A0A087WQD9_MOUSE Loading...

Nuclear envelope integral membrane protein 2

AlphaFold DB , UniProt , Accession A0A087WQD9, Species MOUSE (Mus musculus, Mouse), Gene Nemp2, Length 235 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
1M39.4Very low45.8Very low240 Ų240177.7 Ų177.7100%1.18282%0.823SS**  089.60-70.7175.6167.200108.4
2L46.4Very low45.5Very low175 Ų175175.2 Ų175.292%0.91682%0.818SS**  trans-142.890.2-176.9-135.384.2000108.5
3P48.2Very low44.8Very low107 Ų107175.4 Ų175.470%0.69582%0.819SS**  trans-129.614.3174.536.3-19.5000115.1
4R49.1Very low44.4Very low233 Ų233170.2 Ų170.288%0.87981%0.809SS**SBendtrans-101-4.4-177.2-102.3-175.7-153.3-133.63.9116.6
5L52.7Low43.7Very low139 Ų139170.8 Ų170.873%0.72882%0.817SS**SBendtrans-95.6-10-177.9-137.376.4000113.8
6W43.5Very low43.3Very low214 Ų214164.9 Ų164.981%0.81181%0.805SS**SBendtrans-83.4-19.9-172.2-143.919.7000114.1
7W43.1Very low42.9Very low225 Ų225162.6 Ų162.685%0.85280%0.804SS**THydrogen-bonded Turntrans-74.9-23.2178.7-75.465000113.4
8L44.2Very low42.1Very low123 Ų123163.1 Ų163.164%0.64481%0.809SS**THydrogen-bonded Turntrans-79.6-18.6179.1-74.8162.3000113.1
9V48.8Very low41.5Very low100 Ų100160.6 Ų160.661%0.60681%0.806SS**THydrogen-bonded Turntrans-83.6-22.1179.4-178.50000111.5W11V9-W11 VanDerWaalsContact C-N 3.28Å; V9-W11 PolarHBondContact O-N 3.08Å
10L45.7Very low41.2Very low157 Ų157158.1 Ų158.182%0.82281%0.811SS**THydrogen-bonded Turntrans-75.6-13.3-179.8-135.186.7000113.9
11W42.2Very low40.4Very low242 Ų242156.2 Ų156.292%0.91781%0.812SS**THydrogen-bonded Turntrans-101.80.2179.9-108.4-1.5000114.9V9V9-W11 VanDerWaalsContact C-N 3.28Å; V9-W11 PolarHBondContact O-N 3.08Å
12L42.4Very low39.8Very low147 Ų147148.8 Ų148.877%0.7779%0.789SS**  trans-117.574.7171.1-82.696.2000110.5
13Q36.4Very low39Very low178 Ų178146.4 Ų146.483%0.83278%0.781SS**  trans-117.4129148.1-80.2-116.9-80.800108.8
14P38.9Very low37.8Very low103 Ų103149.2 Ų149.267%0.66979%0.785SS**  trans-72.7135.8-172.4-8.525.5000110.4A16P14-A16 HydrophobicContact CB-CB 4.17Å; P14-A16 PolarHBondContact O-N 2.75Å
15L34.8Very low37Very low179 Ų179145.3 Ų145.394%0.93778%0.781SS**  trans-69.870.3159.8-167.670.4000108.5
16A37.4Very low35.9Very low76 Ų76147.3 Ų147.363%0.62879%0.787SS**  trans-108.375.6171.900000107.9P14P14-A16 HydrophobicContact CB-CB 4.17Å; P14-A16 PolarHBondContact O-N 2.75Å
17T36.1Very low35.4Very low126 Ų126145.3 Ų145.377%0.77379%0.787SS**  trans-164.382.5159.635.40000109.1
18L29Very low34.6Very low172 Ų172139.4 Ų139.490%0.90179%0.785SS**  trans-107.5120.6155.3-98.7152.5000106.5
19P31.1Very low34.1Very low116 Ų116138 Ų13875%0.75379%0.791SS**  trans-72.9140.1-178.629.9-31.1000109.9S21P19-S21 PolarHBondContact O-N 2.95Å
20A34Very low33Very low109 Ų109140.8 Ų140.890%0.90180%0.8SS**  trans-61.2116.5164.400000109.1
21S25.7Very low32.4Very low120 Ų120138.8 Ų138.884%0.83980%0.799SS**  trans-120.5115.4160.1-163.90000107.6P19P19-S21 PolarHBondContact O-N 2.95Å
22A26.7Very low32.1Very low84 Ų84133 Ų13369%0.69479%0.79SS**  trans-84.8160.5177.400000111
23V29Very low32.2Very low125 Ų125130.1 Ų130.176%0.75878%0.781SS**  trans77107.7157.9-167.20000116.8
24H23.9Very low32.9Very low166 Ų166133.8 Ų133.877%0.76979%0.787SS**  -163.7115.898.4-128.8-56.4000110.6
25D32.3Very low33.7Very low151 Ų151130.7 Ų130.781%0.80777%0.767SS**  trans-63.2129.9153.9-74.4-63.7000108.2
26E28.2Very low35Very low181 Ų181126.8 Ų126.885%0.84674%0.743SS**  trans-156.1116.9143.9-117.2-173.9131.700110.4A28E26-A28 PolarHBondContact O-N 2.84Å
27E34.4Very low35.9Very low172 Ų172126.6 Ų126.680%0.80474%0.737SS**  trans-12.4113.5160-109.789.2166.300117.1A29E27-A29 HydrophobicContact CG-CB 4.31Å
28A25.9Very low36.9Very low100 Ų100120.8 Ų120.883%0.82670%0.701SS**  trans-109.382.6138.700000107.6E26 M30E26-A28 PolarHBondContact O-N 2.84Å; A28-M30 PolarHBondContact O-N 2.87Å
29A33Very low38.1Very low93 Ų93119.1 Ų119.177%0.76969%0.686SS**  trans-62.695.5169.900000109.7E27E27-A29 HydrophobicContact CG-CB 4.31Å
30M26.9Very low38.8Very low159 Ų159115.6 Ų115.678%0.78366%0.66SS**  trans-131.185.5161.3-136178.3-68.500107.7A28 V32A28-M30 PolarHBondContact O-N 2.87Å; M30-V32 PolarHBondContact O-N 3.21Å
31S31.5Very low39.2Very low116 Ų116115.8 Ų115.881%0.81165%0.65SS**  trans13.673.6162.859.60000115.7P33S31-P33 WeakPolarHBondContact O-CD 3.42Å
32V36.5Very low40Very low120 Ų120112.9 Ų112.973%0.72763%0.625SS**  trans-72119.4166.4-179.20000106.2M30 R34M30-V32 PolarHBondContact O-N 3.21Å; V32-R34 PolarHBondContact O-N 3.33Å
33P44.2Very low40.6Very low87 Ų87114.1 Ų114.157%0.56562%0.619SS**  trans-54.9137.9172.821.2-29.4000108.3S31 C35S31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-C35 VanDerWaalsContact C-N 3.27Å; P33-C35 PolarHBondContact O-N 2.91Å; P33-C35 PolarHBondContact O-SG 3.43Å
34R50.9Low41.7Very low254 Ų254110 Ų11096%0.95859%0.593SS**  trans-58.988.2179.9-72.9-174.4-178.8170.10.2109.9V32V32-R34 PolarHBondContact O-N 3.33Å
35C55.8Low42.5Very low39 Ų39109.3 Ų109.326%0.26459%0.588SS.*PPolyproline II helixtrans-70.4133.7-179-61.10000109.5P33 C51 C53P33-C35 VanDerWaalsContact C-N 3.27Å; P33-C35 PolarHBondContact O-N 2.91Å; P33-C35 PolarHBondContact O-SG 3.43Å; C35-C51 CarbonylContact C-O 3.56Å; C35-C51 VanDerWaalsContact CA-O 3.3Å; C35-C51 WeakPolarHBondContact CA-O 3.39Å; C35-C51 HydrophobicContact CB-CB 3.74Å; C35-C51 WeakPolarHBondContact CB-SG 3.21Å; C35-C51 WeakPolarHBondContact SG-CB 3.07Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 3.03Å; C35-C53 HydrophobicContact CB-CB 4.39Å; C35-C53 VanDerWaalsContact CB-SG 3.52Å
36K63.2Low43.2Very low97 Ų97103.2 Ų103.242%0.42256%0.556SS.*EExtended strand (participates in β ladder)trans-77133.4178.2-68.2175.4-179.1166.70109.1D50 C51 Y52 C53K36-D50 IonicContact NZ-OD2 2.72Å; K36-D50 PolarHBondContact NZ-OD2 2.68Å; K36-C51 PolarHBondContact N-O 2.76Å; K36-Y52 HydrophobicContact CB-CD1 3.91Å; K36-Y52 HydrophobicContact CB-CE1 4.04Å; K36-Y52 HydrophobicContact CD-CE1 4.16Å; K36-Y52 WeakPolarHBondContact O-CA 3.31Å; K36-C53 PolarHBondContact O-N 3.3Å
37S54.9Low43.9Very low72 Ų7297.3 Ų97.350%0.50354%0.535SS..EExtended strand (participates in β ladder)trans-77.6127.1176.2-1660000109.8C53 N55S37-C53 CarbonylContact C-O 3.51Å; S37-C53 VanDerWaalsContact CA-O 3.26Å; S37-C53 WeakPolarHBondContact CA-O 3.39Å; S37-N55 PolarHBondContact OG-ND2 3.07Å
38L58.3Low44.5Very low4 Ų492.6 Ų92.62%0.02152%0.517CS..EExtended strand (participates in β ladder)trans-89.3125.6174.8-71175.1000109.8I44 Y52 C53 Y54 F129L38-I44 HydrophobicContact CD2-CD1 3.39Å; L38-I44 HydrophobicContact CD2-CG1 4.35Å; L38-Y52 HydrophobicContact CD1-CD1 4.27Å; L38-Y52 HydrophobicContact CD1-CG 4.13Å; L38-Y52 HydrophobicContact CD2-CD1 3.53Å; L38-Y52 HydrophobicContact CD2-CE1 4.12Å; L38-Y52 HydrophobicContact CD2-CG 4.2Å; L38-Y52 HydrophobicContact CG-CD1 3.83Å; L38-Y52 HydrophobicContact CG-CG 4.16Å; L38-C53 PolarHBondContact N-O 3.22Å; L38-Y54 HydrophobicContact CB-CD2 4.22Å; L38-Y54 WeakPolarHBondContact O-CD2 3.3Å; L38-F129 HydrophobicContact CD1-CE1 3.73Å; L38-F129 HydrophobicContact CD1-CE2 4.45Å; L38-F129 HydrophobicContact CD1-CZ 3.4Å
39K53.9Low45.6Very low136 Ų13691.2 Ų91.259%0.59150%0.502SS*.PPolyproline II helixtrans-98.7152.9171-152.3176.6178.6-179.20110.1T41 D42K39-T41 PolarHBondContact O-N 3.14Å; K39-D42 WeakPolarHBondContact CA-OD2 3.4Å; K39-D42 WeakPolarHBondContact CB-OD2 3.44Å; K39-D42 PolarHBondContact N-OD2 3.49Å; K39-D42 WeakPolarHBondContact O-CB 3.07Å; K39-D42 PolarHBondContact O-N 3.45Å
40E45.1Very low46.6Very low43 Ų4388.8 Ų88.820%0.20148%0.475CS..THydrogen-bonded Turntrans-60.3133.5175.8-170.6160.6-14400110.8R146E40-R146 WeakPolarHBondContact OE1-CD 3.29Å; E40-R146 VanDerWaalsContact OE1-CG 3.23Å; E40-R146 WeakPolarHBondContact OE1-CG 3.19Å; E40-R146 IonicContact OE1-CZ 2.8Å; E40-R146 IonicContact OE1-NE 2.96Å; E40-R146 PolarHBondContact OE1-NE 2.97Å; E40-R146 IonicContact OE1-NH1 2.97Å; E40-R146 PolarHBondContact OE1-NH1 3.45Å; E40-R146 IonicContact OE1-NH2 3.34Å; E40-R146 PolarHBondContact OE1-NH2 3.45Å; E40-R146 IonicContact OE2-CZ 3.25Å; E40-R146 VanDerWaalsContact OE2-CZ 3.25Å; E40-R146 IonicContact OE2-NH1 2.65Å; E40-R146 PolarHBondContact OE2-NH1 3.46Å; E40-R146 IonicContact OE2-NH2 3.58Å
41T43.8Very low48Very low112 Ų11281.9 Ų81.969%0.68744%0.443SS*.THydrogen-bonded Turntrans74.55-171.671.70000117.7K39 L43K39-T41 PolarHBondContact O-N 3.14Å; T41-L43 PolarHBondContact O-N 3.5Å
42D42.8Very low49.5Very low60 Ų6076.3 Ų76.332%0.32140%0.404SS..  trans-71.8132.7176.3-73.2-21.4000111.9K39 I44K39-D42 WeakPolarHBondContact CA-OD2 3.4Å; K39-D42 WeakPolarHBondContact CB-OD2 3.44Å; K39-D42 PolarHBondContact N-OD2 3.49Å; K39-D42 WeakPolarHBondContact O-CB 3.07Å; K39-D42 PolarHBondContact O-N 3.45Å; D42-I44 HydrophobicContact CB-CG1 4.22Å
43L38.9Very low50.4Low110 Ų11071.6 Ų71.658%0.57638%0.376SS*.EExtended strand (participates in β ladder)trans-109.898.8171.5-165.2150.2000108T41 K45 I141 V142T41-L43 PolarHBondContact O-N 3.5Å; L43-K45 HydrophobicContact CD2-CG 3.97Å; L43-I141 HydrophobicContact CD2-CG2 3.83Å; L43-I141 HydrophobicContact CG-CG2 4.04Å; L43-V142 WeakPolarHBondContact CA-O 3.35Å
44I52.1Low51.2Low38 Ų3869.3 Ų69.320%0.19536%0.356CS..EExtended strand (participates in β ladder)trans-101.7117.3-176.7-54.2-173.8000108.8L38 D42 Y52 V142L38-I44 HydrophobicContact CD2-CD1 3.39Å; L38-I44 HydrophobicContact CD2-CG1 4.35Å; D42-I44 HydrophobicContact CB-CG1 4.22Å; I44-Y52 HydrophobicContact CD1-CD1 4.47Å; I44-Y52 HydrophobicContact CD1-CE1 3.95Å; I44-Y52 HydrophobicContact CG2-CE1 4.27Å; I44-V142 PolarHBondContact N-O 3.47Å; I44-V142 PolarHBondContact O-N 3.19Å
45K40.1Very low51.2Low152 Ų15261.6 Ų61.666%0.66133%0.334SS*.EExtended strand (participates in β ladder)trans-96.1112.9170.5-63.6-174.6178.9176.10108.4L43 I141L43-K45 HydrophobicContact CD2-CG 3.97Å; K45-I141 HydrophobicContact CG-CG1 4.29Å
46T48Very low51.1Low22 Ų2262.8 Ų62.814%0.13534%0.336CS..EExtended strand (participates in β ladder)trans-135150.3177.4-91.20000109.6V48 Y52 Y140T46-V48 HydrophobicContact CG2-CB 4.28Å; T46-V48 VanDerWaalsContact CG2-N 3.28Å; T46-V48 WeakPolarHBondContact CG2-O 3.37Å; T46-Y52 PolarHBondContact OG1-OH 3.02Å; T46-Y140 HydrophobicContact CG2-CE1 3.86Å; T46-Y140 HydrophobicContact CG2-CE2 4.47Å; T46-Y140 WeakPolarHBondContact CG2-OH 3.38Å; T46-Y140 PolarHBondContact N-O 3.36Å; T46-Y140 WeakPolarHBondContact O-CD1 3.38Å; T46-Y140 VanDerWaalsContact O-CE1 3.31Å; T46-Y140 WeakPolarHBondContact O-CE1 3.46Å; T46-Y140 PolarHBondContact O-N 3.37Å
47S42.7Very low50.3Low58 Ų5865.5 Ų65.541%0.40635%0.35SS..SBendtrans-116.912.5177.959.20000112.9L137S47-L137 WeakPolarHBondContact O-CD2 3.3Å
48V45.8Very low49.9Very low73 Ų7367.7 Ų67.744%0.44237%0.365SS..SBendtrans-127.9149.8-174.3-175.90000109.9T46 D50 Y140T46-V48 HydrophobicContact CG2-CB 4.28Å; T46-V48 VanDerWaalsContact CG2-N 3.28Å; T46-V48 WeakPolarHBondContact CG2-O 3.37Å; V48-D50 PolarHBondContact O-N 2.72Å; V48-Y140 WeakPolarHBondContact O-CE1 3.28Å; V48-Y140 PolarHBondContact O-OH 2.92Å
49S49Very low49.1Very low71 Ų7174.3 Ų74.350%0.49740%0.396SS..  trans-65.6102.3171.855.70000110.4
50D54Low48.8Very low41 Ų4174.3 Ų74.322%0.21940%0.401CS..  trans-116148.6178.8-87-29.1000110.3K36 V48 Y52K36-D50 IonicContact NZ-OD2 2.72Å; K36-D50 PolarHBondContact NZ-OD2 2.68Å; V48-D50 PolarHBondContact O-N 2.72Å; D50-Y52 HydrophobicContact CB-CD2 4.44Å; D50-Y52 HydrophobicContact CB-CE2 3.68Å
51C56.8Low49.1Very low14 Ų1476.9 Ų76.910%0.09541%0.413CS..EExtended strand (participates in β ladder)trans-88.2134172.2176.80000109.6C35 K36C35-C51 CarbonylContact C-O 3.56Å; C35-C51 VanDerWaalsContact CA-O 3.3Å; C35-C51 WeakPolarHBondContact CA-O 3.39Å; C35-C51 HydrophobicContact CB-CB 3.74Å; C35-C51 WeakPolarHBondContact CB-SG 3.21Å; C35-C51 WeakPolarHBondContact SG-CB 3.07Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 3.03Å; K36-C51 PolarHBondContact N-O 2.76Å
52Y63.1Low49.2Very low0 Ų081.9 Ų81.90%042%0.419CS..EExtended strand (participates in β ladder)trans-125.7132-180-66.1-80.9000111K36 L38 I44 T46 D50 C128 F129K36-Y52 HydrophobicContact CB-CD1 3.91Å; K36-Y52 HydrophobicContact CB-CE1 4.04Å; K36-Y52 HydrophobicContact CD-CE1 4.16Å; K36-Y52 WeakPolarHBondContact O-CA 3.31Å; L38-Y52 HydrophobicContact CD1-CD1 4.27Å; L38-Y52 HydrophobicContact CD1-CG 4.13Å; L38-Y52 HydrophobicContact CD2-CD1 3.53Å; L38-Y52 HydrophobicContact CD2-CE1 4.12Å; L38-Y52 HydrophobicContact CD2-CG 4.2Å; L38-Y52 HydrophobicContact CG-CD1 3.83Å; L38-Y52 HydrophobicContact CG-CG 4.16Å; I44-Y52 HydrophobicContact CD1-CD1 4.47Å; I44-Y52 HydrophobicContact CD1-CE1 3.95Å; I44-Y52 HydrophobicContact CG2-CE1 4.27Å; T46-Y52 PolarHBondContact OG1-OH 3.02Å; D50-Y52 HydrophobicContact CB-CD2 4.44Å; D50-Y52 HydrophobicContact CB-CE2 3.68Å; Y52-C128 WeakPolarHBondContact O-CA 3.05Å; Y52-F129 HydrophobicContact CD2-CE2 4.49Å; Y52-F129 PolarHBondContact N-O 2.83Å; Y52-F129 PolarHBondContact O-N 3.34Å
53C55.8Low49.5Very low20 Ų2083.1 Ų83.114%0.13543%0.429CS..EExtended strand (participates in β ladder)trans-121.2125.1178.1-70.80000110.1C35 K36 S37 L38 C128C35-C53 HydrophobicContact CB-CB 4.39Å; C35-C53 VanDerWaalsContact CB-SG 3.52Å; K36-C53 PolarHBondContact O-N 3.3Å; S37-C53 CarbonylContact C-O 3.51Å; S37-C53 VanDerWaalsContact CA-O 3.26Å; S37-C53 WeakPolarHBondContact CA-O 3.39Å; L38-C53 PolarHBondContact N-O 3.22Å; C53-C128 HydrophobicContact CB-CB 4.24Å; C53-C128 WeakPolarHBondContact CB-SG 3.31Å; C53-C128 WeakPolarHBondContact SG-CB 3.33Å; C53-C128 CovalentContact SG-SG 2.06Å; C53-C128 PolarHBondContact SG-SG 2.94Å
54Y59.3Low50Low40 Ų4080.8 Ų80.816%0.15741%0.413CS..EExtended strand (participates in β ladder)trans-91.5108.6175-175.1-105.8000109.4L38 Q56 V127L38-Y54 HydrophobicContact CB-CD2 4.22Å; L38-Y54 WeakPolarHBondContact O-CD2 3.3Å; Y54-Q56 HydrophobicContact CD1-CG 3.95Å; Y54-Q56 HydrophobicContact CE1-CG 3.84Å; Y54-V127 PolarHBondContact N-O 3.38Å
55N52.3Low49.9Very low92 Ų9284.1 Ų84.149%0.49243%0.429SS..  trans-86.1113.2174.1-83.6-45.9000108.8S37S37-N55 PolarHBondContact OG-ND2 3.07Å
56Q54.2Low50.1Low63 Ų6381.5 Ų81.529%0.29442%0.415SS..  trans-70.2133177.9-67.9173.12500110Y54 S58 P122 G124Y54-Q56 HydrophobicContact CD1-CG 3.95Å; Y54-Q56 HydrophobicContact CE1-CG 3.84Å; Q56-S58 PolarHBondContact O-N 3.38Å; Q56-P122 PolarHBondContact OE1-O 2.87Å; Q56-G124 VanDerWaalsContact CD-O 3.23Å; Q56-G124 PolarHBondContact NE2-O 3.43Å; Q56-G124 PolarHBondContact OE1-O 3.45Å
57H46.2Very low49.7Very low155 Ų15580.8 Ų80.872%0.71841%0.411SS*.  trans-68.4127.1172-100-91.5000109.9Q59H57-Q59 PolarHBondContact O-N 3.46Å; H57-Q59 VanDerWaalsContact O-N 3.11Å
58S44.8Very low49.8Very low117 Ų11778.8 Ų78.882%0.81840%0.397SS*.SBendtrans-69.7-0.9-179.754.80000114.9Q56Q56-S58 PolarHBondContact O-N 3.38Å
59Q42.5Very low49.9Very low144 Ų14475.5 Ų75.567%0.67338%0.376SS*.  trans-97.6107.5-178.1-67.2-139.15.700111.6H57 Q61H57-Q59 PolarHBondContact O-N 3.46Å; H57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-Q61 PolarHBondContact O-N 3.47Å; Q59-Q61 VanDerWaalsContact O-N 3.12Å
60I46.8Very low49.5Very low136 Ų13674.8 Ų74.870%0.69737%0.365SS*.  trans-75.695.6174.8-54.4165.7000108.2
61Q52.9Low49Very low97 Ų9773 Ų7345%0.45336%0.356SS..  trans-82.7137.6160.9-60.3177.9-31.300108.8Q59 T63 Y64Q59-Q61 PolarHBondContact O-N 3.47Å; Q59-Q61 VanDerWaalsContact O-N 3.12Å; Q61-T63 PolarHBondContact O-N 3Å; Q61-T63 VanDerWaalsContact O-N 3.07Å; Q61-Y64 HydrophobicContact CB-CD2 3.6Å; Q61-Y64 HydrophobicContact CB-CE2 3.43Å; Q61-Y64 VanDerWaalsContact CB-CE2 3.43Å; Q61-Y64 HydrophobicContact CB-CG 4.37Å; Q61-Y64 HydrophobicContact CG-CD2 4.31Å; Q61-Y64 HydrophobicContact CG-CE2 3.71Å; Q61-Y64 VanDerWaalsContact O-CB 3.31Å; Q61-Y64 WeakPolarHBondContact O-CB 3.48Å; Q61-Y64 WeakPolarHBondContact O-CD2 3.2Å; Q61-Y64 PolarHBondContact O-N 3.23Å; Q61-Y64 VanDerWaalsContact OE1-CE2 3.27Å; Q61-Y64 PolarHBondContact OE1-OH 2.91Å
62W45.4Very low48.1Very low216 Ų21673.2 Ų73.282%0.81836%0.357SS*.G310 helixtrans-55.2-27.6-178.8-74.791.2000113.8Y64 M65W62-Y64 PolarHBondContact O-N 3.03Å; W62-Y64 VanDerWaalsContact O-N 3.17Å; W62-M65 PolarHBondContact O-N 2.92Å
63T49.6Very low47.2Very low87 Ų8773.2 Ų73.253%0.53436%0.357SS..G310 helixtrans-62.3-16.8174.548.10000113.3Q61 S67Q61-T63 PolarHBondContact O-N 3Å; Q61-T63 VanDerWaalsContact O-N 3.07Å; T63-S67 PolarHBondContact O-OG 2.92Å
64Y48.3Very low46.2Very low60 Ų6075.2 Ų75.224%0.23537%0.369CS..G310 helixtrans-93.8-6.3-176.8-54.9-35.4000114.7Q61 W62 W66 Y123 R146Q61-Y64 HydrophobicContact CB-CD2 3.6Å; Q61-Y64 HydrophobicContact CB-CE2 3.43Å; Q61-Y64 VanDerWaalsContact CB-CE2 3.43Å; Q61-Y64 HydrophobicContact CB-CG 4.37Å; Q61-Y64 HydrophobicContact CG-CD2 4.31Å; Q61-Y64 HydrophobicContact CG-CE2 3.71Å; Q61-Y64 VanDerWaalsContact O-CB 3.31Å; Q61-Y64 WeakPolarHBondContact O-CB 3.48Å; Q61-Y64 WeakPolarHBondContact O-CD2 3.2Å; Q61-Y64 PolarHBondContact O-N 3.23Å; Q61-Y64 VanDerWaalsContact OE1-CE2 3.27Å; Q61-Y64 PolarHBondContact OE1-OH 2.91Å; W62-Y64 PolarHBondContact O-N 3.03Å; W62-Y64 VanDerWaalsContact O-N 3.17Å; Y64-W66 PolarHBondContact O-N 2.9Å; Y64-Y123 PolarHBondContact O-OH 2.83Å; Y64-R146 VanDerWaalsContact CD1-CZ 3.43Å
65M49.4Very low45Very low109 Ų10974 Ų7454%0.53737%0.366SS..THydrogen-bonded Turntrans-64.7-21.2177.6-133.5-175.7-17000112.6W62W62-M65 PolarHBondContact O-N 2.92Å
66W45.6Very low44.1Very low97 Ų9774.4 Ų74.437%0.36737%0.373SS..THydrogen-bonded Turntrans-1217.1-172.2-47.8102000114.2Y64 D150 L153 F157Y64-W66 PolarHBondContact O-N 2.9Å; W66-D150 PolarHBondContact O-N 3.36Å; W66-D150 VanDerWaalsContact O-N 3.09Å; W66-L153 HydrophobicContact CE3-CD2 3.79Å; W66-L153 HydrophobicContact CE3-CG 3.9Å; W66-L153 HydrophobicContact CZ3-CD2 4.45Å; W66-L153 HydrophobicContact CZ3-CG 4.26Å; W66-F157 HydrophobicContact CH2-CB 4.37Å; W66-F157 AromaticContact CH2-CD2 3.52Å; W66-F157 HydrophobicContact CH2-CD2 3.52Å; W66-F157 AromaticContact CH2-CE2 3.85Å; W66-F157 HydrophobicContact CH2-CE2 3.85Å; W66-F157 AromaticContact CH2-CG 3.92Å; W66-F157 HydrophobicContact CH2-CG 3.92Å; W66-F157 HydrophobicContact CH2-CZ 4.48Å; W66-F157 HydrophobicContact CZ2-CD2 4.49Å; W66-F157 HydrophobicContact CZ2-CE2 4.46Å; W66-F157 HydrophobicContact CZ3-CB 4.06Å; W66-F157 HydrophobicContact CZ3-CD2 4.03Å; W66-F157 HydrophobicContact CZ3-CG 4.11Å
67S39.8Very low43.2Very low6 Ų672.5 Ų72.54%0.04237%0.371CS..  trans-98.1145.3-177.4-56.30000110.9T63 P122 N147 I148T63-S67 PolarHBondContact O-OG 2.92Å; S67-P122 VanDerWaalsContact O-CG 3.31Å; S67-P122 WeakPolarHBondContact O-CG 2.93Å; S67-N147 WeakPolarHBondContact CA-O 3.4Å; S67-I148 PolarHBondContact OG-O 2.72Å
68T44.5Very low42.6Very low17 Ų1769.6 Ų69.610%0.10436%0.36CS..EExtended strand (participates in β ladder)trans-116.5131.3171.5-60.20000108Q70 V119 N147 D150T68-Q70 HydrophobicContact CG2-CG 4.41Å; T68-V119 HydrophobicContact CG2-CG1 3.27Å; T68-N147 PolarHBondContact N-O 3.44Å; T68-N147 PolarHBondContact O-N 3.49Å; T68-D150 WeakPolarHBondContact CB-OD2 3.28Å; T68-D150 WeakPolarHBondContact OG1-CB 3.3Å; T68-D150 PolarHBondContact OG1-OD2 2.92Å
69V48.1Very low42.3Very low3 Ų364.5 Ų64.52%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-92.6115.2178.4-179.50000107.9F120 P122 V144V69-F120 PolarHBondContact N-O 3.01Å; V69-F120 PolarHBondContact O-N 2.7Å; V69-F120 VanDerWaalsContact O-O 3.12Å; V69-P122 HydrophobicContact CG2-CB 4.16Å; V69-V144 HydrophobicContact CG1-CG1 3.98Å
70Q39.2Very low42.1Very low56 Ų5661.4 Ų61.426%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-104.7121.5178.7-59.6-176.515.200108.6T68 V119 S145T68-Q70 HydrophobicContact CG2-CG 4.41Å; Q70-V119 HydrophobicContact CG-CG1 4.46Å; Q70-V119 HydrophobicContact CG-CG2 4.33Å; Q70-S145 PolarHBondContact N-O 2.77Å; Q70-S145 PolarHBondContact O-N 3.42Å
71V44.3Very low41.9Very low4 Ų455.7 Ų55.72%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-101.2109.6171.2-179.90000106.8V73 I118 F120 F129 V142 V144V71-V73 HydrophobicContact CG1-CG2 4.28Å; V71-I118 PolarHBondContact N-O 3.42Å; V71-I118 PolarHBondContact O-N 2.84Å; V71-F120 HydrophobicContact CB-CD2 4.11Å; V71-F120 HydrophobicContact CB-CE2 3.76Å; V71-F120 HydrophobicContact CG2-CD2 3.61Å; V71-F120 HydrophobicContact CG2-CE2 3.57Å; V71-F129 HydrophobicContact CG1-CZ 4.37Å; V71-V142 HydrophobicContact CG1-CG1 4.15Å; V71-V144 HydrophobicContact CG1-CG2 4.29Å; V71-V144 HydrophobicContact CG2-CG1 4.12Å; V71-V144 HydrophobicContact CG2-CG2 4.1Å
72T39Very low41.2Very low19 Ų1953.5 Ų53.512%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-100.8111.5179.3-52.40000108.4T117 S143T72-T117 HydrophobicContact CG2-CG2 4.1Å; T72-S143 CarbonylContact C-O 3.58Å; T72-S143 PolarHBondContact N-O 2.69Å; T72-S143 PolarHBondContact O-N 2.85Å; T72-S143 PolarHBondContact O-OG 2.8Å
73V43.3Very low40.9Very low0 Ų046.3 Ų46.30%025%0.249CC..EExtended strand (participates in β ladder)trans-99.7109.2174.6-174.90000107.9V71 L79 I81 I116 Y140 V142V71-V73 HydrophobicContact CG1-CG2 4.28Å; V73-L79 HydrophobicContact CG1-CD1 3.88Å; V73-I81 HydrophobicContact CG2-CD1 4.49Å; V73-I116 PolarHBondContact N-O 3.37Å; V73-Y140 HydrophobicContact CG1-CD2 4.29Å; V73-V142 HydrophobicContact CG1-CG2 4.18Å; V73-V142 HydrophobicContact CG2-CG1 4.26Å; V73-V142 HydrophobicContact CG2-CG2 4.29Å
74T35.3Very low40.4Very low62 Ų6246.7 Ų46.738%0.3825%0.247SC..EExtended strand (participates in β ladder)trans-102.1118.3179.3-44.10000108.7I141T74-I141 PolarHBondContact N-O 3.49Å; T74-I141 PolarHBondContact O-N 2.96Å
75S34.5Very low39.9Very low15 Ų1547.8 Ų47.811%0.10526%0.26CS..  trans-133.2153163.7112.60000112.1G77 L79 Y140S75-G77 PolarHBondContact O-N 3.35Å; S75-G77 VanDerWaalsContact O-N 3.08Å; S75-G77 PolarHBondContact OG-N 3.47Å; S75-G77 PolarHBondContact OG-O 3.22Å; S75-L79 WeakPolarHBondContact OG-CD2 3.46Å; S75-L79 WeakPolarHBondContact OG-CG 3.23Å; S75-Y140 VanDerWaalsContact CB-CB 3.47Å
76P32.4Very low39.3Very low99 Ų9945.7 Ų45.764%0.64327%0.266SS*.SBendtrans-74.915.9-179.430.9-35.2000114.9L138P76-L138 HydrophobicContact CG-CB 4.14Å; P76-L138 HydrophobicContact CG-CD1 4.08Å
77G35.8Very low38.7Very low24 Ų2445.7 Ų45.725%0.24728%0.28CS..SBendtrans-157.9170.9177.400000113.2S75 L79S75-G77 PolarHBondContact O-N 3.35Å; S75-G77 VanDerWaalsContact O-N 3.08Å; S75-G77 PolarHBondContact OG-N 3.47Å; S75-G77 PolarHBondContact OG-O 3.22Å; G77-L79 PolarHBondContact O-N 3.42Å; G77-L79 VanDerWaalsContact O-N 3.14Å
78L33.1Very low39Very low94 Ų9452.5 Ų52.549%0.49231%0.311SS..  trans-51.7112.3-177.7-77.7159.4000112E112L78-E112 HydrophobicContact CD2-CB 4.49Å
79L38.8Very low38.9Very low10 Ų1057.1 Ų57.15%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-101.9130.4176-69.4168.3000109.3V73 S75 G77 I116 V131V73-L79 HydrophobicContact CG1-CD1 3.88Å; S75-L79 WeakPolarHBondContact OG-CD2 3.46Å; S75-L79 WeakPolarHBondContact OG-CG 3.23Å; G77-L79 PolarHBondContact O-N 3.42Å; G77-L79 VanDerWaalsContact O-N 3.14Å; L79-I116 HydrophobicContact CB-CD1 4.11Å; L79-I116 WeakPolarHBondContact O-CD1 3.31Å; L79-V131 HydrophobicContact CD2-CG1 4.37Å
80N37.9Very low39.1Very low78 Ų7858.8 Ų58.842%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-103.7111.5167.6-169.1-29.3000108.4V82 K132 V134N80-V82 PolarHBondContact O-N 3.12Å; N80-K132 PolarHBondContact O-N 3.32Å; N80-V134 HydrophobicContact CB-CG2 3.35Å
81I43.2Very low39.3Very low17 Ų1763.7 Ų63.79%0.08737%0.37CS..EExtended strand (participates in β ladder)trans-90.5101.1176.6-60.4-179.9000108V73 Y83 I116 I118V73-I81 HydrophobicContact CG2-CD1 4.49Å; I81-Y83 HydrophobicContact CG2-CE2 4.36Å; I81-Y83 PolarHBondContact O-N 2.83Å; I81-I116 HydrophobicContact CB-CD1 4.41Å; I81-I116 HydrophobicContact CD1-CB 3.64Å; I81-I116 HydrophobicContact CD1-CD1 3.59Å; I81-I116 HydrophobicContact CD1-CG1 4.2Å; I81-I116 HydrophobicContact CD1-CG2 3.64Å; I81-I116 HydrophobicContact CG1-CD1 3.68Å; I81-I118 HydrophobicContact CD1-CD1 3.66Å; I81-I118 HydrophobicContact CD1-CG1 4.36Å; I81-I118 HydrophobicContact CG2-CD1 3.83Å
82V38.5Very low39.3Very low50 Ų5071.8 Ų71.830%0.30341%0.407SS..EExtended strand (participates in β ladder)trans-88.6102.2174.7-176.60000107.8N80 I84 S130N80-V82 PolarHBondContact O-N 3.12Å; V82-I84 PolarHBondContact O-N 3.34Å; V82-S130 PolarHBondContact N-O 3.2Å; V82-S130 PolarHBondContact O-N 2.96Å
83Y39.2Very low39.5Very low66 Ų6673.9 Ų73.926%0.25942%0.42SS..EExtended strand (participates in β ladder)trans-60.7118.1169.4-62.3-87.8000108.7I81 T85 I118I81-Y83 HydrophobicContact CG2-CE2 4.36Å; I81-Y83 PolarHBondContact O-N 2.83Å; Y83-T85 VanDerWaalsContact C-N 3.35Å; Y83-I118 HydrophobicContact CE1-CD1 4.13Å; Y83-I118 HydrophobicContact CE1-CG2 4.24Å; Y83-I118 WeakPolarHBondContact OH-CD1 3.34Å
84I39.3Very low39.8Very low95 Ų9583.5 Ų83.549%0.48747%0.465SS..  trans-81.3-17.6179.2-72.9-167.3000111.5V82 G86V82-I84 PolarHBondContact O-N 3.34Å; I84-G86 PolarHBondContact O-N 2.97Å
85T36Very low40.7Very low83 Ų8384 Ų8451%0.50947%0.471SS..SBendtrans-91.998.1179.4-450000111.6Y83 C128Y83-T85 VanDerWaalsContact C-N 3.35Å; T85-C128 PolarHBondContact OG1-O 2.95Å
86G37.4Very low41.4Very low64 Ų6489.8 Ų89.866%0.6650%0.499SS*.SBendtrans101.386.8155.300000115.6I84I84-G86 PolarHBondContact O-N 2.97Å
87S33.9Very low42.2Very low97 Ų9791.7 Ų91.768%0.67850%0.503SS*.  trans2.2121.4155.5-170.70000116.8N89S87-N89 PolarHBondContact O-N 2.65Å
88H44.8Very low42.9Very low149 Ų14992.5 Ų92.569%0.6951%0.505SS*.SBendtrans-63.423.8177.4-64.7-97.8000115.6
89N43.3Very low43.8Very low115 Ų11592.3 Ų92.362%0.61550%0.5SS*.  trans-111.190.8177.5-80.1-19.3000110.2S87 Q91S87-N89 PolarHBondContact O-N 2.65Å; N89-Q91 PolarHBondContact O-N 2.96Å
90C51.8Low44.6Very low38 Ų3896.3 Ų96.326%0.25752%0.521SS..THydrogen-bonded Turntrans-69.633.5171.4-55.10000112.8C102 N106C90-C102 HydrophobicContact CB-CB 4.17Å; C90-C102 WeakPolarHBondContact CB-SG 3.11Å; C90-C102 WeakPolarHBondContact SG-CB 3.1Å; C90-C102 CovalentContact SG-SG 2.07Å; C90-C102 PolarHBondContact SG-SG 3.23Å; C90-N106 PolarHBondContact SG-ND2 3.17Å; C90-N106 VanDerWaalsContact SG-ND2 3.42Å
91Q44.3Very low45.3Very low159 Ų15999.3 Ų99.374%0.74353%0.53SS*.THydrogen-bonded Turntrans-98.4-14.7-175.9-159.3162.6-3.700112.9N89N89-Q91 PolarHBondContact O-N 2.96Å
92H43Very low45.9Very low173 Ų173100.1 Ų100.180%0.80154%0.537SS*.  trans-136.888.3177.8-74.5-74.9000110.5
93T44.9Very low46.7Very low64 Ų64100.1 Ų100.139%0.39354%0.537SS..  trans-137.2119.1170.8-36.50000109S95 S98T93-S95 PolarHBondContact O-N 3.12Å; T93-S95 VanDerWaalsContact O-N 3.1Å; T93-S98 VanDerWaalsContact CG2-CB 3.48Å; T93-S98 WeakPolarHBondContact CG2-OG 3.33Å
94E48.6Very low47.3Very low201 Ų201100.6 Ų100.694%0.93955%0.547SS*.SBendtrans-72.4-0.5-166.1-59.2-156.9140.300115
95S54Low47.9Very low73 Ų73100.8 Ų100.851%0.5155%0.545SS..SBendtrans-138141.3-176.4-70.70000112.7T93 L97 S98 F99T93-S95 PolarHBondContact O-N 3.12Å; T93-S95 VanDerWaalsContact O-N 3.1Å; S95-L97 VanDerWaalsContact C-N 3.26Å; S95-L97 PolarHBondContact O-N 2.93Å; S95-S98 WeakPolarHBondContact CB-OG 3.26Å; S95-S98 PolarHBondContact O-N 2.97Å; S95-S98 PolarHBondContact O-OG 3.09Å; S95-F99 PolarHBondContact O-N 3.24Å
96I49Very low48.7Very low137 Ų137101 Ų10170%0.70354%0.544SS*.Hα-helixtrans-61.2-37-177.5-63169.1000111.1F99 I100I96-F99 PolarHBondContact O-N 3.42Å; I96-I100 HydrophobicContact CG2-CD1 3.83Å; I96-I100 HydrophobicContact CG2-CG1 4.38Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.16Å; I96-I100 PolarHBondContact O-N 3.3Å
97L49.7Very low48.9Very low138 Ų138105.3 Ų105.372%0.72355%0.545SS*.Hα-helixtrans-67.1-37.2-179.6-167.9145.5000112.2S95 K101S95-L97 VanDerWaalsContact C-N 3.26Å; S95-L97 PolarHBondContact O-N 2.93Å; L97-K101 WeakPolarHBondContact O-CB 3.42Å; L97-K101 PolarHBondContact O-N 3.06Å
98S50.8Low49.1Very low41 Ų41110.2 Ų110.229%0.28755%0.548SS..Hα-helixtrans-76.3-31176.748.60000112.1T93 S95 K101 C102T93-S98 VanDerWaalsContact CG2-CB 3.48Å; T93-S98 WeakPolarHBondContact CG2-OG 3.33Å; S95-S98 WeakPolarHBondContact CB-OG 3.26Å; S95-S98 PolarHBondContact O-N 2.97Å; S95-S98 PolarHBondContact O-OG 3.09Å; S98-K101 PolarHBondContact O-N 2.87Å; S98-C102 WeakPolarHBondContact O-CB 3.45Å; S98-C102 PolarHBondContact O-N 3.07Å
99F52.5Low49.1Very low90 Ų90105.4 Ų105.440%0.39553%0.534SS..Hα-helixtrans-63.7-47.7167.5179.2-99.1000112.3S95 I96 K101 C102 V103S95-F99 PolarHBondContact O-N 3.24Å; I96-F99 PolarHBondContact O-N 3.42Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 2.65Å; F99-C102 WeakPolarHBondContact O-CB 3.18Å; F99-C102 PolarHBondContact O-N 3.22Å; F99-V103 HydrophobicContact CD1-CG2 4.22Å; F99-V103 HydrophobicContact CD2-CG2 4.4Å; F99-V103 HydrophobicContact CE1-CG2 3.83Å; F99-V103 HydrophobicContact CE2-CG2 4.03Å; F99-V103 HydrophobicContact CZ-CG2 3.73Å; F99-V103 WeakPolarHBondContact O-CG2 3.33Å; F99-V103 PolarHBondContact O-N 2.04Å
100I55.3Low48.9Very low95 Ų95103.9 Ų103.949%0.48753%0.53SS..Hα-helixtrans-59.5-45.1176.4-68166.5000109.8I96 C102 V103 T104I96-I100 HydrophobicContact CG2-CD1 3.83Å; I96-I100 HydrophobicContact CG2-CG1 4.38Å; I96-I100 VanDerWaalsContact O-CG1 3.27Å; I96-I100 WeakPolarHBondContact O-CG1 3.16Å; I96-I100 PolarHBondContact O-N 3.3Å; I100-C102 PolarHBondContact O-N 2.06Å; I100-V103 PolarHBondContact O-N 3.2Å; I100-T104 WeakPolarHBondContact O-CB 3.45Å; I100-T104 PolarHBondContact O-N 2.91Å; I100-T104 PolarHBondContact O-OG1 3.39Å
101K52.7Low48.5Very low141 Ų141111.2 Ų111.261%0.61356%0.561SS**Hα-helixtrans-60.1-42.9175.8-166179.3179.9-175.40112.1L97 S98 F99 H105L97-K101 WeakPolarHBondContact O-CB 3.42Å; L97-K101 PolarHBondContact O-N 3.06Å; S98-K101 PolarHBondContact O-N 2.87Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 2.65Å; K101-H105 WeakPolarHBondContact O-CB 3.03Å; K101-H105 PolarHBondContact O-N 2.97Å
102C55.7Low48.3Very low34 Ų34110.7 Ų110.723%0.2356%0.559CS.*Hα-helixtrans-61-47.1175.7-157.50000111.2C90 S98 F99 I100 H105 N106C90-C102 HydrophobicContact CB-CB 4.17Å; C90-C102 WeakPolarHBondContact CB-SG 3.11Å; C90-C102 WeakPolarHBondContact SG-CB 3.1Å; C90-C102 CovalentContact SG-SG 2.07Å; C90-C102 PolarHBondContact SG-SG 3.23Å; S98-C102 WeakPolarHBondContact O-CB 3.45Å; S98-C102 PolarHBondContact O-N 3.07Å; F99-C102 WeakPolarHBondContact O-CB 3.18Å; F99-C102 PolarHBondContact O-N 3.22Å; I100-C102 PolarHBondContact O-N 2.06Å; C102-H105 PolarHBondContact O-N 2.87Å; C102-N106 PolarHBondContact O-N 2.65Å; C102-N106 PolarHBondContact O-ND2 2.98Å
103V54.5Low47.9Very low49 Ų49104 Ų10430%0.29753%0.533SS..Hα-helixtrans-68.7-44.5-178.3174.40000111.6F99 I100 H105 N106 F107F99-V103 HydrophobicContact CD1-CG2 4.22Å; F99-V103 HydrophobicContact CD2-CG2 4.4Å; F99-V103 HydrophobicContact CE1-CG2 3.83Å; F99-V103 HydrophobicContact CE2-CG2 4.03Å; F99-V103 HydrophobicContact CZ-CG2 3.73Å; F99-V103 WeakPolarHBondContact O-CG2 3.33Å; F99-V103 PolarHBondContact O-N 2.04Å; I100-V103 PolarHBondContact O-N 3.2Å; V103-H105 VanDerWaalsContact C-N 3.33Å; V103-H105 PolarHBondContact O-N 3.48Å; V103-N106 PolarHBondContact O-N 3.19Å; V103-F107 VanDerWaalsContact O-CB 3.29Å; V103-F107 WeakPolarHBondContact O-CB 3.08Å; V103-F107 PolarHBondContact O-N 2.88Å
104T52.1Low47.5Very low77 Ų77108.2 Ų108.247%0.47255%0.549SS..Hα-helixtrans-64.8-38.3176.8-56.50000111.4I100 F107 W108I100-T104 WeakPolarHBondContact O-CB 3.45Å; I100-T104 PolarHBondContact O-N 2.91Å; I100-T104 PolarHBondContact O-OG1 3.39Å; T104-F107 PolarHBondContact O-N 2.97Å; T104-W108 WeakPolarHBondContact O-CB 3.41Å; T104-W108 PolarHBondContact O-N 3.44Å
105H50.9Low46.6Very low98 Ų98104.4 Ų104.445%0.45453%0.531SS..Hα-helixtrans-66.3-42.7175.5-171.8-86.8000112.1K101 C102 V103 F107 W108 A109K101-H105 WeakPolarHBondContact O-CB 3.03Å; K101-H105 PolarHBondContact O-N 2.97Å; C102-H105 PolarHBondContact O-N 2.87Å; V103-H105 VanDerWaalsContact C-N 3.33Å; V103-H105 PolarHBondContact O-N 3.48Å; H105-F107 VanDerWaalsContact C-N 3.32Å; H105-F107 PolarHBondContact O-N 3.07Å; H105-W108 PolarHBondContact O-N 3.23Å; H105-A109 WeakPolarHBondContact O-CA 3.35Å; H105-A109 VanDerWaalsContact O-CB 3.27Å; H105-A109 WeakPolarHBondContact O-CB 3.27Å; H105-A109 PolarHBondContact O-N 3.47Å
106N52.6Low46Very low88 Ų88101.5 Ų101.547%0.47151%0.51SS..Hα-helixtrans-66.8-33174.8-81.4-83.7000112.6C90 C102 V103C90-N106 PolarHBondContact SG-ND2 3.17Å; C90-N106 VanDerWaalsContact SG-ND2 3.42Å; C102-N106 PolarHBondContact O-N 2.65Å; C102-N106 PolarHBondContact O-ND2 2.98Å; V103-N106 PolarHBondContact O-N 3.19Å
107F42.7Very low45.2Very low155 Ų15598.6 Ų98.668%0.6850%0.498SS*.Hα-helixtrans-74.2-28.1177.9-172.4-97.3000112.8V103 T104 H105V103-F107 VanDerWaalsContact O-CB 3.29Å; V103-F107 WeakPolarHBondContact O-CB 3.08Å; V103-F107 PolarHBondContact O-N 2.88Å; T104-F107 PolarHBondContact O-N 2.97Å; H105-F107 VanDerWaalsContact C-N 3.32Å; H105-F107 PolarHBondContact O-N 3.07Å
108W37.5Very low45.1Very low200 Ų20092.5 Ų92.576%0.75847%0.466SS*.Hα-helixtrans-107.72.2-177.8-135.7-82.7000113.8T104 H105 P110T104-W108 WeakPolarHBondContact O-CB 3.41Å; T104-W108 PolarHBondContact O-N 3.44Å; H105-W108 PolarHBondContact O-N 3.23Å; W108-P110 WeakPolarHBondContact O-CD 3.5Å
109A44.5Very low44.5Very low48 Ų4894.6 Ų94.640%0.39748%0.477SS..  trans-66.8115176.600000108.4H105 E111H105-A109 WeakPolarHBondContact O-CA 3.35Å; H105-A109 VanDerWaalsContact O-CB 3.27Å; H105-A109 WeakPolarHBondContact O-CB 3.27Å; H105-A109 PolarHBondContact O-N 3.47Å; A109-E111 PolarHBondContact O-N 2.92Å; A109-E111 VanDerWaalsContact O-N 3.12Å
110P38.9Very low44.3Very low82 Ų8292 Ų9253%0.53247%0.466SS..  trans-67.6114.4172.427.2-29.3000107.2W108 E112W108-P110 WeakPolarHBondContact O-CD 3.5Å; P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.19Å
111E43.3Very low43.5Very low192 Ų19291.4 Ų91.490%0.89747%0.47SS*.SBendtrans-64.4-37.4-174.8-158.4168.8166.300110.7A109A109-E111 PolarHBondContact O-N 2.92Å; A109-E111 VanDerWaalsContact O-N 3.12Å
112E40.4Very low42.9Very low148 Ų14886 Ų8669%0.69245%0.449SS*.SBendtrans-155.4128.9171.9-62.5-162.5173.400110.7L78 P110L78-E112 HydrophobicContact CD2-CB 4.49Å; P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.19Å
113A35.5Very low42.1Very low33 Ų3389.6 Ų89.627%0.27346%0.459SS..  trans-150.1142173.200000112.1E115 I116A113-E115 PolarHBondContact O-N 3.34Å; A113-I116 HydrophobicContact CB-CG1 4.42Å; A113-I116 WeakPolarHBondContact O-CG1 3.48Å
114E36.6Very low41.7Very low153 Ų15389.5 Ų89.572%0.71547%0.468SS*.SBendtrans-62.4-19.5175.3-71.4-178.2152.600113.1
115E30.1Very low41.1Very low120 Ų12094 Ų9456%0.56148%0.483SS*.EExtended strand (participates in β ladder)trans-133.8113.6176.3-173.8174.7-165.400108.3A113A113-E115 PolarHBondContact O-N 3.34Å
116I40.7Very low40.7Very low13 Ų1393.3 Ų93.37%0.06749%0.486CS..EExtended strand (participates in β ladder)trans-108.9103.8179.3-52.5168.4000108.3V73 L79 I81 A113 I118V73-I116 PolarHBondContact N-O 3.37Å; L79-I116 HydrophobicContact CB-CD1 4.11Å; L79-I116 WeakPolarHBondContact O-CD1 3.31Å; I81-I116 HydrophobicContact CB-CD1 4.41Å; I81-I116 HydrophobicContact CD1-CB 3.64Å; I81-I116 HydrophobicContact CD1-CD1 3.59Å; I81-I116 HydrophobicContact CD1-CG1 4.2Å; I81-I116 HydrophobicContact CD1-CG2 3.64Å; I81-I116 HydrophobicContact CG1-CD1 3.68Å; A113-I116 HydrophobicContact CB-CG1 4.42Å; A113-I116 WeakPolarHBondContact O-CG1 3.48Å; I116-I118 HydrophobicContact CG2-CD1 4.43Å; I116-I118 HydrophobicContact CG2-CG1 3.85Å
117T32.8Very low40.7Very low76 Ų7691.4 Ų91.447%0.46648%0.478SS..EExtended strand (participates in β ladder)trans-88104.9170.754.60000108.7T72T72-T117 HydrophobicContact CG2-CG2 4.1Å
118I47.2Very low41.1Very low9 Ų985.5 Ų85.55%0.04646%0.455CS..EExtended strand (participates in β ladder)trans-92.8111.8175.9-52.4175.6000108V71 I81 Y83 I116 F120V71-I118 PolarHBondContact N-O 3.42Å; V71-I118 PolarHBondContact O-N 2.84Å; I81-I118 HydrophobicContact CD1-CD1 3.66Å; I81-I118 HydrophobicContact CD1-CG1 4.36Å; I81-I118 HydrophobicContact CG2-CD1 3.83Å; Y83-I118 HydrophobicContact CE1-CD1 4.13Å; Y83-I118 HydrophobicContact CE1-CG2 4.24Å; Y83-I118 WeakPolarHBondContact OH-CD1 3.34Å; I116-I118 HydrophobicContact CG2-CD1 4.43Å; I116-I118 HydrophobicContact CG2-CG1 3.85Å; I118-F120 HydrophobicContact CB-CD2 4.47Å; I118-F120 HydrophobicContact CB-CE2 3.87Å; I118-F120 HydrophobicContact CB-CZ 4.05Å; I118-F120 HydrophobicContact CG2-CD1 4.13Å; I118-F120 HydrophobicContact CG2-CD2 4.01Å; I118-F120 HydrophobicContact CG2-CE1 3.6Å; I118-F120 HydrophobicContact CG2-CE2 3.5Å; I118-F120 VanDerWaalsContact CG2-CE2 3.5Å; I118-F120 HydrophobicContact CG2-CG 4.32Å; I118-F120 HydrophobicContact CG2-CZ 3.28Å
119V38.2Very low42Very low85 Ų8576 Ų7652%0.51542%0.419SS..EExtended strand (participates in β ladder)trans-90.2106.1178.2-175.20000107.9T68 Q70T68-V119 HydrophobicContact CG2-CG1 3.27Å; Q70-V119 HydrophobicContact CG-CG1 4.46Å; Q70-V119 HydrophobicContact CG-CG2 4.33Å
120F47.6Very low42Very low37 Ų3774.2 Ų74.216%0.16240%0.404CS..EExtended strand (participates in β ladder)trans-92.9133.8174.5-62.5-76.8000109.8V69 V71 I118 V127 F129V69-F120 PolarHBondContact N-O 3.01Å; V69-F120 PolarHBondContact O-N 2.7Å; V69-F120 VanDerWaalsContact O-O 3.12Å; V71-F120 HydrophobicContact CB-CD2 4.11Å; V71-F120 HydrophobicContact CB-CE2 3.76Å; V71-F120 HydrophobicContact CG2-CD2 3.61Å; V71-F120 HydrophobicContact CG2-CE2 3.57Å; I118-F120 HydrophobicContact CB-CD2 4.47Å; I118-F120 HydrophobicContact CB-CE2 3.87Å; I118-F120 HydrophobicContact CB-CZ 4.05Å; I118-F120 HydrophobicContact CG2-CD1 4.13Å; I118-F120 HydrophobicContact CG2-CD2 4.01Å; I118-F120 HydrophobicContact CG2-CE1 3.6Å; I118-F120 HydrophobicContact CG2-CE2 3.5Å; I118-F120 VanDerWaalsContact CG2-CE2 3.5Å; I118-F120 HydrophobicContact CG2-CG 4.32Å; I118-F120 HydrophobicContact CG2-CZ 3.28Å; F120-V127 HydrophobicContact CE1-CB 4.44Å; F120-V127 HydrophobicContact CE1-CG1 3.91Å; F120-F129 HydrophobicContact CZ-CD1 4.25Å; F120-F129 HydrophobicContact CZ-CE1 4.35Å
121S38.7Very low42.7Very low81 Ų8170.3 Ų70.357%0.56638%0.379SS*.  trans-68.8130.3162-1790000108Y123S121-Y123 PolarHBondContact O-N 3.31Å
122P41.5Very low42.6Very low29 Ų2966.7 Ų66.719%0.18836%0.36CS..SBendtrans-68.97.1-178.428.4-35.6000114.7Q56 S67 V69Q56-P122 PolarHBondContact OE1-O 2.87Å; S67-P122 VanDerWaalsContact O-CG 3.31Å; S67-P122 WeakPolarHBondContact O-CG 2.93Å; V69-P122 HydrophobicContact CG2-CB 4.16Å
123Y39Very low42.6Very low108 Ų10861.8 Ų61.842%0.42434%0.341SS..SBendtrans-127.1115.8-177.3-63.5-75.1000111Y64 S121Y64-Y123 PolarHBondContact O-OH 2.83Å; S121-Y123 PolarHBondContact O-N 3.31Å
124G44.8Very low42.6Very low47 Ų4764.5 Ų64.549%0.48535%0.354SS..SBendtrans156.5-174172.500000113.8Q56Q56-G124 VanDerWaalsContact CD-O 3.23Å; Q56-G124 PolarHBondContact NE2-O 3.43Å; Q56-G124 PolarHBondContact OE1-O 3.45Å
125E39.8Very low43.1Very low171 Ų17160 Ų6080%0.79935%0.349SS*.SBendtrans-58155.5175.9-67.4174.8174.700112.6V127E125-V127 WeakPolarHBondContact O-CG2 3.47Å; E125-V127 PolarHBondContact O-N 2.97Å
126T42.3Very low43.4Very low85 Ų8565.4 Ų65.452%0.52136%0.364SS..PPolyproline II helixtrans-56119.7177.249.30000110.5
127V52.9Low43.3Very low47 Ų4771.1 Ų71.129%0.28539%0.394SS..EExtended strand (participates in β ladder)trans-98.6120-179.8-166.70000108.8Y54 F120 E125Y54-V127 PolarHBondContact N-O 3.38Å; F120-V127 HydrophobicContact CE1-CB 4.44Å; F120-V127 HydrophobicContact CE1-CG1 3.91Å; E125-V127 WeakPolarHBondContact O-CG2 3.47Å; E125-V127 PolarHBondContact O-N 2.97Å
128C50.1Low43.5Very low31 Ų3171.7 Ų71.721%0.20939%0.394CS..EExtended strand (participates in β ladder)trans-110.4131.9173-67.30000109Y52 C53 T85Y52-C128 WeakPolarHBondContact O-CA 3.05Å; C53-C128 HydrophobicContact CB-CB 4.24Å; C53-C128 WeakPolarHBondContact CB-SG 3.31Å; C53-C128 WeakPolarHBondContact SG-CB 3.33Å; C53-C128 CovalentContact SG-SG 2.06Å; C53-C128 PolarHBondContact SG-SG 2.94Å; T85-C128 PolarHBondContact OG1-O 2.95Å
129F57.6Low43.2Very low0 Ų075.1 Ų75.10%042%0.417CS..EExtended strand (participates in β ladder)trans-128.8147.8177.561.1-88.8000110.3L38 Y52 V71 F120 V131L38-F129 HydrophobicContact CD1-CE1 3.73Å; L38-F129 HydrophobicContact CD1-CE2 4.45Å; L38-F129 HydrophobicContact CD1-CZ 3.4Å; Y52-F129 HydrophobicContact CD2-CE2 4.49Å; Y52-F129 PolarHBondContact N-O 2.83Å; Y52-F129 PolarHBondContact O-N 3.34Å; V71-F129 HydrophobicContact CG1-CZ 4.37Å; F120-F129 HydrophobicContact CZ-CD1 4.25Å; F120-F129 HydrophobicContact CZ-CE1 4.35Å; F129-V131 HydrophobicContact CD2-CG2 3.8Å; F129-V131 HydrophobicContact CE2-CG2 3.84Å
130S44.1Very low43.3Very low12 Ų1271.2 Ų71.28%0.08439%0.393CS..EExtended strand (participates in β ladder)trans-116.9121.2172.6-178.90000108.7V82V82-S130 PolarHBondContact N-O 3.2Å; V82-S130 PolarHBondContact O-N 2.96Å
131V52.8Low43.2Very low0 Ų072.5 Ų72.50%040%0.401CS..EExtended strand (participates in β ladder)trans-86.3114.9175.4-174.50000106.9L79 F129 Y140L79-V131 HydrophobicContact CD2-CG1 4.37Å; F129-V131 HydrophobicContact CD2-CG2 3.8Å; F129-V131 HydrophobicContact CE2-CG2 3.84Å; V131-Y140 HydrophobicContact CG1-CE2 4.43Å
132K41.6Very low43.6Very low116 Ų11668.7 Ų68.750%0.50437%0.374SS..EExtended strand (participates in β ladder)trans-109.2110.5173.2-71.4-175.7179.8176.50108.2N80 V134N80-K132 PolarHBondContact O-N 3.32Å; K132-V134 PolarHBondContact O-N 2.93Å
133P40.6Very low43.6Very low45 Ų4568.8 Ų68.829%0.29238%0.375SS..EExtended strand (participates in β ladder)trans-65.5134.2176.925.7-31.4000110.1G135P133-G135 PolarHBondContact O-N 2.94Å
134V36.5Very low43.9Very low90 Ų9064.1 Ų64.155%0.54536%0.358SS..SBendtrans-94.494.1170.5179.20000107.3N80 K132N80-V134 HydrophobicContact CB-CG2 3.35Å; K132-V134 PolarHBondContact O-N 2.93Å
135G47Very low43.8Very low59 Ų5965 Ų6561%0.60836%0.357SS*.SBendtrans124.3-159.1175.500000114.3P133P133-G135 PolarHBondContact O-N 2.94Å
136R35.7Very low44.1Very low233 Ų23359.9 Ų59.988%0.87933%0.33SS*.SBendtrans-63.1137.9-172.5-65.3-170.1-170.5-165.24.1110.8L138R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.32Å
137L38Very low44.6Very low132 Ų13259.4 Ų59.469%0.69132%0.324SS*.  trans-58.878.1-178-64.9110.9000112.9S47S47-L137 WeakPolarHBondContact O-CD2 3.3Å
138L37.6Very low44.4Very low88 Ų8862.6 Ų62.646%0.46134%0.339SS..  trans-90141.1169.9-67.4171.5000109.4P76 R136 Y140P76-L138 HydrophobicContact CG-CB 4.14Å; P76-L138 HydrophobicContact CG-CD1 4.08Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 PolarHBondContact O-N 3.32Å; L138-Y140 PolarHBondContact O-N 2.9Å
139P40.9Very low44.4Very low82 Ų8264.2 Ų64.253%0.53235%0.347SS..  trans-63.9126.3176.326.6-32.8000109.8
140Y40.7Very low44.6Very low2 Ų266 Ų661%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-106.1144.9176.762.6-89.2000110.2T46 V48 V73 S75 V131 L138 V142T46-Y140 HydrophobicContact CG2-CE1 3.86Å; T46-Y140 HydrophobicContact CG2-CE2 4.47Å; T46-Y140 WeakPolarHBondContact CG2-OH 3.38Å; T46-Y140 PolarHBondContact N-O 3.36Å; T46-Y140 WeakPolarHBondContact O-CD1 3.38Å; T46-Y140 VanDerWaalsContact O-CE1 3.31Å; T46-Y140 WeakPolarHBondContact O-CE1 3.46Å; T46-Y140 PolarHBondContact O-N 3.37Å; V48-Y140 WeakPolarHBondContact O-CE1 3.28Å; V48-Y140 PolarHBondContact O-OH 2.92Å; V73-Y140 HydrophobicContact CG1-CD2 4.29Å; S75-Y140 VanDerWaalsContact CB-CB 3.47Å; V131-Y140 HydrophobicContact CG1-CE2 4.43Å; L138-Y140 PolarHBondContact O-N 2.9Å; Y140-V142 HydrophobicContact CD2-CG2 3.76Å; Y140-V142 HydrophobicContact CE2-CG2 3.71Å
141I44.7Very low45.7Very low65 Ų6572.6 Ų72.633%0.33339%0.385SS..EExtended strand (participates in β ladder)trans-106115.9-179.6-54.8-179.7000107.5L43 K45 T74L43-I141 HydrophobicContact CD2-CG2 3.83Å; L43-I141 HydrophobicContact CG-CG2 4.04Å; K45-I141 HydrophobicContact CG-CG1 4.29Å; T74-I141 PolarHBondContact N-O 3.49Å; T74-I141 PolarHBondContact O-N 2.96Å
142V46.8Very low46.4Very low0 Ų080.2 Ų80.20%042%0.418CS..EExtended strand (participates in β ladder)trans-93.7118169.8-178.20000107.4L43 I44 V71 V73 Y140L43-V142 WeakPolarHBondContact CA-O 3.35Å; I44-V142 PolarHBondContact N-O 3.47Å; I44-V142 PolarHBondContact O-N 3.19Å; V71-V142 HydrophobicContact CG1-CG1 4.15Å; V73-V142 HydrophobicContact CG1-CG2 4.18Å; V73-V142 HydrophobicContact CG2-CG1 4.26Å; V73-V142 HydrophobicContact CG2-CG2 4.29Å; Y140-V142 HydrophobicContact CD2-CG2 3.76Å; Y140-V142 HydrophobicContact CE2-CG2 3.71Å
143S41.3Very low47.6Very low31 Ų3178 Ų7822%0.21741%0.411CS..EExtended strand (participates in β ladder)trans-120.1127.9176.164.60000110.3T72T72-S143 CarbonylContact C-O 3.58Å; T72-S143 PolarHBondContact N-O 2.69Å; T72-S143 PolarHBondContact O-N 2.85Å; T72-S143 PolarHBondContact O-OG 2.8Å
144V45.7Very low49.1Very low10 Ų1081.2 Ų81.26%0.06142%0.421CS..EExtended strand (participates in β ladder)trans-102.8103.3176.2-175.60000108.2V69 V71V69-V144 HydrophobicContact CG1-CG1 3.98Å; V71-V144 HydrophobicContact CG1-CG2 4.29Å; V71-V144 HydrophobicContact CG2-CG1 4.12Å; V71-V144 HydrophobicContact CG2-CG2 4.1Å
145S42.6Very low51Low67 Ų6782 Ų8247%0.46942%0.421SS..EExtended strand (participates in β ladder)trans-99.3117.4177.9-170.70000110.1Q70Q70-S145 PolarHBondContact N-O 2.77Å; Q70-S145 PolarHBondContact O-N 3.42Å
146R45.9Very low52.5Low63 Ų6383.7 Ų83.724%0.23842%0.419CS..EExtended strand (participates in β ladder)trans-89.9112175.9-168.9-165.7-157.3133.424.8108.9E40 Y64 I148E40-R146 WeakPolarHBondContact OE1-CD 3.29Å; E40-R146 VanDerWaalsContact OE1-CG 3.23Å; E40-R146 WeakPolarHBondContact OE1-CG 3.19Å; E40-R146 IonicContact OE1-CZ 2.8Å; E40-R146 IonicContact OE1-NE 2.96Å; E40-R146 PolarHBondContact OE1-NE 2.97Å; E40-R146 IonicContact OE1-NH1 2.97Å; E40-R146 PolarHBondContact OE1-NH1 3.45Å; E40-R146 IonicContact OE1-NH2 3.34Å; E40-R146 PolarHBondContact OE1-NH2 3.45Å; E40-R146 IonicContact OE2-CZ 3.25Å; E40-R146 VanDerWaalsContact OE2-CZ 3.25Å; E40-R146 IonicContact OE2-NH1 2.65Å; E40-R146 PolarHBondContact OE2-NH1 3.46Å; E40-R146 IonicContact OE2-NH2 3.58Å; Y64-R146 VanDerWaalsContact CD1-CZ 3.43Å; R146-I148 PolarHBondContact O-N 3.2Å
147N53Low54.4Low74 Ų7477.4 Ų77.440%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-88111.2170.4-149.9-2.8000108.7S67 T68 V149S67-N147 WeakPolarHBondContact CA-O 3.4Å; T68-N147 PolarHBondContact N-O 3.44Å; T68-N147 PolarHBondContact O-N 3.49Å; N147-V149 PolarHBondContact O-N 3.12Å
148I49.9Very low56.6Low115 Ų11574.1 Ų74.159%0.5938%0.384SS*.SBendtrans-64.5-31.9-171.9-58.7170.4000110.7S67 R146S67-I148 PolarHBondContact OG-O 2.72Å; R146-I148 PolarHBondContact O-N 3.2Å
149V50Low58.8Low64 Ų6473.6 Ų73.639%0.38838%0.384SS..  trans-130108.2179.3-174.10000109.1N147 F151 F154N147-V149 PolarHBondContact O-N 3.12Å; V149-F151 PolarHBondContact O-N 3.44Å; V149-F151 VanDerWaalsContact O-N 3.12Å; V149-F154 HydrophobicContact CG1-CB 4.46Å
150D61.8Low61Low38 Ų3871.5 Ų71.520%0.20338%0.378CS..  trans-74.7101.1167.3-162.2-36.4000108.5W66 T68 K152 L153 F154W66-D150 PolarHBondContact O-N 3.36Å; W66-D150 VanDerWaalsContact O-N 3.09Å; T68-D150 WeakPolarHBondContact CB-OD2 3.28Å; T68-D150 WeakPolarHBondContact OG1-CB 3.3Å; T68-D150 PolarHBondContact OG1-OD2 2.92Å; D150-K152 PolarHBondContact O-N 3.11Å; D150-K152 WeakPolarHBondContact OD1-CB 3.42Å; D150-K152 PolarHBondContact OD1-N 3.16Å; D150-L153 HydrophobicContact CB-CB 4.03Å; D150-L153 PolarHBondContact O-N 3.32Å; D150-F154 PolarHBondContact O-N 3.48Å
151F66.9Low63.1Low151 Ų15175.1 Ų75.166%0.66240%0.396SS*.Hα-helixtrans-52.3-30.7178.4-79.8-80000112V149 L155V149-F151 PolarHBondContact O-N 3.44Å; V149-F151 VanDerWaalsContact O-N 3.12Å; F151-L155 WeakPolarHBondContact O-CB 3.3Å; F151-L155 WeakPolarHBondContact O-CG 3.28Å; F151-L155 PolarHBondContact O-N 3.01Å
152K66.5Low65.1Low160 Ų16077.2 Ų77.270%0.69640%0.404SS*.Hα-helixtrans-65.8-44.3176.4-169-179.5178.3179.70111.1D150 L155 V156D150-K152 PolarHBondContact O-N 3.11Å; D150-K152 WeakPolarHBondContact OD1-CB 3.42Å; D150-K152 PolarHBondContact OD1-N 3.16Å; K152-L155 PolarHBondContact O-N 3.29Å; K152-V156 VanDerWaalsContact O-CG2 3.28Å; K152-V156 WeakPolarHBondContact O-CG2 3.47Å; K152-V156 PolarHBondContact O-N 3.43Å
153L66.6Low66.9Low69 Ų6981.1 Ų81.136%0.36142%0.424SS..Hα-helixtrans-69.8-39.2178.9-168.464.9000111.4W66 D150 V156 F157W66-L153 HydrophobicContact CE3-CD2 3.79Å; W66-L153 HydrophobicContact CE3-CG 3.9Å; W66-L153 HydrophobicContact CZ3-CD2 4.45Å; W66-L153 HydrophobicContact CZ3-CG 4.26Å; D150-L153 HydrophobicContact CB-CB 4.03Å; D150-L153 PolarHBondContact O-N 3.32Å; L153-V156 PolarHBondContact O-N 3.5Å; L153-F157 PolarHBondContact O-N 3.41Å
154F72.8Confident69Low113 Ų11387.6 Ų87.650%0.49645%0.448SS..Hα-helixtrans-59.6-45.5171.5-179.9-99.8000111.8V149 D150 V156 F157 V158V149-F154 HydrophobicContact CG1-CB 4.46Å; D150-F154 PolarHBondContact O-N 3.48Å; F154-V156 PolarHBondContact O-N 2.91Å; F154-F157 WeakPolarHBondContact O-CB 3.49Å; F154-F157 PolarHBondContact O-N 2.9Å; F154-V158 HydrophobicContact CD1-CG2 4.17Å; F154-V158 HydrophobicContact CE1-CG2 3.76Å; F154-V158 HydrophobicContact CE2-CG2 4.23Å; F154-V158 HydrophobicContact CZ-CG2 3.79Å; F154-V158 WeakPolarHBondContact O-CG2 3.28Å; F154-V158 PolarHBondContact O-N 2.85Å
155L75.8Confident70.7Confident107 Ų10792.9 Ų92.956%0.5648%0.476SS*.Hα-helixtrans-62.5-40.6176-75.8170.2000112.4F151 K152 F157 V158 T159F151-L155 WeakPolarHBondContact O-CB 3.3Å; F151-L155 WeakPolarHBondContact O-CG 3.28Å; F151-L155 PolarHBondContact O-N 3.01Å; K152-L155 PolarHBondContact O-N 3.29Å; L155-F157 VanDerWaalsContact C-N 3.33Å; L155-V158 PolarHBondContact O-N 2.93Å; L155-T159 VanDerWaalsContact O-CB 3.3Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 PolarHBondContact O-N 3.38Å; L155-T159 PolarHBondContact O-OG1 2.96Å
156V78.8Confident72.3Confident93 Ų9394.7 Ų94.756%0.56447%0.473SS*.Hα-helixtrans-61.9-42.6174.8170.60000110.7K152 L153 F154 T159 G160K152-V156 VanDerWaalsContact O-CG2 3.28Å; K152-V156 WeakPolarHBondContact O-CG2 3.47Å; K152-V156 PolarHBondContact O-N 3.43Å; L153-V156 PolarHBondContact O-N 3.5Å; F154-V156 PolarHBondContact O-N 2.91Å; V156-T159 PolarHBondContact O-N 3.44Å; V156-G160 PolarHBondContact O-N 2.07Å
157F77.3Confident73.9Confident101 Ų10194 Ų9444%0.44348%0.481SS..Hα-helixtrans-63.2-48.2176.8-177.9-106.5000112.3W66 L153 F154 L155 T159 G160 I161W66-F157 HydrophobicContact CH2-CB 4.37Å; W66-F157 AromaticContact CH2-CD2 3.52Å; W66-F157 HydrophobicContact CH2-CD2 3.52Å; W66-F157 AromaticContact CH2-CE2 3.85Å; W66-F157 HydrophobicContact CH2-CE2 3.85Å; W66-F157 AromaticContact CH2-CG 3.92Å; W66-F157 HydrophobicContact CH2-CG 3.92Å; W66-F157 HydrophobicContact CH2-CZ 4.48Å; W66-F157 HydrophobicContact CZ2-CD2 4.49Å; W66-F157 HydrophobicContact CZ2-CE2 4.46Å; W66-F157 HydrophobicContact CZ3-CB 4.06Å; W66-F157 HydrophobicContact CZ3-CD2 4.03Å; W66-F157 HydrophobicContact CZ3-CG 4.11Å; L153-F157 PolarHBondContact O-N 3.41Å; F154-F157 WeakPolarHBondContact O-CB 3.49Å; F154-F157 PolarHBondContact O-N 2.9Å; L155-F157 VanDerWaalsContact C-N 3.33Å; F157-T159 VanDerWaalsContact C-N 3.3Å; F157-T159 PolarHBondContact O-N 2.89Å; F157-G160 PolarHBondContact O-N 3.41Å; F157-G160 VanDerWaalsContact O-N 3.16Å; F157-I161 HydrophobicContact CD1-CD1 3.81Å; F157-I161 HydrophobicContact CE1-CD1 3.32Å; F157-I161 HydrophobicContact CE1-CG1 4.4Å; F157-I161 HydrophobicContact CE2-CD1 4.36Å; F157-I161 HydrophobicContact CZ-CD1 3.65Å; F157-I161 HydrophobicContact CZ-CG1 4.42Å; F157-I161 PolarHBondContact O-N 3.49Å
158V82.4Confident74.9Confident64 Ų6497.9 Ų97.939%0.38849%0.494SS..Hα-helixtrans-60.5-41.7176.31730000111F154 L155 G160 I161 F162F154-V158 HydrophobicContact CD1-CG2 4.17Å; F154-V158 HydrophobicContact CE1-CG2 3.76Å; F154-V158 HydrophobicContact CE2-CG2 4.23Å; F154-V158 HydrophobicContact CZ-CG2 3.79Å; F154-V158 WeakPolarHBondContact O-CG2 3.28Å; F154-V158 PolarHBondContact O-N 2.85Å; L155-V158 PolarHBondContact O-N 2.93Å; V158-G160 VanDerWaalsContact C-N 3.34Å; V158-G160 PolarHBondContact O-N 2.99Å; V158-I161 PolarHBondContact O-N 3.28Å; V158-F162 WeakPolarHBondContact O-CB 3.43Å; V158-F162 PolarHBondContact O-N 2.9Å
159T85.5Confident75.9Confident76 Ų7696.8 Ų96.847%0.46649%0.493SS..Hα-helixtrans-61.7-42.9175.7-56.70000111.1L155 V156 F157 I161 F162 L163L155-T159 VanDerWaalsContact O-CB 3.3Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 PolarHBondContact O-N 3.38Å; L155-T159 PolarHBondContact O-OG1 2.96Å; V156-T159 PolarHBondContact O-N 3.44Å; F157-T159 VanDerWaalsContact C-N 3.3Å; F157-T159 PolarHBondContact O-N 2.89Å; T159-I161 PolarHBondContact O-N 3.4Å; T159-F162 PolarHBondContact O-N 3.18Å; T159-L163 HydrophobicContact CG2-CD1 4.09Å; T159-L163 HydrophobicContact CG2-CG 4.38Å; T159-L163 WeakPolarHBondContact O-CB 3.36Å; T159-L163 VanDerWaalsContact O-CG 3.28Å; T159-L163 WeakPolarHBondContact O-CG 3.39Å; T159-L163 PolarHBondContact O-N 2.91Å
160G85.5Confident76.9Confident39 Ų3995.5 Ų95.540%0.40248%0.484SS..Hα-helixtrans-60.9-43.117600000113V156 F157 V158 L163 F164V156-G160 PolarHBondContact O-N 2.07Å; F157-G160 PolarHBondContact O-N 3.41Å; F157-G160 VanDerWaalsContact O-N 3.16Å; V158-G160 VanDerWaalsContact C-N 3.34Å; V158-G160 PolarHBondContact O-N 2.99Å; G160-L163 PolarHBondContact O-N 2.95Å; G160-F164 WeakPolarHBondContact O-CB 3.34Å; G160-F164 PolarHBondContact O-N 2.87Å
161I86.6Confident77.3Confident77 Ų7798 Ų9840%0.39551%0.505SS..Hα-helixtrans-63.6-45.2175.1-67.4170.3000110.7F157 V158 T159 L163 F164 L165F157-I161 HydrophobicContact CD1-CD1 3.81Å; F157-I161 HydrophobicContact CE1-CD1 3.32Å; F157-I161 HydrophobicContact CE1-CG1 4.4Å; F157-I161 HydrophobicContact CE2-CD1 4.36Å; F157-I161 HydrophobicContact CZ-CD1 3.65Å; F157-I161 HydrophobicContact CZ-CG1 4.42Å; F157-I161 PolarHBondContact O-N 3.49Å; V158-I161 PolarHBondContact O-N 3.28Å; T159-I161 PolarHBondContact O-N 3.4Å; I161-L163 PolarHBondContact O-N 3.4Å; I161-F164 PolarHBondContact O-N 3.34Å; I161-L165 HydrophobicContact CG2-CD1 3.88Å; I161-L165 HydrophobicContact CG2-CG 4.27Å; I161-L165 WeakPolarHBondContact O-CG 3.35Å; I161-L165 PolarHBondContact O-N 3.27Å
162F86.1Confident77.9Confident110 Ų11097.8 Ų97.848%0.48251%0.505SS..Hα-helixtrans-60.3-47.8177.8-169.8-91.2000110.9V158 T159 F164 L165 Y166V158-F162 WeakPolarHBondContact O-CB 3.43Å; V158-F162 PolarHBondContact O-N 2.9Å; T159-F162 PolarHBondContact O-N 3.18Å; F162-F164 VanDerWaalsContact C-N 3.28Å; F162-F164 PolarHBondContact O-N 2.82Å; F162-L165 PolarHBondContact O-N 3.48Å; F162-Y166 AromaticContact CD1-CD2 3.89Å; F162-Y166 HydrophobicContact CD1-CD2 3.89Å; F162-Y166 HydrophobicContact CD1-CE2 4.47Å; F162-Y166 HydrophobicContact CD1-CG 4.49Å; F162-Y166 AromaticContact CD2-CD2 3.66Å; F162-Y166 HydrophobicContact CD2-CD2 3.66Å; F162-Y166 AromaticContact CD2-CE2 3.5Å; F162-Y166 HydrophobicContact CD2-CE2 3.5Å; F162-Y166 VanDerWaalsContact CD2-CE2 3.5Å; F162-Y166 AromaticContact CE1-CD2 3.74Å; F162-Y166 HydrophobicContact CE1-CD2 3.74Å; F162-Y166 HydrophobicContact CE1-CE2 4.16Å; F162-Y166 HydrophobicContact CE1-CG 4.1Å; F162-Y166 AromaticContact CE2-CD2 3.52Å; F162-Y166 HydrophobicContact CE2-CD2 3.52Å; F162-Y166 AromaticContact CE2-CE2 3.11Å; F162-Y166 HydrophobicContact CE2-CE2 3.11Å; F162-Y166 HydrophobicContact CE2-CG 4.47Å; F162-Y166 AromaticContact CE2-CZ 3.78Å; F162-Y166 AromaticContact CG-CD2 3.85Å; F162-Y166 HydrophobicContact CG-CD2 3.85Å; F162-Y166 HydrophobicContact CG-CE2 4.18Å; F162-Y166 AromaticContact CZ-CD2 3.55Å; F162-Y166 HydrophobicContact CZ-CD2 3.55Å; F162-Y166 HydrophobicContact CZ-CE1 4.44Å; F162-Y166 AromaticContact CZ-CE2 3.48Å; F162-Y166 HydrophobicContact CZ-CE2 3.48Å; F162-Y166 VanDerWaalsContact CZ-CE2 3.48Å; F162-Y166 HydrophobicContact CZ-CG 4.09Å; F162-Y166 AromaticContact CZ-CZ 3.94Å; F162-Y166 WeakPolarHBondContact O-CB 3.46Å; F162-Y166 VanDerWaalsContact O-CD2 3.28Å; F162-Y166 WeakPolarHBondContact O-CD2 3.29Å; F162-Y166 PolarHBondContact O-N 3.18Å
163L85.3Confident78.4Confident82 Ų8291.9 Ų91.943%0.42949%0.485SS..Hα-helixtrans-58.8-39.2175.4-72.6172.8000112.2T159 G160 I161 A167 L170 F176T159-L163 HydrophobicContact CG2-CD1 4.09Å; T159-L163 HydrophobicContact CG2-CG 4.38Å; T159-L163 WeakPolarHBondContact O-CB 3.36Å; T159-L163 VanDerWaalsContact O-CG 3.28Å; T159-L163 WeakPolarHBondContact O-CG 3.39Å; T159-L163 PolarHBondContact O-N 2.91Å; G160-L163 PolarHBondContact O-N 2.95Å; I161-L163 PolarHBondContact O-N 3.4Å; L163-A167 VanDerWaalsContact O-CA 3.25Å; L163-A167 WeakPolarHBondContact O-CA 3.28Å; L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.35Å; L163-A167 PolarHBondContact O-N 3.37Å; L163-L170 HydrophobicContact CD2-CD1 3.99Å; L163-F176 HydrophobicContact CD2-CZ 4.45Å
164F83.4Confident78.9Confident166 Ų16692.8 Ų92.873%0.72850%0.495SS*.Hα-helixtrans-67.1-46.9178.3-177.2-99.3000112.5G160 I161 F162 A167G160-F164 WeakPolarHBondContact O-CB 3.34Å; G160-F164 PolarHBondContact O-N 2.87Å; I161-F164 PolarHBondContact O-N 3.34Å; F162-F164 VanDerWaalsContact C-N 3.28Å; F162-F164 PolarHBondContact O-N 2.82Å; F164-A167 WeakPolarHBondContact O-CB 3.29Å; F164-A167 PolarHBondContact O-N 3.45Å
165L81.9Confident79.1Confident121 Ų12193 Ų9363%0.63451%0.505SS*.Hα-helixtrans-66.8-40179.6-67.9176.2000112I161 F162 A167I161-L165 HydrophobicContact CG2-CD1 3.88Å; I161-L165 HydrophobicContact CG2-CG 4.27Å; I161-L165 WeakPolarHBondContact O-CG 3.35Å; I161-L165 PolarHBondContact O-N 3.27Å; F162-L165 PolarHBondContact O-N 3.48Å; L165-A167 VanDerWaalsContact C-N 3.35Å
166Y77Confident79.2Confident106 Ų10691.3 Ų91.342%0.41649%0.493SS..Hα-helixtrans-89.72.3179.9-71.8-88.9000113.2F162 K168 T169 L170F162-Y166 AromaticContact CD1-CD2 3.89Å; F162-Y166 HydrophobicContact CD1-CD2 3.89Å; F162-Y166 HydrophobicContact CD1-CE2 4.47Å; F162-Y166 HydrophobicContact CD1-CG 4.49Å; F162-Y166 AromaticContact CD2-CD2 3.66Å; F162-Y166 HydrophobicContact CD2-CD2 3.66Å; F162-Y166 AromaticContact CD2-CE2 3.5Å; F162-Y166 HydrophobicContact CD2-CE2 3.5Å; F162-Y166 VanDerWaalsContact CD2-CE2 3.5Å; F162-Y166 AromaticContact CE1-CD2 3.74Å; F162-Y166 HydrophobicContact CE1-CD2 3.74Å; F162-Y166 HydrophobicContact CE1-CE2 4.16Å; F162-Y166 HydrophobicContact CE1-CG 4.1Å; F162-Y166 AromaticContact CE2-CD2 3.52Å; F162-Y166 HydrophobicContact CE2-CD2 3.52Å; F162-Y166 AromaticContact CE2-CE2 3.11Å; F162-Y166 HydrophobicContact CE2-CE2 3.11Å; F162-Y166 HydrophobicContact CE2-CG 4.47Å; F162-Y166 AromaticContact CE2-CZ 3.78Å; F162-Y166 AromaticContact CG-CD2 3.85Å; F162-Y166 HydrophobicContact CG-CD2 3.85Å; F162-Y166 HydrophobicContact CG-CE2 4.18Å; F162-Y166 AromaticContact CZ-CD2 3.55Å; F162-Y166 HydrophobicContact CZ-CD2 3.55Å; F162-Y166 HydrophobicContact CZ-CE1 4.44Å; F162-Y166 AromaticContact CZ-CE2 3.48Å; F162-Y166 HydrophobicContact CZ-CE2 3.48Å; F162-Y166 VanDerWaalsContact CZ-CE2 3.48Å; F162-Y166 HydrophobicContact CZ-CG 4.09Å; F162-Y166 AromaticContact CZ-CZ 3.94Å; F162-Y166 WeakPolarHBondContact O-CB 3.46Å; F162-Y166 VanDerWaalsContact O-CD2 3.28Å; F162-Y166 WeakPolarHBondContact O-CD2 3.29Å; F162-Y166 PolarHBondContact O-N 3.18Å; Y166-K168 PolarHBondContact O-N 3.05Å; Y166-K168 VanDerWaalsContact O-N 3.12Å; Y166-T169 PolarHBondContact O-N 3.01Å; Y166-L170 WeakPolarHBondContact O-CB 3.21Å; Y166-L170 VanDerWaalsContact O-CG 3.29Å; Y166-L170 WeakPolarHBondContact O-CG 3.26Å; Y166-L170 PolarHBondContact O-N 3.09Å
167A78.4Confident79.2Confident49 Ų4995 Ų9541%0.40550%0.498SS..Hα-helixtrans-52.6-41.2-175.800000112.5L163 F164 L165 S171L163-A167 VanDerWaalsContact O-CA 3.25Å; L163-A167 WeakPolarHBondContact O-CA 3.28Å; L163-A167 VanDerWaalsContact O-CB 3.28Å; L163-A167 WeakPolarHBondContact O-CB 3.35Å; L163-A167 PolarHBondContact O-N 3.37Å; F164-A167 WeakPolarHBondContact O-CB 3.29Å; F164-A167 PolarHBondContact O-N 3.45Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-S171 WeakPolarHBondContact O-CB 3.24Å; A167-S171 PolarHBondContact O-N 2.94Å
168K73.9Confident79.3Confident154 Ų15498.1 Ų98.167%0.6751%0.508SS*.Hα-helixtrans-69.1-42.1179.6-168.7171.8-177.8170.20112.3Y166 Q172Y166-K168 PolarHBondContact O-N 3.05Å; Y166-K168 VanDerWaalsContact O-N 3.12Å; K168-Q172 WeakPolarHBondContact O-CG 3.31Å; K168-Q172 PolarHBondContact O-N 2.89Å
169T72.4Confident79.3Confident93 Ų9397.6 Ų97.657%0.57151%0.507SS*.Hα-helixtrans-71.5-42.1179.4-48.80000111.3Y166 Q172 S173Y166-T169 PolarHBondContact O-N 3.01Å; T169-Q172 PolarHBondContact O-N 3.27Å; T169-S173 PolarHBondContact O-N 2.97Å
170L70.7Confident79.1Confident36 Ų3697 Ų9719%0.18851%0.506CS..Hα-helixtrans-67.6-44.1178-70169.4000111.3L163 Y166 Q172 S173 F176L163-L170 HydrophobicContact CD2-CD1 3.99Å; Y166-L170 WeakPolarHBondContact O-CB 3.21Å; Y166-L170 VanDerWaalsContact O-CG 3.29Å; Y166-L170 WeakPolarHBondContact O-CG 3.26Å; Y166-L170 PolarHBondContact O-N 3.09Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 3.33Å; L170-S173 PolarHBondContact O-N 3.03Å; L170-S173 PolarHBondContact O-OG 3.45Å; L170-F176 HydrophobicContact CB-CD1 3.73Å; L170-F176 HydrophobicContact CB-CD2 4.43Å; L170-F176 HydrophobicContact CB-CE1 3.88Å; L170-F176 HydrophobicContact CB-CG 4.01Å; L170-F176 HydrophobicContact CB-CZ 4.29Å; L170-F176 HydrophobicContact CD1-CE2 4.29Å; L170-F176 HydrophobicContact CD1-CZ 4.18Å; L170-F176 HydrophobicContact CD2-CB 4.4Å; L170-F176 HydrophobicContact CD2-CD1 4.47Å; L170-F176 HydrophobicContact CD2-CD2 3.66Å; L170-F176 HydrophobicContact CD2-CE2 3.94Å; L170-F176 HydrophobicContact CD2-CG 3.93Å; L170-F176 HydrophobicContact CD2-CZ 4.47Å; L170-F176 HydrophobicContact CG-CD2 4.49Å; L170-F176 HydrophobicContact CG-CE2 4.49Å; L170-F176 WeakPolarHBondContact O-CB 3.33Å
171S70.3Confident79Confident92 Ų9297.2 Ų97.264%0.64351%0.508SS*.Hα-helixtrans-66.2-26.2178.8-177.90000113.5A167A167-S171 WeakPolarHBondContact O-CB 3.24Å; A167-S171 PolarHBondContact O-N 2.94Å
172Q79.4Confident78.8Confident145 Ų14596.8 Ų96.868%0.67851%0.509SS*.Hα-helixtrans-87.2-18.5176.7-73-179.4-7.500112.7K168 T169 L170 P174K168-Q172 WeakPolarHBondContact O-CG 3.31Å; K168-Q172 PolarHBondContact O-N 2.89Å; T169-Q172 PolarHBondContact O-N 3.27Å; L170-Q172 VanDerWaalsContact C-N 3.26Å; L170-Q172 PolarHBondContact O-N 3.33Å; Q172-P174 WeakPolarHBondContact O-CD 3.35Å
173S77Confident78.7Confident37 Ų3796.1 Ų96.126%0.25951%0.514SS..  trans-78.3121.9178.674.50000110.5T169 L170 V175 F176 Y177T169-S173 PolarHBondContact O-N 2.97Å; L170-S173 PolarHBondContact O-N 3.03Å; L170-S173 PolarHBondContact O-OG 3.45Å; S173-V175 VanDerWaalsContact C-N 3.25Å; S173-V175 PolarHBondContact O-N 2.91Å; S173-F176 PolarHBondContact O-N 3.47Å; S173-F176 WeakPolarHBondContact OG-CB 3.32Å; S173-Y177 PolarHBondContact O-N 3.47Å
174P77.3Confident78.5Confident88 Ų8897.3 Ų97.357%0.57152%0.521SS*.Hα-helixtrans-63.1-35.5-179.922.3-31.1000111.5Q172 F176 Y177 Y178Q172-P174 WeakPolarHBondContact O-CD 3.35Å; P174-F176 PolarHBondContact O-N 3.3Å; P174-Y177 PolarHBondContact O-N 2.98Å; P174-Y178 HydrophobicContact CB-CD2 4.45Å; P174-Y178 HydrophobicContact CB-CE2 4.36Å; P174-Y178 WeakPolarHBondContact O-CD2 3.42Å; P174-Y178 PolarHBondContact O-N 2.91Å
175V77Confident78.6Confident116 Ų11691 Ų9170%0.70350%0.502SS*.Hα-helixtrans-58.9-44.5179.8-1790000111.9S173 S179S173-V175 VanDerWaalsContact C-N 3.25Å; S173-V175 PolarHBondContact O-N 2.91Å; V175-S179 WeakPolarHBondContact O-CB 3.3Å; V175-S179 PolarHBondContact O-N 3.47Å; V175-S179 PolarHBondContact O-OG 3.45Å; V175-S179 VanDerWaalsContact O-OG 3.13Å
176F77.4Confident78.8Confident73 Ų7390 Ų9032%0.3250%0.497SS..Hα-helixtrans-69.9-37.2-179.9-174.8-100.1000112.4L163 L170 S173 P174 S179 S180L163-F176 HydrophobicContact CD2-CZ 4.45Å; L170-F176 HydrophobicContact CB-CD1 3.73Å; L170-F176 HydrophobicContact CB-CD2 4.43Å; L170-F176 HydrophobicContact CB-CE1 3.88Å; L170-F176 HydrophobicContact CB-CG 4.01Å; L170-F176 HydrophobicContact CB-CZ 4.29Å; L170-F176 HydrophobicContact CD1-CE2 4.29Å; L170-F176 HydrophobicContact CD1-CZ 4.18Å; L170-F176 HydrophobicContact CD2-CB 4.4Å; L170-F176 HydrophobicContact CD2-CD1 4.47Å; L170-F176 HydrophobicContact CD2-CD2 3.66Å; L170-F176 HydrophobicContact CD2-CE2 3.94Å; L170-F176 HydrophobicContact CD2-CG 3.93Å; L170-F176 HydrophobicContact CD2-CZ 4.47Å; L170-F176 HydrophobicContact CG-CD2 4.49Å; L170-F176 HydrophobicContact CG-CE2 4.49Å; L170-F176 WeakPolarHBondContact O-CB 3.33Å; S173-F176 PolarHBondContact O-N 3.47Å; S173-F176 WeakPolarHBondContact OG-CB 3.32Å; P174-F176 PolarHBondContact O-N 3.3Å; F176-S179 WeakPolarHBondContact CA-OG 3.48Å; F176-S179 PolarHBondContact O-OG 2.86Å; F176-S180 WeakPolarHBondContact O-CB 3.41Å; F176-S180 PolarHBondContact O-N 3.34Å
177Y78.2Confident78.9Confident169 Ų16989.7 Ų89.766%0.66350%0.501SS*.Hα-helixtrans-62.8-48176.6-176.1-95.1000111.3S173 P174 G181S173-Y177 PolarHBondContact O-N 3.47Å; P174-Y177 PolarHBondContact O-N 2.98Å; Y177-G181 PolarHBondContact O-N 3.05Å
178Y80.8Confident78.8Confident167 Ų16793.4 Ų93.466%0.65551%0.512SS*.Hα-helixtrans-65-46176.4-74.5-68.7000111.7P174 G181 T182P174-Y178 HydrophobicContact CB-CD2 4.45Å; P174-Y178 HydrophobicContact CB-CE2 4.36Å; P174-Y178 WeakPolarHBondContact O-CD2 3.42Å; P174-Y178 PolarHBondContact O-N 2.91Å; Y178-G181 PolarHBondContact O-N 2.97Å; Y178-T182 WeakPolarHBondContact O-CB 3.25Å; Y178-T182 PolarHBondContact O-N 2.97Å; Y178-T182 PolarHBondContact O-OG1 3.46Å
179S80.4Confident79.2Confident54 Ų5489.4 Ų89.438%0.37850%0.5SS..Hα-helixtrans-65-44.1-17968.20000112.5V175 F176 G181 T182 V183V175-S179 WeakPolarHBondContact O-CB 3.3Å; V175-S179 PolarHBondContact O-N 3.47Å; V175-S179 PolarHBondContact O-OG 3.45Å; V175-S179 VanDerWaalsContact O-OG 3.13Å; F176-S179 WeakPolarHBondContact CA-OG 3.48Å; F176-S179 PolarHBondContact O-OG 2.86Å; S179-G181 VanDerWaalsContact C-N 3.35Å; S179-T182 PolarHBondContact O-N 2.9Å; S179-V183 VanDerWaalsContact O-CG2 3.28Å; S179-V183 WeakPolarHBondContact O-CG2 3.26Å; S179-V183 PolarHBondContact O-N 2.69Å
180S82Confident79.3Confident62 Ų6289.4 Ų89.443%0.43450%0.497SS..Hα-helixtrans-63.6-42.2177.2-177.60000111.1F176 V183 L184F176-S180 WeakPolarHBondContact O-CB 3.41Å; F176-S180 PolarHBondContact O-N 3.34Å; S180-V183 PolarHBondContact O-N 3.43Å; S180-L184 WeakPolarHBondContact O-CB 3.23Å; S180-L184 PolarHBondContact O-N 2.91Å
181G84Confident79.5Confident44 Ų4490.9 Ų90.945%0.45451%0.507SS..Hα-helixtrans-61.7-44.1175.500000112.2Y177 Y178 S179 L184 G185Y177-G181 PolarHBondContact O-N 3.05Å; Y178-G181 PolarHBondContact O-N 2.97Å; S179-G181 VanDerWaalsContact C-N 3.35Å; G181-L184 PolarHBondContact O-N 2.89Å; G181-G185 PolarHBondContact O-N 3.18Å
182T81.9Confident79.8Confident68 Ų6892.6 Ų92.642%0.41750%0.503SS..Hα-helixtrans-64.6-45.5176.9-59.20000112Y178 S179 L184 G185 I186Y178-T182 WeakPolarHBondContact O-CB 3.25Å; Y178-T182 PolarHBondContact O-N 2.97Å; Y178-T182 PolarHBondContact O-OG1 3.46Å; S179-T182 PolarHBondContact O-N 2.9Å; T182-L184 PolarHBondContact O-N 3.16Å; T182-G185 PolarHBondContact O-N 2.92Å; T182-I186 HydrophobicContact CG2-CD1 3.83Å; T182-I186 HydrophobicContact CG2-CG1 4.41Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.2Å; T182-I186 PolarHBondContact O-N 3.5Å
183V83.9Confident79.5Confident97 Ų9787.8 Ų87.859%0.58848%0.483SS*.Hα-helixtrans-62.8-43.3178.2171.90000111S179 S180 G185 I186 L187S179-V183 VanDerWaalsContact O-CG2 3.28Å; S179-V183 WeakPolarHBondContact O-CG2 3.26Å; S179-V183 PolarHBondContact O-N 2.69Å; S180-V183 PolarHBondContact O-N 3.43Å; V183-G185 VanDerWaalsContact C-N 3.33Å; V183-G185 PolarHBondContact O-N 3.38Å; V183-I186 PolarHBondContact O-N 2.79Å; V183-L187 WeakPolarHBondContact O-CB 3.33Å; V183-L187 PolarHBondContact O-N 3.27Å
184L80.7Confident79.3Confident107 Ų10790.5 Ų90.556%0.5649%0.494SS*.Hα-helixtrans-63.6-40.9176-171.768.3000111.4S180 G181 T182 L187 M188S180-L184 WeakPolarHBondContact O-CB 3.23Å; S180-L184 PolarHBondContact O-N 2.91Å; G181-L184 PolarHBondContact O-N 2.89Å; T182-L184 PolarHBondContact O-N 3.16Å; L184-L187 PolarHBondContact O-N 2.93Å; L184-M188 WeakPolarHBondContact O-CB 3.43Å; L184-M188 VanDerWaalsContact O-CG 3.23Å; L184-M188 WeakPolarHBondContact O-CG 3.1Å; L184-M188 PolarHBondContact O-N 3.06Å
185G85.6Confident78.6Confident33 Ų3390.9 Ų90.934%0.3449%0.491SS..Hα-helixtrans-60.1-50.4174.800000112.3G181 T182 V183 L187 M188 T189G181-G185 PolarHBondContact O-N 3.18Å; T182-G185 PolarHBondContact O-N 2.92Å; V183-G185 VanDerWaalsContact C-N 3.33Å; V183-G185 PolarHBondContact O-N 3.38Å; G185-L187 VanDerWaalsContact C-N 3.31Å; G185-L187 PolarHBondContact O-N 2.87Å; G185-M188 PolarHBondContact O-N 3.33Å; G185-T189 PolarHBondContact O-N 3.19Å; G185-T189 PolarHBondContact O-OG1 3.49Å; G185-T189 VanDerWaalsContact O-OG1 3.05Å
186I85.6Confident77.9Confident101 Ų10188.3 Ų88.352%0.51847%0.472SS..Hα-helixtrans-59-44.7177.2-67.4166.1000110.5T182 V183 T189 L190T182-I186 HydrophobicContact CG2-CD1 3.83Å; T182-I186 HydrophobicContact CG2-CG1 4.41Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.2Å; T182-I186 PolarHBondContact O-N 3.5Å; V183-I186 PolarHBondContact O-N 2.79Å; I186-T189 PolarHBondContact O-N 2.91Å; I186-L190 VanDerWaalsContact O-CB 3.29Å; I186-L190 WeakPolarHBondContact O-CB 3.28Å; I186-L190 PolarHBondContact O-N 3.32Å
187L79.3Confident77.1Confident98 Ų9887.4 Ų87.451%0.51348%0.478SS..Hα-helixtrans-62-45.4179.2-174.763.9000111.6V183 L184 G185 L190 V191V183-L187 WeakPolarHBondContact O-CB 3.33Å; V183-L187 PolarHBondContact O-N 3.27Å; L184-L187 PolarHBondContact O-N 2.93Å; G185-L187 VanDerWaalsContact C-N 3.31Å; G185-L187 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.44Å; L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.33Å; L187-V191 PolarHBondContact O-N 3.47Å
188M76.9Confident75.9Confident128 Ų12886.3 Ų86.363%0.63148%0.477SS*.Hα-helixtrans-62.7-43.6177.4-72.4-65.8-74.600111.9L184 G185 F192L184-M188 WeakPolarHBondContact O-CB 3.43Å; L184-M188 VanDerWaalsContact O-CG 3.23Å; L184-M188 WeakPolarHBondContact O-CG 3.1Å; L184-M188 PolarHBondContact O-N 3.06Å; G185-M188 PolarHBondContact O-N 3.33Å; M188-F192 WeakPolarHBondContact O-CB 3.43Å; M188-F192 PolarHBondContact O-N 3.15Å
189T81.6Confident74.7Confident69 Ų6985.9 Ų85.942%0.42348%0.479SS..Hα-helixtrans-63.8-42.4176-55.90000111.6G185 I186 F192 V193G185-T189 PolarHBondContact O-N 3.19Å; G185-T189 PolarHBondContact O-OG1 3.49Å; G185-T189 VanDerWaalsContact O-OG1 3.05Å; I186-T189 PolarHBondContact O-N 2.91Å; T189-F192 WeakPolarHBondContact O-CB 3.32Å; T189-F192 PolarHBondContact O-N 3.34Å; T189-V193 WeakPolarHBondContact O-CG2 3.38Å; T189-V193 PolarHBondContact O-N 3.37Å
190L74.8Confident73.1Confident94 Ų9487.9 Ų87.949%0.49248%0.482SS..Hα-helixtrans-64.8-43.9179.3-171.4131.7000111.7I186 L187 F192 V193 L194I186-L190 VanDerWaalsContact O-CB 3.29Å; I186-L190 WeakPolarHBondContact O-CB 3.28Å; I186-L190 PolarHBondContact O-N 3.32Å; L187-L190 PolarHBondContact O-N 3.44Å; L190-F192 VanDerWaalsContact C-N 3.33Å; L190-F192 PolarHBondContact O-N 2.86Å; L190-V193 PolarHBondContact O-N 3.22Å; L190-L194 HydrophobicContact CD2-CD1 3.69Å; L190-L194 HydrophobicContact CD2-CG 4.42Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.14Å; L190-L194 PolarHBondContact O-N 2.91Å
191V76.6Confident71.7Confident66 Ų6692.6 Ų92.640%0.450%0.5SS..Hα-helixtrans-60.5-44173.6171.40000110.8L187 V193 L194 L195L187-V191 VanDerWaalsContact O-CG2 3.31Å; L187-V191 WeakPolarHBondContact O-CG2 3.33Å; L187-V191 PolarHBondContact O-N 3.47Å; V191-V193 PolarHBondContact O-N 3.29Å; V191-L194 PolarHBondContact O-N 3.03Å; V191-L195 HydrophobicContact CG1-CD1 3.87Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.37Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.28Å; V191-L195 PolarHBondContact O-N 3.27Å
192F74.6Confident69.8Low129 Ų12993.7 Ų93.757%0.56650%0.5SS*.Hα-helixtrans-60.7-44.2176.8-176.7-98000112.2M188 T189 L190 L195 M196M188-F192 WeakPolarHBondContact O-CB 3.43Å; M188-F192 PolarHBondContact O-N 3.15Å; T189-F192 WeakPolarHBondContact O-CB 3.32Å; T189-F192 PolarHBondContact O-N 3.34Å; L190-F192 VanDerWaalsContact C-N 3.33Å; L190-F192 PolarHBondContact O-N 2.86Å; F192-L195 PolarHBondContact O-N 3.37Å; F192-M196 HydrophobicContact CD1-CG 4.1Å; F192-M196 HydrophobicContact CE1-CG 3.73Å; F192-M196 HydrophobicContact CE2-CE 4.33Å; F192-M196 HydrophobicContact CE2-CG 4.42Å; F192-M196 HydrophobicContact CZ-CE 4.34Å; F192-M196 HydrophobicContact CZ-CG 3.9Å; F192-M196 HydrophobicContact CZ-SD 4.24Å; F192-M196 WeakPolarHBondContact O-CB 3.25Å; F192-M196 VanDerWaalsContact O-CG 3.32Å; F192-M196 WeakPolarHBondContact O-CG 3.41Å; F192-M196 PolarHBondContact O-N 3.39Å
193V74.5Confident68.4Low43 Ų43100 Ų10026%0.26152%0.521SS..Hα-helixtrans-61.8-45.5175.9166.20000111.5T189 L190 V191 L195 M196 A197 L209T189-V193 WeakPolarHBondContact O-CG2 3.38Å; T189-V193 PolarHBondContact O-N 3.37Å; L190-V193 PolarHBondContact O-N 3.22Å; V191-V193 PolarHBondContact O-N 3.29Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 3.35Å; V193-M196 PolarHBondContact O-N 2.8Å; V193-A197 VanDerWaalsContact O-CB 3.3Å; V193-A197 WeakPolarHBondContact O-CB 3.41Å; V193-A197 PolarHBondContact O-N 3.13Å; V193-L209 HydrophobicContact CB-CD2 4.4Å; V193-L209 HydrophobicContact CG1-CD2 3.53Å; V193-L209 HydrophobicContact CG2-CD2 4.03Å
194L72Confident66.9Low95 Ų9599.4 Ų99.450%0.49753%0.527SS..Hα-helixtrans-62.9-40.2177.3-70.4173.9000111.9L190 V191 A197 K198L190-L194 HydrophobicContact CD2-CD1 3.69Å; L190-L194 HydrophobicContact CD2-CG 4.42Å; L190-L194 HydrophobicContact CG-CD1 4.48Å; L190-L194 VanDerWaalsContact O-CG 3.3Å; L190-L194 WeakPolarHBondContact O-CG 3.14Å; L190-L194 PolarHBondContact O-N 2.91Å; V191-L194 PolarHBondContact O-N 3.03Å; L194-A197 PolarHBondContact O-N 3.48Å; L194-K198 VanDerWaalsContact O-CB 3.3Å; L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 2.9Å
195L63.3Low65.8Low95 Ų9597.7 Ų97.750%0.49752%0.517SS..Hα-helixtrans-67.4-38.5175.8-71174.6000112V191 F192 V193 K199V191-L195 HydrophobicContact CG1-CD1 3.87Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.37Å; V191-L195 VanDerWaalsContact O-CG 3.25Å; V191-L195 WeakPolarHBondContact O-CG 3.28Å; V191-L195 PolarHBondContact O-N 3.27Å; F192-L195 PolarHBondContact O-N 3.37Å; V193-L195 VanDerWaalsContact C-N 3.34Å; V193-L195 PolarHBondContact O-N 3.35Å; L195-K199 VanDerWaalsContact O-CB 3.23Å; L195-K199 WeakPolarHBondContact O-CB 3.1Å; L195-K199 PolarHBondContact O-N 3.01Å
196M61.7Low64.4Low62 Ų62106 Ų10631%0.30554%0.538SS..Hα-helixtrans-67.1-43.9173.8-76-66.611100111.8F192 V193 K198 K199 H200F192-M196 HydrophobicContact CD1-CG 4.1Å; F192-M196 HydrophobicContact CE1-CG 3.73Å; F192-M196 HydrophobicContact CE2-CE 4.33Å; F192-M196 HydrophobicContact CE2-CG 4.42Å; F192-M196 HydrophobicContact CZ-CE 4.34Å; F192-M196 HydrophobicContact CZ-CG 3.9Å; F192-M196 HydrophobicContact CZ-SD 4.24Å; F192-M196 WeakPolarHBondContact O-CB 3.25Å; F192-M196 VanDerWaalsContact O-CG 3.32Å; F192-M196 WeakPolarHBondContact O-CG 3.41Å; F192-M196 PolarHBondContact O-N 3.39Å; V193-M196 PolarHBondContact O-N 2.8Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 2.96Å; M196-K199 PolarHBondContact O-N 3.34Å; M196-K199 VanDerWaalsContact O-N 3.16Å; M196-H200 PolarHBondContact O-N 2.96Å
197A59.8Low63.1Low55 Ų55112.2 Ų112.246%0.45556%0.555SS.*Hα-helixtrans-62.8-38.117600000111.8V193 L194V193-A197 VanDerWaalsContact O-CB 3.3Å; V193-A197 WeakPolarHBondContact O-CB 3.41Å; V193-A197 PolarHBondContact O-N 3.13Å; L194-A197 PolarHBondContact O-N 3.48Å
198K54.8Low62Low146 Ų146112.7 Ų112.764%0.63556%0.557SS**Hα-helixtrans-68.8-34.3173.6-174.8177.9174.2175.50112.6L194 M196L194-K198 VanDerWaalsContact O-CB 3.3Å; L194-K198 WeakPolarHBondContact O-CB 3.43Å; L194-K198 PolarHBondContact O-N 2.9Å; M196-K198 VanDerWaalsContact C-N 3.32Å; M196-K198 PolarHBondContact O-N 2.96Å
199K55.3Low61.3Low158 Ų158110.1 Ų110.169%0.68755%0.546SS*.Hα-helixtrans-87.2-18.5-176.3-171.5161.6177.4168.40113.7L195 M196L195-K199 VanDerWaalsContact O-CB 3.23Å; L195-K199 WeakPolarHBondContact O-CB 3.1Å; L195-K199 PolarHBondContact O-N 3.01Å; M196-K199 PolarHBondContact O-N 3.34Å; M196-K199 VanDerWaalsContact O-N 3.16Å
200H47.3Very low60.3Low96 Ų96112.2 Ų112.244%0.44455%0.554SS.*  trans-139.896.1-175-79.2-59.9000112M196 P202M196-H200 PolarHBondContact O-N 2.96Å; H200-P202 VanDerWaalsContact CB-CD 3.46Å; H200-P202 HydrophobicContact CB-CG 4.33Å; H200-P202 VanDerWaalsContact O-CD 3.28Å; H200-P202 WeakPolarHBondContact O-CD 3.1Å
201I51.6Low59.7Low160 Ų160114.9 Ų114.982%0.82156%0.562SS**  trans-93.583.5147.3-52.3-179.8000108.4
202P44.6Very low59.1Low68 Ų68114.6 Ų114.644%0.44256%0.561SS.*  trans-110.5128.8141.331.8-23.4000107.2H200 A204H200-P202 VanDerWaalsContact CB-CD 3.46Å; H200-P202 HydrophobicContact CB-CG 4.33Å; H200-P202 VanDerWaalsContact O-CD 3.28Å; H200-P202 WeakPolarHBondContact O-CD 3.1Å; P202-A204 PolarHBondContact O-N 2.89Å
203K52.2Low58.4Low200 Ų200111.5 Ų111.587%0.8756%0.558SS**THydrogen-bonded Turntrans-58.110.9-176.4-71.3178172.1164.60115.9
204A52.8Low57.6Low85 Ų85113.9 Ų113.970%0.70257%0.569SS**THydrogen-bonded Turntrans-97.3-15.2-175.300000114.4P202P202-A204 PolarHBondContact O-N 2.89Å
205M56.3Low57Low71 Ų71113.6 Ų113.635%0.3557%0.568SS.*  trans-106.932.5-168.8-157.3162.369.500114.6L208M205-L208 HydrophobicContact CG-CB 3.77Å; M205-L208 HydrophobicContact CG-CD1 4.24Å; M205-L208 HydrophobicContact SD-CD1 4.5Å
206W57.7Low56.8Low208 Ų208112.1 Ų112.179%0.78856%0.564SS**Hα-helixtrans-78.9-30.7170.9-79.560.1000111.9L208W206-L208 PolarHBondContact O-N 3.48Å
207W56.9Low56.7Low231 Ų231113.9 Ų113.988%0.87558%0.578SS**Hα-helixtrans-73.4-25.1-177.7-67.171.4000113.9
208L57.7Low56.6Low108 Ų108115.1 Ų115.157%0.56558%0.58SS**Hα-helixtrans-81.7-26.1-178.2-119.6152.2000112.2M205 W206 F211 V212M205-L208 HydrophobicContact CG-CB 3.77Å; M205-L208 HydrophobicContact CG-CD1 4.24Å; M205-L208 HydrophobicContact SD-CD1 4.5Å; W206-L208 PolarHBondContact O-N 3.48Å; L208-F211 PolarHBondContact O-N 3.1Å; L208-V212 HydrophobicContact CD2-CG2 4.3Å; L208-V212 WeakPolarHBondContact O-CG2 3.32Å; L208-V212 PolarHBondContact O-N 2.89Å
209L60.4Low57Low73 Ų73111.8 Ų111.838%0.38257%0.572SS.*Hα-helixtrans-72.3-38.8177.1-81.5162.7000112.2V193 F211 V212 A213V193-L209 HydrophobicContact CB-CD2 4.4Å; V193-L209 HydrophobicContact CG1-CD2 3.53Å; V193-L209 HydrophobicContact CG2-CD2 4.03Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.48Å; L209-V212 PolarHBondContact O-N 3.36Å; L209-A213 VanDerWaalsContact O-CB 3.28Å; L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.07Å
210D60.7Low57.3Low113 Ų113107.3 Ų107.360%0.60456%0.558SS**Hα-helixtrans-59.9-43.1172.5-117.7-50.2000111L214D210-L214 WeakPolarHBondContact O-CB 3.27Å; D210-L214 WeakPolarHBondContact O-CD1 3.44Å; D210-L214 WeakPolarHBondContact O-CG 3.44Å; D210-L214 PolarHBondContact O-N 2.87Å
211F62Low57.9Low150 Ų150104.4 Ų104.466%0.65855%0.553SS**Hα-helixtrans-68.9-39.1-179.3-138.2-90.6000113.2L208 L209 L215L208-F211 PolarHBondContact O-N 3.1Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.48Å; F211-L215 HydrophobicContact CD1-CD1 4.33Å; F211-L215 PolarHBondContact O-N 3.05Å
212V65.4Low58.2Low61 Ų61102.5 Ų102.537%0.3754%0.544SS..Hα-helixtrans-76.2-31.3179.2171.50000112.1L208 L209 P216L208-V212 HydrophobicContact CD2-CG2 4.3Å; L208-V212 WeakPolarHBondContact O-CG2 3.32Å; L208-V212 PolarHBondContact O-N 2.89Å; L209-V212 PolarHBondContact O-N 3.36Å; V212-P216 WeakPolarHBondContact O-CD 3.44Å
213A59.3Low58.8Low63 Ų63105 Ų10552%0.52155%0.553SS.*Hα-helixtrans-70.9-29.8174.500000112.8L209L209-A213 VanDerWaalsContact O-CB 3.28Å; L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.07Å
214L58.1Low59.1Low93 Ų93101.4 Ų101.449%0.48754%0.543SS..Hα-helixtrans-82.2-24.2-179.9-82.7160.6000114.4D210 V217 T218D210-L214 WeakPolarHBondContact O-CB 3.27Å; D210-L214 WeakPolarHBondContact O-CD1 3.44Å; D210-L214 WeakPolarHBondContact O-CG 3.44Å; D210-L214 PolarHBondContact O-N 2.87Å; L214-V217 PolarHBondContact O-N 2.94Å; L214-T218 WeakPolarHBondContact O-CB 3.29Å; L214-T218 WeakPolarHBondContact O-CG2 3.23Å; L214-T218 PolarHBondContact O-N 3.27Å; L214-T218 PolarHBondContact O-OG1 3.24Å
215L59.4Low59.3Low89 Ų89103.8 Ų103.847%0.46654%0.541SS..Hα-helixtrans-61.2-47.4-179.8-105.9150000114.6F211 T218 V219F211-L215 HydrophobicContact CD1-CD1 4.33Å; F211-L215 PolarHBondContact O-N 3.05Å; L215-T218 PolarHBondContact O-OG1 2.93Å; L215-V219 HydrophobicContact CD2-CG2 4.41Å; L215-V219 WeakPolarHBondContact O-CB 3.4Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 3.32Å
216P59.1Low59.2Low64 Ų64108.9 Ų108.942%0.41656%0.557SS.*Hα-helixtrans-69.8-34.8176.823.7-29.8000112.3V212 T220V212-P216 WeakPolarHBondContact O-CD 3.44Å; P216-T220 VanDerWaalsContact O-CB 3.24Å; P216-T220 WeakPolarHBondContact O-CB 3.33Å; P216-T220 PolarHBondContact O-N 3.5Å; P216-T220 PolarHBondContact O-OG1 3.4Å
217V58.8Low58.8Low100 Ų100100.4 Ų100.461%0.60653%0.534SS*.Hα-helixtrans-68.4-41.1179.9-178.30000111.4L214 G221L214-V217 PolarHBondContact O-N 2.94Å; V217-G221 PolarHBondContact O-N 3.26Å
218T58.6Low58.4Low81 Ų8192.3 Ų92.350%0.49752%0.516SS..Hα-helixtrans-72.7-40.8177.647.70000112.4L214 L215 L222L214-T218 WeakPolarHBondContact O-CB 3.29Å; L214-T218 WeakPolarHBondContact O-CG2 3.23Å; L214-T218 PolarHBondContact O-N 3.27Å; L214-T218 PolarHBondContact O-OG1 3.24Å; L215-T218 PolarHBondContact O-OG1 2.93Å; T218-L222 VanDerWaalsContact O-CB 3.26Å; T218-L222 WeakPolarHBondContact O-CB 3.32Å; T218-L222 PolarHBondContact O-N 2.84Å
219V61.8Low58Low75 Ų7594 Ų9446%0.45552%0.521SS..Hα-helixtrans-71.1-40.9179.41740000111.8L215 L222 L223L215-V219 HydrophobicContact CD2-CG2 4.41Å; L215-V219 WeakPolarHBondContact O-CB 3.4Å; L215-V219 WeakPolarHBondContact O-CG2 3.41Å; L215-V219 PolarHBondContact O-N 3.32Å; V219-L222 PolarHBondContact O-N 2.98Å; V219-L223 HydrophobicContact CG1-CD1 3.99Å; V219-L223 WeakPolarHBondContact O-CB 3.06Å; V219-L223 PolarHBondContact O-N 3.25Å
220T62.6Low57.5Low65 Ų6595.5 Ų95.540%0.39953%0.534SS..Hα-helixtrans-68.8-38.9175-57.50000111.7P216 L223 L224P216-T220 VanDerWaalsContact O-CB 3.24Å; P216-T220 WeakPolarHBondContact O-CB 3.33Å; P216-T220 PolarHBondContact O-N 3.5Å; P216-T220 PolarHBondContact O-OG1 3.4Å; T220-L223 PolarHBondContact O-N 3.37Å; T220-L224 HydrophobicContact CG2-CD1 4.25Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.32Å
221G60.8Low56.9Low34 Ų3499.2 Ų99.235%0.35154%0.544SS..Hα-helixtrans-62.6-41.6172.600000113.2V217 L224 M225V217-G221 PolarHBondContact O-N 3.26Å; G221-L224 PolarHBondContact O-N 3.44Å; G221-M225 WeakPolarHBondContact O-CG 3.33Å; G221-M225 PolarHBondContact O-N 3.02Å
222L57.1Low56.1Low120 Ų12097.1 Ų97.163%0.62855%0.548SS*.Hα-helixtrans-69.1-36.7178-156.180.4000112.2T218 V219 R226T218-L222 VanDerWaalsContact O-CB 3.26Å; T218-L222 WeakPolarHBondContact O-CB 3.32Å; T218-L222 PolarHBondContact O-N 2.84Å; V219-L222 PolarHBondContact O-N 2.98Å; L222-R226 WeakPolarHBondContact O-CB 3.45Å; L222-R226 PolarHBondContact O-N 3.32Å
223L57.6Low55.3Low120 Ų12099.9 Ų99.963%0.62857%0.569SS**Hα-helixtrans-68.2-37.4174.7-90.7157.2000112.6V219 T220 G227V219-L223 HydrophobicContact CG1-CD1 3.99Å; V219-L223 WeakPolarHBondContact O-CB 3.06Å; V219-L223 PolarHBondContact O-N 3.25Å; T220-L223 PolarHBondContact O-N 3.37Å; L223-G227 PolarHBondContact O-N 3.29Å
224L57.6Low54.7Low125 Ų125100.1 Ų100.165%0.65458%0.578SS**Hα-helixtrans-69.3-39.9175.5-72.9172.6000112T220 G221 G227 A228T220-L224 HydrophobicContact CG2-CD1 4.25Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.32Å; G221-L224 PolarHBondContact O-N 3.44Å; L224-G227 PolarHBondContact O-N 3.02Å; L224-A228 PolarHBondContact O-N 2.97Å; L224-A228 VanDerWaalsContact O-N 3.09Å
225M56.6Low54.2Low136 Ų136105.5 Ų105.567%0.6762%0.618SS**Hα-helixtrans-66.2-42.8175.5-71.3-73-80.500111.9G221 G227 A228 E229G221-M225 WeakPolarHBondContact O-CG 3.33Å; G221-M225 PolarHBondContact O-N 3.02Å; M225-G227 PolarHBondContact O-N 3.12Å; M225-A228 PolarHBondContact O-N 2.77Å; M225-E229 PolarHBondContact O-N 3.37Å
226R54.1Low53.9Low178 Ų178106.3 Ų106.367%0.67263%0.626SS**Hα-helixtrans-66.7-35176.1-122.9171.2-175169.91.1113L222 A228 T230L222-R226 WeakPolarHBondContact O-CB 3.45Å; L222-R226 PolarHBondContact O-N 3.32Å; R226-A228 VanDerWaalsContact C-N 3.35Å; R226-T230 PolarHBondContact O-N 2.86Å; R226-T230 PolarHBondContact O-OG1 3.47Å
227G49Very low53.6Low30 Ų30108.5 Ų108.531%0.30964%0.637SS.*Hα-helixtrans-66.4-34.717400000113L223 L224 M225 T230 F231L223-G227 PolarHBondContact O-N 3.29Å; L224-G227 PolarHBondContact O-N 3.02Å; M225-G227 PolarHBondContact O-N 3.12Å; G227-T230 WeakPolarHBondContact CA-OG1 3.07Å; G227-T230 PolarHBondContact O-OG1 2.9Å; G227-F231 PolarHBondContact O-N 3.18Å
228A49.9Very low53.3Low60 Ų60109 Ų10950%0.49664%0.638SS.*Hα-helixtrans-70.8-37.3176.300000112.9L224 M225 R226 T230 F231 S232L224-A228 PolarHBondContact O-N 2.97Å; L224-A228 VanDerWaalsContact O-N 3.09Å; M225-A228 PolarHBondContact O-N 2.77Å; R226-A228 VanDerWaalsContact C-N 3.35Å; A228-T230 VanDerWaalsContact C-N 3.35Å; A228-F231 PolarHBondContact O-N 3.18Å; A228-S232 PolarHBondContact O-N 2.8Å
229E48.8Very low53Low143 Ų143110.6 Ų110.667%0.66865%0.647SS**Hα-helixtrans-66.9-35.5174.8-72-176.6116.800112M225 F231 S232M225-E229 PolarHBondContact O-N 3.37Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.26Å; E229-S232 PolarHBondContact O-N 3.37Å
230T49.8Very low52.5Low106 Ų106112.9 Ų112.965%0.6566%0.659SS**Hα-helixtrans-72.2-16.4176.651.10000114.5R226 G227 A228R226-T230 PolarHBondContact O-N 2.86Å; R226-T230 PolarHBondContact O-OG1 3.47Å; G227-T230 WeakPolarHBondContact CA-OG1 3.07Å; G227-T230 PolarHBondContact O-OG1 2.9Å; A228-T230 VanDerWaalsContact C-N 3.35Å
231F47.8Very low51.8Low190 Ų190116.1 Ų116.183%0.83368%0.676SS**THydrogen-bonded Turntrans-91.4-9.1174.7-100.5-89.2000113.6G227 A228 E229G227-F231 PolarHBondContact O-N 3.18Å; A228-F231 PolarHBondContact O-N 3.18Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.26Å
232S46.1Very low51.2Low106 Ų106121.9 Ų121.974%0.74170%0.699SS**SBendtrans-96.10.8179.4-990000115.2A228 E229A228-S232 PolarHBondContact O-N 2.8Å; E229-S232 PolarHBondContact O-N 3.37Å
233C48.2Very low50.7Low120 Ų120122.1 Ų122.181%0.81171%0.705SS**  trans-119.480.3172.7-81.90000110.7
234G45.9Very low50.1Low67 Ų67122.3 Ų122.369%0.69171%0.711SS**  trans-131120.1160.800000108.9
235P47.8Very low49.5Very low206 Ų206122 Ų122100%1.33872%0.716SS**  trans-69.90166.230.5-33.1000112.2

Retrieved 235 of 235 residues in 864.3 ms (Link to these results)