 3.38Å; L54-H95 HydrophobicContact CD2-CB 3.82Å; L54-R98 HydrophobicContact CD1-CB 4.26Å; L54-L99 HydrophobicContact CD1-CB 3.75Å
55L94.6Very high93.9Very high39 Ų3949.5 Ų49.520%0.20426%0.257CS..G310 helixtrans-55.2-22.6-179.8-75.4174.9000114.6M34 Y46 L49 Q50 Y57 Y58M34-L55 HydrophobicContact CE-CB 4.36Å; M34-L55 HydrophobicContact CE-CD1 4.22Å; Y46-L55 HydrophobicContact CD1-CD2 4.4Å; Y46-L55 HydrophobicContact CD2-CD2 3.77Å; Y46-L55 HydrophobicContact CE1-CD2 4.24Å; Y46-L55 HydrophobicContact CE2-CD2 3.6Å; Y46-L55 HydrophobicContact CG-CD2 4.16Å; L49-L55 HydrophobicContact CB-CD2 4.2Å; Q50-L55 HydrophobicContact CB-CD1 4.13Å; Q50-L55 HydrophobicContact CB-CD2 4.07Å; Q50-L55 HydrophobicContact CB-CG 4.2Å; Q50-L55 HydrophobicContact CG-CD1 4.16Å; L55-Y57 PolarHBondContact O-N 2.93Å; L55-Y57 VanDerWaalsContact O-N 3.12Å; L55-Y58 VanDerWaalsContact O-CB 3.25Å; L55-Y58 WeakPolarHBondContact O-CB 3.24Å; L55-Y58 PolarHBondContact O-N 3.3Å
56S94.1Very high93.8Very high98 Ų9850.3 Ų50.369%0.68527%0.265SS*.G310 helixtrans-58.1-21.617257.30000114.1L54L54-S56 PolarHBondContact O-N 2.92Å
57Y95.2Very high93.7Very high18 Ų1850.6 Ų50.67%0.07127%0.27CS..G310 helixtrans-97-5.6179.2-64.5-83.7000113.5L54 L55 E59 T60 F61 V87 M89 K92 H95L54-Y57 HydrophobicContact CB-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CD2 4.24Å; L54-Y57 HydrophobicContact CD2-CE2 4.23Å; L54-Y57 WeakPolarHBondContact O-CB 3.3Å; L54-Y57 PolarHBondContact O-N 3.24Å; L55-Y57 PolarHBondContact O-N 2.93Å; L55-Y57 VanDerWaalsContact O-N 3.12Å; Y57-E59 PolarHBondContact O-N 3.48Å; Y57-T60 VanDerWaalsContact C-OG1 3.31Å; Y57-T60 VanDerWaalsContact CA-OG1 3.28Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.38Å; Y57-T60 PolarHBondContact O-N 3.24Å; Y57-T60 VanDerWaalsContact O-N 3.15Å; Y57-T60 PolarHBondContact O-OG1 3.04Å; Y57-F61 WeakPolarHBondContact O-CD2 3.17Å; Y57-F61 PolarHBondContact O-N 3.45Å; Y57-V87 HydrophobicContact CD1-CG1 4.15Å; Y57-M89 HydrophobicContact CD1-CG 3.54Å; Y57-M89 HydrophobicContact CD1-SD 4.1Å; Y57-M89 HydrophobicContact CD2-CG 4.33Å; Y57-M89 HydrophobicContact CD2-SD 4.18Å; Y57-M89 HydrophobicContact CE1-CG 3.37Å; Y57-M89 HydrophobicContact CE1-SD 4.39Å; Y57-M89 HydrophobicContact CE2-CG 4.24Å; Y57-M89 HydrophobicContact CG-CG 4Å; Y57-M89 HydrophobicContact CG-SD 3.97Å; Y57-K92 WeakPolarHBondContact OH-CD 3.18Å; Y57-K92 PolarHBondContact OH-NZ 3.4Å; Y57-H95 AromaticContact CE2-CE1 3.84Å; Y57-H95 AromaticContact CE2-ND1 3.25Å; Y57-H95 VanDerWaalsContact CE2-ND1 3.25Å; Y57-H95 WeakPolarHBondContact CE2-ND1 3.24Å; Y57-H95 AromaticContact CZ-ND1 3.52Å; Y57-H95 PolarHBondContact OH-ND1 2.87Å; Y57-H95 VanDerWaalsContact OH-ND1 3.1Å
58Y94.8Very high93.7Very high1 Ų151.3 Ų51.30%0.00428%0.278CS..Hα-helixtrans-55.3-54-177.3173.8-106.7000111.3A35 P37 E42 L45 Y46 L49 L55 T60 F61 I62A35-Y58 HydrophobicContact CB-CE1 4.35Å; A35-Y58 WeakPolarHBondContact O-CE1 3.5Å; P37-Y58 WeakPolarHBondContact CA-OH 3.35Å; E42-Y58 WeakPolarHBondContact O-CE2 3.24Å; E42-Y58 PolarHBondContact OE2-OH 3.32Å; L45-Y58 HydrophobicContact CD2-CD2 4.15Å; L45-Y58 HydrophobicContact CD2-CE2 4.35Å; Y46-Y58 HydrophobicContact CD2-CD1 4.15Å; Y46-Y58 AromaticContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CD2 3.88Å; Y46-Y58 HydrophobicContact CD2-CE1 4.17Å; Y46-Y58 AromaticContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CE2 3.87Å; Y46-Y58 HydrophobicContact CD2-CG 4.02Å; Y46-Y58 HydrophobicContact CG-CD2 4.46Å; Y46-Y58 HydrophobicContact CG-CE2 4.31Å; L49-Y58 HydrophobicContact CD1-CD2 4.22Å; L55-Y58 VanDerWaalsContact O-CB 3.25Å; L55-Y58 WeakPolarHBondContact O-CB 3.24Å; L55-Y58 PolarHBondContact O-N 3.3Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.49Å; Y58-F61 PolarHBondContact O-N 3.21Å; Y58-F61 VanDerWaalsContact O-N 3.09Å; Y58-I62 HydrophobicContact CD2-CD1 4.39Å; Y58-I62 HydrophobicContact CD2-CG1 4.17Å; Y58-I62 HydrophobicContact CE1-CG1 4.1Å; Y58-I62 HydrophobicContact CE2-CD1 3.84Å; Y58-I62 HydrophobicContact CE2-CG1 3.72Å; Y58-I62 WeakPolarHBondContact O-CG1 3.11Å; Y58-I62 PolarHBondContact O-N 2.66Å
59E93.6Very high93.6Very high45 Ų4551.3 Ų51.321%0.2128%0.278CS..Hα-helixtrans-56.7-37.6178.4-59.9-92.1141.300112.7R32 A35 Y57 Q63R32-E59 IonicContact CZ-OE2 2.84Å; R32-E59 IonicContact NE-OE2 2.94Å; R32-E59 PolarHBondContact NE-OE2 3.01Å; R32-E59 IonicContact NH2-OE2 3.32Å; R32-E59 PolarHBondContact NH2-OE2 2.77Å; A35-E59 WeakPolarHBondContact CB-OE1 3.29Å; A35-E59 PolarHBondContact N-OE1 3.45Å; Y57-E59 PolarHBondContact O-N 3.48Å; E59-Q63 VanDerWaalsContact O-CB 3.22Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 3.17Å
60T94.8Very high93.4Very high58 Ų5855.3 Ų55.336%0.35630%0.297SS..Hα-helixtrans-75.8-28.117941.50000113.3Y57 Y58 Q64Y57-T60 VanDerWaalsContact C-OG1 3.31Å; Y57-T60 VanDerWaalsContact CA-OG1 3.28Å; Y57-T60 WeakPolarHBondContact CA-OG1 3.38Å; Y57-T60 PolarHBondContact O-N 3.24Å; Y57-T60 VanDerWaalsContact O-N 3.15Å; Y57-T60 PolarHBondContact O-OG1 3.04Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-Q64 WeakPolarHBondContact O-CG 3.47Å
61F95.1Very high93.4Very high1 Ų158.3 Ų58.30%0.00431%0.311CS..Hα-helixtrans-69.9-49.1169.6-89.8-76.6000111.1L45 L49 Y57 Y58 Q63 Q64 G65 G66 L72 I83 M84 V87 M89 L99L45-F61 HydrophobicContact CD1-CD1 4.43Å; L45-F61 HydrophobicContact CD1-CG 4.4Å; L45-F61 HydrophobicContact CD2-CB 3.54Å; L45-F61 HydrophobicContact CD2-CG 4.07Å; L49-F61 HydrophobicContact CD1-CD2 3.79Å; L49-F61 HydrophobicContact CD1-CE2 4.25Å; L49-F61 HydrophobicContact CD2-CD2 4.26Å; L49-F61 HydrophobicContact CD2-CE2 3.87Å; Y57-F61 WeakPolarHBondContact O-CD2 3.17Å; Y57-F61 PolarHBondContact O-N 3.45Å; Y58-F61 PolarHBondContact O-N 3.21Å; Y58-F61 VanDerWaalsContact O-N 3.09Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.14Å; F61-Q64 CarbonylContact O-C 3.51Å; F61-Q64 PolarHBondContact O-N 3.28Å; F61-G65 PolarHBondContact O-N 3.36Å; F61-G66 PolarHBondContact O-N 3.3Å; F61-L72 HydrophobicContact CD1-CD1 4.32Å; F61-L72 HydrophobicContact CE1-CD1 3.91Å; F61-L72 HydrophobicContact CE1-CD2 4.04Å; F61-I83 HydrophobicContact CE1-CG2 4.13Å; F61-M84 HydrophobicContact CZ-CE 4.17Å; F61-V87 HydrophobicContact CD1-CG2 4.04Å; F61-V87 HydrophobicContact CD2-CG1 3.82Å; F61-V87 HydrophobicContact CE1-CG2 4.12Å; F61-V87 HydrophobicContact CE2-CG1 3.87Å; F61-V87 HydrophobicContact CG-CG1 4.16Å; F61-V87 HydrophobicContact CG-CG2 4.36Å; F61-V87 HydrophobicContact CZ-CG1 4.24Å; F61-M89 HydrophobicContact CD2-CE 4.48Å; F61-M89 HydrophobicContact CE1-CE 4.47Å; F61-M89 HydrophobicContact CE2-CE 3.34Å; F61-M89 HydrophobicContact CE2-SD 4.45Å; F61-M89 HydrophobicContact CZ-CE 3.34Å; F61-L99 HydrophobicContact CE2-CD2 4.33Å; F61-L99 HydrophobicContact CZ-CD2 3.78Å
62I93.9Very high93.6Very high47 Ų4753.4 Ų53.424%0.24129%0.293CS..Hα-helixtrans-63.2-39.7-178.4-56.3-40.2000111.1E42 L45 Y58 Q64 G65 D67E42-I62 HydrophobicContact CB-CD1 4.4Å; E42-I62 HydrophobicContact CG-CD1 3.69Å; E42-I62 HydrophobicContact CG-CG1 4.2Å; E42-I62 HydrophobicContact CG-CG2 4.37Å; L45-I62 HydrophobicContact CD2-CD1 3.51Å; Y58-I62 HydrophobicContact CD2-CD1 4.39Å; Y58-I62 HydrophobicContact CD2-CG1 4.17Å; Y58-I62 HydrophobicContact CE1-CG1 4.1Å; Y58-I62 HydrophobicContact CE2-CD1 3.84Å; Y58-I62 HydrophobicContact CE2-CG1 3.72Å; Y58-I62 WeakPolarHBondContact O-CG1 3.11Å; Y58-I62 PolarHBondContact O-N 2.66Å; I62-Q64 PolarHBondContact O-N 2.92Å; I62-Q64 VanDerWaalsContact O-N 3.14Å; I62-G65 PolarHBondContact O-N 2.76Å; I62-G65 VanDerWaalsContact O-N 3.16Å; I62-D67 HydrophobicContact CD1-CB 3.83Å
63Q94.1Very high93.5Very high158 Ų15855.1 Ų55.174%0.73830%0.304SS*.THydrogen-bonded Turntrans-60.7-22.8175.9-175.157.484.400113.6E59 F61E59-Q63 VanDerWaalsContact O-CB 3.22Å; E59-Q63 WeakPolarHBondContact O-CB 3.34Å; E59-Q63 PolarHBondContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.31Å; F61-Q63 PolarHBondContact O-N 3.14Å
64Q92.1Very high93.4Very high106 Ų10655.9 Ų55.950%0.49530%0.304SS..THydrogen-bonded Turntrans-106.39.1-177.3-59.1-74.526.100112.5T60 F61 I62 G66 L86T60-Q64 WeakPolarHBondContact O-CG 3.47Å; F61-Q64 CarbonylContact O-C 3.51Å; F61-Q64 PolarHBondContact O-N 3.28Å; I62-Q64 PolarHBondContact O-N 2.92Å; I62-Q64 VanDerWaalsContact O-N 3.14Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 2.77Å; Q64-L86 HydrophobicContact CB-CD2 3.67Å; Q64-L86 HydrophobicContact CG-CD2 3.46Å; Q64-L86 VanDerWaalsContact CG-CD2 3.46Å
65G91.1Very high93.3Very high49 Ų4956.9 Ų56.951%0.50531%0.312SS..THydrogen-bonded Turntrans70.416.5-178.300000114.7F61 I62 D67F61-G65 PolarHBondContact O-N 3.36Å; I62-G65 PolarHBondContact O-N 2.76Å; I62-G65 VanDerWaalsContact O-N 3.16Å; G65-D67 PolarHBondContact O-N 3.18Å; G65-D67 VanDerWaalsContact O-N 3.14Å
66G91.2Very high93.1Very high17 Ų1756.6 Ų56.618%0.17532%0.319CS..THydrogen-bonded Turntrans-85.747179.800000113.3L45 F61 Q64L45-G66 WeakPolarHBondContact CD2-O 3.38Å; F61-G66 PolarHBondContact O-N 3.3Å; Q64-G66 VanDerWaalsContact C-N 3.26Å; Q64-G66 PolarHBondContact O-N 2.77Å
67D91.9Very high93Very high52 Ų5259.8 Ų59.828%0.27832%0.323SS..THydrogen-bonded Turntrans-93.7-11.8179.775.7-57.8000114.4T39 G41 E42 I62 G65 V69T39-D67 PolarHBondContact OG1-OD2 3.02Å; T39-D67 VanDerWaalsContact OG1-OD2 3.13Å; G41-D67 CarbonylContact C-O 3.09Å; G41-D67 WeakPolarHBondContact CA-O 3.41Å; E42-D67 HydrophobicContact CG-CB 4.16Å; I62-D67 HydrophobicContact CD1-CB 3.83Å; G65-D67 PolarHBondContact O-N 3.18Å; G65-D67 VanDerWaalsContact O-N 3.14Å; D67-V69 PolarHBondContact O-N 3.22Å
68D92.5Very high92.9Very high77 Ų7767 Ų6741%0.41236%0.358SS..  trans-81.1109170.5-164.4-39.6000111.7Q70 Q71 L72D68-Q70 WeakPolarHBondContact OD1-CA 3.44Å; D68-Q70 VanDerWaalsContact OD1-CB 3.25Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 3.44Å; D68-Q71 HydrophobicContact CB-CB 4.02Å; D68-Q71 PolarHBondContact OD1-N 3.09Å; D68-L72 WeakPolarHBondContact O-CG 3.09Å; D68-L72 PolarHBondContact O-N 3.02Å
69V91.8Very high92.9Very high0 Ų072.4 Ų72.40%038%0.383CS..Hα-helixtrans-73.8-28.7178.4-175.50000112.3Q44 L45 V48 D67 L72 C73 L103 W106Q44-V69 HydrophobicContact CB-CG2 3.76Å; L45-V69 HydrophobicContact CB-CG2 3.91Å; L45-V69 HydrophobicContact CD1-CG2 4.38Å; L45-V69 VanDerWaalsContact N-CG2 3.33Å; V48-V69 HydrophobicContact CG2-CG1 3.96Å; D67-V69 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 3.07Å; V69-C73 PolarHBondContact O-N 3.12Å; V69-C73 VanDerWaalsContact O-N 3.1Å; V69-C73 PolarHBondContact O-SG 2.92Å; V69-C73 VanDerWaalsContact O-SG 3.37Å; V69-L103 HydrophobicContact CG1-CD2 3.78Å; V69-W106 HydrophobicContact CB-CE3 4.5Å; V69-W106 HydrophobicContact CB-CH2 4Å; V69-W106 HydrophobicContact CB-CZ2 3.99Å; V69-W106 HydrophobicContact CB-CZ3 4.26Å; V69-W106 HydrophobicContact CG1-CD2 3.56Å; V69-W106 HydrophobicContact CG1-CE3 3.59Å; V69-W106 HydrophobicContact CG1-CG 4.15Å; V69-W106 HydrophobicContact CG1-CH2 3.97Å; V69-W106 HydrophobicContact CG1-CZ2 3.94Å; V69-W106 HydrophobicContact CG1-CZ3 3.8Å
70Q91.1Very high92.9Very high85 Ų8571 Ų7140%0.39738%0.376SS..Hα-helixtrans-68.1-45.5177.5-171.467.72400109.9D68 L72 C73 E74 W106D68-Q70 WeakPolarHBondContact OD1-CA 3.44Å; D68-Q70 VanDerWaalsContact OD1-CB 3.25Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.4Å; D68-Q70 PolarHBondContact OD1-N 3.44Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; Q70-C73 WeakPolarHBondContact O-CA 3.38Å; Q70-C73 WeakPolarHBondContact O-CB 3.42Å; Q70-C73 PolarHBondContact O-N 3.29Å; Q70-E74 PolarHBondContact NE2-OE1 3.31Å; Q70-E74 PolarHBondContact O-N 3Å; Q70-W106 HydrophobicContact CB-CH2 4.43Å
71Q93.6Very high92.8Very high129 Ų12972.5 Ų72.560%0.60338%0.381SS*.Hα-helixtrans-59-40.5174.6-168.5-179.11.100111.7D68 C73 E74 A75D68-Q71 HydrophobicContact CB-CB 4.02Å; D68-Q71 PolarHBondContact OD1-N 3.09Å; Q71-C73 PolarHBondContact O-N 2.91Å; Q71-E74 PolarHBondContact O-N 3.14Å; Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.26Å
72L93.5Very high92.8Very high9 Ų978.9 Ų78.95%0.04741%0.411CS..Hα-helixtrans-66.6-20.8174.1-69.9173.1000114.2L45 F61 D68 V69 Q70 I83 L103L45-L72 HydrophobicContact CD1-CD1 3.63Å; F61-L72 HydrophobicContact CD1-CD1 4.32Å; F61-L72 HydrophobicContact CE1-CD1 3.91Å; F61-L72 HydrophobicContact CE1-CD2 4.04Å; D68-L72 WeakPolarHBondContact O-CG 3.09Å; D68-L72 PolarHBondContact O-N 3.02Å; V69-L72 PolarHBondContact O-N 3.07Å; Q70-L72 VanDerWaalsContact C-N 3.29Å; Q70-L72 PolarHBondContact O-N 3.49Å; L72-I83 HydrophobicContact CD2-CD1 4.15Å; L72-I83 HydrophobicContact CD2-CG2 3.95Å; L72-L103 HydrophobicContact CB-CD1 4.27Å; L72-L103 HydrophobicContact CB-CD2 4.08Å
73C93.3Very high92.8Very high43 Ų4378.8 Ų78.829%0.29141%0.41SS..Hα-helixtrans-86.7-29.8174.4-770000113V69 Q70 Q71V69-C73 PolarHBondContact O-N 3.12Å; V69-C73 VanDerWaalsContact O-N 3.1Å; V69-C73 PolarHBondContact O-SG 2.92Å; V69-C73 VanDerWaalsContact O-SG 3.37Å; Q70-C73 WeakPolarHBondContact O-CA 3.38Å; Q70-C73 WeakPolarHBondContact O-CB 3.42Å; Q70-C73 PolarHBondContact O-N 3.29Å; Q71-C73 PolarHBondContact O-N 2.91Å
74E93.2Very high92.9Very high140 Ų14071.2 Ų71.265%0.65438%0.375SS*.Hα-helixtrans-92.3-19.9-177.1-69.5177179.800113.6Q70 Q71 G76Q70-E74 PolarHBondContact NE2-OE1 3.31Å; Q70-E74 PolarHBondContact O-N 3Å; Q71-E74 PolarHBondContact O-N 3.14Å; E74-G76 PolarHBondContact O-N 3.12Å
75A93.6Very high93Very high22 Ų2269.1 Ų69.118%0.18238%0.376CS..  trans-50.6133.917900000113.5Q71 E79 F80Q71-A75 WeakPolarHBondContact O-CB 3.32Å; Q71-A75 PolarHBondContact O-N 3.26Å; A75-E79 WeakPolarHBondContact CA-OE2 3.44Å; A75-E79 HydrophobicContact CB-CB 4.27Å; A75-F80 HydrophobicContact CB-CB 4.27Å
76G91.1Very high93.2Very high34 Ų3471 Ų7135%0.35137%0.374SS..  trans-65.6170.4174.100000112.9E74 E78 E79 F80E74-G76 PolarHBondContact O-N 3.12Å; G76-E78 PolarHBondContact O-N 3.14Å; G76-E79 PolarHBondContact N-OE2 2.74Å; G76-E79 PolarHBondContact O-N 3.02Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 3.15Å
77E91.3Very high93.4Very high164 Ų16470.6 Ų70.677%0.76637%0.368SS*.Hα-helixtrans-61.3-41.2-177.3-176.9162.9-155.600112.7L81E77-L81 HydrophobicContact CG-CD1 4.08Å; E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 WeakPolarHBondContact O-CD1 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.25Å; E77-L81 PolarHBondContact O-N 2.83Å
78E93.6Very high93.4Very high171 Ų17170 Ų7080%0.79937%0.374SS*.Hα-helixtrans-67.9-50.6177.5-64.5-168.4159.600112.2G76 F80 L81 E82G76-E78 PolarHBondContact O-N 3.14Å; E78-F80 VanDerWaalsContact C-N 3.32Å; E78-F80 PolarHBondContact O-N 2.82Å; E78-L81 PolarHBondContact O-N 2.69Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E78-E82 PolarHBondContact O-N 2.84Å
79E93.8Very high93.5Very high114 Ų11466.3 Ų66.353%0.53335%0.354SS..Hα-helixtrans-57.4-44.8177.3-59.8175.214700111.5A75 G76 L81 E82 I83A75-E79 WeakPolarHBondContact CA-OE2 3.44Å; A75-E79 HydrophobicContact CB-CB 4.27Å; G76-E79 PolarHBondContact N-OE2 2.74Å; G76-E79 PolarHBondContact O-N 3.02Å; E79-L81 PolarHBondContact O-N 3.39Å; E79-E82 PolarHBondContact O-N 3Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.07Å; E79-I83 PolarHBondContact O-N 3.16Å
80F94Very high93.4Very high14 Ų1468.6 Ų68.66%0.06137%0.373CS..Hα-helixtrans-63.8-40.7177.7-177.1-95.9000111.5A75 G76 E78 I83 M84 V96 Q100 L103A75-F80 HydrophobicContact CB-CB 4.27Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 3.15Å; E78-F80 VanDerWaalsContact C-N 3.32Å; E78-F80 PolarHBondContact O-N 2.82Å; F80-I83 PolarHBondContact O-N 3.38Å; F80-M84 HydrophobicContact CD1-CG 4.02Å; F80-M84 HydrophobicContact CD2-CE 4.37Å; F80-M84 HydrophobicContact CE1-CE 4.48Å; F80-M84 HydrophobicContact CE1-CG 3.66Å; F80-M84 HydrophobicContact CE1-SD 4.12Å; F80-M84 HydrophobicContact CE2-CE 3.86Å; F80-M84 HydrophobicContact CE2-SD 4.4Å; F80-M84 HydrophobicContact CZ-CE 3.91Å; F80-M84 HydrophobicContact CZ-CG 3.98Å; F80-M84 HydrophobicContact CZ-SD 3.83Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 VanDerWaalsContact O-CG 3.24Å; F80-M84 WeakPolarHBondContact O-CG 3.22Å; F80-M84 PolarHBondContact O-N 3.28Å; F80-V96 HydrophobicContact CE1-CG1 3.63Å; F80-V96 HydrophobicContact CZ-CG1 4.19Å; F80-Q100 HydrophobicContact CE1-CG 3.77Å; F80-Q100 HydrophobicContact CZ-CG 3.6Å; F80-L103 HydrophobicContact CE2-CD1 4.06Å
81L93.3Very high93.5Very high90 Ų9070.4 Ų70.447%0.47139%0.39SS..Hα-helixtrans-66.3-37.6175.6-75.3170.7000112.4E77 E78 E79 M84 A85E77-L81 HydrophobicContact CG-CD1 4.08Å; E77-L81 WeakPolarHBondContact O-CB 3.28Å; E77-L81 WeakPolarHBondContact O-CD1 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.25Å; E77-L81 PolarHBondContact O-N 2.83Å; E78-L81 PolarHBondContact O-N 2.69Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E79-L81 PolarHBondContact O-N 3.39Å; L81-M84 PolarHBondContact O-N 3.19Å; L81-A85 WeakPolarHBondContact O-CB 3.44Å; L81-A85 PolarHBondContact O-N 2.62Å
82E95.1Very high93.5Very high136 Ų13668.9 Ų68.964%0.63638%0.381SS*.Hα-helixtrans-61.6-49.8173.1-175.4174.8-171.100111.1E78 E79 M84 A85 L86E78-E82 PolarHBondContact O-N 2.84Å; E79-E82 PolarHBondContact O-N 3Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.22Å; E82-A85 WeakPolarHBondContact O-CB 3.19Å; E82-A85 PolarHBondContact O-N 3.28Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 PolarHBondContact O-N 3.49Å
83I94.4Very high93.4Very high44 Ų4472.6 Ų72.623%0.22641%0.406CS..Hα-helixtrans-58.9-42.2175.4-62.9162.4000110.4F61 L72 E79 F80 A85 L86 V87F61-I83 HydrophobicContact CE1-CG2 4.13Å; L72-I83 HydrophobicContact CD2-CD1 4.15Å; L72-I83 HydrophobicContact CD2-CG2 3.95Å; E79-I83 VanDerWaalsContact O-CG1 3.26Å; E79-I83 WeakPolarHBondContact O-CG1 3.07Å; E79-I83 PolarHBondContact O-N 3.16Å; F80-I83 PolarHBondContact O-N 3.38Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.05Å; I83-L86 PolarHBondContact O-N 2.59Å; I83-V87 HydrophobicContact CG2-CG2 4.26Å; I83-V87 WeakPolarHBondContact O-CB 3.35Å; I83-V87 VanDerWaalsContact O-CG2 3.31Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.91Å
84M95.3Very high93.6Very high0 Ų077 Ų770%043%0.426CS..Hα-helixtrans-64-34.8175.7-69.9-5194.200112.4F61 F80 L81 E82 G88 M89 A90 V96 L99F61-M84 HydrophobicContact CZ-CE 4.17Å; F80-M84 HydrophobicContact CD1-CG 4.02Å; F80-M84 HydrophobicContact CD2-CE 4.37Å; F80-M84 HydrophobicContact CE1-CE 4.48Å; F80-M84 HydrophobicContact CE1-CG 3.66Å; F80-M84 HydrophobicContact CE1-SD 4.12Å; F80-M84 HydrophobicContact CE2-CE 3.86Å; F80-M84 HydrophobicContact CE2-SD 4.4Å; F80-M84 HydrophobicContact CZ-CE 3.91Å; F80-M84 HydrophobicContact CZ-CG 3.98Å; F80-M84 HydrophobicContact CZ-SD 3.83Å; F80-M84 WeakPolarHBondContact O-CB 3.33Å; F80-M84 VanDerWaalsContact O-CG 3.24Å; F80-M84 WeakPolarHBondContact O-CG 3.22Å; F80-M84 PolarHBondContact O-N 3.28Å; L81-M84 PolarHBondContact O-N 3.19Å; E82-M84 VanDerWaalsContact C-N 3.3Å; E82-M84 PolarHBondContact O-N 3.22Å; M84-G88 PolarHBondContact O-N 3.17Å; M84-M89 HydrophobicContact CB-CB 4.48Å; M84-M89 HydrophobicContact CE-CE 3.69Å; M84-M89 CarbonylContact O-C 3.52Å; M84-M89 WeakPolarHBondContact O-CA 3.43Å; M84-M89 PolarHBondContact O-N 3.47Å; M84-M89 HydrophobicContact SD-CB 4.08Å; M84-M89 HydrophobicContact SD-CE 3.47Å; M84-M89 WeakPolarHBondContact SD-CE 3.11Å; M84-M89 HydrophobicContact SD-SD 4.27Å; M84-A90 HydrophobicContact CB-CB 4.31Å; M84-A90 PolarHBondContact O-N 3.1Å; M84-V96 HydrophobicContact CB-CG2 4.39Å; M84-V96 HydrophobicContact CG-CG1 4.02Å; M84-V96 HydrophobicContact CG-CG2 4Å; M84-V96 HydrophobicContact SD-CG1 4.27Å; M84-V96 HydrophobicContact SD-CG2 4.1Å; M84-L99 HydrophobicContact CE-CD2 3.71Å; M84-L99 HydrophobicContact SD-CD2 3.86Å
85A94.4Very high93.7Very high61 Ų6172.3 Ų72.350%0.50440%0.404SS..Hα-helixtrans-70-48.4176.300000111.1L81 E82 I83 V87 G88 A90L81-A85 WeakPolarHBondContact O-CB 3.44Å; L81-A85 PolarHBondContact O-N 2.62Å; E82-A85 WeakPolarHBondContact O-CB 3.19Å; E82-A85 PolarHBondContact O-N 3.28Å; I83-A85 VanDerWaalsContact C-N 3.32Å; I83-A85 PolarHBondContact O-N 3.05Å; A85-V87 PolarHBondContact O-N 3.05Å; A85-G88 WeakPolarHBondContact O-CA 3.19Å; A85-G88 PolarHBondContact O-N 2.88Å; A85-A90 HydrophobicContact CB-CB 4.03Å
86L95.1Very high93.8Very high90 Ų9072 Ų7247%0.47140%0.4SS..Hα-helixtrans-65.9-31.7-177.5179.4146.6000113.3Q64 E82 I83Q64-L86 HydrophobicContact CB-CD2 3.67Å; Q64-L86 HydrophobicContact CG-CD2 3.46Å; Q64-L86 VanDerWaalsContact CG-CD2 3.46Å; E82-L86 VanDerWaalsContact O-CB 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.49Å; E82-L86 PolarHBondContact O-N 3.49Å; I83-L86 PolarHBondContact O-N 2.59Å
87V94.5Very high94Very high7 Ų778.5 Ų78.54%0.04241%0.414CS..THydrogen-bonded Turntrans-86.6-3.3172.1-178.10000112.5Y57 F61 I83 A85 M89Y57-V87 HydrophobicContact CD1-CG1 4.15Å; F61-V87 HydrophobicContact CD1-CG2 4.04Å; F61-V87 HydrophobicContact CD2-CG1 3.82Å; F61-V87 HydrophobicContact CE1-CG2 4.12Å; F61-V87 HydrophobicContact CE2-CG1 3.87Å; F61-V87 HydrophobicContact CG-CG1 4.16Å; F61-V87 HydrophobicContact CG-CG2 4.36Å; F61-V87 HydrophobicContact CZ-CG1 4.24Å; I83-V87 HydrophobicContact CG2-CG2 4.26Å; I83-V87 WeakPolarHBondContact O-CB 3.35Å; I83-V87 VanDerWaalsContact O-CG2 3.31Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 2.91Å; A85-V87 PolarHBondContact O-N 3.05Å; V87-M89 HydrophobicContact CB-CE 4.11Å; V87-M89 HydrophobicContact CG1-CE 3.73Å
88G93Very high94.3Very high39 Ų3974.8 Ų74.840%0.40239%0.393SS..THydrogen-bonded Turntrans75.729.1176.700000114.8M84 A85M84-G88 PolarHBondContact O-N 3.17Å; A85-G88 WeakPolarHBondContact O-CA 3.19Å; A85-G88 PolarHBondContact O-N 2.88Å
89M94.1Very high94.4Very high0 Ų066.7 Ų66.70%036%0.355CS..  trans-105-19.5175.3-73-171.1-74.200114.7Y57 F61 M84 V87 T91 K92 V96 L99Y57-M89 HydrophobicContact CD1-CG 3.54Å; Y57-M89 HydrophobicContact CD1-SD 4.1Å; Y57-M89 HydrophobicContact CD2-CG 4.33Å; Y57-M89 HydrophobicContact CD2-SD 4.18Å; Y57-M89 HydrophobicContact CE1-CG 3.37Å; Y57-M89 HydrophobicContact CE1-SD 4.39Å; Y57-M89 HydrophobicContact CE2-CG 4.24Å; Y57-M89 HydrophobicContact CG-CG 4Å; Y57-M89 HydrophobicContact CG-SD 3.97Å; F61-M89 HydrophobicContact CD2-CE 4.48Å; F61-M89 HydrophobicContact CE1-CE 4.47Å; F61-M89 HydrophobicContact CE2-CE 3.34Å; F61-M89 HydrophobicContact CE2-SD 4.45Å; F61-M89 HydrophobicContact CZ-CE 3.34Å; M84-M89 HydrophobicContact CB-CB 4.48Å; M84-M89 HydrophobicContact CE-CE 3.69Å; M84-M89 CarbonylContact O-C 3.52Å; M84-M89 WeakPolarHBondContact O-CA 3.43Å; M84-M89 PolarHBondContact O-N 3.47Å; M84-M89 HydrophobicContact SD-CB 4.08Å; M84-M89 HydrophobicContact SD-CE 3.47Å; M84-M89 WeakPolarHBondContact SD-CE 3.11Å; M84-M89 HydrophobicContact SD-SD 4.27Å; V87-M89 HydrophobicContact CB-CE 4.11Å; V87-M89 HydrophobicContact CG1-CE 3.73Å; M89-T91 PolarHBondContact O-N 3.21Å; M89-T91 VanDerWaalsContact O-N 3.15Å; M89-K92 CarbonylContact O-C 3.49Å; M89-K92 WeakPolarHBondContact O-CA 3.43Å; M89-K92 PolarHBondContact O-N 3.39Å; M89-V96 HydrophobicContact CB-CG2 4.24Å; M89-V96 WeakPolarHBondContact O-CG2 3.2Å; M89-L99 HydrophobicContact CE-CD2 3.84Å; M89-L99 HydrophobicContact SD-CD2 4.37Å
90A90.5Very high94.4Very high49 Ų4963.8 Ų63.841%0.40534%0.342SS..THydrogen-bonded Turntrans-55.6-35.2-177.400000113.1M84 A85 K92M84-A90 HydrophobicContact CB-CB 4.31Å; M84-A90 PolarHBondContact O-N 3.1Å; A85-A90 HydrophobicContact CB-CB 4.03Å; A90-K92 PolarHBondContact O-N 2.91Å
91T92.3Very high94.5Very high122 Ų12269.2 Ų69.275%0.74837%0.365SS*.THydrogen-bonded Turntrans-72.3-3.7175.656.80000114.3M89M89-T91 PolarHBondContact O-N 3.21Å; M89-T91 VanDerWaalsContact O-N 3.15Å
92K95.3Very high94.5Very high97 Ų9765.1 Ų65.142%0.42234%0.344SS..  trans-127.979.1-176.9-62.6-171.6-167.4174.60110.7Y57 M89 A90 L94 H95 V96Y57-K92 WeakPolarHBondContact OH-CD 3.18Å; Y57-K92 PolarHBondContact OH-NZ 3.4Å; M89-K92 CarbonylContact O-C 3.49Å; M89-K92 WeakPolarHBondContact O-CA 3.43Å; M89-K92 PolarHBondContact O-N 3.39Å; A90-K92 PolarHBondContact O-N 2.91Å; K92-L94 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact O-N 3.08Å; K92-H95 HydrophobicContact CB-CB 4.05Å; K92-H95 WeakPolarHBondContact O-CB 3.42Å; K92-H95 PolarHBondContact O-N 3.47Å; K92-V96 PolarHBondContact O-N 3.07Å
93P91.3Very high94.5Very high88 Ų8859 Ų5957%0.57132%0.316SS*.Hα-helixtrans-58-31.5-173.421.4-33.6000113.8H95 V96 R97P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 2.82Å; P93-V96 PolarHBondContact O-N 2.78Å; P93-R97 VanDerWaalsContact O-CG 3.32Å; P93-R97 WeakPolarHBondContact O-CG 3.44Å; P93-R97 PolarHBondContact O-N 2.96Å
94L96.3Very high94.5Very high134 Ų13465.1 Ų65.170%0.70234%0.336SS*.Hα-helixtrans-68.2-24.6175.1-64.3-179.9000113.7K92 R98K92-L94 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact O-N 3.08Å; L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.19Å; L94-R98 PolarHBondContact O-N 3.06Å
95H95.7Very high94.3Very high42 Ų4268.3 Ų68.319%0.19435%0.351CS..Hα-helixtrans-75.7-47.1174.4-69.6-156.4000109.3L54 Y57 K92 P93 R97 R98 L99L54-H95 WeakPolarHBondContact CD1-O 3.38Å; L54-H95 HydrophobicContact CD2-CB 3.82Å; Y57-H95 AromaticContact CE2-CE1 3.84Å; Y57-H95 AromaticContact CE2-ND1 3.25Å; Y57-H95 VanDerWaalsContact CE2-ND1 3.25Å; Y57-H95 WeakPolarHBondContact CE2-ND1 3.24Å; Y57-H95 AromaticContact CZ-ND1 3.52Å; Y57-H95 PolarHBondContact OH-ND1 2.87Å; Y57-H95 VanDerWaalsContact OH-ND1 3.1Å; K92-H95 HydrophobicContact CB-CB 4.05Å; K92-H95 WeakPolarHBondContact O-CB 3.42Å; K92-H95 PolarHBondContact O-N 3.47Å; P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 2.82Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.36Å; H95-R98 PolarHBondContact CD2-NH2 3.22Å; H95-R98 PolarHBondContact NE2-NH2 3.08Å; H95-R98 VanDerWaalsContact NE2-NH2 3.1Å; H95-R98 PolarHBondContact O-N 3.43Å; H95-R98 VanDerWaalsContact O-N 3.1Å; H95-L99 PolarHBondContact O-N 3.26Å
96V95.1Very high94.2Very high15 Ų1566.3 Ų66.39%0.09133%0.33CS..Hα-helixtrans-54.5-48173.1-174.90000111.1F80 M84 M89 K92 P93 R98 L99 Q100F80-V96 HydrophobicContact CE1-CG1 3.63Å; F80-V96 HydrophobicContact CZ-CG1 4.19Å; M84-V96 HydrophobicContact CB-CG2 4.39Å; M84-V96 HydrophobicContact CG-CG1 4.02Å; M84-V96 HydrophobicContact CG-CG2 4Å; M84-V96 HydrophobicContact SD-CG1 4.27Å; M84-V96 HydrophobicContact SD-CG2 4.1Å; M89-V96 HydrophobicContact CB-CG2 4.24Å; M89-V96 WeakPolarHBondContact O-CG2 3.2Å; K92-V96 PolarHBondContact O-N 3.07Å; P93-V96 PolarHBondContact O-N 2.78Å; V96-R98 PolarHBondContact O-N 2.75Å; V96-L99 PolarHBondContact O-N 3.13Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 WeakPolarHBondContact O-CB 3.49Å; V96-Q100 WeakPolarHBondContact O-CG 3.34Å; V96-Q100 PolarHBondContact O-N 2.96Å
97R95.8Very high94Very high172 Ų17264.7 Ų64.765%0.64933%0.33SS*.Hα-helixtrans-62.6-37176.6-69.1-59.9-171.8-161.63.7113.6P93 H95 K101P93-R97 VanDerWaalsContact O-CG 3.32Å; P93-R97 WeakPolarHBondContact O-CG 3.44Å; P93-R97 PolarHBondContact O-N 2.96Å; H95-R97 VanDerWaalsContact C-N 3.34Å; H95-R97 PolarHBondContact O-N 3.36Å; R97-K101 WeakPolarHBondContact O-CB 3.34Å; R97-K101 PolarHBondContact O-N 3.16Å; R97-K101 VanDerWaalsContact O-N 3.13Å
98R96.8Very high93.7Very high86 Ų8669.9 Ų69.933%0.32536%0.362SS..Hα-helixtrans-68.3-40.4175.2-77.6-170.9-67.2144.1-12.8111.9A52 N53 L54 L94 H95 V96 A102A52-R98 PolarHBondContact O-NH1 3.03Å; N53-R98 PolarHBondContact O-NH1 2.9Å; L54-R98 HydrophobicContact CD1-CB 4.26Å; L94-R98 VanDerWaalsContact O-CG 3.31Å; L94-R98 WeakPolarHBondContact O-CG 3.19Å; L94-R98 PolarHBondContact O-N 3.06Å; H95-R98 PolarHBondContact CD2-NH2 3.22Å; H95-R98 PolarHBondContact NE2-NH2 3.08Å; H95-R98 VanDerWaalsContact NE2-NH2 3.1Å; H95-R98 PolarHBondContact O-N 3.43Å; H95-R98 VanDerWaalsContact O-N 3.1Å; V96-R98 PolarHBondContact O-N 2.75Å; R98-A102 PolarHBondContact O-N 3.31Å
99L96Very high93.4Very high0 Ų071.5 Ų71.50%036%0.361CS..Hα-helixtrans-65.9-51175.4-177.860.4000111.6V48 L49 L54 F61 M84 M89 H95 V96 K101 A102 L103V48-L99 HydrophobicContact CG1-CD1 4.09Å; L49-L99 HydrophobicContact CD2-CD1 3.94Å; L54-L99 HydrophobicContact CD1-CB 3.75Å; F61-L99 HydrophobicContact CE2-CD2 4.33Å; F61-L99 HydrophobicContact CZ-CD2 3.78Å; M84-L99 HydrophobicContact CE-CD2 3.71Å; M84-L99 HydrophobicContact SD-CD2 3.86Å; M89-L99 HydrophobicContact CE-CD2 3.84Å; M89-L99 HydrophobicContact SD-CD2 4.37Å; H95-L99 PolarHBondContact O-N 3.26Å; V96-L99 PolarHBondContact O-N 3.13Å; L99-K101 PolarHBondContact O-N 3.45Å; L99-A102 PolarHBondContact O-N 2.84Å; L99-L103 HydrophobicContact CD1-CD1 4.05Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.77Å; L99-L103 HydrophobicContact CG-CG 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.44Å
100Q94.9Very high92.8Very high54 Ų5474.9 Ų74.925%0.25238%0.384SS..Hα-helixtrans-53.4-39.9176.2-75.8-179.2-24.400112.2F80 V96 R104F80-Q100 HydrophobicContact CE1-CG 3.77Å; F80-Q100 HydrophobicContact CZ-CG 3.6Å; V96-Q100 HydrophobicContact CG1-CG 4.34Å; V96-Q100 WeakPolarHBondContact O-CB 3.49Å; V96-Q100 WeakPolarHBondContact O-CG 3.34Å; V96-Q100 PolarHBondContact O-N 2.96Å; Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 PolarHBondContact O-N 2.8Å; Q100-R104 VanDerWaalsContact O-N 3.13Å
101K95Very high92.2Very high128 Ų12874.3 Ų74.356%0.55738%0.382SS*.Hα-helixtrans-66.1-47.2174.8-179.5176.5168178.90111.8R97 L99 R104 E105R97-K101 WeakPolarHBondContact O-CB 3.34Å; R97-K101 PolarHBondContact O-N 3.16Å; R97-K101 VanDerWaalsContact O-N 3.13Å; L99-K101 PolarHBondContact O-N 3.45Å; K101-R104 PolarHBondContact O-N 2.72Å; K101-E105 WeakPolarHBondContact CE-OE1 3.43Å; K101-E105 IonicContact NZ-OE1 2.69Å; K101-E105 WeakPolarHBondContact O-CG 3.14Å; K101-E105 PolarHBondContact O-N 2.8Å
102A94.8Very high91.4Very high4 Ų472.5 Ų72.53%0.03337%0.367CS..Hα-helixtrans-66.9-38.8-178.900000112.9V48 A52 R98 L99 E105 W106V48-A102 HydrophobicContact CG1-CB 3.95Å; A52-A102 HydrophobicContact CB-CB 3.79Å; R98-A102 PolarHBondContact O-N 3.31Å; L99-A102 PolarHBondContact O-N 2.84Å; A102-E105 PolarHBondContact O-N 3.46Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.74Å
103L94.8Very high90.5Very high8 Ų868.2 Ų68.24%0.04235%0.349CS..Hα-helixtrans-61.9-44.2172.9-72.9171000111.3V48 V69 L72 F80 L99 W106 A107V48-L103 HydrophobicContact CG1-CD2 3.98Å; V48-L103 HydrophobicContact CG1-CG 4.28Å; V69-L103 HydrophobicContact CG1-CD2 3.78Å; L72-L103 HydrophobicContact CB-CD1 4.27Å; L72-L103 HydrophobicContact CB-CD2 4.08Å; F80-L103 HydrophobicContact CE2-CD1 4.06Å; L99-L103 HydrophobicContact CD1-CD1 4.05Å; L99-L103 HydrophobicContact CD1-CG 3.99Å; L99-L103 HydrophobicContact CD2-CD1 4.39Å; L99-L103 HydrophobicContact CG-CD1 3.77Å; L99-L103 HydrophobicContact CG-CG 4.19Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 3.44Å; L103-W106 PolarHBondContact O-N 2.95Å; L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.04Å
104R93.3Very high89.4Confident171 Ų17168.5 Ų68.565%0.64535%0.353SS*.Hα-helixtrans-65-40.2175.7-168.3-177.8-59.1142.94.6112.8Q100 K101 W106 T108Q100-R104 WeakPolarHBondContact O-CB 3.17Å; Q100-R104 PolarHBondContact O-N 2.8Å; Q100-R104 VanDerWaalsContact O-N 3.13Å; K101-R104 PolarHBondContact O-N 2.72Å; R104-W106 VanDerWaalsContact C-N 3.32Å; R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.03Å; R104-T108 PolarHBondContact O-OG1 3.14Å
105E92.4Very high87.8Confident68 Ų6868.5 Ų68.532%0.31835%0.349SS..Hα-helixtrans-61.5-41172.5-77.6-179.6-160.300111.5R51 K101 A102 N109 F113R51-E105 IonicContact NE-OE2 3.85Å; R51-E105 PolarHBondContact NE-OE2 2.67Å; K101-E105 WeakPolarHBondContact CE-OE1 3.43Å; K101-E105 IonicContact NZ-OE1 2.69Å; K101-E105 WeakPolarHBondContact O-CG 3.14Å; K101-E105 PolarHBondContact O-N 2.8Å; A102-E105 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-N 2.88Å; E105-N109 VanDerWaalsContact O-N 3.12Å; E105-F113 HydrophobicContact CB-CE2 4.24Å; E105-F113 HydrophobicContact CB-CZ 4.04Å
106W92.6Very high86Confident18 Ų1871.4 Ų71.47%0.06837%0.372CS..Hα-helixtrans-66-49.5177.1-178.293.5000112V48 V69 Q70 A102 L103 R104 T108 N109 P110 F113V48-W106 HydrophobicContact CG2-CB 3.99Å; V48-W106 HydrophobicContact CG2-CG 3.83Å; V69-W106 HydrophobicContact CB-CE3 4.5Å; V69-W106 HydrophobicContact CB-CH2 4Å; V69-W106 HydrophobicContact CB-CZ2 3.99Å; V69-W106 HydrophobicContact CB-CZ3 4.26Å; V69-W106 HydrophobicContact CG1-CD2 3.56Å; V69-W106 HydrophobicContact CG1-CE3 3.59Å; V69-W106 HydrophobicContact CG1-CG 4.15Å; V69-W106 HydrophobicContact CG1-CH2 3.97Å; V69-W106 HydrophobicContact CG1-CZ2 3.94Å; V69-W106 HydrophobicContact CG1-CZ3 3.8Å; Q70-W106 HydrophobicContact CB-CH2 4.43Å; A102-W106 WeakPolarHBondContact O-CB 3.49Å; A102-W106 PolarHBondContact O-N 2.74Å; L103-W106 PolarHBondContact O-N 2.95Å; R104-W106 VanDerWaalsContact C-N 3.32Å; W106-T108 PolarHBondContact O-N 2.93Å; W106-N109 CarbonylContact O-C 3.12Å; W106-N109 PolarHBondContact O-N 3.44Å; W106-N109 VanDerWaalsContact O-N 3.09Å; W106-P110 HydrophobicContact CD2-CB 4.42Å; W106-P110 HydrophobicContact CZ2-CB 4.36Å; W106-P110 WeakPolarHBondContact O-CA 3.37Å; W106-P110 VanDerWaalsContact O-CD 3.24Å; W106-P110 WeakPolarHBondContact O-CD 3.47Å; W106-F113 HydrophobicContact CB-CD2 4.07Å; W106-F113 HydrophobicContact CB-CE1 4.29Å; W106-F113 HydrophobicContact CB-CE2 3.73Å; W106-F113 HydrophobicContact CB-CZ 3.83Å; W106-F113 AromaticContact CD1-CD2 3.72Å; W106-F113 AromaticContact CD1-CG 3.59Å; W106-F113 HydrophobicContact CG-CD2 4.25Å; W106-F113 HydrophobicContact CG-CE2 4.4Å; W106-F113 HydrophobicContact CG-CG 4.45Å
107A89.8Confident84Confident57 Ų5773.7 Ų73.747%0.47139%0.386SS..Hα-helixtrans-61.5-32.2177.900000112.9L103L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.04Å
108T88.9Confident81.5Confident115 Ų11570.5 Ų70.571%0.70639%0.388SS*.Hα-helixtrans-74.6-32.3176.3-52.10000112.2R104 W106R104-T108 WeakPolarHBondContact O-CB 3.34Å; R104-T108 PolarHBondContact O-N 3.03Å; R104-T108 PolarHBondContact O-OG1 3.14Å; W106-T108 PolarHBondContact O-N 2.93Å
109N86.1Confident78.8Confident73 Ų7371 Ų7139%0.3941%0.409SS..  trans-158.287.3178.8-169.1-19.9000112E105 W106 G111 L112E105-N109 PolarHBondContact O-N 2.88Å; E105-N109 VanDerWaalsContact O-N 3.12Å; W106-N109 CarbonylContact O-C 3.12Å; W106-N109 PolarHBondContact O-N 3.44Å; W106-N109 VanDerWaalsContact O-N 3.09Å; N109-G111 PolarHBondContact O-N 2.95Å; N109-G111 PolarHBondContact OD1-N 3.1Å; N109-L112 HydrophobicContact CB-CD1 3.89Å; N109-L112 HydrophobicContact CB-CG 4.04Å; N109-L112 PolarHBondContact O-N 3.36Å; N109-L112 VanDerWaalsContact O-N 3.14Å
110P81.4Confident76.1Confident72 Ų7276.8 Ų76.847%0.46845%0.445SS..THydrogen-bonded Turntrans-67.5-22.4-177.324.8-33.1000112.3W106 L112 F113W106-P110 HydrophobicContact CD2-CB 4.42Å; W106-P110 HydrophobicContact CZ2-CB 4.36Å; W106-P110 WeakPolarHBondContact O-CA 3.37Å; W106-P110 VanDerWaalsContact O-CD 3.24Å; W106-P110 WeakPolarHBondContact O-CD 3.47Å; P110-L112 PolarHBondContact O-N 2.94Å; P110-F113 PolarHBondContact O-N 3.24Å; P110-F113 VanDerWaalsContact O-N 3.07Å
111G78.9Confident73.2Confident36 Ų3678.6 Ų78.637%0.37146%0.461SS..Hα-helixtrans-63.6-19174.400000114.6N109 F113 S114N109-G111 PolarHBondContact O-N 2.95Å; N109-G111 PolarHBondContact OD1-N 3.1Å; G111-F113 PolarHBondContact O-N 3.2Å; G111-S114 PolarHBondContact O-OG 3.1Å; G111-S114 VanDerWaalsContact O-OG 3.11Å
112L75.1Confident70.9Confident84 Ų8480 Ų8044%0.4448%0.48SS..Hα-helixtrans-74.1-12173.2-67.9177000113.7N109 P110N109-L112 HydrophobicContact CB-CD1 3.89Å; N109-L112 HydrophobicContact CB-CG 4.04Å; N109-L112 PolarHBondContact O-N 3.36Å; N109-L112 VanDerWaalsContact O-N 3.14Å; P110-L112 PolarHBondContact O-N 2.94Å
113F76.2Confident68.3Low8 Ų884.4 Ų84.44%0.03551%0.511CS..Hα-helixtrans-108.3-13.9-176.7-67.7-107.7000112.9R47 V48 R51 E105 W106 P110 G111R47-F113 HydrophobicContact CB-CB 4.23Å; R47-F113 HydrophobicContact CB-CD1 4.32Å; R47-F113 WeakPolarHBondContact CG-O 3.25Å; V48-F113 HydrophobicContact CB-CE1 4.48Å; V48-F113 HydrophobicContact CG2-CD1 3.97Å; V48-F113 HydrophobicContact CG2-CE1 3.98Å; R51-F113 HydrophobicContact CB-CD1 4.47Å; R51-F113 HydrophobicContact CB-CE1 3.88Å; R51-F113 HydrophobicContact CG-CE1 4.21Å; E105-F113 HydrophobicContact CB-CE2 4.24Å; E105-F113 HydrophobicContact CB-CZ 4.04Å; W106-F113 HydrophobicContact CB-CD2 4.07Å; W106-F113 HydrophobicContact CB-CE1 4.29Å; W106-F113 HydrophobicContact CB-CE2 3.73Å; W106-F113 HydrophobicContact CB-CZ 3.83Å; W106-F113 AromaticContact CD1-CD2 3.72Å; W106-F113 AromaticContact CD1-CG 3.59Å; W106-F113 HydrophobicContact CG-CD2 4.25Å; W106-F113 HydrophobicContact CG-CE2 4.4Å; W106-F113 HydrophobicContact CG-CG 4.45Å; P110-F113 PolarHBondContact O-N 3.24Å; P110-F113 VanDerWaalsContact O-N 3.07Å; G111-F113 PolarHBondContact O-N 3.2Å
114S68.1Low65.5Low94 Ų9489.4 Ų89.466%0.65755%0.547SS*.Hα-helixtrans-80-25.1172.960.10000113.2G111G111-S114 PolarHBondContact O-OG 3.1Å; G111-S114 VanDerWaalsContact O-OG 3.11Å
115Q62.5Low63Low133 Ų13387.9 Ų87.962%0.62155%0.55SS*.SBendtrans-67.1142.8173-66.1-164.51.400111.1V117Q115-V117 PolarHBondContact O-N 3.14Å
116P56.7Low60.5Low103 Ų10389.6 Ų89.667%0.66957%0.567SS**  trans-57.9113.2166-17.730.2000108.2P118P116-P118 WeakPolarHBondContact O-CD 3.46Å; P116-P118 VanDerWaalsContact O-N 3.08Å
117V54.6Low57.9Low63 Ų6396.3 Ų96.338%0.38260%0.603SS.*  trans-53.2121.3170.9-169.60000106.2Q115 A119Q115-V117 PolarHBondContact O-N 3.14Å; V117-A119 PolarHBondContact O-N 2.93Å
118P43.8Very low55.3Low106 Ų106102.4 Ų102.469%0.68862%0.619SS**  trans-53119.3179.5-2734.7000107.8P116 V120P116-P118 WeakPolarHBondContact O-CD 3.46Å; P116-P118 VanDerWaalsContact O-N 3.08Å; P118-V120 VanDerWaalsContact C-N 3.25Å; P118-V120 PolarHBondContact O-N 3.38Å
119A40Very low53.1Low95 Ų95106.7 Ų106.779%0.78563%0.628SS**  trans-63.497.317500000106.1V117 P121V117-A119 PolarHBondContact O-N 2.93Å; A119-P121 WeakPolarHBondContact O-CD 3.17Å
120V37.6Very low50.9Low122 Ų122110.9 Ų110.974%0.73965%0.649SS**  trans-57.1113.9175.5-178.90000104.9P118 V122P118-V120 VanDerWaalsContact C-N 3.25Å; P118-V120 PolarHBondContact O-N 3.38Å; V120-V122 PolarHBondContact O-N 2.97Å; V120-V122 VanDerWaalsContact O-N 3.07Å
121P35.6Very low48.3Very low92 Ų92112.5 Ų112.560%0.59766%0.662SS**  trans-61.7122.6-178.824.3-31.9000107A119 S123A119-P121 WeakPolarHBondContact O-CD 3.17Å; P121-S123 PolarHBondContact O-N 3.39Å
122V45.1Very low45.9Very low158 Ų158120.3 Ų120.396%0.95869%0.689SS**SBendtrans-73.364.8171.2-175.70000107.5V120V120-V122 PolarHBondContact O-N 2.97Å; V120-V122 VanDerWaalsContact O-N 3.07Å
123S41.4Very low43.7Very low97 Ų97122.3 Ų122.368%0.67870%0.704SS**  trans-170.372.9-172.2175.40000110.7P121P121-S123 PolarHBondContact O-N 3.39Å
124S36Very low41.6Very low113 Ų113126.5 Ų126.579%0.7974%0.74SS**  trans-144.139.8160.849.90000112.4
125I41Very low39.9Very low139 Ų139125.8 Ų125.871%0.71375%0.748SS**SBendtrans-83.3122.3147.9-60.2174.3000106L127I125-L127 PolarHBondContact O-N 2.96Å
126P39.1Very low38.6Very low104 Ų104125.6 Ų125.668%0.67576%0.756SS**  trans-69.296.3174.627.6-32.7000109.6F128P126-F128 PolarHBondContact O-N 3.27Å
127L37.9Very low37.6Very low159 Ų159131.9 Ų131.983%0.83277%0.767SS**  trans-74.9115.3174.6-78.7168.9000109.9I125 K129I125-L127 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 2.73Å
128F35.9Very low36.8Very low184 Ų184139.1 Ų139.181%0.80779%0.793SS**  trans-65.9120.8168.9-62.8-88.5000109.4P126 I130P126-F128 PolarHBondContact O-N 3.27Å; F128-I130 PolarHBondContact O-N 3.49Å
129K41.3Very low36.3Very low206 Ų206137.3 Ų137.390%0.89679%0.794SS**  trans-27.3101.9172-167.6174.8-173.8174.70113.9L127L127-K129 PolarHBondContact O-N 2.73Å
130I40Very low35.7Very low160 Ų160139 Ų13982%0.82180%0.8SS**  trans-118.8132.7157.647.9164.9000108.3F128F128-I130 PolarHBondContact O-N 3.49Å
131S28.1Very low35.6Very low106 Ų106141.8 Ų141.874%0.74181%0.807SS**  trans-68.1143.2-172.4-58.20000112.3T133S131-T133 PolarHBondContact O-N 2.94Å
132E28.1Very low35.3Very low201 Ų201143 Ų14394%0.93982%0.817SS**  trans-64.8127.3171.1-163.4173.7118.900110.2
133T29.8Very low34.6Very low125 Ų125143 Ų14377%0.76781%0.812SS**  trans-140.3140.8174.6148.50000109.2S131S131-T133 PolarHBondContact O-N 2.94Å
134A30.7Very low34.1Very low96 Ų96142 Ų14279%0.79382%0.817SS**  trans74.670.5176.100000117.1
135G33Very low33.9Very low79 Ų79146.5 Ų146.581%0.81483%0.825SS**  trans-79.5134.7147.300000111.4
136T34.3Very low33.3Very low130 Ų130143 Ų14380%0.79882%0.824SS**  trans-65.1132.7179.5-50.10000113.2
137R37.3Very low32.9Very low235 Ų235143.9 Ų143.989%0.88783%0.832SS**  176.4142.6121-96.9178.5-69.8-166.94.4114.7
138K36.7Very low33.6Very low214 Ų214142.5 Ų142.593%0.9383%0.833SS**  trans-81.2130.5166.8172.5-170.7-179.3-175.60109.1
139G32.8Very low33.2Very low69 Ų69137 Ų13771%0.71183%0.827SS**  trans170.2108.5170.400000117.8
140S28.6Very low32.8Very low131 Ų131134.4 Ų134.492%0.91682%0.819SS**  trans70.8160156.5-141.80000119.9
141M35.7Very low32.5Very low180 Ų180135.3 Ų135.389%0.88782%0.817SS**  trans-122147.4-166.2-42.8179.677.200110.6
142S29.3Very low32.7Very low116 Ų116135 Ų13581%0.81182%0.821SS**  trans-177.7152.8136.3-162.10000112.9
143N30.7Very low32.8Very low159 Ų159129 Ų12985%0.8581%0.813SS**  trans-25133.4174.6-72.3-0.8000119.8
144G29.9Very low32.7Very low75 Ų75128.9 Ų128.977%0.77382%0.817SS**  110.4129.286.300000120.1
145H31.3Very low32.9Very low208 Ų208128.4 Ų128.496%0.96381%0.813SS**  trans83.8132.8149.4-139.8-93.5000120.1
146G29.3Very low32.9Very low67 Ų67136 Ų13669%0.69182%0.817SS**  trans113.979.5154.300000119.2
147S31.2Very low32.9Very low122 Ų122134.3 Ų134.385%0.85381%0.81SS**  trans-120.1171.9149.7-76.30000107.3
148P51.4Low32.5Very low130 Ų130132.8 Ų132.884%0.84481%0.81SS**  cis-140.4-175.910.343-25.1000116.5
149G28.2Very low32.2Very low67 Ų67127.9 Ų127.969%0.69180%0.803SS**  trans104.4148.3147.300000116.9
150E32.1Very low32.5Very low152 Ų152130.1 Ų130.171%0.7181%0.805SS**  cis-156.4151.1-8.2-74.6-165.682.700110
151K34.8Very low32.6Very low179 Ų179133.8 Ų133.878%0.77881%0.805SS**  trans51.8165.8147.2-69.7170.8-174.31440120.1
152A31.5Very low32.2Very low101 Ų101130.6 Ų130.684%0.83580%0.8SS**  cis-170.5159.2-35.600000106.8
153G30.1Very low32.5Very low74 Ų74131.3 Ų131.376%0.76380%0.802SS**  trans126.6107.6154.100000119.2
154S28.9Very low32.4Very low123 Ų123131.9 Ų131.986%0.8680%0.804SS**  58.5105.8129.2-145.20000122.2
155A33.5Very low32.8Very low85 Ų85137.2 Ų137.270%0.70281%0.809SS**  trans23.7127.8131.900000121.5
156R32.8Very low32.7Very low240 Ų240135.5 Ų135.591%0.90681%0.806SS**  -172.1151.9103.9-99.4166.5179.4-167.5-1.2112.4
157S33.8Very low32.7Very low94 Ų94135.4 Ų135.466%0.65781%0.805SS**  trans-71.8146.916853.60000111.5
158F29.5Very low32.5Very low202 Ų202139.2 Ų139.289%0.88681%0.809SS**  trans-170.1138.1133.9-85.7-58.4000111.2
159S30.4Very low31.6Very low112 Ų112141.8 Ų141.878%0.78381%0.807SS**  trans-114.5147.5155-61.40000105.7
160P39.3Very low31.7Very low115 Ų115147 Ų14775%0.74782%0.818SS**  -158.8163.978.141.1-20.8000119.2
161K30.9Very low31.7Very low208 Ų208144.6 Ų144.690%0.90482%0.818SS**  trans64.5151.2142.2-78.5175.9174.8174.60122.3
162S27.5Very low32.6Very low113 Ų113141.1 Ų141.179%0.7981%0.813SS**PPolyproline II helixtrans-77.2159.2-169.5-42.90000115.3
163P34.4Very low32.7Very low131 Ų131144.1 Ų144.185%0.85182%0.815SS**PPolyproline II helixtrans-79.8161.6173.6-927.6000114.1
164L29.9Very low33.4Very low171 Ų171146.4 Ų146.490%0.89582%0.816SS**PPolyproline II helixtrans-101.8165.1166.7-109.8151.7000110.4
165E37Very low33.3Very low187 Ų187144.4 Ų144.487%0.87482%0.815SS**PPolyproline II helixtrans-57.5144.9-174.9-66.1-93.810400116.1
166L30.8Very low32.9Very low173 Ų173144 Ų14491%0.90682%0.818SS**  trans-159.6131.1159.8-173.1136.3000106.9
167G28.6Very low33.3Very low64 Ų64139 Ų13966%0.6682%0.818SS**  cis132.5972.100000110.1
168E28.1Very low33Very low202 Ų202138 Ų13894%0.94482%0.822SS**  trans-129.3149.6179.6-69.9-163.6109.100113.5
169K31.4Very low33Very low184 Ų184133.8 Ų133.880%0.882%0.824SS**  trans-104.4153.1-162.7-66.5165.9163.2-74.30112.7
170L29.7Very low32.9Very low178 Ų178132.3 Ų132.393%0.93283%0.827SS**  trans-142159.6135.8-72.9-177.2000110.5
171S33Very low32.6Very low101 Ų101134.1 Ų134.171%0.70683%0.83SS**  trans-157.1-176.5-177.4-51.90000107.7
172P54.3Low33.1Very low105 Ų105128 Ų12868%0.68281%0.812SS**  cis-144.31641.442.1-23.1000118.7
173L32.3Very low33.4Very low164 Ų164132.6 Ų132.686%0.85981%0.812SS**  trans62.1169.2140.1-73.8170.3000122
174P44.7Very low33.3Very low123 Ų123132.6 Ų132.680%0.79980%0.803SS**  cis-129.9167.2-11.528.6-7.8000116.4
175G27.3Very low33.1Very low81 Ų81135.6 Ų135.684%0.83580%0.803SS**  trans16795.8162.900000114.6
176G26.3Very low33.4Very low75 Ų75131.9 Ų131.977%0.77380%0.795SS**  trans-104.9-159.2171.600000112.3
177P40.1Very low33.2Very low137 Ų137127.2 Ų127.289%0.8979%0.789SS**  cis-140.1-177.79.543-25.1000116.5
178G27.4Very low33.2Very low73 Ų73135.9 Ų135.975%0.75380%0.802SS**  trans98.8110.8159.900000114.9
179A30.2Very low33.2Very low112 Ų112131.2 Ų131.293%0.92679%0.791SS**  cis95.6124.942.900000113.5
180G28.9Very low33.1Very low81 Ų81129.1 Ų129.184%0.83579%0.794SS**  trans11598163.400000117.4
181D32.2Very low33.6Very low154 Ų154125.8 Ų125.882%0.82478%0.783SS**  trans-66.6159.3140.9-162.839.6000107.6
182P40.8Very low33.3Very low80 Ų80129.1 Ų129.152%0.51979%0.788SS.*  cis-142.7-174.712.742.2-21.7000116.8
183R34Very low32.3Very low209 Ų209129.1 Ų129.179%0.78979%0.79SS**  trans51.8125.6140.8-84.5-169.3-63.2175.80121.9
184I32Very low32.3Very low131 Ų131128.2 Ų128.267%0.67279%0.786SS**  trans96.7146.1141.2-58.2153.2000119.3
185W26.9Very low31.7Very low233 Ų233128.7 Ų128.788%0.88379%0.786SS**  trans76.9163.1165.7-74.4136.1000119.2
186P43.7Very low31.8Very low109 Ų109128.1 Ų128.171%0.70878%0.781SS**  cis-130.1174.1-38.336.1-20.4000113
187G25.4Very low32Very low76 Ų76129.7 Ų129.778%0.78479%0.786SS**  trans-81.6175.1-17900000115.2
188R28.5Very low31.5Very low246 Ų246127 Ų12793%0.92878%0.784SS**  trans-151.7131.2158.3-157.6167.7-170.9-101.92.2111.9
189S27.5Very low31.6Very low104 Ų104127.1 Ų127.173%0.72779%0.785SS**  trans-77.3159.5180-31.80000112.9
190T31Very low31.7Very low139 Ų139131 Ų13185%0.85378%0.783SS**  trans-130.3144.8150.947.50000108.9
191P39.7Very low32Very low108 Ų108135.7 Ų135.770%0.70178%0.784SS**  trans-127.2179-15037.4-18.2000116
192E26.6Very low32.1Very low172 Ų172136.2 Ų136.280%0.80478%0.781SS**  trans78.5111.7161.5-45.3-158.293.400117
193S33.5Very low31.7Very low105 Ų105136.2 Ų136.273%0.73479%0.788SS**  89.8144.373.2-60.30000111.3
194D31.2Very low31.3Very low144 Ų144130 Ų13077%0.7779%0.789SS**  cis-156.7-177.216.2-154.7-81.7000111.6
195V32.5Very low31.2Very low133 Ų133129.2 Ų129.281%0.80680%0.795SS**  trans70.6121.7171.3-162.80000115.5
196G29.4Very low32.3Very low70 Ų70123.9 Ų123.972%0.72279%0.791SS**  cis119139.925.400000108.7
197A31.5Very low32.7Very low107 Ų107123.7 Ų123.788%0.88479%0.789SS**  cis-163.1171.34.600000111.3
198G28.8Very low32.8Very low81 Ų81130 Ų13084%0.83580%0.796SS**  trans85.2127.1176.100000113.4
199G29.4Very low33.1Very low75 Ų75123.3 Ų123.377%0.77379%0.786SS**  cis105.6129.644.100000107.1
200E32.4Very low34Very low193 Ų193124.2 Ų124.290%0.90279%0.79SS**  cis-162.2-166.610.957.8-153.47100110.3
201E35.3Very low34.5Very low181 Ų181123.7 Ų123.785%0.84679%0.789SS**  trans-98.4175.3-173.1-56.8179.5104.400111.9
202E34.1Very low34.1Very low165 Ų165123.5 Ų123.577%0.77180%0.796SS**  cis-158-178.312.8-141.2-89.288.900109.2
203A32.2Very low34.2Very low79 Ų79119.3 Ų119.365%0.65380%0.799SS**  trans37.5143.3149.600000124.3
204G26.7Very low34.1Very low78 Ų78118.4 Ų118.480%0.80481%0.807SS**  trans130.7113.1132.500000118.2
205S29.1Very low33.9Very low116 Ų116115.4 Ų115.481%0.81181%0.81SS**  trans-99.9-177.7154.1-43.80000108.8
206P49Very low34Very low121 Ų121115.9 Ų115.979%0.78681%0.812SS**  cis-131.2-120.6-2.524.73.4000113.5
207P53.8Low34.9Very low105 Ų105117.9 Ų117.968%0.68281%0.813SS**  -124173-10540-24.4000115.5
208F26.7Very low34.9Very low209 Ų209122.4 Ų122.492%0.91782%0.816SS**  trans-152.1144.7153.4-102.7-76.4000114.6
209S34.3Very low34.9Very low105 Ų105122.3 Ų122.373%0.73481%0.814SS**  trans-142163.7162.6-61.80000105
210P46.3Very low35.1Very low122 Ų122126.2 Ų126.279%0.79282%0.824SS**  cis-144.4-139.338.638.7-11.9000109.8
211P42.7Very low34.8Very low129 Ų129120.6 Ų120.684%0.83882%0.817SS**  cis-131.3-168-9.238.4-16.3000116.1
212A31.7Very low34.8Very low104 Ų104117.4 Ų117.486%0.8682%0.822SS**  trans-125.6172.7-163.900000114.5
213G28.6Very low34.6Very low84 Ų84113.2 Ų113.287%0.86682%0.823SS**  trans100.9139.5168.100000114
214G30.4Very low34.4Very low86 Ų86112.9 Ų112.989%0.88783%0.827SS**  cis155.5136.7-4.200000110.6
215G26.8Very low34.9Very low81 Ų81117.8 Ų117.884%0.83583%0.834SS**  trans134.9135.217200000116.2
216V34.7Very low35.1Very low142 Ų142117.4 Ų117.486%0.86184%0.838SS**  trans-128.1153.2166.1-112.40000105.9
217P48.8Very low34.5Very low113 Ų113116.7 Ų116.773%0.73484%0.842SS**  -154.7176.869.140.7-19.3000118.5
218E31.9Very low33.4Very low202 Ų202115.7 Ų115.794%0.94485%0.851SS**  trans33.7134.5154-83.3-176.591.900123.4
219G27.8Very low33.6Very low78 Ų78109.1 Ų109.180%0.80484%0.842SS**  trans172.8110.4162.400000114.8
220T33.1Very low33.6Very low158 Ų158111.2 Ų111.297%0.96985%0.851SS**  trans-55.5135.3177.9-36.10000114.3
221G27Very low33.2Very low75 Ų75109.4 Ų109.477%0.77385%0.854SS**  trans177.2141.917000000113.9
222A35.5Very low32.8Very low113 Ų113106.1 Ų106.193%0.93484%0.843SS**  trans-92149.3-175.700000113.2
223G29Very low33.6Very low78 Ų78102.9 Ų102.980%0.80482%0.82SS**  trans125.5116.8154.200000116.8
224G29.6Very low34.9Very low71 Ų71103.8 Ų103.873%0.73281%0.811SS**  trans79.4110.7136.100000120.2
225L35.4Very low36.7Very low181 Ų181106 Ų10695%0.94880%0.802SS**  trans60.389.4135.2-53.1173.6000119
226A34.8Very low39.3Very low108 Ų108112.2 Ų112.289%0.89380%0.801SS**  -178.3119125.400000110.9
227A34.8Very low41.8Very low107 Ų107106.2 Ų106.288%0.88476%0.764SS**  trans-140.188167.900000109.6
228G31.3Very low43.8Very low83 Ų83105.6 Ų105.686%0.85675%0.751SS**  trans-84.8132.5165.700000110.4
229G32.2Very low46.6Very low71 Ų71100.4 Ų100.473%0.73273%0.734SS**  trans87.892.2159.700000117.5
230T33.7Very low49.6Very low150 Ų150100.5 Ų100.592%0.9271%0.714SS**  -175.2146120.8230000109.7G232T230-G232 PolarHBondContact O-N 3.43Å
231G36.9Very low52.3Low84 Ų8494.2 Ų94.287%0.86667%0.674SS**  trans-74.773-167.800000115.5
232G34.8Very low55.5Low59 Ų5992.3 Ų92.361%0.60865%0.647SS**  trans-90.5113.3164.500000111.3T230T230-G232 PolarHBondContact O-N 3.43Å
233G48.9Very low58.3Low36 Ų3694.1 Ų94.137%0.37163%0.63SS.*  trans-62.9153.4163.400000110.5D235G233-D235 PolarHBondContact O-N 3.44Å; G233-D235 VanDerWaalsContact O-N 3.13Å
234P55.3Low61.3Low104 Ų10490.9 Ų90.968%0.67559%0.594SS**  trans-67.7115.1-176.128.7-35000110.6R236 L320P234-R236 PolarHBondContact O-N 3.42Å; P234-R236 VanDerWaalsContact O-N 3.13Å; P234-L320 WeakPolarHBondContact O-CD1 3.43Å
235D69.4Low64.4Low132 Ų13287.5 Ų87.571%0.70656%0.559SS**SBendtrans-69.3-5.1177-159.242.8000112.9G233G233-D235 PolarHBondContact O-N 3.44Å; G233-D235 VanDerWaalsContact O-N 3.13Å
236R81.1Confident67.3Low212 Ų21280.5 Ų80.580%0.852%0.524SS*.SBendtrans-131.2141.6-179.3-173.8179.4176.5-162-0.4109.6P234P234-R236 PolarHBondContact O-N 3.42Å; P234-R236 VanDerWaalsContact O-N 3.13Å
237L87.3Confident70.1Confident16 Ų1680.2 Ų80.28%0.08450%0.504CS..  trans-60.8142.8173-69.4176.7000111.8M241 V242 L317 L320 E324L237-M241 HydrophobicContact CD1-CG 4.49Å; L237-M241 HydrophobicContact CD2-CG 4.23Å; L237-V242 HydrophobicContact CB-CG2 3.61Å; L237-V242 HydrophobicContact CD1-CG2 4.35Å; L237-L317 HydrophobicContact CD2-CD1 3.66Å; L237-L320 HydrophobicContact CD2-CB 3.48Å; L237-L320 VanDerWaalsContact CD2-CB 3.48Å; L237-L320 HydrophobicContact CD2-CD1 4.43Å; L237-L320 HydrophobicContact CG-CB 3.89Å; L237-E324 HydrophobicContact CD1-CB 3.43Å; L237-E324 VanDerWaalsContact CD1-CB 3.43Å; L237-E324 HydrophobicContact CD1-CG 3.91Å
238E90.3Very high72.9Confident100 Ų10075.1 Ų75.147%0.46746%0.462SS..  trans-59.9138.3169.5-178-69.3126.400109.9E240 M241 V242E238-E240 PolarHBondContact O-N 2.77Å; E238-E240 WeakPolarHBondContact OE1-CB 3.31Å; E238-E240 PolarHBondContact OE1-N 2.97Å; E238-E240 WeakPolarHBondContact OE2-CA 3.48Å; E238-E240 VanDerWaalsContact OE2-CB 3.32Å; E238-E240 WeakPolarHBondContact OE2-CB 3.32Å; E238-E240 PolarHBondContact OE2-N 3.32Å; E238-E240 VanDerWaalsContact OE2-N 3.09Å; E238-M241 WeakPolarHBondContact O-CB 3.38Å; E238-M241 PolarHBondContact O-N 2.87Å; E238-M241 VanDerWaalsContact O-N 3.1Å; E238-M241 PolarHBondContact OE2-N 2.99Å; E238-V242 PolarHBondContact O-N 3.08Å
239P90.9Very high76Confident92 Ų9271.1 Ų71.160%0.59742%0.421SS*.Hα-helixtrans-65.2-27.8-168.924-35.2000115.6V242 R243P239-V242 PolarHBondContact O-N 3.42Å; P239-R243 WeakPolarHBondContact O-CG 3.5Å; P239-R243 PolarHBondContact O-N 2.84Å; P239-R243 VanDerWaalsContact O-N 3.08Å
240E89.9Confident78.8Confident81 Ų8170.7 Ų70.738%0.37940%0.4SS..Hα-helixtrans-66.3-44.2169-170.2177.5166.600111.8E238 V242 R243 M244 K361E238-E240 PolarHBondContact O-N 2.77Å; E238-E240 WeakPolarHBondContact OE1-CB 3.31Å; E238-E240 PolarHBondContact OE1-N 2.97Å; E238-E240 WeakPolarHBondContact OE2-CA 3.48Å; E238-E240 VanDerWaalsContact OE2-CB 3.32Å; E238-E240 WeakPolarHBondContact OE2-CB 3.32Å; E238-E240 PolarHBondContact OE2-N 3.32Å; E238-E240 VanDerWaalsContact OE2-N 3.09Å; E240-V242 VanDerWaalsContact C-N 3.28Å; E240-V242 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3.38Å; E240-R243 VanDerWaalsContact O-N 3.14Å; E240-M244 WeakPolarHBondContact O-CG 3.44Å; E240-M244 PolarHBondContact O-N 3.3Å; E240-K361 IonicContact OE1-NZ 3.15Å; E240-K361 PolarHBondContact OE1-NZ 3.24Å
241M90.4Very high81.6Confident26 Ų2668.5 Ų68.513%0.12838%0.375CS..Hα-helixtrans-58.2-40172.7-176.559.766.300111.8L237 E238 M244 V245 S358L237-M241 HydrophobicContact CD1-CG 4.49Å; L237-M241 HydrophobicContact CD2-CG 4.23Å; E238-M241 WeakPolarHBondContact O-CB 3.38Å; E238-M241 PolarHBondContact O-N 2.87Å; E238-M241 VanDerWaalsContact O-N 3.1Å; E238-M241 PolarHBondContact OE2-N 2.99Å; M241-M244 WeakPolarHBondContact O-CB 3.43Å; M241-M244 PolarHBondContact O-N 3.1Å; M241-V245 WeakPolarHBondContact O-CG2 3.49Å; M241-V245 PolarHBondContact O-N 2.87Å; M241-S358 WeakPolarHBondContact CE-OG 3.44Å
242V93.7Very high84.2Confident34 Ų3464.8 Ų64.821%0.20634%0.335CS..Hα-helixtrans-61.1-45.8174.5178.10000111.3L237 E238 P239 E240 M244 V245 V246 E324L237-V242 HydrophobicContact CB-CG2 3.61Å; L237-V242 HydrophobicContact CD1-CG2 4.35Å; E238-V242 PolarHBondContact O-N 3.08Å; P239-V242 PolarHBondContact O-N 3.42Å; E240-V242 VanDerWaalsContact C-N 3.28Å; E240-V242 PolarHBondContact O-N 2.86Å; V242-M244 VanDerWaalsContact C-N 3.35Å; V242-M244 PolarHBondContact O-N 3.34Å; V242-V245 WeakPolarHBondContact O-CB 3.33Å; V242-V245 PolarHBondContact O-N 3.03Å; V242-V246 HydrophobicContact CG1-CG2 4.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.42Å; V242-V246 PolarHBondContact O-N 3.21Å; V242-E324 HydrophobicContact CG1-CG 4.41Å
243R94Very high86.6Confident151 Ų15163.9 Ų63.957%0.5731%0.314SS*.Hα-helixtrans-58.3-45175.4-70.7179.9-67.4174.94.2111.9P239 E240 V245 V246 E247P239-R243 WeakPolarHBondContact O-CG 3.5Å; P239-R243 PolarHBondContact O-N 2.84Å; P239-R243 VanDerWaalsContact O-N 3.08Å; E240-R243 PolarHBondContact O-N 3.38Å; E240-R243 VanDerWaalsContact O-N 3.14Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.9Å; R243-V246 PolarHBondContact O-N 3.07Å; R243-E247 WeakPolarHBondContact O-CG 3.35Å; R243-E247 PolarHBondContact O-N 3.2Å
244M92.6Very high88.4Confident10 Ų1070.7 Ų70.75%0.04933%0.329CS..Hα-helixtrans-60.3-38.3176.3-70.7-64.2-59.700113.2E240 M241 V242 S248 L357 K361E240-M244 WeakPolarHBondContact O-CG 3.44Å; E240-M244 PolarHBondContact O-N 3.3Å; M241-M244 WeakPolarHBondContact O-CB 3.43Å; M241-M244 PolarHBondContact O-N 3.1Å; V242-M244 VanDerWaalsContact C-N 3.35Å; V242-M244 PolarHBondContact O-N 3.34Å; M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.86Å; M244-S248 PolarHBondContact O-OG 3Å; M244-L357 HydrophobicContact CE-CB 3.38Å; M244-L357 HydrophobicContact CE-CD1 3.69Å; M244-L357 HydrophobicContact CE-CG 4.14Å; M244-K361 HydrophobicContact CE-CD 4.48Å; M244-K361 HydrophobicContact SD-CD 4.2Å; M244-K361 PolarHBondContact SD-NZ 3.09Å
245V95.5Very high89.5Confident0 Ų070 Ų700%033%0.327CS..Hα-helixtrans-66.2-48.1174.5166.50000110.4M241 V242 R243 S248 V249 T321 E324 A325 Q328 V350M241-V245 WeakPolarHBondContact O-CG2 3.49Å; M241-V245 PolarHBondContact O-N 2.87Å; V242-V245 WeakPolarHBondContact O-CB 3.33Å; V242-V245 PolarHBondContact O-N 3.03Å; R243-V245 VanDerWaalsContact C-N 3.31Å; R243-V245 PolarHBondContact O-N 2.9Å; V245-S248 PolarHBondContact O-N 3.26Å; V245-V249 HydrophobicContact CG1-CG2 4.3Å; V245-V249 WeakPolarHBondContact O-CB 3.44Å; V245-V249 VanDerWaalsContact O-CG2 3.32Å; V245-V249 WeakPolarHBondContact O-CG2 3.29Å; V245-V249 PolarHBondContact O-N 3.04Å; V245-T321 HydrophobicContact CG2-CG2 3.74Å; V245-E324 HydrophobicContact CG1-CB 4.49Å; V245-E324 HydrophobicContact CG1-CG 4.01Å; V245-A325 HydrophobicContact CG1-CB 3.94Å; V245-Q328 HydrophobicContact CG1-CG 4.44Å; V245-V350 HydrophobicContact CB-CG1 4.38Å; V245-V350 HydrophobicContact CG1-CG1 4.06Å; V245-V350 HydrophobicContact CG2-CG1 4.25Å
246V94.9Very high89.4Confident34 Ų3467.7 Ų67.721%0.20631%0.31CS..Hα-helixtrans-57.8-51.9178172.20000111.5V242 R243 S248 V249 E250 Q328V242-V246 HydrophobicContact CG1-CG2 4.4Å; V242-V246 WeakPolarHBondContact O-CG2 3.42Å; V242-V246 PolarHBondContact O-N 3.21Å; R243-V246 PolarHBondContact O-N 3.07Å; V246-S248 PolarHBondContact O-N 2.87Å; V246-V249 PolarHBondContact O-N 2.93Å; V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.83Å; V246-Q328 HydrophobicContact CG2-CG 4.18Å
247E94.1Very high88.6Confident102 Ų10263 Ų6348%0.47731%0.307SS..Hα-helixtrans-56.9-37178.2-73.9176-163.900112.5R243 R251R243-E247 WeakPolarHBondContact O-CG 3.35Å; R243-E247 PolarHBondContact O-N 3.2Å; E247-R251 WeakPolarHBondContact O-CB 3.49Å; E247-R251 PolarHBondContact O-N 3.15Å
248S94.1Very high87.5Confident0 Ų072.5 Ų72.50%034%0.342CS..Hα-helixtrans-78.3-39.5-178.5-56.30000112.4M244 V245 V246 E250 R251 I252M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.86Å; M244-S248 PolarHBondContact O-OG 3Å; V245-S248 PolarHBondContact O-N 3.26Å; V246-S248 PolarHBondContact O-N 2.87Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 3.29Å; S248-R251 VanDerWaalsContact CA-NH1 3.35Å; S248-R251 VanDerWaalsContact CB-NH1 3.32Å; S248-R251 PolarHBondContact O-N 3.05Å; S248-R251 PolarHBondContact OG-NH1 3.01Å; S248-R251 PolarHBondContact OG-NH2 2.97Å; S248-I252 WeakPolarHBondContact O-CB 3.45Å; S248-I252 VanDerWaalsContact O-CG1 3.3Å; S248-I252 WeakPolarHBondContact O-CG1 3.22Å; S248-I252 PolarHBondContact O-N 2.84Å
249V95Very high86.2Confident0 Ų069.3 Ų69.30%034%0.337CS..Hα-helixtrans-56.2-47.6168.7166.20000109.9V245 V246 I252 F253 A325 Q328 F329 V350V245-V249 HydrophobicContact CG1-CG2 4.3Å; V245-V249 WeakPolarHBondContact O-CB 3.44Å; V245-V249 VanDerWaalsContact O-CG2 3.32Å; V245-V249 WeakPolarHBondContact O-CG2 3.29Å; V245-V249 PolarHBondContact O-N 3.04Å; V246-V249 PolarHBondContact O-N 2.93Å; V249-I252 PolarHBondContact O-N 3.14Å; V249-F253 WeakPolarHBondContact O-CB 3.27Å; V249-F253 PolarHBondContact O-N 3.48Å; V249-A325 HydrophobicContact CG2-CB 4.42Å; V249-Q328 HydrophobicContact CB-CB 4.31Å; V249-Q328 HydrophobicContact CG1-CB 4.07Å; V249-Q328 HydrophobicContact CG2-CB 3.87Å; V249-F329 HydrophobicContact CB-CE1 4.35Å; V249-F329 HydrophobicContact CB-CZ 4.32Å; V249-F329 HydrophobicContact CG1-CD1 3.8Å; V249-F329 HydrophobicContact CG1-CE1 3.83Å; V249-F329 HydrophobicContact CG1-CG 4.21Å; V249-F329 HydrophobicContact CG1-CZ 4.27Å; V249-F329 HydrophobicContact CG2-CD2 4.17Å; V249-F329 HydrophobicContact CG2-CE1 4.36Å; V249-F329 HydrophobicContact CG2-CE2 3.86Å; V249-F329 HydrophobicContact CG2-CZ 3.95Å; V249-V350 HydrophobicContact CG2-CG1 4.4Å; V249-V350 HydrophobicContact CG2-CG2 3.9Å
250E92.9Very high85Confident61 Ų6170.2 Ų70.229%0.28534%0.336SS..Hα-helixtrans-65.9-41.1178.3-70.6-174.7176.800113.7V246 S248 I252 F253 R254 R332V246-E250 WeakPolarHBondContact O-CG 3.45Å; V246-E250 PolarHBondContact O-N 2.83Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 3.29Å; E250-I252 VanDerWaalsContact C-N 3.3Å; E250-I252 PolarHBondContact O-N 2.96Å; E250-F253 PolarHBondContact O-N 3.44Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.33Å; E250-R254 PolarHBondContact O-N 2.9Å; E250-R254 IonicContact OE2-CZ 2.72Å; E250-R254 IonicContact OE2-NH2 3.87Å; E250-R254 PolarHBondContact OE2-NH2 2.97Å; E250-R332 IonicContact OE1-CZ 2.84Å; E250-R332 IonicContact OE1-NH2 3.57Å; E250-R332 PolarHBondContact OE1-NH2 3.19Å
251R92.1Very high83.8Confident104 Ų10469.9 Ų69.939%0.39235%0.348SS..Hα-helixtrans-58.7-45.2176.1-171.6-168.6-49108.314.4111E247 S248 E353E247-R251 WeakPolarHBondContact O-CB 3.49Å; E247-R251 PolarHBondContact O-N 3.15Å; S248-R251 VanDerWaalsContact CA-NH1 3.35Å; S248-R251 VanDerWaalsContact CB-NH1 3.32Å; S248-R251 PolarHBondContact O-N 3.05Å; S248-R251 PolarHBondContact OG-NH1 3.01Å; S248-R251 PolarHBondContact OG-NH2 2.97Å; R251-E353 IonicContact NH1-OE2 3.32Å; R251-E353 PolarHBondContact NH1-OE2 3.41Å
252I90.2Very high83Confident7 Ų770.4 Ų70.44%0.03636%0.359CS..Hα-helixtrans-63.7-52.8174.4-68.6170.6000109.2S248 V249 E250 R254 S255 F256 F329 L346 Q349 V350S248-I252 WeakPolarHBondContact O-CB 3.45Å; S248-I252 VanDerWaalsContact O-CG1 3.3Å; S248-I252 WeakPolarHBondContact O-CG1 3.22Å; S248-I252 PolarHBondContact O-N 2.84Å; V249-I252 PolarHBondContact O-N 3.14Å; E250-I252 VanDerWaalsContact C-N 3.3Å; E250-I252 PolarHBondContact O-N 2.96Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.28Å; I252-S255 WeakPolarHBondContact O-CA 3.34Å; I252-S255 WeakPolarHBondContact O-CB 3.27Å; I252-S255 PolarHBondContact O-N 3.49Å; I252-S255 PolarHBondContact O-OG 3.12Å; I252-F256 HydrophobicContact CG2-CD2 4.03Å; I252-F256 HydrophobicContact CG2-CE2 3.6Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; I252-F329 HydrophobicContact CB-CE1 4.42Å; I252-F329 HydrophobicContact CB-CZ 4.3Å; I252-F329 HydrophobicContact CD1-CZ 4.25Å; I252-F329 HydrophobicContact CG2-CE1 4.05Å; I252-F329 HydrophobicContact CG2-CZ 4.02Å; I252-L346 HydrophobicContact CG2-CD2 4.21Å; I252-Q349 HydrophobicContact CD1-CG 3.98Å; I252-V350 HydrophobicContact CD1-CG2 3.54Å
253F85.8Confident82.3Confident39 Ų3972.3 Ų72.317%0.17137%0.366CS..Hα-helixtrans-61.8-32.6-174.6-156.1-91.4000113.8V249 E250 S255 F256 F329 R332 D333V249-F253 WeakPolarHBondContact O-CB 3.27Å; V249-F253 PolarHBondContact O-N 3.48Å; E250-F253 PolarHBondContact O-N 3.44Å; F253-S255 PolarHBondContact O-N 3.42Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.07Å; F253-F329 HydrophobicContact CD2-CD1 4.28Å; F253-R332 HydrophobicContact CD2-CB 4.16Å; F253-R332 HydrophobicContact CE1-CB 4.17Å; F253-R332 HydrophobicContact CE2-CB 3.79Å; F253-R332 HydrophobicContact CZ-CB 3.79Å; F253-D333 HydrophobicContact CE2-CB 3.75Å; F253-D333 HydrophobicContact CZ-CB 3.86Å
254R85.9Confident81.8Confident180 Ų18066.2 Ų66.268%0.67935%0.345SS*.THydrogen-bonded Turntrans-60.1-22.3170.7-73.7174.1-163.8104.26.2113.4E250 I252E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 VanDerWaalsContact O-CG 3.27Å; E250-R254 WeakPolarHBondContact O-CG 3.33Å; E250-R254 PolarHBondContact O-N 2.9Å; E250-R254 IonicContact OE2-CZ 2.72Å; E250-R254 IonicContact OE2-NH2 3.87Å; E250-R254 PolarHBondContact OE2-NH2 2.97Å; I252-R254 VanDerWaalsContact C-N 3.31Å; I252-R254 PolarHBondContact O-N 3.28Å
255S79.6Confident81.3Confident90 Ų9069.1 Ų69.163%0.62936%0.364SS*.THydrogen-bonded Turntrans-92.5-3.1176.473.80000114.3I252 F253I252-S255 WeakPolarHBondContact O-CA 3.34Å; I252-S255 WeakPolarHBondContact O-CB 3.27Å; I252-S255 PolarHBondContact O-N 3.49Å; I252-S255 PolarHBondContact O-OG 3.12Å; F253-S255 PolarHBondContact O-N 3.42Å
256F66.8Low80.8Confident82 Ų8272.1 Ų72.136%0.3639%0.385SS..SBendtrans-94.6135.5-179.8-85.9-107000112.4I252 F253 L346I252-F256 HydrophobicContact CG2-CD2 4.03Å; I252-F256 HydrophobicContact CG2-CE2 3.6Å; I252-F256 WeakPolarHBondContact O-CD2 3.49Å; F253-F256 PolarHBondContact O-N 3.16Å; F253-F256 VanDerWaalsContact O-N 3.07Å; F256-L346 HydrophobicContact CE1-CD2 4.19Å; F256-L346 HydrophobicContact CE2-CD2 4.02Å; F256-L346 HydrophobicContact CZ-CD2 3.5Å; F256-L346 VanDerWaalsContact CZ-CD2 3.5Å
257P65.1Low80.3Confident114 Ų11472 Ų7274%0.7438%0.383SS*.PPolyproline II helixtrans-64.8134.4161.429.5-32000108.8G259P257-G259 PolarHBondContact O-N 3.43Å
258R63.4Low80Confident215 Ų21568.8 Ų68.881%0.81137%0.369SS*.PPolyproline II helixtrans-62.9135.7174.1-71.1-179.7176.8-104.73109.5
259G62.7Low79.6Confident34 Ų3476.8 Ų76.835%0.35140%0.403SS..PPolyproline II helixtrans-61.5147.9174.300000111.8P257P257-G259 PolarHBondContact O-N 3.43Å
260D66.6Low79.2Confident110 Ų11083.4 Ų83.459%0.58844%0.438SS*.PPolyproline II helixtrans-75.6140178175.340.5000111.1G262 E263D260-G262 PolarHBondContact O-N 3.41Å; D260-G262 PolarHBondContact OD1-N 3.11Å; D260-G262 WeakPolarHBondContact OD2-CA 3.31Å; D260-G262 PolarHBondContact OD2-N 3.38Å; D260-E263 VanDerWaalsContact O-CB 3.3Å; D260-E263 WeakPolarHBondContact O-CB 3.46Å; D260-E263 PolarHBondContact O-N 2.79Å
261A65.4Low78.8Confident75 Ų7584 Ų8462%0.6244%0.443SS*.Hα-helixtrans-60.8-29.3177.400000112.1
262G71.8Confident78.7Confident36 Ų3686 Ų8637%0.37146%0.455SS..Hα-helixtrans-62.8-38.6173.300000113.3D260 V264 T265 S266D260-G262 PolarHBondContact O-N 3.41Å; D260-G262 PolarHBondContact OD1-N 3.11Å; D260-G262 WeakPolarHBondContact OD2-CA 3.31Å; D260-G262 PolarHBondContact OD2-N 3.38Å; G262-V264 VanDerWaalsContact C-N 3.34Å; G262-V264 PolarHBondContact O-N 3.18Å; G262-T265 PolarHBondContact O-N 3.34Å; G262-T265 PolarHBondContact O-OG1 3.07Å; G262-S266 PolarHBondContact O-N 3.4Å
263E80.8Confident78.6Confident74 Ų7494.8 Ų94.835%0.34649%0.493SS..Hα-helixtrans-59.8-43.3-178.4-168-176.9168.900111.4D260 T265 S266 L267D260-E263 VanDerWaalsContact O-CB 3.3Å; D260-E263 WeakPolarHBondContact O-CB 3.46Å; D260-E263 PolarHBondContact O-N 2.79Å; E263-T265 PolarHBondContact O-N 2.76Å; E263-S266 WeakPolarHBondContact O-CA 3.18Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 2.96Å; E263-S266 PolarHBondContact O-OG 2.89Å; E263-L267 HydrophobicContact CG-CD1 3.96Å; E263-L267 HydrophobicContact CG-CG 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.31Å
264V82.7Confident78.6Confident23 Ų2394.9 Ų94.914%0.13950%0.495CS..Hα-helixtrans-55.4-49.7-179.2-162.50000111.5G262 S266 L267 L268 F282 T335 L338G262-V264 VanDerWaalsContact C-N 3.34Å; G262-V264 PolarHBondContact O-N 3.18Å; V264-S266 PolarHBondContact O-N 3.27Å; V264-L267 PolarHBondContact O-N 2.9Å; V264-L268 HydrophobicContact CG1-CD1 4.15Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.1Å; V264-F282 HydrophobicContact CG1-CD1 3.61Å; V264-F282 HydrophobicContact CG1-CE1 3.49Å; V264-F282 VanDerWaalsContact CG1-CE1 3.49Å; V264-F282 HydrophobicContact CG1-CG 4.38Å; V264-F282 HydrophobicContact CG1-CZ 4.21Å; V264-T335 HydrophobicContact CB-CG2 4.25Å; V264-T335 HydrophobicContact CG1-CG2 4.08Å; V264-T335 HydrophobicContact CG2-CG2 3.36Å; V264-L338 HydrophobicContact CG1-CD1 4.33Å
265T82.4Confident78.7Confident71 Ų7187.6 Ų87.644%0.43647%0.473SS..Hα-helixtrans-65.5-31.4-179.676.80000111.6G262 E263 K269G262-T265 PolarHBondContact O-N 3.34Å; G262-T265 PolarHBondContact O-OG1 3.07Å; E263-T265 PolarHBondContact O-N 2.76Å; T265-K269 WeakPolarHBondContact O-CB 3.44Å; T265-K269 VanDerWaalsContact O-CD 3.29Å; T265-K269 WeakPolarHBondContact O-CD 3.42Å; T265-K269 WeakPolarHBondContact O-CG 3.03Å; T265-K269 PolarHBondContact O-N 3.38Å; T265-K269 VanDerWaalsContact O-N 3.13Å
266S85.5Confident79.2Confident63 Ų6392.9 Ų92.944%0.44148%0.479SS..Hα-helixtrans-71.6-43.1176.382.90000112.1G262 E263 V264 K269 L270G262-S266 PolarHBondContact O-N 3.4Å; E263-S266 WeakPolarHBondContact O-CA 3.18Å; E263-S266 WeakPolarHBondContact O-CB 3.41Å; E263-S266 PolarHBondContact O-N 2.96Å; E263-S266 PolarHBondContact O-OG 2.89Å; V264-S266 PolarHBondContact O-N 3.27Å; S266-K269 PolarHBondContact O-N 2.75Å; S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.19Å
267L84.3Confident80.3Confident33 Ų3390.8 Ų90.817%0.17348%0.475CS..Hα-helixtrans-64.9-41.3178.7-73171.7000111.6E263 V264 L270 N271 L338 R339E263-L267 HydrophobicContact CG-CD1 3.96Å; E263-L267 HydrophobicContact CG-CG 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.46Å; E263-L267 PolarHBondContact O-N 3.31Å; V264-L267 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 2.93Å; L267-N271 WeakPolarHBondContact O-CB 3.36Å; L267-N271 PolarHBondContact O-N 3.13Å; L267-L338 HydrophobicContact CB-CB 4.35Å; L267-L338 HydrophobicContact CB-CD1 3.68Å; L267-L338 HydrophobicContact CD1-CB 4.26Å; L267-L338 HydrophobicContact CD1-CD1 4.29Å; L267-R339 HydrophobicContact CD1-CG 4.11Å
268L86.5Confident81.6Confident34 Ų3485.5 Ų85.518%0.17844%0.44CS..Hα-helixtrans-64.9-42.8174.6-69.7170.5000112V264 L270 N271 A275 F282 L338V264-L268 HydrophobicContact CG1-CD1 4.15Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.1Å; L268-L270 PolarHBondContact O-N 3.38Å; L268-N271 CarbonylContact O-C 3.51Å; L268-N271 PolarHBondContact O-N 3.07Å; L268-A275 HydrophobicContact CB-CB 4.04Å; L268-A275 HydrophobicContact CD2-CB 3.7Å; L268-A275 HydrophobicContact CG-CB 4.49Å; L268-A275 WeakPolarHBondContact O-CB 3.47Å; L268-F282 HydrophobicContact CD1-CD2 4.26Å; L268-F282 HydrophobicContact CD1-CG 4.46Å; L268-F282 HydrophobicContact CD2-CD2 4.34Å; L268-F282 HydrophobicContact CD2-CE2 4.2Å; L268-L338 HydrophobicContact CD2-CD1 3.88Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CD2-CG 4.5Å; L268-L338 HydrophobicContact CG-CD1 3.85Å
269K86.1Confident82.9Confident167 Ų16775.8 Ų75.873%0.72641%0.407SS*.Hα-helixtrans-62.2-41.4175.3-76.6165.2-172.8164.20112.1T265 S266T265-K269 WeakPolarHBondContact O-CB 3.44Å; T265-K269 VanDerWaalsContact O-CD 3.29Å; T265-K269 WeakPolarHBondContact O-CD 3.42Å; T265-K269 WeakPolarHBondContact O-CG 3.03Å; T265-K269 PolarHBondContact O-N 3.38Å; T265-K269 VanDerWaalsContact O-N 3.13Å; S266-K269 PolarHBondContact O-N 2.75Å
270L86.5Confident84.3Confident140 Ų14077.4 Ų77.473%0.73341%0.405SS*.Hα-helixtrans-69.7-43.6178.8-174.463.8000111.9S266 L267 L268 K272S266-L270 WeakPolarHBondContact O-CB 3.38Å; S266-L270 PolarHBondContact O-N 3.19Å; L267-L270 PolarHBondContact O-N 2.93Å; L268-L270 PolarHBondContact O-N 3.38Å; L270-K272 PolarHBondContact O-N 2.9Å
271N85.4Confident85.5Confident73 Ų7372.2 Ų72.239%0.3938%0.377SS..  trans-102.363.2-176.2-73.8-79.4000112.6L267 L268 K273 L274 A275L267-N271 WeakPolarHBondContact O-CB 3.36Å; L267-N271 PolarHBondContact O-N 3.13Å; L268-N271 CarbonylContact O-C 3.51Å; L268-N271 PolarHBondContact O-N 3.07Å; N271-K273 PolarHBondContact O-N 3.29Å; N271-L274 HydrophobicContact CB-CB 3.94Å; N271-L274 WeakPolarHBondContact O-CA 3.49Å; N271-L274 PolarHBondContact O-N 2.9Å; N271-A275 PolarHBondContact O-N 3.12Å
272K88.6Confident86.7Confident147 Ų14771 Ų7164%0.63936%0.359SS*.Hα-helixtrans-53.3-27.1-177.2-167166.8-174.1167.80115.2L270 R276L270-K272 PolarHBondContact O-N 2.9Å; K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.47Å
273K89.1Confident87.4Confident191 Ų19177.5 Ų77.583%0.8338%0.379SS*.Hα-helixtrans-70.7-43.8171.9-179.9176.9176.9-179.70112.2N271 R276N271-K273 PolarHBondContact O-N 3.29Å; K273-R276 PolarHBondContact O-N 2.95Å
274L85.8Confident87.8Confident41 Ų4176.1 Ų76.122%0.21537%0.373CS..Hα-helixtrans-74-39.4-178.8-167.857.7000110.8N271 R276 S277 V278 L338N271-L274 HydrophobicContact CB-CB 3.94Å; N271-L274 WeakPolarHBondContact O-CA 3.49Å; N271-L274 PolarHBondContact O-N 2.9Å; L274-R276 PolarHBondContact O-N 3.35Å; L274-S277 WeakPolarHBondContact CA-OG 3.06Å; L274-S277 PolarHBondContact O-N 3.33Å; L274-S277 PolarHBondContact O-OG 3.46Å; L274-V278 HydrophobicContact CD1-CG2 4.2Å; L274-V278 HydrophobicContact CG-CG2 4.03Å; L274-V278 WeakPolarHBondContact O-CG2 3.47Å; L274-V278 PolarHBondContact O-N 3.38Å; L274-L338 HydrophobicContact CD2-CB 4.42Å; L274-L338 HydrophobicContact CD2-CD2 3.76Å; L274-L338 HydrophobicContact CG-CD2 3.85Å
275A87.9Confident88.1Confident26 Ų2681.1 Ų81.122%0.21540%0.399CS..Hα-helixtrans-57.9-32.4172.200000112.9L268 N271 S277 G279L268-A275 HydrophobicContact CB-CB 4.04Å; L268-A275 HydrophobicContact CD2-CB 3.7Å; L268-A275 HydrophobicContact CG-CB 4.49Å; L268-A275 WeakPolarHBondContact O-CB 3.47Å; N271-A275 PolarHBondContact O-N 3.12Å; A275-S277 VanDerWaalsContact C-N 3.33Å; A275-G279 WeakPolarHBondContact O-CA 3.36Å; A275-G279 PolarHBondContact O-N 3.08Å
276R90.1Very high88.1Confident202 Ų20284 Ų8476%0.76241%0.412SS*.Hα-helixtrans-72.7-20.6172.7-77.4176.6174.9-160.6-3.6114.6K272 K273 L274K272-R276 WeakPolarHBondContact O-CG 3.31Å; K272-R276 PolarHBondContact O-N 3.47Å; K273-R276 PolarHBondContact O-N 2.95Å; L274-R276 PolarHBondContact O-N 3.35Å
277S89.2Confident88Confident38 Ų3888.8 Ų88.827%0.26643%0.433SS..Hα-helixtrans-101.9-25.9-178.555.30000114.2L274 A275 H280 Y298L274-S277 WeakPolarHBondContact CA-OG 3.06Å; L274-S277 PolarHBondContact O-N 3.33Å; L274-S277 PolarHBondContact O-OG 3.46Å; A275-S277 VanDerWaalsContact C-N 3.33Å; S277-H280 PolarHBondContact O-CE1 3.31Å; S277-H280 VanDerWaalsContact O-CE1 3.31Å; S277-Y298 WeakPolarHBondContact O-CE1 3.43Å; S277-Y298 WeakPolarHBondContact O-CE2 3.36Å; S277-Y298 PolarHBondContact O-OH 3.39Å; S277-Y298 VanDerWaalsContact O-OH 3.12Å
278V92.2Very high88.3Confident3 Ų390.3 Ų90.32%0.01844%0.441CS..Hα-helixtrans-128.73.4-179.6-600000113.5L274 H280 I281 F282 Y298 L338L274-V278 HydrophobicContact CD1-CG2 4.2Å; L274-V278 HydrophobicContact CG-CG2 4.03Å; L274-V278 WeakPolarHBondContact O-CG2 3.47Å; L274-V278 PolarHBondContact O-N 3.38Å; V278-H280 PolarHBondContact O-N 2.84Å; V278-I281 HydrophobicContact CB-CD1 3.92Å; V278-I281 HydrophobicContact CG1-CD1 4.08Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 2.88Å; V278-F282 HydrophobicContact CG2-CE2 4.2Å; V278-F282 VanDerWaalsContact O-CD2 3.24Å; V278-F282 WeakPolarHBondContact O-CD2 3.16Å; V278-F282 WeakPolarHBondContact O-CE2 3.4Å; V278-Y298 HydrophobicContact CG1-CD1 3.76Å; V278-Y298 HydrophobicContact CG1-CD2 3.87Å; V278-Y298 HydrophobicContact CG1-CE1 4.3Å; V278-Y298 HydrophobicContact CG1-CE2 4.37Å; V278-Y298 HydrophobicContact CG1-CG 3.53Å; V278-L338 HydrophobicContact CG2-CD2 3.68Å
279G90.7Very high88.5Confident11 Ų1192.6 Ų92.611%0.11346%0.46CS..THydrogen-bonded Turntrans-63.3-41.3-176.100000113.4A275 I281 F282A275-G279 WeakPolarHBondContact O-CA 3.36Å; A275-G279 PolarHBondContact O-N 3.08Å; G279-I281 PolarHBondContact O-N 3.46Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å
280H92.2Very high88.7Confident68 Ų6889.4 Ų89.432%0.31545%0.447SS..G310 helixtrans-58.5-31.8178.161.6-70.4000112.7S277 V278 F282 E283 M284 E294S277-H280 PolarHBondContact O-CE1 3.31Å; S277-H280 VanDerWaalsContact O-CE1 3.31Å; V278-H280 PolarHBondContact O-N 2.84Å; H280-F282 PolarHBondContact O-N 3.24Å; H280-E283 WeakPolarHBondContact O-CA 3.48Å; H280-E283 WeakPolarHBondContact O-CB 3.33Å; H280-E283 PolarHBondContact O-N 3.38Å; H280-M284 WeakPolarHBondContact O-CG 3.41Å; H280-M284 PolarHBondContact O-N 2.89Å; H280-E294 IonicContact CD2-OE2 2.96Å; H280-E294 IonicContact CE1-OE2 3.19Å; H280-E294 PolarHBondContact CE1-OE2 3.15Å; H280-E294 IonicContact NE2-OE2 2.67Å; H280-E294 PolarHBondContact NE2-OE2 2.94Å
281I92.4Very high89Confident0 Ų083.3 Ų83.30%042%0.415CS..G310 helixtrans-61.5-30.4177.5-51.5177.3000111.4V278 G279 E283 K291 E294 I295 Y298 L337V278-I281 HydrophobicContact CB-CD1 3.92Å; V278-I281 HydrophobicContact CG1-CD1 4.08Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 2.88Å; G279-I281 PolarHBondContact O-N 3.46Å; I281-E283 VanDerWaalsContact C-N 3.31Å; I281-K291 HydrophobicContact CG2-CG 4.05Å; I281-K291 WeakPolarHBondContact O-CE 3.32Å; I281-K291 PolarHBondContact O-NZ 3.29Å; I281-E294 HydrophobicContact CD1-CB 3.95Å; I281-E294 HydrophobicContact CG1-CB 4.03Å; I281-I295 HydrophobicContact CG2-CD1 4.16Å; I281-I295 HydrophobicContact CG2-CG1 3.59Å; I281-Y298 HydrophobicContact CD1-CD2 3.54Å; I281-Y298 HydrophobicContact CD1-CE2 4.04Å; I281-Y298 HydrophobicContact CD1-CG 4.44Å; I281-L337 HydrophobicContact CD1-CD1 4Å; I281-L337 HydrophobicContact CG2-CD1 4.36Å
282F89.6Confident89.3Confident51 Ų5183.6 Ų83.622%0.22441%0.414CS..G310 helixtrans-80.2-13.3175.4-62.8-89.1000113.2V264 L268 V278 G279 H280 N334 T335 L338V264-F282 HydrophobicContact CG1-CD1 3.61Å; V264-F282 HydrophobicContact CG1-CE1 3.49Å; V264-F282 VanDerWaalsContact CG1-CE1 3.49Å; V264-F282 HydrophobicContact CG1-CG 4.38Å; V264-F282 HydrophobicContact CG1-CZ 4.21Å; L268-F282 HydrophobicContact CD1-CD2 4.26Å; L268-F282 HydrophobicContact CD1-CG 4.46Å; L268-F282 HydrophobicContact CD2-CD2 4.34Å; L268-F282 HydrophobicContact CD2-CE2 4.2Å; V278-F282 HydrophobicContact CG2-CE2 4.2Å; V278-F282 VanDerWaalsContact O-CD2 3.24Å; V278-F282 WeakPolarHBondContact O-CD2 3.16Å; V278-F282 WeakPolarHBondContact O-CE2 3.4Å; G279-F282 WeakPolarHBondContact O-CB 3.48Å; G279-F282 PolarHBondContact O-N 2.83Å; H280-F282 PolarHBondContact O-N 3.24Å; F282-N334 HydrophobicContact CD1-CB 3.96Å; F282-N334 HydrophobicContact CE1-CB 3.53Å; F282-N334 HydrophobicContact CZ-CB 4.14Å; F282-N334 VanDerWaalsContact CZ-O 3.24Å; F282-N334 WeakPolarHBondContact CZ-O 3.46Å; F282-T335 HydrophobicContact CE1-CG2 4.32Å; F282-L338 HydrophobicContact CE2-CD1 4.3Å; F282-L338 HydrophobicContact CE2-CD2 4.28Å; F282-L338 HydrophobicContact CE2-CG 4.31Å; F282-L338 HydrophobicContact CZ-CD1 3.9Å; F282-L338 HydrophobicContact CZ-CD2 4.42Å; F282-L338 HydrophobicContact CZ-CG 3.97Å
283E87.4Confident89.5Confident172 Ų17281.7 Ų81.780%0.80441%0.407SS*.THydrogen-bonded Turntrans-97.5-19.4178.3-62.3174.3177.800112.1H280 I281H280-E283 WeakPolarHBondContact O-CA 3.48Å; H280-E283 WeakPolarHBondContact O-CB 3.33Å; H280-E283 PolarHBondContact O-N 3.38Å; I281-E283 VanDerWaalsContact C-N 3.31Å
284M89.3Confident89.8Confident45 Ų4574.4 Ų74.422%0.22238%0.376CS..SBendtrans-75.2149.9175.9-67.3168.980.900112.7H280 D288 Q290 K291H280-M284 WeakPolarHBondContact O-CG 3.41Å; H280-M284 PolarHBondContact O-N 2.89Å; M284-D288 WeakPolarHBondContact CE-OD2 3.22Å; M284-Q290 HydrophobicContact CE-CB 3.62Å; M284-K291 HydrophobicContact CB-CB 4.13Å; M284-K291 HydrophobicContact CB-CD 3.98Å; M284-K291 HydrophobicContact CB-CG 4.1Å; M284-K291 HydrophobicContact CE-CB 4.03Å; M284-K291 PolarHBondContact O-NZ 2.68Å; M284-K291 HydrophobicContact SD-CB 4.42Å
285D88.6Confident90.2Very high128 Ų12872.7 Ų72.768%0.68437%0.367SS*.  trans-65.4142.8176.9-75.9-65.7000113.3N287 D288 K291D285-N287 PolarHBondContact O-N 3.2Å; D285-N287 VanDerWaalsContact O-N 3.14Å; D285-D288 PolarHBondContact O-N 3.02Å; D285-K291 WeakPolarHBondContact O-CD 3.26Å
286D83.1Confident90.5Very high131 Ų13176.1 Ų76.170%0.70138%0.375SS*.THydrogen-bonded Turntrans-65.6-14.6-179.1-70.9-33.8000114.5K291D286-K291 IonicContact OD1-NZ 3.48Å; D286-K291 PolarHBondContact OD1-NZ 2.76Å
287N83.9Confident90.5Very high164 Ų16470.8 Ų70.888%0.87736%0.357SS*.THydrogen-bonded Turntrans-100.63178-63.8-55.3000113.7D285D285-N287 PolarHBondContact O-N 3.2Å; D285-N287 VanDerWaalsContact O-N 3.14Å
288D89.7Confident90.7Very high65 Ų6571.5 Ų71.535%0.34835%0.354SS..  trans-82.8122.1-179.2-176.10.2000111.5M284 D285 Q290 K291 E292M284-D288 WeakPolarHBondContact CE-OD2 3.22Å; D285-D288 PolarHBondContact O-N 3.02Å; D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.24Å; D288-Q290 PolarHBondContact OD1-N 2.65Å; D288-K291 HydrophobicContact CB-CB 4.24Å; D288-K291 VanDerWaalsContact O-CB 3.24Å; D288-K291 WeakPolarHBondContact O-CB 3.49Å; D288-K291 PolarHBondContact O-N 3.28Å; D288-E292 PolarHBondContact O-N 2.77Å
289S90.4Very high90.9Very high82 Ų8271.5 Ų71.557%0.57335%0.354SS*.Hα-helixtrans-56.7-32.3174.1-53.70000112.8K291 E292 E293S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.46Å; S289-E292 PolarHBondContact O-N 2.96Å; S289-E293 PolarHBondContact O-N 2.84Å; S289-E293 VanDerWaalsContact O-N 3.09Å
290Q91.3Very high91Very high100 Ų10073.4 Ų73.447%0.46736%0.361SS..Hα-helixtrans-66.2-29.5176.1-65-66.6-82.500112.2M284 D288 E293 E294M284-Q290 HydrophobicContact CE-CB 3.62Å; D288-Q290 PolarHBondContact O-N 2.9Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.24Å; D288-Q290 PolarHBondContact OD1-N 2.65Å; Q290-E293 PolarHBondContact NE2-OE1 3.39Å; Q290-E293 PolarHBondContact NE2-OE2 2.8Å; Q290-E293 PolarHBondContact O-N 2.96Å; Q290-E294 PolarHBondContact O-N 3.46Å
291K92.9Very high91Very high11 Ų1171.8 Ų71.85%0.04836%0.355CS..Hα-helixtrans-67.4-43.1174.5-172.4178.4-179.7161.50110.6I281 M284 D285 D286 D288 S289 E294 I295I281-K291 HydrophobicContact CG2-CG 4.05Å; I281-K291 WeakPolarHBondContact O-CE 3.32Å; I281-K291 PolarHBondContact O-NZ 3.29Å; M284-K291 HydrophobicContact CB-CB 4.13Å; M284-K291 HydrophobicContact CB-CD 3.98Å; M284-K291 HydrophobicContact CB-CG 4.1Å; M284-K291 HydrophobicContact CE-CB 4.03Å; M284-K291 PolarHBondContact O-NZ 2.68Å; M284-K291 HydrophobicContact SD-CB 4.42Å; D285-K291 WeakPolarHBondContact O-CD 3.26Å; D286-K291 IonicContact OD1-NZ 3.48Å; D286-K291 PolarHBondContact OD1-NZ 2.76Å; D288-K291 HydrophobicContact CB-CB 4.24Å; D288-K291 VanDerWaalsContact O-CB 3.24Å; D288-K291 WeakPolarHBondContact O-CB 3.49Å; D288-K291 PolarHBondContact O-N 3.28Å; S289-K291 VanDerWaalsContact C-N 3.26Å; S289-K291 PolarHBondContact O-N 3.46Å; K291-E294 PolarHBondContact O-N 2.93Å; K291-I295 HydrophobicContact CG-CD1 3.91Å; K291-I295 WeakPolarHBondContact O-CB 3.42Å; K291-I295 WeakPolarHBondContact O-CD1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.47Å; K291-I295 PolarHBondContact O-N 2.79Å
292E92Very high91Very high79 Ų7974.6 Ų74.637%0.36937%0.366SS..Hα-helixtrans-60.7-44.3174.5179.9173.6164.700111.7D288 S289 I295 R296 M331D288-E292 PolarHBondContact O-N 2.77Å; S289-E292 PolarHBondContact O-N 2.96Å; E292-I295 PolarHBondContact O-N 3.23Å; E292-R296 HydrophobicContact CG-CG 4.34Å; E292-R296 WeakPolarHBondContact O-CB 3.08Å; E292-R296 WeakPolarHBondContact O-CG 3.24Å; E292-R296 PolarHBondContact O-N 3.3Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 2.62Å; E292-R296 PolarHBondContact OE1-NE 3.32Å; E292-R296 IonicContact OE1-NH2 3.84Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å; E292-M331 HydrophobicContact CG-SD 3.62Å
293E92.6Very high90.7Very high108 Ų10874.5 Ų74.551%0.50538%0.38SS..Hα-helixtrans-60.5-46.3178-73.1173.5-159.700112.3S289 Q290 R296 K297S289-E293 PolarHBondContact O-N 2.84Å; S289-E293 VanDerWaalsContact O-N 3.09Å; Q290-E293 PolarHBondContact NE2-OE1 3.39Å; Q290-E293 PolarHBondContact NE2-OE2 2.8Å; Q290-E293 PolarHBondContact O-N 2.96Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-K297 VanDerWaalsContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 2.78Å
294E94Very high90.3Very high37 Ų3768.2 Ų68.217%0.17335%0.348CS..Hα-helixtrans-66.1-40.2175.9-72-74.7100.500111.6H280 I281 Q290 K291 R296 K297 Y298H280-E294 IonicContact CD2-OE2 2.96Å; H280-E294 IonicContact CE1-OE2 3.19Å; H280-E294 PolarHBondContact CE1-OE2 3.15Å; H280-E294 IonicContact NE2-OE2 2.67Å; H280-E294 PolarHBondContact NE2-OE2 2.94Å; I281-E294 HydrophobicContact CD1-CB 3.95Å; I281-E294 HydrophobicContact CG1-CB 4.03Å; Q290-E294 PolarHBondContact O-N 3.46Å; K291-E294 PolarHBondContact O-N 2.93Å; E294-R296 PolarHBondContact O-N 3.11Å; E294-K297 WeakPolarHBondContact O-CB 3.43Å; E294-K297 PolarHBondContact O-N 3.1Å; E294-K297 WeakPolarHBondContact OE1-CD 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.3Å; E294-K297 IonicContact OE1-NZ 2.82Å; E294-K297 PolarHBondContact OE1-NZ 3.4Å; E294-K297 IonicContact OE2-NZ 3.75Å; E294-Y298 WeakPolarHBondContact O-CD2 3.4Å; E294-Y298 PolarHBondContact O-N 3.37Å; E294-Y298 WeakPolarHBondContact OE2-CE2 3.22Å
295I94.1Very high89Confident6 Ų673.2 Ų73.23%0.03137%0.369CS..Hα-helixtrans-58.5-49.4173.3-71.9164.7000110.8I281 K291 E292 K297 Y298 S299 C330 M331 N334 L337I281-I295 HydrophobicContact CG2-CD1 4.16Å; I281-I295 HydrophobicContact CG2-CG1 3.59Å; K291-I295 HydrophobicContact CG-CD1 3.91Å; K291-I295 WeakPolarHBondContact O-CB 3.42Å; K291-I295 WeakPolarHBondContact O-CD1 3.32Å; K291-I295 WeakPolarHBondContact O-CG1 3.47Å; K291-I295 PolarHBondContact O-N 2.79Å; E292-I295 PolarHBondContact O-N 3.23Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.41Å; I295-Y298 PolarHBondContact O-N 2.83Å; I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.01Å; I295-S299 PolarHBondContact O-OG 3.07Å; I295-C330 HydrophobicContact CG2-CB 3.47Å; I295-C330 VanDerWaalsContact CG2-CB 3.47Å; I295-M331 HydrophobicContact CG2-CG 3.88Å; I295-N334 WeakPolarHBondContact CD1-OD1 3.24Å; I295-L337 HydrophobicContact CG1-CD1 4.45Å
296R94Very high87.7Confident98 Ų9871.5 Ų71.537%0.3736%0.36SS..Hα-helixtrans-57-44.7176.9-76.2176.4178.5-89.4-0.1110.9E292 E293 E294 S299 I300 E324 A327E292-R296 HydrophobicContact CG-CG 4.34Å; E292-R296 WeakPolarHBondContact O-CB 3.08Å; E292-R296 WeakPolarHBondContact O-CG 3.24Å; E292-R296 PolarHBondContact O-N 3.3Å; E292-R296 IonicContact OE1-CZ 3.73Å; E292-R296 IonicContact OE1-NE 2.62Å; E292-R296 PolarHBondContact OE1-NE 3.32Å; E292-R296 IonicContact OE1-NH2 3.84Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å; E293-R296 PolarHBondContact O-N 2.74Å; E294-R296 PolarHBondContact O-N 3.11Å; R296-S299 PolarHBondContact O-OG 3.07Å; R296-S299 VanDerWaalsContact O-OG 3.12Å; R296-I300 WeakPolarHBondContact O-CG1 3.46Å; R296-E324 IonicContact NH1-OE2 2.69Å; R296-A327 HydrophobicContact CG-CB 4.16Å
297K92.1Very high86.6Confident89 Ų8967.7 Ų67.739%0.38734%0.343SS..Hα-helixtrans-63.6-42.3179.3176.7-173.2179.5179.80113.9E293 E294 I295 F305E293-K297 VanDerWaalsContact O-CB 3.32Å; E293-K297 WeakPolarHBondContact O-CB 3.48Å; E293-K297 PolarHBondContact O-N 2.78Å; E294-K297 WeakPolarHBondContact O-CB 3.43Å; E294-K297 PolarHBondContact O-N 3.1Å; E294-K297 WeakPolarHBondContact OE1-CD 3.42Å; E294-K297 WeakPolarHBondContact OE1-CE 3.3Å; E294-K297 IonicContact OE1-NZ 2.82Å; E294-K297 PolarHBondContact OE1-NZ 3.4Å; E294-K297 IonicContact OE2-NZ 3.75Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 3.41Å; K297-F305 HydrophobicContact CG-CE1 4.46Å
298Y93.1Very high85.3Confident53 Ų5368.7 Ų68.721%0.20834%0.34CS..Hα-helixtrans-85.9-27-178.9-71.1-72.9000114.5S277 V278 I281 E294 I295 I300 R304S277-Y298 WeakPolarHBondContact O-CE1 3.43Å; S277-Y298 WeakPolarHBondContact O-CE2 3.36Å; S277-Y298 PolarHBondContact O-OH 3.39Å; S277-Y298 VanDerWaalsContact O-OH 3.12Å; V278-Y298 HydrophobicContact CG1-CD1 3.76Å; V278-Y298 HydrophobicContact CG1-CD2 3.87Å; V278-Y298 HydrophobicContact CG1-CE1 4.3Å; V278-Y298 HydrophobicContact CG1-CE2 4.37Å; V278-Y298 HydrophobicContact CG1-CG 3.53Å; I281-Y298 HydrophobicContact CD1-CD2 3.54Å; I281-Y298 HydrophobicContact CD1-CE2 4.04Å; I281-Y298 HydrophobicContact CD1-CG 4.44Å; E294-Y298 WeakPolarHBondContact O-CD2 3.4Å; E294-Y298 PolarHBondContact O-N 3.37Å; E294-Y298 WeakPolarHBondContact OE2-CE2 3.22Å; I295-Y298 PolarHBondContact O-N 2.83Å; Y298-I300 VanDerWaalsContact C-N 3.3Å; Y298-I300 PolarHBondContact O-N 3.39Å; Y298-R304 PolarHBondContact O-NH2 3.29Å
299S95Very high84.1Confident3 Ų376.8 Ų76.82%0.02137%0.366CS..Hα-helixtrans-71.9-17.5178.760.50000114.5I295 R296 I301 A326 A327I295-S299 WeakPolarHBondContact O-CB 3.39Å; I295-S299 PolarHBondContact O-N 3.01Å; I295-S299 PolarHBondContact O-OG 3.07Å; R296-S299 PolarHBondContact O-OG 3.07Å; R296-S299 VanDerWaalsContact O-OG 3.12Å; S299-I301 WeakPolarHBondContact O-CG1 3.44Å; S299-I301 PolarHBondContact O-N 2.93Å; S299-A326 WeakPolarHBondContact O-CB 3.26Å; S299-A327 WeakPolarHBondContact OG-CA 3.25Å
300I93Very high82.6Confident51 Ų5179.9 Ų79.926%0.26237%0.365SS..  trans-47.2129.2176.2-55.3-176.4000111R296 Y298 Y302 R304R296-I300 WeakPolarHBondContact O-CG1 3.46Å; Y298-I300 VanDerWaalsContact C-N 3.3Å; Y298-I300 PolarHBondContact O-N 3.39Å; I300-Y302 WeakPolarHBondContact CG2-O 3.44Å; I300-R304 HydrophobicContact CB-CG 4.35Å; I300-R304 HydrophobicContact CG2-CG 3.91Å; I300-R304 WeakPolarHBondContact O-CG 3.36Å; I300-R304 PolarHBondContact O-NE 2.96Å
301I92.9Very high81.1Confident35 Ų3582.6 Ų82.618%0.17938%0.377CS..  trans-105.2-48.6179.3-59.2-165.6000110.4S299 I322 N323 A326 L343 F344S299-I301 WeakPolarHBondContact O-CG1 3.44Å; S299-I301 PolarHBondContact O-N 2.93Å; I301-I322 HydrophobicContact CB-CG2 4.12Å; I301-I322 HydrophobicContact CD1-CG2 3.84Å; I301-I322 HydrophobicContact CG1-CG2 4.37Å; I301-I322 HydrophobicContact CG2-CG2 4.19Å; I301-N323 PolarHBondContact N-OD1 2.85Å; I301-A326 HydrophobicContact CD1-CB 3.8Å; I301-A326 HydrophobicContact CG1-CB 3.96Å; I301-L343 HydrophobicContact CD1-CG 4.49Å; I301-F344 HydrophobicContact CD1-CB 4.32Å; I301-F344 HydrophobicContact CD1-CD2 4.05Å; I301-F344 HydrophobicContact CG2-CD2 3.64Å; I301-F344 HydrophobicContact CG2-CE2 3.95Å
302Y91.3Very high79.8Confident58 Ų5886.2 Ų86.223%0.22742%0.418CS..SBendtrans-107.8145.1178.9-67.6-81.6000111I300 R304 E319 I322 N323 F344I300-Y302 WeakPolarHBondContact CG2-O 3.44Å; Y302-R304 VanDerWaalsContact C-N 3.33Å; Y302-E319 HydrophobicContact CD1-CG 3.79Å; Y302-E319 HydrophobicContact CD2-CB 4.1Å; Y302-E319 HydrophobicContact CD2-CG 3.97Å; Y302-E319 HydrophobicContact CE1-CG 4.25Å; Y302-E319 HydrophobicContact CE2-CG 4.4Å; Y302-E319 HydrophobicContact CG-CB 3.93Å; Y302-E319 HydrophobicContact CG-CG 3.64Å; Y302-I322 HydrophobicContact CD2-CB 4.25Å; Y302-I322 HydrophobicContact CD2-CG2 3.95Å; Y302-I322 HydrophobicContact CE2-CB 4.17Å; Y302-I322 HydrophobicContact CE2-CD1 3.79Å; Y302-I322 HydrophobicContact CE2-CG2 3.81Å; Y302-N323 PolarHBondContact N-OD1 3.32Å; Y302-N323 PolarHBondContact O-ND2 2.96Å; Y302-F344 HydrophobicContact CE2-CE2 4.18Å
303G84.4Confident79.2Confident50 Ų5089.4 Ų89.452%0.51543%0.431SS..SBendtrans74.518.1-178.400000114.9F305G303-F305 PolarHBondContact O-N 2.97Å
304R77.8Confident78.7Confident39 Ų3989.5 Ų89.515%0.14743%0.431CS..  trans-57131.6-179.9-59.5-175.3119.9-108.2-17.9112Y298 I300 Y302 D306 S307 R340Y298-R304 PolarHBondContact O-NH2 3.29Å; I300-R304 HydrophobicContact CB-CG 4.35Å; I300-R304 HydrophobicContact CG2-CG 3.91Å; I300-R304 WeakPolarHBondContact O-CG 3.36Å; I300-R304 PolarHBondContact O-NE 2.96Å; Y302-R304 VanDerWaalsContact C-N 3.33Å; R304-D306 WeakPolarHBondContact CB-OD1 3.44Å; R304-D306 IonicContact CZ-OD2 3.43Å; R304-D306 IonicContact NH1-OD2 2.72Å; R304-D306 PolarHBondContact NH1-OD2 2.85Å; R304-D306 PolarHBondContact O-N 3.35Å; R304-D306 VanDerWaalsContact O-N 3.11Å; R304-S307 PolarHBondContact O-N 3.21Å; R304-S307 VanDerWaalsContact O-N 3.16Å; R304-R340 VanDerWaalsContact NH2-NH2 3.14Å
305F63.6Low78.4Confident150 Ų15089.7 Ų89.766%0.65843%0.433SS*.THydrogen-bonded Turntrans-63.3-13.6178.971.7-92.3000114.5K297 G303 S307K297-F305 HydrophobicContact CG-CE1 4.46Å; G303-F305 PolarHBondContact O-N 2.97Å; F305-S307 PolarHBondContact O-N 3.13Å
306D60.6Low78.3Confident93 Ų9392 Ų9250%0.49745%0.45SS..THydrogen-bonded Turntrans-75.7-10.1176.160.44.3000113.3R304R304-D306 WeakPolarHBondContact CB-OD1 3.44Å; R304-D306 IonicContact CZ-OD2 3.43Å; R304-D306 IonicContact NH1-OD2 2.72Å; R304-D306 PolarHBondContact NH1-OD2 2.85Å; R304-D306 PolarHBondContact O-N 3.35Å; R304-D306 VanDerWaalsContact O-N 3.11Å
307S59.4Low78.2Confident50 Ų5092.5 Ų92.535%0.3546%0.459SS..  trans-101.491.2-177-172.80000112.6R304 F305 R309 R310R304-S307 PolarHBondContact O-N 3.21Å; R304-S307 VanDerWaalsContact O-N 3.16Å; F305-S307 PolarHBondContact O-N 3.13Å; S307-R309 PolarHBondContact O-N 3.26Å; S307-R310 PolarHBondContact O-N 3.41Å
308K58Low78.3Confident185 Ų18591.5 Ų91.580%0.80446%0.456SS*.THydrogen-bonded Turntrans-63.533.6175.4-57.7-165.9175.9-162.50116E311K308-E311 WeakPolarHBondContact CA-OE1 3.33Å
309R63.8Low78.3Confident235 Ų23590 Ų9089%0.88745%0.451SS*.THydrogen-bonded Turntrans-141.23.7-178-67.4-170.9179.4-127.91.8112.8S307S307-R309 PolarHBondContact O-N 3.26Å
310R59.6Low78.2Confident148 Ų14890.7 Ų90.756%0.55845%0.454SS*.  trans-1395.9-175.1-68.5-164.6178.3-133.20.3115S307 G312 K313S307-R310 PolarHBondContact O-N 3.41Å; R310-G312 PolarHBondContact O-N 3.01Å; R310-G312 VanDerWaalsContact O-N 3.14Å; R310-K313 PolarHBondContact O-N 3.05Å
311E58.7Low78.3Confident156 Ų15688.6 Ų88.673%0.72944%0.444SS*.THydrogen-bonded Turntrans-58.8115.116954.7-128.8117.700110.1K308K308-E311 WeakPolarHBondContact CA-OE1 3.33Å
312G66.8Low78.5Confident88 Ų8887 Ų8791%0.90744%0.435SS*.THydrogen-bonded Turntrans109.2-7.2179.800000117.1R310R310-G312 PolarHBondContact O-N 3.01Å; R310-G312 VanDerWaalsContact O-N 3.14Å
313K77.5Confident78.7Confident146 Ų14685.2 Ų85.264%0.63543%0.43SS*.  trans-89.7115.6171.3-163.4-167.5176.6-165.50110.9R310R310-K313 PolarHBondContact O-N 3.05Å
314Q82.9Confident79.2Confident109 Ų10984.2 Ų84.251%0.50941%0.412SS..PPolyproline II helixtrans-55.2138.2168.9-74.8174.70.600110.8
315L88.8Confident80.1Confident41 Ų4182.3 Ų82.322%0.21541%0.405CS..PPolyproline II helixtrans-74.1136.8177.3-65.5176.6000110.1E319 L320L315-E319 HydrophobicContact CB-CB 4.14Å; L315-E319 HydrophobicContact CD2-CB 4.1Å; L315-L320 HydrophobicContact CB-CD2 3.82Å; L315-L320 HydrophobicContact CB-CG 3.81Å; L315-L320 HydrophobicContact CD1-CD2 3.84Å; L315-L320 HydrophobicContact CG-CD2 4.46Å
316S91.4Very high81.7Confident54 Ų5475.2 Ų75.238%0.37837%0.373SS..PPolyproline II helixtrans-66.7157.1169.861.30000111H318 E319 L320S316-H318 PolarHBondContact O-N 3.48Å; S316-H318 VanDerWaalsContact O-N 3.12Å; S316-E319 WeakPolarHBondContact CB-OE2 3.45Å; S316-E319 PolarHBondContact N-OE2 3Å; S316-E319 WeakPolarHBondContact O-CB 3.43Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 VanDerWaalsContact OG-CG 3.29Å; S316-E319 WeakPolarHBondContact OG-CG 3.23Å; S316-E319 PolarHBondContact OG-N 3.05Å; S316-E319 PolarHBondContact OG-OE2 3.38Å; S316-L320 PolarHBondContact O-N 3.44Å
317L91.3Very high83.4Confident109 Ų10971 Ų7157%0.57135%0.351SS*.Hα-helixtrans-48.1-42.5174.6178.461.5000112.1L237 L320 T321L237-L317 HydrophobicContact CD2-CD1 3.66Å; L317-L320 PolarHBondContact O-N 3.01Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 2.96Å
318H93.5Very high85.2Confident68 Ų6869.5 Ų69.532%0.31534%0.339SS..Hα-helixtrans-65.4-40.1178-175.268.7000113.5S316 T321 I322S316-H318 PolarHBondContact O-N 3.48Å; S316-H318 VanDerWaalsContact O-N 3.12Å; H318-T321 PolarHBondContact O-N 3.46Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.46Å; H318-I322 WeakPolarHBondContact O-CG1 3.4Å; H318-I322 PolarHBondContact O-N 2.88Å
319E93.8Very high86.9Confident23 Ų2360.8 Ų60.811%0.10730%0.301CS..Hα-helixtrans-66.9-39.8175.9-71166.5123.800111Y302 L315 S316 I322 N323Y302-E319 HydrophobicContact CD1-CG 3.79Å; Y302-E319 HydrophobicContact CD2-CB 4.1Å; Y302-E319 HydrophobicContact CD2-CG 3.97Å; Y302-E319 HydrophobicContact CE1-CG 4.25Å; Y302-E319 HydrophobicContact CE2-CG 4.4Å; Y302-E319 HydrophobicContact CG-CB 3.93Å; Y302-E319 HydrophobicContact CG-CG 3.64Å; L315-E319 HydrophobicContact CB-CB 4.14Å; L315-E319 HydrophobicContact CD2-CB 4.1Å; S316-E319 WeakPolarHBondContact CB-OE2 3.45Å; S316-E319 PolarHBondContact N-OE2 3Å; S316-E319 WeakPolarHBondContact O-CB 3.43Å; S316-E319 PolarHBondContact O-N 2.92Å; S316-E319 VanDerWaalsContact OG-CG 3.29Å; S316-E319 WeakPolarHBondContact OG-CG 3.23Å; S316-E319 PolarHBondContact OG-N 3.05Å; S316-E319 PolarHBondContact OG-OE2 3.38Å; E319-I322 PolarHBondContact O-N 2.87Å; E319-N323 PolarHBondContact O-N 3.46Å
320L93.4Very high88.4Confident17 Ų1749.6 Ų49.69%0.08926%0.259CS..Hα-helixtrans-62.8-47.2172.6-68.1171.5000111.6P234 L237 L315 S316 L317 I322 N323 E324P234-L320 WeakPolarHBondContact O-CD1 3.43Å; L237-L320 HydrophobicContact CD2-CB 3.48Å; L237-L320 VanDerWaalsContact CD2-CB 3.48Å; L237-L320 HydrophobicContact CD2-CD1 4.43Å; L237-L320 HydrophobicContact CG-CB 3.89Å; L315-L320 HydrophobicContact CB-CD2 3.82Å; L315-L320 HydrophobicContact CB-CG 3.81Å; L315-L320 HydrophobicContact CD1-CD2 3.84Å; L315-L320 HydrophobicContact CG-CD2 4.46Å; S316-L320 PolarHBondContact O-N 3.44Å; L317-L320 PolarHBondContact O-N 3.01Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 3.38Å; L320-N323 PolarHBondContact O-N 2.81Å; L320-E324 PolarHBondContact O-N 3Å
321T95.1Very high89.9Confident7 Ų745.1 Ų45.14%0.04325%0.245CC..Hα-helixtrans-58.9-40.6176.4-550000112V245 L317 H318 A325 A351V245-T321 HydrophobicContact CG2-CG2 3.74Å; L317-T321 PolarHBondContact O-N 3.36Å; L317-T321 PolarHBondContact O-OG1 2.96Å; H318-T321 PolarHBondContact O-N 3.46Å; T321-A325 VanDerWaalsContact O-CB 3.26Å; T321-A325 WeakPolarHBondContact O-CB 3.37Å; T321-A325 PolarHBondContact O-N 3.18Å; T321-A351 HydrophobicContact CG2-CB 3.84Å
322I96Very high91.5Very high0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-67.2-41.4176.1-73.7176.8000111.6I301 Y302 H318 E319 L320 A326 S347 A351I301-I322 HydrophobicContact CB-CG2 4.12Å; I301-I322 HydrophobicContact CD1-CG2 3.84Å; I301-I322 HydrophobicContact CG1-CG2 4.37Å; I301-I322 HydrophobicContact CG2-CG2 4.19Å; Y302-I322 HydrophobicContact CD2-CB 4.25Å; Y302-I322 HydrophobicContact CD2-CG2 3.95Å; Y302-I322 HydrophobicContact CE2-CB 4.17Å; Y302-I322 HydrophobicContact CE2-CD1 3.79Å; Y302-I322 HydrophobicContact CE2-CG2 3.81Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.46Å; H318-I322 WeakPolarHBondContact O-CG1 3.4Å; H318-I322 PolarHBondContact O-N 2.88Å; E319-I322 PolarHBondContact O-N 2.87Å; L320-I322 VanDerWaalsContact C-N 3.31Å; L320-I322 PolarHBondContact O-N 3.38Å; I322-A326 WeakPolarHBondContact O-CB 3.38Å; I322-A326 PolarHBondContact O-N 3.38Å; I322-S347 WeakPolarHBondContact O-CB 3.28Å; I322-A351 HydrophobicContact CD1-CB 4.31Å; I322-A351 HydrophobicContact CG1-CB 3.6Å
323N95.6Very high92.6Very high22 Ų2238.2 Ų38.212%0.11819%0.187CC..Hα-helixtrans-64.8-45.7178.1-78.9-9.5000112I301 Y302 E319 L320 A326 A327I301-N323 PolarHBondContact N-OD1 2.85Å; Y302-N323 PolarHBondContact N-OD1 3.32Å; Y302-N323 PolarHBondContact O-ND2 2.96Å; E319-N323 PolarHBondContact O-N 3.46Å; L320-N323 PolarHBondContact O-N 2.81Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.93Å; N323-A327 PolarHBondContact O-N 3.04Å
324E95.8Very high93.2Very high28 Ų2832.5 Ų32.513%0.13116%0.163CC..Hα-helixtrans-63.8-45.5176.1-179.262-152.700111.1L237 V242 V245 R296 L320 A326 A327 Q328L237-E324 HydrophobicContact CD1-CB 3.43Å; L237-E324 VanDerWaalsContact CD1-CB 3.43Å; L237-E324 HydrophobicContact CD1-CG 3.91Å; V242-E324 HydrophobicContact CG1-CG 4.41Å; V245-E324 HydrophobicContact CG1-CB 4.49Å; V245-E324 HydrophobicContact CG1-CG 4.01Å; R296-E324 IonicContact NH1-OE2 2.69Å; L320-E324 PolarHBondContact O-N 3Å; E324-A326 PolarHBondContact O-N 3.13Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-Q328 HydrophobicContact CG-CG 4.28Å; E324-Q328 WeakPolarHBondContact O-CB 3.14Å; E324-Q328 VanDerWaalsContact O-CG 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.38Å; E324-Q328 PolarHBondContact O-N 3.28Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q328 PolarHBondContact OE1-NE2 3.38Å
325A96.9Very high93.6Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-58.4-39175.300000111.8V245 V249 T321 Q328 F329 V350V245-A325 HydrophobicContact CG1-CB 3.94Å; V249-A325 HydrophobicContact CG2-CB 4.42Å; T321-A325 VanDerWaalsContact O-CB 3.26Å; T321-A325 WeakPolarHBondContact O-CB 3.37Å; T321-A325 PolarHBondContact O-N 3.18Å; A325-Q328 PolarHBondContact O-N 2.99Å; A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 PolarHBondContact O-N 2.77Å; A325-V350 HydrophobicContact CB-CB 3.9Å; A325-V350 HydrophobicContact CB-CG1 3.85Å; A325-V350 HydrophobicContact CB-CG2 4.39Å
326A97.2Very high93.8Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-64.6-43.9177.200000112.4S299 I301 I322 N323 E324 F329 C330 L343 S347S299-A326 WeakPolarHBondContact O-CB 3.26Å; I301-A326 HydrophobicContact CD1-CB 3.8Å; I301-A326 HydrophobicContact CG1-CB 3.96Å; I322-A326 WeakPolarHBondContact O-CB 3.38Å; I322-A326 PolarHBondContact O-N 3.38Å; N323-A326 WeakPolarHBondContact O-CB 3.5Å; N323-A326 PolarHBondContact O-N 2.93Å; E324-A326 PolarHBondContact O-N 3.13Å; A326-F329 PolarHBondContact O-N 3.34Å; A326-C330 WeakPolarHBondContact O-CB 3.34Å; A326-C330 PolarHBondContact O-N 3.24Å; A326-C330 PolarHBondContact O-SG 3.39Å; A326-L343 HydrophobicContact CB-CD1 4.06Å; A326-L343 HydrophobicContact CB-CD2 4.38Å; A326-L343 HydrophobicContact CB-CG 4.22Å; A326-S347 WeakPolarHBondContact CA-OG 3.33Å; A326-S347 WeakPolarHBondContact CB-OG 3.48Å; A326-S347 PolarHBondContact N-OG 2.94Å
327A96.1Very high93.8Very high4 Ų424 Ų243%0.03312%0.118CC..Hα-helixtrans-61.1-47.6173.600000111.2R296 S299 N323 E324 F329 C330 M331R296-A327 HydrophobicContact CG-CB 4.16Å; S299-A327 WeakPolarHBondContact OG-CA 3.25Å; N323-A327 PolarHBondContact O-N 3.04Å; E324-A327 PolarHBondContact O-N 2.94Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 2.99Å; A327-C330 PolarHBondContact O-N 3.22Å; A327-C330 VanDerWaalsContact O-N 3.1Å; A327-M331 HydrophobicContact CB-CE 4.5Å; A327-M331 WeakPolarHBondContact O-CG 3.2Å; A327-M331 PolarHBondContact O-N 2.96Å
328Q96.1Very high93.8Very high19 Ų1919.7 Ų19.79%0.08910%0.095CC..Hα-helixtrans-62.1-33.3179.9-70.1-68.3-16.600113.9V245 V246 V249 E324 A325 M331 R332V245-Q328 HydrophobicContact CG1-CG 4.44Å; V246-Q328 HydrophobicContact CG2-CG 4.18Å; V249-Q328 HydrophobicContact CB-CB 4.31Å; V249-Q328 HydrophobicContact CG1-CB 4.07Å; V249-Q328 HydrophobicContact CG2-CB 3.87Å; E324-Q328 HydrophobicContact CG-CG 4.28Å; E324-Q328 WeakPolarHBondContact O-CB 3.14Å; E324-Q328 VanDerWaalsContact O-CG 3.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.38Å; E324-Q328 PolarHBondContact O-N 3.28Å; E324-Q328 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q328 PolarHBondContact OE1-NE2 3.38Å; A325-Q328 PolarHBondContact O-N 2.99Å; Q328-M331 HydrophobicContact CB-CE 4.45Å; Q328-M331 VanDerWaalsContact CD-CE 3.41Å; Q328-M331 HydrophobicContact CG-CE 4.09Å; Q328-R332 PolarHBondContact O-NH1 2.83Å
329F95.3Very high93.7Very high2 Ų218.7 Ų18.71%0.0099%0.089CC..Hα-helixtrans-70.2-47.2169.8-82.6-58.7000111.8V249 I252 F253 A325 A326 A327 M331 R332 D333 L336 L343 L346 V350V249-F329 HydrophobicContact CB-CE1 4.35Å; V249-F329 HydrophobicContact CB-CZ 4.32Å; V249-F329 HydrophobicContact CG1-CD1 3.8Å; V249-F329 HydrophobicContact CG1-CE1 3.83Å; V249-F329 HydrophobicContact CG1-CG 4.21Å; V249-F329 HydrophobicContact CG1-CZ 4.27Å; V249-F329 HydrophobicContact CG2-CD2 4.17Å; V249-F329 HydrophobicContact CG2-CE1 4.36Å; V249-F329 HydrophobicContact CG2-CE2 3.86Å; V249-F329 HydrophobicContact CG2-CZ 3.95Å; I252-F329 HydrophobicContact CB-CE1 4.42Å; I252-F329 HydrophobicContact CB-CZ 4.3Å; I252-F329 HydrophobicContact CD1-CZ 4.25Å; I252-F329 HydrophobicContact CG2-CE1 4.05Å; I252-F329 HydrophobicContact CG2-CZ 4.02Å; F253-F329 HydrophobicContact CD2-CD1 4.28Å; A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 PolarHBondContact O-N 2.77Å; A326-F329 PolarHBondContact O-N 3.34Å; A327-F329 VanDerWaalsContact C-N 3.31Å; A327-F329 PolarHBondContact O-N 2.99Å; F329-M331 VanDerWaalsContact C-N 3.34Å; F329-M331 PolarHBondContact O-N 3.22Å; F329-R332 PolarHBondContact O-N 3.21Å; F329-R332 VanDerWaalsContact O-N 3.08Å; F329-D333 PolarHBondContact O-N 3.42Å; F329-L336 HydrophobicContact CB-CD1 3.82Å; F329-L336 HydrophobicContact CD1-CD1 4.43Å; F329-L336 HydrophobicContact CG-CD1 4.42Å; F329-L343 HydrophobicContact CB-CD1 3.81Å; F329-L346 HydrophobicContact CD1-CD1 4.38Å; F329-L346 HydrophobicContact CD2-CB 3.93Å; F329-L346 HydrophobicContact CE1-CB 4.33Å; F329-L346 HydrophobicContact CE1-CD1 4.4Å; F329-L346 HydrophobicContact CE2-CB 3.55Å; F329-L346 HydrophobicContact CZ-CB 3.78Å; F329-V350 HydrophobicContact CE2-CG2 3.59Å; F329-V350 HydrophobicContact CZ-CG2 3.72Å
330C94.3Very high93.6Very high0 Ų023.7 Ų23.70%011%0.107CC..Hα-helixtrans-67.5-31.5-177.9-63.40000113.1I295 A326 A327 R332 D333 N334 L337 L343I295-C330 HydrophobicContact CG2-CB 3.47Å; I295-C330 VanDerWaalsContact CG2-CB 3.47Å; A326-C330 WeakPolarHBondContact O-CB 3.34Å; A326-C330 PolarHBondContact O-N 3.24Å; A326-C330 PolarHBondContact O-SG 3.39Å; A327-C330 PolarHBondContact O-N 3.22Å; A327-C330 VanDerWaalsContact O-N 3.1Å; C330-R332 PolarHBondContact O-N 2.93Å; C330-D333 CarbonylContact O-C 3.19Å; C330-D333 PolarHBondContact O-N 2.94Å; C330-N334 WeakPolarHBondContact O-CA 3.35Å; C330-N334 PolarHBondContact O-N 3.29Å; C330-N334 VanDerWaalsContact O-N 3.17Å; C330-N334 PolarHBondContact O-OD1 3.21Å; C330-L337 HydrophobicContact CB-CD2 4.05Å; C330-L337 HydrophobicContact CB-CG 4.16Å; C330-L343 VanDerWaalsContact SG-CD2 3.55Å
331M92.3Very high93.6Very high54 Ų5428.8 Ų28.827%0.26614%0.138SC..THydrogen-bonded Turntrans-66.9-22.5172.4-70.6-175.4-67.600113.2E292 I295 A327 Q328 F329E292-M331 HydrophobicContact CG-SD 3.62Å; I295-M331 HydrophobicContact CG2-CG 3.88Å; A327-M331 HydrophobicContact CB-CE 4.5Å; A327-M331 WeakPolarHBondContact O-CG 3.2Å; A327-M331 PolarHBondContact O-N 2.96Å; Q328-M331 HydrophobicContact CB-CE 4.45Å; Q328-M331 VanDerWaalsContact CD-CE 3.41Å; Q328-M331 HydrophobicContact CG-CE 4.09Å; F329-M331 VanDerWaalsContact C-N 3.34Å; F329-M331 PolarHBondContact O-N 3.22Å
332R90.6Very high93.5Very high73 Ų7331.3 Ų31.328%0.27515%0.149SC..THydrogen-bonded Turntrans-95.4-29.5176-70.9174174.671.61.9112.7E250 F253 Q328 F329 C330E250-R332 IonicContact OE1-CZ 2.84Å; E250-R332 IonicContact OE1-NH2 3.57Å; E250-R332 PolarHBondContact OE1-NH2 3.19Å; F253-R332 HydrophobicContact CD2-CB 4.16Å; F253-R332 HydrophobicContact CE1-CB 4.17Å; F253-R332 HydrophobicContact CE2-CB 3.79Å; F253-R332 HydrophobicContact CZ-CB 3.79Å; Q328-R332 PolarHBondContact O-NH1 2.83Å; F329-R332 PolarHBondContact O-N 3.21Å; F329-R332 VanDerWaalsContact O-N 3.08Å; C330-R332 PolarHBondContact O-N 2.93Å
333D90.3Very high93.5Very high26 Ų2631.6 Ų31.614%0.13915%0.151CC..  trans-143.897.6174.3-177.6-1.2000110.9F253 F329 C330 T335 L336 R339F253-D333 HydrophobicContact CE2-CB 3.75Å; F253-D333 HydrophobicContact CZ-CB 3.86Å; F329-D333 PolarHBondContact O-N 3.42Å; C330-D333 CarbonylContact O-C 3.19Å; C330-D333 PolarHBondContact O-N 2.94Å; D333-T335 PolarHBondContact O-N 3.14Å; D333-T335 WeakPolarHBondContact OD1-CB 2.85Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.48Å; D333-T335 PolarHBondContact OD1-N 3.09Å; D333-T335 PolarHBondContact OD1-OG1 3.12Å; D333-T335 PolarHBondContact OD2-OG1 3.27Å; D333-T335 VanDerWaalsContact OD2-OG1 3.05Å; D333-L336 HydrophobicContact CB-CD1 4.01Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.46Å; D333-L336 PolarHBondContact O-N 3.06Å; D333-L336 VanDerWaalsContact O-N 3.1Å; D333-R339 IonicContact OD2-NH2 2.66Å; D333-R339 PolarHBondContact OD2-NH2 3.25Å
334N91.4Very high93.5Very high27 Ų2733.9 Ų33.914%0.14416%0.16CC..G310 helixtrans-54.9-26.8177.9-64.8-48.4000112.6F282 I295 C330 L336 L337F282-N334 HydrophobicContact CD1-CB 3.96Å; F282-N334 HydrophobicContact CE1-CB 3.53Å; F282-N334 HydrophobicContact CZ-CB 4.14Å; F282-N334 VanDerWaalsContact CZ-O 3.24Å; F282-N334 WeakPolarHBondContact CZ-O 3.46Å; I295-N334 WeakPolarHBondContact CD1-OD1 3.24Å; C330-N334 WeakPolarHBondContact O-CA 3.35Å; C330-N334 PolarHBondContact O-N 3.29Å; C330-N334 VanDerWaalsContact O-N 3.17Å; C330-N334 PolarHBondContact O-OD1 3.21Å; N334-L336 PolarHBondContact O-N 2.85Å; N334-L337 WeakPolarHBondContact O-CB 3.46Å; N334-L337 WeakPolarHBondContact O-CG 3.35Å; N334-L337 PolarHBondContact O-N 2.9Å
335T90.9Very high93.6Very high13 Ų1335.8 Ų35.88%0.0818%0.176CC..G310 helixtrans-67.4-19.8-177.676.80000112.8V264 F282 D333 L337 L338 R339V264-T335 HydrophobicContact CB-CG2 4.25Å; V264-T335 HydrophobicContact CG1-CG2 4.08Å; V264-T335 HydrophobicContact CG2-CG2 3.36Å; F282-T335 HydrophobicContact CE1-CG2 4.32Å; D333-T335 PolarHBondContact O-N 3.14Å; D333-T335 WeakPolarHBondContact OD1-CB 2.85Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.48Å; D333-T335 PolarHBondContact OD1-N 3.09Å; D333-T335 PolarHBondContact OD1-OG1 3.12Å; D333-T335 PolarHBondContact OD2-OG1 3.27Å; D333-T335 VanDerWaalsContact OD2-OG1 3.05Å; T335-L337 PolarHBondContact O-N 3.23Å; T335-L338 WeakPolarHBondContact O-CA 3.36Å; T335-L338 VanDerWaalsContact O-CB 3.3Å; T335-L338 WeakPolarHBondContact O-CB 3.4Å; T335-L338 PolarHBondContact O-N 3.32Å; T335-R339 PolarHBondContact O-N 2.95Å; T335-R339 PolarHBondContact OG1-NE 3.13Å; T335-R339 PolarHBondContact OG1-NH2 3.45Å
336L92.2Very high93.5Very high3 Ų336.4 Ų36.42%0.01618%0.179CC..G310 helixtrans-66.7-20.7176.4-67.1173.4000112.7F329 D333 N334 L338 R339 E342 L343 L346F329-L336 HydrophobicContact CB-CD1 3.82Å; F329-L336 HydrophobicContact CD1-CD1 4.43Å; F329-L336 HydrophobicContact CG-CD1 4.42Å; D333-L336 HydrophobicContact CB-CD1 4.01Å; D333-L336 HydrophobicContact CB-CG 4.14Å; D333-L336 WeakPolarHBondContact O-CB 3.46Å; D333-L336 PolarHBondContact O-N 3.06Å; D333-L336 VanDerWaalsContact O-N 3.1Å; N334-L336 PolarHBondContact O-N 2.85Å; L336-L338 PolarHBondContact O-N 3.14Å; L336-R339 HydrophobicContact CD2-CB 4.46Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 PolarHBondContact O-N 2.72Å; L336-R339 VanDerWaalsContact O-N 3.14Å; L336-E342 HydrophobicContact CD2-CG 4.22Å; L336-L343 HydrophobicContact CB-CB 4.39Å; L336-L343 HydrophobicContact CB-CD1 4.15Å; L336-L346 HydrophobicContact CD1-CD1 4.27Å; L336-L346 HydrophobicContact CD2-CD1 4.27Å
337L92.6Very high93.5Very high10 Ų1036.4 Ų36.45%0.05218%0.179CC..G310 helixtrans-60.2-28.9167.2-65.3174.1000112.3I281 I295 C330 N334 T335I281-L337 HydrophobicContact CD1-CD1 4Å; I281-L337 HydrophobicContact CG2-CD1 4.36Å; I295-L337 HydrophobicContact CG1-CD1 4.45Å; C330-L337 HydrophobicContact CB-CD2 4.05Å; C330-L337 HydrophobicContact CB-CG 4.16Å; N334-L337 WeakPolarHBondContact O-CB 3.46Å; N334-L337 WeakPolarHBondContact O-CG 3.35Å; N334-L337 PolarHBondContact O-N 2.9Å; T335-L337 PolarHBondContact O-N 3.23Å
338L90.6Very high93.5Very high18 Ų1841.2 Ų41.29%0.09420%0.197CC..THydrogen-bonded Turntrans-85.6-29175.6-50.2178.6000111.9V264 L267 L268 L274 V278 F282 T335 L336 R340V264-L338 HydrophobicContact CG1-CD1 4.33Å; L267-L338 HydrophobicContact CB-CB 4.35Å; L267-L338 HydrophobicContact CB-CD1 3.68Å; L267-L338 HydrophobicContact CD1-CB 4.26Å; L267-L338 HydrophobicContact CD1-CD1 4.29Å; L268-L338 HydrophobicContact CD2-CD1 3.88Å; L268-L338 HydrophobicContact CD2-CD2 3.79Å; L268-L338 HydrophobicContact CD2-CG 4.5Å; L268-L338 HydrophobicContact CG-CD1 3.85Å; L274-L338 HydrophobicContact CD2-CB 4.42Å; L274-L338 HydrophobicContact CD2-CD2 3.76Å; L274-L338 HydrophobicContact CG-CD2 3.85Å; V278-L338 HydrophobicContact CG2-CD2 3.68Å; F282-L338 HydrophobicContact CE2-CD1 4.3Å; F282-L338 HydrophobicContact CE2-CD2 4.28Å; F282-L338 HydrophobicContact CE2-CG 4.31Å; F282-L338 HydrophobicContact CZ-CD1 3.9Å; F282-L338 HydrophobicContact CZ-CD2 4.42Å; F282-L338 HydrophobicContact CZ-CG 3.97Å; T335-L338 WeakPolarHBondContact O-CA 3.36Å; T335-L338 VanDerWaalsContact O-CB 3.3Å; T335-L338 WeakPolarHBondContact O-CB 3.4Å; T335-L338 PolarHBondContact O-N 3.32Å; L336-L338 PolarHBondContact O-N 3.14Å; L338-R340 PolarHBondContact O-N 2.73Å
339R91.2Very high93.5Very high46 Ų4644.1 Ų44.117%0.17421%0.21CC..  trans-101.751.8-175.2-59-175.4-74.8146.5-9.5112.3L267 D333 T335 L336 V341 E342 L343L267-R339 HydrophobicContact CD1-CG 4.11Å; D333-R339 IonicContact OD2-NH2 2.66Å; D333-R339 PolarHBondContact OD2-NH2 3.25Å; T335-R339 PolarHBondContact O-N 2.95Å; T335-R339 PolarHBondContact OG1-NE 3.13Å; T335-R339 PolarHBondContact OG1-NH2 3.45Å; L336-R339 HydrophobicContact CD2-CB 4.46Å; L336-R339 CarbonylContact O-C 3.41Å; L336-R339 PolarHBondContact O-N 2.72Å; L336-R339 VanDerWaalsContact O-N 3.14Å; R339-V341 VanDerWaalsContact C-N 3.27Å; R339-V341 PolarHBondContact O-N 2.94Å; R339-E342 HydrophobicContact CB-CB 4.18Å; R339-E342 WeakPolarHBondContact CD-OE2 3.29Å; R339-E342 IonicContact CZ-OE1 3.93Å; R339-E342 IonicContact CZ-OE2 2.77Å; R339-E342 IonicContact NE-OE2 2.83Å; R339-E342 IonicContact NH1-OE1 3.84Å; R339-E342 PolarHBondContact NH1-OE1 2.66Å; R339-E342 IonicContact NH1-OE2 3.5Å; R339-E342 PolarHBondContact NH1-OE2 2.87Å; R339-E342 WeakPolarHBondContact O-CB 3.35Å; R339-E342 PolarHBondContact O-N 2.94Å; R339-L343 PolarHBondContact O-N 3.36Å
340R91.3Very high93.5Very high129 Ų12944 Ų4449%0.48721%0.21SC..Hα-helixtrans-51.4-35.5-171.8-174.5-179.5-68.8-167.30.2115.5R304 L338 E342 F344R304-R340 VanDerWaalsContact NH2-NH2 3.14Å; L338-R340 PolarHBondContact O-N 2.73Å; R340-E342 VanDerWaalsContact C-N 3.35Å; R340-F344 WeakPolarHBondContact O-CB 3.5Å; R340-F344 PolarHBondContact O-N 3.36Å
341V93.9Very high93.5Very high123 Ų12344 Ų4475%0.74521%0.21SC*.Hα-helixtrans-67.1-38.3179.3179.10000111.4R339 S345R339-V341 VanDerWaalsContact C-N 3.27Å; R339-V341 PolarHBondContact O-N 2.94Å; V341-S345 PolarHBondContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.05Å
342E93.7Very high93.6Very high61 Ų6149.9 Ų49.929%0.28523%0.229SC..Hα-helixtrans-70.2-50.4175.7-173.8177.9168.600110.2L336 R339 R340 F344 S345 L346L336-E342 HydrophobicContact CD2-CG 4.22Å; R339-E342 HydrophobicContact CB-CB 4.18Å; R339-E342 WeakPolarHBondContact CD-OE2 3.29Å; R339-E342 IonicContact CZ-OE1 3.93Å; R339-E342 IonicContact CZ-OE2 2.77Å; R339-E342 IonicContact NE-OE2 2.83Å; R339-E342 IonicContact NH1-OE1 3.84Å; R339-E342 PolarHBondContact NH1-OE1 2.66Å; R339-E342 IonicContact NH1-OE2 3.5Å; R339-E342 PolarHBondContact NH1-OE2 2.87Å; R339-E342 WeakPolarHBondContact O-CB 3.35Å; R339-E342 PolarHBondContact O-N 2.94Å; R340-E342 VanDerWaalsContact C-N 3.35Å; E342-F344 VanDerWaalsContact C-N 3.3Å; E342-F344 PolarHBondContact O-N 2.85Å; E342-S345 WeakPolarHBondContact O-CA 3.48Å; E342-S345 WeakPolarHBondContact O-CB 3.39Å; E342-S345 PolarHBondContact O-N 3.48Å; E342-L346 HydrophobicContact CG-CD1 4.11Å; E342-L346 HydrophobicContact CG-CG 4.45Å; E342-L346 WeakPolarHBondContact O-CG 3.37Å; E342-L346 PolarHBondContact O-N 2.97Å
343L95.1Very high93.6Very high5 Ų548.8 Ų48.83%0.02623%0.227CC..Hα-helixtrans-51-47.8174.4-179.562.1000112.2I301 A326 F329 C330 L336 R339 S345 L346 S347I301-L343 HydrophobicContact CD1-CG 4.49Å; A326-L343 HydrophobicContact CB-CD1 4.06Å; A326-L343 HydrophobicContact CB-CD2 4.38Å; A326-L343 HydrophobicContact CB-CG 4.22Å; F329-L343 HydrophobicContact CB-CD1 3.81Å; C330-L343 VanDerWaalsContact SG-CD2 3.55Å; L336-L343 HydrophobicContact CB-CB 4.39Å; L336-L343 HydrophobicContact CB-CD1 4.15Å; R339-L343 PolarHBondContact O-N 3.36Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.8Å; L343-L346 PolarHBondContact O-N 3.09Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 2.89Å; L343-S347 VanDerWaalsContact O-OG 3.13Å
344F96.5Very high93.4Very high71 Ų7147.6 Ų47.631%0.31122%0.221SC..Hα-helixtrans-61.4-38.8176.8179.4-114.7000113I301 Y302 R340 E342 R348I301-F344 HydrophobicContact CD1-CB 4.32Å; I301-F344 HydrophobicContact CD1-CD2 4.05Å; I301-F344 HydrophobicContact CG2-CD2 3.64Å; I301-F344 HydrophobicContact CG2-CE2 3.95Å; Y302-F344 HydrophobicContact CE2-CE2 4.18Å; R340-F344 WeakPolarHBondContact O-CB 3.5Å; R340-F344 PolarHBondContact O-N 3.36Å; E342-F344 VanDerWaalsContact C-N 3.3Å; E342-F344 PolarHBondContact O-N 2.85Å; F344-R348 VanDerWaalsContact O-CB 3.23Å; F344-R348 WeakPolarHBondContact O-CB 3.38Å; F344-R348 PolarHBondContact O-N 3.24Å
345S95.9Very high93.2Very high68 Ų6850.7 Ų50.748%0.47624%0.241SC..Hα-helixtrans-68.1-43.7179.2-57.60000111.3V341 E342 L343 R348 Q349V341-S345 PolarHBondContact O-N 3.12Å; V341-S345 PolarHBondContact O-OG 3.05Å; E342-S345 WeakPolarHBondContact O-CA 3.48Å; E342-S345 WeakPolarHBondContact O-CB 3.39Å; E342-S345 PolarHBondContact O-N 3.48Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.8Å; S345-R348 PolarHBondContact O-N 3.36Å; S345-Q349 PolarHBondContact O-N 2.85Å
346L95.6Very high93Very high12 Ų1257.5 Ų57.56%0.06327%0.266CS..Hα-helixtrans-65-49177.1-64.6174.2000111.9I252 F256 F329 L336 E342 L343 R348 Q349 V350I252-L346 HydrophobicContact CG2-CD2 4.21Å; F256-L346 HydrophobicContact CE1-CD2 4.19Å; F256-L346 HydrophobicContact CE2-CD2 4.02Å; F256-L346 HydrophobicContact CZ-CD2 3.5Å; F256-L346 VanDerWaalsContact CZ-CD2 3.5Å; F329-L346 HydrophobicContact CD1-CD1 4.38Å; F329-L346 HydrophobicContact CD2-CB 3.93Å; F329-L346 HydrophobicContact CE1-CB 4.33Å; F329-L346 HydrophobicContact CE1-CD1 4.4Å; F329-L346 HydrophobicContact CE2-CB 3.55Å; F329-L346 HydrophobicContact CZ-CB 3.78Å; L336-L346 HydrophobicContact CD1-CD1 4.27Å; L336-L346 HydrophobicContact CD2-CD1 4.27Å; E342-L346 HydrophobicContact CG-CD1 4.11Å; E342-L346 HydrophobicContact CG-CG 4.45Å; E342-L346 WeakPolarHBondContact O-CG 3.37Å; E342-L346 PolarHBondContact O-N 2.97Å; L343-L346 PolarHBondContact O-N 3.09Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.12Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 3.03Å; L346-V350 PolarHBondContact O-N 3.36Å
347S97.3Very high92.5Very high0 Ų059.4 Ų59.40%028%0.276CS..Hα-helixtrans-63.4-35.4178-60.10000112.6I322 A326 L343 V350 A351I322-S347 WeakPolarHBondContact O-CB 3.28Å; A326-S347 WeakPolarHBondContact CA-OG 3.33Å; A326-S347 WeakPolarHBondContact CB-OG 3.48Å; A326-S347 PolarHBondContact N-OG 2.94Å; L343-S347 WeakPolarHBondContact O-CB 3.37Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 2.89Å; L343-S347 VanDerWaalsContact O-OG 3.13Å; S347-V350 PolarHBondContact O-N 3.19Å; S347-A351 WeakPolarHBondContact O-CB 3.41Å; S347-A351 PolarHBondContact O-N 3.06Å
348R96.6Very high92Very high105 Ų10561.2 Ų61.240%0.39629%0.289SS..Hα-helixtrans-67.2-34.2172.1172.9171.6-84.2-96.8-7.9112.4F344 S345 L346 R352F344-R348 VanDerWaalsContact O-CB 3.23Å; F344-R348 WeakPolarHBondContact O-CB 3.38Å; F344-R348 PolarHBondContact O-N 3.24Å; S345-R348 PolarHBondContact O-N 3.36Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.12Å; R348-R352 WeakPolarHBondContact O-CG 3.42Å; R348-R352 PolarHBondContact O-N 3.13Å
349Q95.1Very high91.5Very high81 Ų8164.5 Ų64.538%0.37931%0.314SS..Hα-helixtrans-63.4-51.8172.2177.2178.2-20.700110.5I252 S345 L346 A351 R352 E353I252-Q349 HydrophobicContact CD1-CG 3.98Å; S345-Q349 PolarHBondContact O-N 2.85Å; L346-Q349 WeakPolarHBondContact O-CB 3.38Å; L346-Q349 PolarHBondContact O-N 3.03Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.32Å; Q349-R352 WeakPolarHBondContact O-CB 3.43Å; Q349-R352 PolarHBondContact O-N 3.34Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.48Å; Q349-E353 PolarHBondContact NE2-OE1 3.13Å; Q349-E353 PolarHBondContact O-N 3.08Å
350V95.9Very high90.8Very high0 Ų065.3 Ų65.30%032%0.321CS..Hα-helixtrans-55.3-47.9177.4174.20000111V245 V249 I252 A325 F329 L346 S347 R352 E353 S354V245-V350 HydrophobicContact CB-CG1 4.38Å; V245-V350 HydrophobicContact CG1-CG1 4.06Å; V245-V350 HydrophobicContact CG2-CG1 4.25Å; V249-V350 HydrophobicContact CG2-CG1 4.4Å; V249-V350 HydrophobicContact CG2-CG2 3.9Å; I252-V350 HydrophobicContact CD1-CG2 3.54Å; A325-V350 HydrophobicContact CB-CB 3.9Å; A325-V350 HydrophobicContact CB-CG1 3.85Å; A325-V350 HydrophobicContact CB-CG2 4.39Å; F329-V350 HydrophobicContact CE2-CG2 3.59Å; F329-V350 HydrophobicContact CZ-CG2 3.72Å; L346-V350 PolarHBondContact O-N 3.36Å; S347-V350 PolarHBondContact O-N 3.19Å; V350-R352 PolarHBondContact O-N 3.17Å; V350-E353 CarbonylContact O-C 3.6Å; V350-E353 PolarHBondContact O-N 2.79Å; V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 PolarHBondContact O-OG 3.46Å; V350-S354 VanDerWaalsContact O-OG 3.12Å
351A94.9Very high89.7Confident0 Ų063.3 Ų63.30%032%0.316CS..Hα-helixtrans-60.7-30.4-179.900000113.6T321 I322 S347 Q349 T355T321-A351 HydrophobicContact CG2-CB 3.84Å; I322-A351 HydrophobicContact CD1-CB 4.31Å; I322-A351 HydrophobicContact CG1-CB 3.6Å; S347-A351 WeakPolarHBondContact O-CB 3.41Å; S347-A351 PolarHBondContact O-N 3.06Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.32Å; A351-T355 PolarHBondContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 2.86Å
352R93.6Very high88Confident177 Ų17760 Ų6067%0.66831%0.306SS*.Hα-helixtrans-74.4-41.5172.3-69.2175.370.7-140.1-0.3112.2R348 Q349 V350 T355 Y356R348-R352 WeakPolarHBondContact O-CG 3.42Å; R348-R352 PolarHBondContact O-N 3.13Å; Q349-R352 WeakPolarHBondContact O-CB 3.43Å; Q349-R352 PolarHBondContact O-N 3.34Å; V350-R352 PolarHBondContact O-N 3.17Å; R352-T355 PolarHBondContact O-N 2.96Å; R352-Y356 PolarHBondContact O-N 3.14Å; R352-Y356 VanDerWaalsContact O-N 3.09Å
353E89.9Confident86Confident49 Ų4961.8 Ų61.823%0.22933%0.326CS..Hα-helixtrans-61.8-45.7174.8-72.9-177.7-148.700111.1R251 Q349 V350 T355 Y356 L357R251-E353 IonicContact NH1-OE2 3.32Å; R251-E353 PolarHBondContact NH1-OE2 3.41Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.48Å; Q349-E353 PolarHBondContact NE2-OE1 3.13Å; Q349-E353 PolarHBondContact O-N 3.08Å; V350-E353 CarbonylContact O-C 3.6Å; V350-E353 PolarHBondContact O-N 2.79Å; E353-T355 PolarHBondContact O-N 3.46Å; E353-Y356 PolarHBondContact O-N 3.33Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.42Å
354S88.1Confident83.7Confident1 Ų170.7 Ų70.71%0.00736%0.359CS..Hα-helixtrans-57.1-47.8175.1-60.20000111.9V350 Y356 L357 S358V350-S354 PolarHBondContact O-N 3.23Å; V350-S354 PolarHBondContact O-OG 3.46Å; V350-S354 VanDerWaalsContact O-OG 3.12Å; S354-Y356 VanDerWaalsContact C-N 3.35Å; S354-Y356 PolarHBondContact O-N 2.84Å; S354-L357 PolarHBondContact O-N 3.29Å; S354-S358 WeakPolarHBondContact O-CB 3.48Å; S354-S358 PolarHBondContact O-N 2.82Å; S354-S358 PolarHBondContact O-OG 3.12Å; S354-S358 VanDerWaalsContact O-OG 3.13Å
355T87.1Confident81.2Confident92 Ų9273.9 Ų73.956%0.56438%0.379SS*.Hα-helixtrans-59.3-44176.8-55.10000112.1A351 R352 E353 S359A351-T355 PolarHBondContact O-N 3.1Å; A351-T355 PolarHBondContact O-OG1 2.86Å; R352-T355 PolarHBondContact O-N 2.96Å; E353-T355 PolarHBondContact O-N 3.46Å; T355-S359 PolarHBondContact O-N 2.88Å; T355-S359 VanDerWaalsContact O-N 3.12Å
356Y86.5Confident78.2Confident156 Ų15677.2 Ų77.261%0.61239%0.386SS*.Hα-helixtrans-65.3-46.1178.5178.9-100.8000112.2R352 E353 S354 S359 L360R352-Y356 PolarHBondContact O-N 3.14Å; R352-Y356 VanDerWaalsContact O-N 3.09Å; E353-Y356 PolarHBondContact O-N 3.33Å; S354-Y356 VanDerWaalsContact C-N 3.35Å; S354-Y356 PolarHBondContact O-N 2.84Å; Y356-S359 PolarHBondContact O-N 3.37Å; Y356-L360 HydrophobicContact CE1-CD2 4.37Å; Y356-L360 WeakPolarHBondContact O-CB 3.36Å; Y356-L360 PolarHBondContact O-N 2.93Å
357L81.8Confident75.3Confident44 Ų4482.8 Ų82.823%0.2342%0.423CS..Hα-helixtrans-69.3-35.7-179.1-67.1170.8000112.4M244 E353 S354 L360 K361M244-L357 HydrophobicContact CE-CB 3.38Å; M244-L357 HydrophobicContact CE-CD1 3.69Å; M244-L357 HydrophobicContact CE-CG 4.14Å; E353-L357 WeakPolarHBondContact O-CB 3.4Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 3.41Å; E353-L357 PolarHBondContact O-N 3.42Å; S354-L357 PolarHBondContact O-N 3.29Å; L357-L360 PolarHBondContact O-N 3.13Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.09Å
358S81.1Confident72.7Confident47 Ų4790.8 Ų90.833%0.32946%0.461SS..Hα-helixtrans-63.9-40.6171.8-690000111.9M241 S354 K361 G362M241-S358 WeakPolarHBondContact CE-OG 3.44Å; S354-S358 WeakPolarHBondContact O-CB 3.48Å; S354-S358 PolarHBondContact O-N 2.82Å; S354-S358 PolarHBondContact O-OG 3.12Å; S354-S358 VanDerWaalsContact O-OG 3.13Å; S358-K361 PolarHBondContact O-N 2.87Å; S358-G362 PolarHBondContact O-N 3.05Å
359S80.8Confident70.2Confident87 Ų8793.7 Ų93.761%0.60848%0.479SS*.Hα-helixtrans-63.6-42.4173178.90000111.9T355 Y356 G362 S363T355-S359 PolarHBondContact O-N 2.88Å; T355-S359 VanDerWaalsContact O-N 3.12Å; Y356-S359 PolarHBondContact O-N 3.37Å; S359-G362 PolarHBondContact O-N 3.38Å; S359-S363 PolarHBondContact O-N 2.9Å
360L77.1Confident67.5Low64 Ų6498 Ų9834%0.33550%0.504SS..Hα-helixtrans-69.5-32.8178.7-168.867.6000113.2Y356 L357Y356-L360 HydrophobicContact CE1-CD2 4.37Å; Y356-L360 WeakPolarHBondContact O-CB 3.36Å; Y356-L360 PolarHBondContact O-N 2.93Å; L357-L360 PolarHBondContact O-N 3.13Å
361K67.9Low65.2Low87 Ų87102.4 Ų102.438%0.37855%0.549SS..Hα-helixtrans-70.1-45.3171.2-82.3-177.4161.2-168.70111.3E240 M244 L357 S358 S363 R364E240-K361 IonicContact OE1-NZ 3.15Å; E240-K361 PolarHBondContact OE1-NZ 3.24Å; M244-K361 HydrophobicContact CE-CD 4.48Å; M244-K361 HydrophobicContact SD-CD 4.2Å; M244-K361 PolarHBondContact SD-NZ 3.09Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 WeakPolarHBondContact O-CG 3.32Å; L357-K361 PolarHBondContact O-N 3.09Å; S358-K361 PolarHBondContact O-N 2.87Å; K361-S363 PolarHBondContact O-N 3.47Å; K361-R364 PolarHBondContact O-N 2.96Å
362G57.3Low62.3Low52 Ų52105.5 Ų105.554%0.53658%0.581SS.*Hα-helixtrans-59.2-29.7175.800000113.3S358 S359 R364S358-G362 PolarHBondContact O-N 3.05Å; S359-G362 PolarHBondContact O-N 3.38Å; G362-R364 VanDerWaalsContact C-N 3.29Å; G362-R364 PolarHBondContact O-N 3.4Å
363S51.4Low59.6Low100 Ų100102.8 Ų102.870%0.69959%0.586SS**THydrogen-bonded Turntrans-74.8-8.6173.9-172.40000115S359 K361S359-S363 PolarHBondContact O-N 2.9Å; K361-S363 PolarHBondContact O-N 3.47Å
364R47.3Very low57.2Low192 Ų192106.4 Ų106.473%0.72561%0.614SS**THydrogen-bonded Turntrans-108.3-4.6-179.5-64.4-172.9-155.3-122.97114K361 G362K361-R364 PolarHBondContact O-N 2.96Å; G362-R364 VanDerWaalsContact C-N 3.29Å; G362-R364 PolarHBondContact O-N 3.4Å
365L44.4Very low54.9Low137 Ų137114.3 Ų114.372%0.71766%0.655SS**SBendtrans-117.4118.1-179.7-60.4177.8000108.7
366H32.4Very low52.4Low138 Ų138119 Ų11964%0.63967%0.667SS**  trans82.9101.7168.8-152.3-81.6000117.9E368 E369H366-E368 PolarHBondContact CD2-O 3.13Å; H366-E368 VanDerWaalsContact CD2-O 3.26Å; H366-E368 PolarHBondContact CE1-O 3.4Å; H366-E368 VanDerWaalsContact CE1-O 3.22Å; H366-E368 PolarHBondContact NE2-O 3.26Å; H366-E369 PolarHBondContact CE1-O 2.67Å; H366-E369 PolarHBondContact NE2-O 3.41Å
367P35.8Very low50.1Low129 Ų129121.6 Ų121.684%0.83868%0.682SS**SBend-133.463.2119.540-31.3000113.2
368E42.9Very low47.8Very low168 Ų168127.9 Ų127.979%0.78572%0.715SS**SBendtrans-138.4135.1160.4-86.9-160.4105.500108.3H366H366-E368 PolarHBondContact CD2-O 3.13Å; H366-E368 VanDerWaalsContact CD2-O 3.26Å; H366-E368 PolarHBondContact CE1-O 3.4Å; H366-E368 VanDerWaalsContact CE1-O 3.22Å; H366-E368 PolarHBondContact NE2-O 3.26Å
369E42.8Very low45.5Very low166 Ų166133 Ų13378%0.77673%0.732SS**SBendtrans80.676.2-170.5-59.4-127.292.800117.3H366H366-E369 PolarHBondContact CE1-O 2.67Å; H366-E369 PolarHBondContact NE2-O 3.41Å
370L38.3Very low43.1Very low173 Ų173138 Ų13891%0.90675%0.745SS**  -177.7117.4117.3-95.9164.1000109.3G372L370-G372 PolarHBondContact O-N 3.5Å
371G47.8Very low41Very low91 Ų91140.7 Ų140.794%0.93876%0.756SS**  trans-68.2124.6-177.300000112.9
372G34.4Very low39.1Very low66 Ų66142.7 Ų142.768%0.6878%0.775SS**  trans-151.9145.2173.600000110.8L370L370-G372 PolarHBondContact O-N 3.5Å
373P37Very low37.7Very low120 Ų120143.8 Ų143.878%0.77979%0.786SS**  trans-76.5152.3-159.729.6-36.3000114.5L375P373-L375 PolarHBondContact O-N 3.03Å
374P38.2Very low36.7Very low124 Ų124146.5 Ų146.581%0.80579%0.788SS**  trans-74.8122.2-174.129.6-34.9000112.9K376P374-K376 PolarHBondContact O-N 3.33Å
375L39.7Very low35.9Very low167 Ų167145 Ų14587%0.87479%0.789SS**  trans-79.389.7172.5-77.1174.9000112.1P373P373-L375 PolarHBondContact O-N 3.03Å
376K35.9Very low35.1Very low190 Ų190143.5 Ų143.583%0.82679%0.79SS**  trans38.698.8143.4-59.6-179.4-178.4178.70117.2P374P374-K376 PolarHBondContact O-N 3.33Å
377K38.2Very low35Very low212 Ų212144.1 Ų144.192%0.92279%0.793SS**PPolyproline II helixtrans-62.5141.3162.5-68-177.8176.6-179.70110.9
378L33.8Very low35Very low175 Ų175144 Ų14492%0.91679%0.792SS**PPolyproline II helixtrans-75.6131.3169-166.870.4000110
379K32.9Very low34.2Very low156 Ų156143.3 Ų143.368%0.67879%0.789SS**PPolyproline II helixtrans-62.9129-172.5-174.7173176.6-172.70113.8E381K379-E381 WeakPolarHBondContact CE-OE1 3.36Å; K379-E381 WeakPolarHBondContact CE-OE2 3.31Å; K379-E381 IonicContact NZ-OE1 2.77Å; K379-E381 IonicContact NZ-OE2 3.75Å; K379-E381 PolarHBondContact NZ-OE2 2.96Å
380Q30.3Very low33.7Very low192 Ų192141.2 Ų141.290%0.89778%0.782SS**  trans-133.6111.6155.2-173.8166.8-0.800109.3
381E32.2Very low33.1Very low120 Ų120141.3 Ų141.356%0.56178%0.778SS**  trans-66.2161.7170.9-36.4-78.861.100109.6K379K379-E381 WeakPolarHBondContact CE-OE1 3.36Å; K379-E381 WeakPolarHBondContact CE-OE2 3.31Å; K379-E381 IonicContact NZ-OE1 2.77Å; K379-E381 IonicContact NZ-OE2 3.75Å; K379-E381 PolarHBondContact NZ-OE2 2.96Å
382V28.9Very low32.6Very low128 Ų128144.7 Ų144.778%0.77677%0.769SS**  cis-163.9152.2-12.2126.60000105.7
383G27.9Very low32.6Very low75 Ų75147.3 Ų147.377%0.77377%0.774SS**  trans176.968.7-17900000115.6
384E30.1Very low33.1Very low157 Ų157146.8 Ų146.873%0.73477%0.77SS**  trans-49.1155.5159.7-70171.68300111.9
385Q29Very low33.8Very low162 Ų162146.6 Ų146.676%0.75777%0.769SS**  cis-164.4165.83-107.5174.466.700105.3
386S29Very low33.3Very low105 Ų105142.1 Ų142.173%0.73476%0.763SS**  cis-163.1-161.1-4.555.60000108.8
387H28.9Very low33.8Very low151 Ų151138.5 Ų138.570%0.69976%0.759SS**  trans-128.2151.4169-154.4-108.8000108.8
388P35.9Very low33.4Very low125 Ų125137 Ų13781%0.81276%0.755SS**  -144-168.5103.237-19.2000114.6
389E27.6Very low33.2Very low154 Ų154132.7 Ų132.772%0.7274%0.74SS**  trans-117.9176.9-149.9-169.3-174.689.900114
390I30.7Very low33Very low122 Ų122136.3 Ų136.363%0.62675%0.751SS**  trans87113.6159.4-48.6178.3000118.3
391Q27.8Very low33.1Very low176 Ų176131.2 Ų131.282%0.82274%0.742SS**  170.1144103.6-155.581.972.700112.4
392Q35.7Very low34.1Very low162 Ų162131.1 Ų131.176%0.75775%0.751SS**  trans-78.6163.8173.6-117.8-178.611.300113.2
393P35.2Very low35.3Very low120 Ų120129.9 Ų129.978%0.77975%0.746SS**  -148.1175.4103.535.5-16.8000116.7
394P47.4Very low35.2Very low109 Ų109136.3 Ų136.371%0.70875%0.749SS**  trans-117.7-144.8-168.835-12.9000113.9
395P52.2Low35.4Very low120 Ų120139.1 Ų139.178%0.77975%0.752SS**  -132162.9-92.341.7-25.5000118.5
396G29.4Very low36.2Very low73 Ų73136.4 Ų136.475%0.75375%0.749SS**  trans80.9-178.8147.900000119.7
397P46.7Very low36Very low114 Ų114136.8 Ų136.874%0.7475%0.751SS**  cis-145.5-179.5-15.244.5-26.8000116.4
398E30.7Very low36.2Very low180 Ų180136.2 Ų136.284%0.84175%0.753SS**  trans71.3152.1157.9-56.5-156.6126.200119.6
399S29.2Very low36.1Very low85 Ų85137.9 Ų137.959%0.59475%0.75SS**  cis-162.7155.23.1-123.50000115.1
400Y29.2Very low36.4Very low233 Ų233138.8 Ų138.891%0.91475%0.754SS**  trans67.5157.2154-85.9-106.3000124.3
401A31.9Very low36.6Very low85 Ų85140.1 Ų140.170%0.70276%0.762SS**  trans-140.4-159.5-174.700000112.6
402P53.2Low36.9Very low117 Ų117136.7 Ų136.776%0.7676%0.758SS**  -92.8-151.2-122.444.2-27.1000113.6
403P53.3Low36.7Very low102 Ų102133.6 Ų133.666%0.66276%0.76SS**  cis-142.7-157.91.228.11.4000116.7
404Y26.9Very low36.9Very low211 Ų211133.2 Ų133.283%0.82776%0.76SS**  trans79.2151.1169.2-75-100.9000119
405R34.4Very low36.4Very low215 Ų215135 Ų13581%0.81176%0.763SS**  cis-170.8-161.7-30.1-127.7-94.9-175151.60.8109.2
406P45.4Very low35.7Very low105 Ų105134.7 Ų134.768%0.68276%0.764SS**  -98.1-157.9-12645-27.4000117.6
407S25.3Very low35.9Very low113 Ų113134.9 Ų134.979%0.7977%0.765SS**  trans102.9150163.1-152.50000114.9
408L32.6Very low35.4Very low139 Ų139138.4 Ų138.473%0.72877%0.772SS**  cis-172.3168-30-171.779000106.3
409E32.6Very low35.6Very low160 Ų160135 Ų13575%0.74877%0.768SS**  trans70.7156.3164.2-51.7-169.316500117
410E34.5Very low36Very low174 Ų174138.4 Ų138.481%0.81378%0.779SS**  cis178.4170.2-41.4-116.7-173.2117.600106.1
411D35.5Very low36.4Very low149 Ų149134.7 Ų134.780%0.79778%0.775SS**  trans83.8150.7159.2-139.9-65.4000121.2
412S33.2Very low36.3Very low105 Ų105134 Ų13473%0.73478%0.776SS**  trans97.275.4154.6-70.20000118.8
413A31.3Very low35.3Very low96 Ų96136.4 Ų136.479%0.79378%0.777SS**  trans-69.7147.9154.800000112.7
414S39.4Very low34.4Very low113 Ų113138 Ų13879%0.7978%0.779SS**  trans166.9144.1159.6-84.20000108.6
415L37.4Very low34.6Very low145 Ų145137.6 Ų137.676%0.75979%0.785SS**  cis-153.1141.9-6.4-90.8152.8000105.2
416S36.7Very low34.4Very low115 Ų115131.5 Ų131.580%0.80478%0.78SS**  43.9130.996.4-46.60000115.4
417G34.7Very low33.7Very low76 Ų76133.6 Ų133.678%0.78479%0.791SS**  cis142140.5-4.200000112.9
418E35.3Very low33.9Very low189 Ų189131.4 Ų131.488%0.88379%0.786SS**  trans-167.4128.7165.949.5-162.6127.100109
419S36.2Very low33.7Very low107 Ų107130.5 Ų130.575%0.74879%0.791SS**  68.4138.271.9-116.10000114.1
420L36.5Very low33.5Very low158 Ų158128.9 Ų128.983%0.82780%0.796SS**  cis-155.3170.212-165.1137.3000112
421D37.9Very low33.9Very low155 Ų155127 Ų12783%0.82980%0.799SS**  trans-47.7167.2-177.8-121.6-82.3000121.2
422G30.1Very low33.6Very low71 Ų71130.2 Ų130.273%0.73280%0.8SS**  trans175.439.3176.200000125.1
423H31.7Very low33.5Very low166 Ų166131.4 Ų131.477%0.76980%0.797SS**  trans45.3121.3144.9-146.475000125.4
424L35.5Very low33.6Very low137 Ų137133.2 Ų133.272%0.71780%0.799SS**  trans32.4127.6149.1-56.7-172.8000124.2
425Q31.1Very low33.7Very low201 Ų201133.2 Ų133.294%0.93980%0.796SS**  -169168.3111.7-109.3-179.372.300113.8
426A30Very low33.9Very low87 Ų87131.9 Ų131.972%0.71980%0.796SS**  trans-119.7-175.2-174.100000112.8
427V30Very low34.1Very low150 Ų150132.3 Ų132.391%0.90980%0.796SS**  trans99.7117.8174.6-175.60000114.7
428G29.4Very low34.2Very low66 Ų66133.3 Ų133.368%0.6880%0.797SS**  trans-92.7-177.7-173.700000116.2
429S28.7Very low34.1Very low121 Ų121132 Ų13285%0.84680%0.796SS**  trans-168.7141.9146.4-82.90000110.2
430C28.8Very low34.3Very low126 Ų126135 Ų13585%0.85180%0.803SS**  trans-73.1156.5163.9-56.90000109.5
431P41.8Very low34.5Very low133 Ų133133 Ų13386%0.86480%0.799SS**  -136.9169.6108.634.2-21.3000114.8
432R30.4Very low34.2Very low218 Ų218134 Ų13482%0.82380%0.804SS**  trans-94.3139.7-172.9175.9-155.7-178.2-156.72.4110.1
433L30.9Very low34.4Very low129 Ų129135.3 Ų135.368%0.67581%0.808SS**  157.7132.2126.4-83170.3000114.9
434T33.2Very low34.5Very low135 Ų135135.4 Ų135.483%0.82881%0.813SS**  trans72147.3155.630.60000121.5
435P41.9Very low34.6Very low112 Ų112134.1 Ų134.173%0.72781%0.813SS**  trans-108163.8-16541.8-34.8000115.4
436P41.4Very low34.8Very low117 Ų117129 Ų12976%0.7680%0.804SS**PPolyproline II helixtrans-86.6162.6163.235.7-32.5000112.6
437P40.3Very low35.5Very low125 Ų125134.2 Ų134.281%0.81281%0.813SS**PPolyproline II helixtrans-81.1169.8-172.634.1-36.8000114.1
438A36.2Very low36.2Very low96 Ų96129.5 Ų129.579%0.79380%0.795SS**PPolyproline II helixtrans-79.4142.7178.100000112.7
439D33.9Very low37.2Very low163 Ų163134.6 Ų134.687%0.87281%0.806SS**  trans-125.2146.7159.2-92.6-49.9000110.3
440L40.1Very low38.4Very low169 Ų169137 Ų13789%0.88580%0.797SS**  trans-78.4157.6-170.6-71.2153.1000113.1
441P40.5Very low40.5Very low115 Ų115134 Ų13475%0.74778%0.777SS**  trans-120.9160.9135.935.3-29.5000113.4
442L31.7Very low41.9Very low178 Ų178136 Ų13693%0.93277%0.767SS**  trans-61.7150.5-166.4-76.572.2000114.8
443A35.6Very low43.7Very low98 Ų98132.2 Ų132.281%0.8176%0.759SS**  trans-92.6140.3174.700000113.1
444L33.1Very low46Very low168 Ų168130.2 Ų130.288%0.8875%0.748SS**  trans-147.6159.9145.8-94.7173.6000107.2
445P37.3Very low48.3Very low110 Ų110128.2 Ų128.271%0.71473%0.731SS**  -85.3122.7-124.629.6-37.7000115.9
446A36.6Very low50.1Low92 Ų92127.1 Ų127.176%0.7672%0.717SS**  trans-79.1118.5160.300000110.3G448A446-G448 PolarHBondContact O-N 2.92Å
447H43.1Very low52Low197 Ų197126.1 Ų126.191%0.91270%0.702SS**  trans-69.493.4171.7-100.8-91.2000111.3
448G44.8Very low54.1Low51 Ų51123.4 Ų123.453%0.52668%0.683SS.*  trans73.470146.900000117.6A446 W450A446-G448 PolarHBondContact O-N 2.92Å; G448-W450 VanDerWaalsContact C-N 3.29Å; G448-W450 PolarHBondContact O-N 3.08Å
449L50.9Low56.4Low174 Ų174124.3 Ų124.391%0.91167%0.674SS**  trans-68.389.5153.5-72.6173.5000109.5S451L449-S451 PolarHBondContact O-N 3.31Å; L449-S451 VanDerWaalsContact O-N 3.11Å
450W54.8Low58.9Low171 Ų171122 Ų12265%0.64866%0.659SS**  trans-62.7113.6168-77.355.7000108G448 R452 I454G448-W450 VanDerWaalsContact C-N 3.29Å; G448-W450 PolarHBondContact O-N 3.08Å; W450-R452 PolarHBondContact O-N 2.91Å; W450-I454 HydrophobicContact CE3-CB 4.49Å; W450-I454 HydrophobicContact CE3-CG2 3.58Å; W450-I454 HydrophobicContact CZ3-CG2 3.87Å
451S71.3Confident61.2Low63 Ų63118.1 Ų118.144%0.44164%0.64SS.*  trans-51.5138.2178.6175.30000110L449 H453 I454 L455L449-S451 PolarHBondContact O-N 3.31Å; L449-S451 VanDerWaalsContact O-N 3.11Å; S451-H453 PolarHBondContact O-N 3.23Å; S451-I454 WeakPolarHBondContact O-CA 3.27Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.45Å; S451-L455 PolarHBondContact O-N 3.43Å; S451-L455 VanDerWaalsContact O-N 3.15Å
452R73.1Confident63.4Low175 Ų175116.1 Ų116.166%0.6662%0.62SS**Hα-helixtrans-48.5-34.8-178-174.3-170.7173.3-68.1-2.9112.5W450 Q456W450-R452 PolarHBondContact O-N 2.91Å; R452-Q456 VanDerWaalsContact O-CB 3.27Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.46Å
453H66.3Low66.2Low139 Ų139109.5 Ų109.564%0.64460%0.595SS**Hα-helixtrans-68-41.1175.4-78.194.1000113.5S451 Q456 Q457S451-H453 PolarHBondContact O-N 3.23Å; H453-Q456 PolarHBondContact O-N 2.91Å; H453-Q457 WeakPolarHBondContact O-CB 3.48Å; H453-Q457 PolarHBondContact O-N 3.01Å
454I81.1Confident68.8Low87 Ų87108.9 Ų108.945%0.44658%0.577SS.*Hα-helixtrans-64.8-48178.1-58.5172.2000109.2W450 S451 Q456 Q457 T458W450-I454 HydrophobicContact CE3-CB 4.49Å; W450-I454 HydrophobicContact CE3-CG2 3.58Å; W450-I454 HydrophobicContact CZ3-CG2 3.87Å; S451-I454 WeakPolarHBondContact O-CA 3.27Å; S451-I454 WeakPolarHBondContact O-CB 3.36Å; S451-I454 PolarHBondContact O-N 3.45Å; I454-Q456 VanDerWaalsContact C-N 3.33Å; I454-Q456 PolarHBondContact O-N 3.48Å; I454-Q457 PolarHBondContact O-N 3.43Å; I454-T458 PolarHBondContact O-N 3.04Å; I454-T458 PolarHBondContact O-OG1 2.93Å
455L80.6Confident71.3Confident92 Ų92107.8 Ų107.848%0.48256%0.561SS.*Hα-helixtrans-62-40.9177.5-175.663000112.1S451 L459S451-L455 PolarHBondContact O-N 3.43Å; S451-L455 VanDerWaalsContact O-N 3.15Å; L455-L459 HydrophobicContact CD1-CD1 4.44Å; L455-L459 HydrophobicContact CG-CD1 4.18Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.45Å; L455-L459 PolarHBondContact O-N 3.41Å
456Q79.8Confident73.5Confident89 Ų89106.5 Ų106.542%0.41655%0.548SS..Hα-helixtrans-64.9-40.2176-173.2171.7-2200111.9R452 H453 I454 L459 M460R452-Q456 VanDerWaalsContact O-CB 3.27Å; R452-Q456 WeakPolarHBondContact O-CB 3.34Å; R452-Q456 PolarHBondContact O-N 3.46Å; H453-Q456 PolarHBondContact O-N 2.91Å; I454-Q456 VanDerWaalsContact C-N 3.33Å; I454-Q456 PolarHBondContact O-N 3.48Å; Q456-L459 PolarHBondContact O-N 3.46Å; Q456-M460 HydrophobicContact CG-SD 4.47Å; Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 3.21Å
457Q82.3Confident75.4Confident97 Ų97104.4 Ų104.445%0.45353%0.531SS..Hα-helixtrans-66.2-47.1175.5-170.864.847.800111.7H453 I454 L459 M460 D461H453-Q457 WeakPolarHBondContact O-CB 3.48Å; H453-Q457 PolarHBondContact O-N 3.01Å; I454-Q457 PolarHBondContact O-N 3.43Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.15Å; Q457-M460 PolarHBondContact O-N 2.97Å; Q457-M460 VanDerWaalsContact O-N 3.08Å; Q457-D461 PolarHBondContact NE2-OD1 3.39Å; Q457-D461 PolarHBondContact O-N 3.01Å
458T84.3Confident77.2Confident67 Ų67102.9 Ų102.941%0.41152%0.517SS..Hα-helixtrans-58.9-40.2176.9-55.90000111.7I454 E462I454-T458 PolarHBondContact O-N 3.04Å; I454-T458 PolarHBondContact O-OG1 2.93Å; T458-E462 WeakPolarHBondContact O-CB 3.18Å; T458-E462 PolarHBondContact O-N 3.4Å
459L83.6Confident78.5Confident116 Ų116106.2 Ų106.261%0.60752%0.522SS*.Hα-helixtrans-67.9-35.2175.2-72.5169.9000112.9L455 Q456 Q457 G463L455-L459 HydrophobicContact CD1-CD1 4.44Å; L455-L459 HydrophobicContact CG-CD1 4.18Å; L455-L459 WeakPolarHBondContact O-CB 3.46Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.45Å; L455-L459 PolarHBondContact O-N 3.41Å; Q456-L459 PolarHBondContact O-N 3.46Å; Q457-L459 VanDerWaalsContact C-N 3.29Å; Q457-L459 PolarHBondContact O-N 3.15Å; L459-G463 PolarHBondContact O-N 2.88Å
460M86.9Confident79.4Confident113 Ų113102 Ų10256%0.55750%0.504SS*.Hα-helixtrans-69.3-45.8175.1-76.7178.458.200112.1Q456 Q457 G463 L464Q456-M460 HydrophobicContact CG-SD 4.47Å; Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 3.21Å; Q457-M460 PolarHBondContact O-N 2.97Å; Q457-M460 VanDerWaalsContact O-N 3.08Å; M460-G463 PolarHBondContact O-N 2.72Å; M460-L464 WeakPolarHBondContact O-CB 3.26Å; M460-L464 PolarHBondContact O-N 2.79Å
461D87.4Confident79.6Confident89 Ų8997.3 Ų97.348%0.47650%0.497SS..Hα-helixtrans-66.1-41.3179.7-68.6-8.3000111.2Q457 L464 R465Q457-D461 PolarHBondContact NE2-OD1 3.39Å; Q457-D461 PolarHBondContact O-N 3.01Å; D461-L464 PolarHBondContact O-N 3.11Å; D461-R465 WeakPolarHBondContact O-CB 3.5Å; D461-R465 PolarHBondContact O-N 2.93Å
462E87.7Confident78.9Confident73 Ų73101.8 Ų101.834%0.34151%0.51SS..Hα-helixtrans-67.4-39.4174.9-174.362.6-172.800111.7T458 L464 R465 L466T458-E462 WeakPolarHBondContact O-CB 3.18Å; T458-E462 PolarHBondContact O-N 3.4Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 2.96Å; E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.22Å; E462-R465 IonicContact OE1-CZ 3.71Å; E462-R465 IonicContact OE1-NE 2.76Å; E462-R465 IonicContact OE1-NH2 2.68Å; E462-R465 PolarHBondContact OE1-NH2 3.26Å; E462-R465 IonicContact OE2-CZ 3.5Å; E462-R465 IonicContact OE2-NE 3.51Å; E462-R465 PolarHBondContact OE2-NE 3.34Å; E462-R465 IonicContact OE2-NH2 2.82Å; E462-R465 PolarHBondContact OE2-NH2 2.97Å; E462-L466 HydrophobicContact CG-CD1 4.27Å; E462-L466 WeakPolarHBondContact O-CB 3.34Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 2.91Å
463G90.6Very high77.7Confident38 Ų38100.4 Ų100.439%0.39252%0.516SS..Hα-helixtrans-59.5-41.8171.700000112.6L459 M460 A467L459-G463 PolarHBondContact O-N 2.88Å; M460-G463 PolarHBondContact O-N 2.72Å; G463-A467 WeakPolarHBondContact O-CB 3.39Å; G463-A467 PolarHBondContact O-N 3.32Å
464L88.9Confident76.9Confident86 Ų86103 Ų10345%0.4552%0.52SS..Hα-helixtrans-70.2-36.7176-171.162.9000112.2M460 D461 E462 A467 R468M460-L464 WeakPolarHBondContact O-CB 3.26Å; M460-L464 PolarHBondContact O-N 2.79Å; D461-L464 PolarHBondContact O-N 3.11Å; E462-L464 VanDerWaalsContact C-N 3.33Å; E462-L464 PolarHBondContact O-N 2.96Å; L464-A467 PolarHBondContact O-N 2.85Å; L464-R468 WeakPolarHBondContact O-CG 3.45Å; L464-R468 PolarHBondContact O-N 2.69Å
465R86Confident75.3Confident144 Ų144104.8 Ų104.854%0.54354%0.535SS..Hα-helixtrans-62.4-46.6173.8-167.3178.577.699.60.1111.3D461 E462 R468 L469D461-R465 WeakPolarHBondContact O-CB 3.5Å; D461-R465 PolarHBondContact O-N 2.93Å; E462-R465 WeakPolarHBondContact O-CB 3.3Å; E462-R465 PolarHBondContact O-N 3.22Å; E462-R465 IonicContact OE1-CZ 3.71Å; E462-R465 IonicContact OE1-NE 2.76Å; E462-R465 IonicContact OE1-NH2 2.68Å; E462-R465 PolarHBondContact OE1-NH2 3.26Å; E462-R465 IonicContact OE2-CZ 3.5Å; E462-R465 IonicContact OE2-NE 3.51Å; E462-R465 PolarHBondContact OE2-NE 3.34Å; E462-R465 IonicContact OE2-NH2 2.82Å; E462-R465 PolarHBondContact OE2-NH2 2.97Å; R465-R468 PolarHBondContact O-N 2.85Å; R465-L469 PolarHBondContact O-N 3.27Å
466L83.4Confident73.7Confident83 Ų83103.9 Ų103.944%0.43555%0.547SS..Hα-helixtrans-66.1-39.9175.9-68.9170.1000111.9E462 R468 L469 V470E462-L466 HydrophobicContact CG-CD1 4.27Å; E462-L466 WeakPolarHBondContact O-CB 3.34Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.34Å; E462-L466 PolarHBondContact O-N 2.91Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.09Å; L466-L469 PolarHBondContact O-N 2.98Å; L466-V470 WeakPolarHBondContact O-CG2 2.81Å; L466-V470 PolarHBondContact O-N 3.22Å
467A76.9Confident72.3Confident48 Ų48110.4 Ų110.440%0.39757%0.568SS.*Hα-helixtrans-61.4-41.1174.600000112.2G463 L464 S471G463-A467 WeakPolarHBondContact O-CB 3.39Å; G463-A467 PolarHBondContact O-N 3.32Å; L464-A467 PolarHBondContact O-N 2.85Å; A467-S471 VanDerWaalsContact O-CB 3.31Å; A467-S471 WeakPolarHBondContact O-CB 2.83Å; A467-S471 PolarHBondContact O-N 2.86Å; A467-S471 PolarHBondContact O-OG 3Å
468R80.9Confident70.2Confident166 Ų166113.5 Ų113.563%0.62659%0.587SS**Hα-helixtrans-62.9-43.5172.8-73.1169.5178.2160.40.1112L464 R465 L466 S471 H472L464-R468 WeakPolarHBondContact O-CG 3.45Å; L464-R468 PolarHBondContact O-N 2.69Å; R465-R468 PolarHBondContact O-N 2.85Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.09Å; R468-S471 PolarHBondContact O-N 3Å; R468-H472 PolarHBondContact O-N 3.41Å
469L71.1Confident67.9Low120 Ų120115.7 Ų115.763%0.62861%0.605SS**Hα-helixtrans-61.2-45.3177.5-156.273.3000111.9R465 L466 S471 H472 D473R465-L469 PolarHBondContact O-N 3.27Å; L466-L469 PolarHBondContact O-N 2.98Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.86Å; L469-H472 PolarHBondContact O-N 3.36Å; L469-D473 PolarHBondContact O-N 3.06Å
470V69.8Low65.9Low87 Ų87116.1 Ų116.153%0.52762%0.615SS.*Hα-helixtrans-70.8-24.9176.7173.10000112.7L466L466-V470 WeakPolarHBondContact O-CG2 2.81Å; L466-V470 PolarHBondContact O-N 3.22Å
471S60.5Low63.2Low71 Ų71117 Ų11750%0.49763%0.631SS.*Hα-helixtrans-77.8-35.8176.1-59.10000111.7A467 R468 L469 D473 R474A467-S471 VanDerWaalsContact O-CB 3.31Å; A467-S471 WeakPolarHBondContact O-CB 2.83Å; A467-S471 PolarHBondContact O-N 2.86Å; A467-S471 PolarHBondContact O-OG 3Å; R468-S471 PolarHBondContact O-N 3Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.86Å; S471-D473 VanDerWaalsContact C-N 3.29Å; S471-D473 PolarHBondContact O-N 2.84Å; S471-R474 PolarHBondContact O-N 3.21Å; S471-R474 VanDerWaalsContact O-N 3.13Å
472H55.5Low60.9Low158 Ų158119.3 Ų119.373%0.73165%0.647SS**Hα-helixtrans-64.9-33.3177.3-132.1-76.2000112.5R468 L469 R474 V475R468-H472 PolarHBondContact O-N 3.41Å; L469-H472 PolarHBondContact O-N 3.36Å; H472-R474 PolarHBondContact O-N 3.41Å; H472-V475 PolarHBondContact O-N 2.82Å
473D48.1Very low58.8Low145 Ų145121.2 Ų121.278%0.77567%0.666SS**THydrogen-bonded Turntrans-66.5-18.1175.5-147.4-111.4000113.2L469 S471L469-D473 PolarHBondContact O-N 3.06Å; S471-D473 VanDerWaalsContact C-N 3.29Å; S471-D473 PolarHBondContact O-N 2.84Å
474R50.3Low56Low195 Ų195124.1 Ų124.174%0.73669%0.687SS**THydrogen-bonded Turntrans-96.1-11.7-179.3-67.7179.4-179-106.6-1114.6S471 H472 G476S471-R474 PolarHBondContact O-N 3.21Å; S471-R474 VanDerWaalsContact O-N 3.13Å; H472-R474 PolarHBondContact O-N 3.41Å; R474-G476 VanDerWaalsContact C-N 3.32Å
475V47.6Very low53.1Low124 Ų124129.8 Ų129.875%0.75271%0.708SS**THydrogen-bonded Turntrans-84.3-7.3-179.4177.90000112.3H472H472-V475 PolarHBondContact O-N 2.82Å
476G46.8Very low50.9Low72 Ų72128.1 Ų128.174%0.74272%0.716SS**THydrogen-bonded Turntrans-81.5-6.9179.900000117.1R474R474-G476 VanDerWaalsContact C-N 3.32Å
477R50.4Low49.7Very low227 Ų227129.8 Ų129.886%0.85773%0.731SS**SBendtrans-154.452-169.9-147.5-173.3-150.6-84.90.9117.7
478L37.3Very low47.4Very low162 Ų162135.4 Ų135.485%0.84875%0.754SS**  trans-139.392.8162.8-72.9178.5000112
479S36.7Very low45.2Very low113 Ų113131.2 Ų131.279%0.7976%0.755SS**PPolyproline II helixtrans-72.7136.8159-59.50000109.4
480P41.1Very low43.3Very low124 Ų124133.9 Ų133.981%0.80576%0.764SS**PPolyproline II helixtrans-78.6124.7179.8-1127.6000112
481C31.1Very low41.4Very low132 Ų132137.8 Ų137.889%0.89277%0.774SS**PPolyproline II helixtrans-93.5125.1164.6-65.60000110
482V38.5Very low40.2Very low137 Ų137141.6 Ų141.683%0.8378%0.784SS**PPolyproline II helixtrans-87.3145179.5-177.50000110.2
483P42.4Very low39.1Very low113 Ų113142.4 Ų142.473%0.73479%0.788SS**PPolyproline II helixtrans-95.6145.1-17035.1-35.1000116.8
484A32.1Very low38.3Very low100 Ų100139.1 Ų139.183%0.82679%0.789SS**  trans68.7122.3142.700000123
485K29.3Very low37.4Very low205 Ų205137 Ų13789%0.89179%0.791SS**  trans-164.6139.9130.6-142.7175.2-176.4177.80113.6
486P39.9Very low36.7Very low109 Ų109138.5 Ų138.571%0.70879%0.794SS**  trans-119-170.316241.6-30.1000111.3
487P57.7Low36Very low118 Ų118141.2 Ų141.277%0.76679%0.792SS**  -126.4170.2-7039.4-25.1000113.5
488L28.3Very low35.1Very low165 Ų165140.8 Ų140.886%0.86479%0.79SS**  trans-148.2122.9163.5-90.9169.2000107.2
489A34Very low35.2Very low79 Ų79138.7 Ų138.765%0.65379%0.787SS**  67.4134.196.900000113.8
490E32.1Very low35.5Very low175 Ų175139.3 Ų139.382%0.81879%0.789SS**  cis-165.9-172.63.5-118.117515500110
491F30.1Very low35.2Very low169 Ų169137.6 Ų137.674%0.74179%0.785SS**  trans74.6110.1177.2-84.4-105.4000117.4
492E34.9Very low36.3Very low152 Ų152137.6 Ų137.671%0.7178%0.784SS**  76.814182.6-72-147.811600113.1
493E31.4Very low35.9Very low175 Ų175134.7 Ų134.782%0.81878%0.781SS**  cis-156.5147.519.7-159.3-175.8151.600111.9
494G31.3Very low36Very low76 Ų76135.6 Ų135.678%0.78479%0.787SS**  trans69.1163.2159.800000120
495L32.5Very low36.1Very low151 Ų151139.4 Ų139.479%0.79179%0.787SS**  cis-167.9125.5-16.4177.164.1000109.8
496L33.8Very low37Very low154 Ų154135.3 Ų135.381%0.80678%0.781SS**  trans59.7172.2166.1-60.9165.8000118.8
497D31.4Very low36.8Very low129 Ų129134 Ų13469%0.6978%0.78SS**  -159.1126.1-56.7-172.336000108.1
498R32.2Very low35.5Very low219 Ų219136.5 Ų136.583%0.82679%0.786SS**  trans36.9127144.1-156.4179.6-160.7-179.84.8121.9
499C37.6Very low35.9Very low117 Ų117134.5 Ų134.579%0.79178%0.78SS**  trans-57.8158.7162.8-430000113
500P43.4Very low36Very low127 Ų127140 Ų14083%0.82579%0.792SS**  -151.5179.49838.2-20000116.1
501A34.4Very low36Very low88 Ų88135.1 Ų135.173%0.72779%0.79SS**  trans-108.7-170.8167.400000110
502P54.7Low36.2Very low132 Ų132138.9 Ų138.986%0.85780%0.799SS**  cis-134.4178.2-20.837.4-19.3000115.5
503G29.9Very low36.3Very low75 Ų75143.1 Ų143.177%0.77381%0.808SS**  trans103170.1160.900000116.6
504P45.3Very low36.4Very low132 Ų132140.6 Ų140.686%0.85781%0.81SS**  cis-127.9-171.6-10.541.2-23.8000114.9
505H34.7Very low36.7Very low180 Ų180142.8 Ų142.883%0.83381%0.814SS**  trans-68161.9170.8-95-67000113.3
506P48.1Very low36.8Very low119 Ų119142 Ų14277%0.77382%0.815SS**  -157.8178.35944.1-22.1000121.1
507A34.2Very low36.9Very low82 Ų82144.1 Ų144.168%0.67882%0.818SS**  trans82.2116.2143.200000125.2
508L32.2Very low37.1Very low171 Ų171143 Ų14390%0.89582%0.815SS**  88.5154.9128.5-81.7168.2000124.6
509V35.8Very low37.3Very low122 Ų122141.2 Ų141.274%0.73982%0.816SS**  trans90.381.2172.6-164.60000118.7
510E35Very low37.3Very low194 Ų194140.4 Ų140.491%0.90782%0.818SS**  44.4125.9112.1-148.1161.9-142.600121.1
511G32.1Very low37.3Very low74 Ų74143.5 Ų143.576%0.76382%0.821SS**  trans-172.439.5-175.600000119.9
512R34.4Very low37.9Very low248 Ų248144 Ų14494%0.93683%0.825SS**  trans46.4130.7155.3-151.3174.9-170.5-169.82.8121.9
513R38.7Very low37.8Very low240 Ų240142.5 Ų142.591%0.90682%0.818SS**  trans-79.2150.5174-56.7172.2173.7-156.4-2.3113.9
514S33.5Very low38.9Very low122 Ų122148.9 Ų148.985%0.85382%0.819SS**  trans-159.3119.6133.2550000111.6
515S35.9Very low38.8Very low123 Ų123154.9 Ų154.986%0.8684%0.835SS**  trans-131.8119.7165-176.60000106.8
516V35.1Very low39Very low135 Ų135153.6 Ų153.682%0.81884%0.835SS**  trans-84.7124.1-177.9174.50000108.3
517K37.1Very low38.5Very low198 Ų198155.4 Ų155.486%0.86184%0.839SS**  trans-108.8133.5169.4-172.2177.8175.8-173.50109.5
518V34.5Very low38.8Very low104 Ų104159.5 Ų159.563%0.6385%0.847SS**  trans-85.5160.3-179.3162.80000111.4
519E35.9Very low39.2Very low183 Ų183158.8 Ų158.886%0.85585%0.845SS**  trans67.9122168-83.7168.3112.100119.4
520A38.4Very low39.4Very low100 Ų100161.1 Ų161.183%0.82685%0.851SS**  -158.6126.388.700000111.2
521E43.4Very low39.7Very low191 Ų191158.9 Ų158.989%0.89385%0.848SS**  trans-84.6125.6169.3-174.8179.412900109.1
522A47.4Very low40.2Very low99 Ų99165 Ų16582%0.81885%0.854SS**  trans-138.1100.7175.900000110.3
523S52.9Low40.6Very low100 Ų100158.6 Ų158.670%0.69985%0.847SS**  trans-80.6129.1177.5-170.30000111.1
524R51.7Low40.8Very low209 Ų209151.8 Ų151.879%0.78984%0.842SS**  155.8136126.1-85.5164-177.4-98.9-3.1114.4
525Q43.9Very low41.5Very low258 Ų258154.5 Ų154.5100%1.20684%0.841SS**  trans69.10153.7-68.9178-41.100118.2

Retrieved 525 of 525 residues in 81.7 ms (Link to these results)