A0A087WZG9_HUMAN Loading...

Retrotransposon-derived protein PEG10

AlphaFold DB , UniProt , Accession A0A087WZG9, Species HUMAN (Homo sapiens, Human), Gene PEG10, Length 359 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
1M51.9Low62.4Low251 Ų251128.9 Ų128.9100%1.23681%0.813SS**  093.40-62.6-148.5-179.100106.7
2G43.7Very low62.9Low71 Ų71127.8 Ų127.873%0.73281%0.808SS**  trans-99.5-163.617500000110.6
3P56.3Low63.2Low121 Ų121126.6 Ų126.679%0.78680%0.802SS**  cis-131179.7-4730.7-11.8000111.1C5P3-C5 PolarHBondContact O-N 3.48Å
4D56Low62.5Low155 Ų155126.5 Ų126.583%0.82980%0.802SS**  trans-21120.1168.8-63.7-85.5000117.3P6D4-P6 WeakPolarHBondContact O-CD 3.35Å
5C54.4Low61.2Low125 Ų125126.9 Ų126.985%0.84580%0.796SS**PPolyproline II helixtrans-75.7118.8161.4-80.80000108.9P3P3-C5 PolarHBondContact O-N 3.48Å
6P68.3Low60.3Low112 Ų112127.9 Ų127.973%0.72779%0.794SS**PPolyproline II helixtrans-72.8151.6175.130.3-32.2000110.7D4D4-P6 WeakPolarHBondContact O-CD 3.35Å
7P71.6Confident59.1Low114 Ų114127.7 Ų127.774%0.7479%0.787SS**PPolyproline II helixtrans-66153.5174.727.7-33.5000111.5
8P70.1Confident58.4Low119 Ų119128.7 Ų128.777%0.77379%0.786SS**PPolyproline II helixtrans-64.5147-179.127.1-33.8000111.5
9P72.5Confident57.6Low118 Ų118129.2 Ų129.277%0.76678%0.783SS**PPolyproline II helixtrans-67.9151.8-178.627.9-33.9000111.9
10P72.9Confident56.7Low116 Ų116131.4 Ų131.475%0.75379%0.791SS**PPolyproline II helixtrans-65.3153.2175.827.5-33.6000111.5
11P68.7Low56Low116 Ų116131.9 Ų131.975%0.75379%0.789SS**PPolyproline II helixtrans-63147.5179.526.5-33.5000111.2
12P68.1Low55.3Low116 Ų116124.8 Ų124.875%0.75376%0.764SS**PPolyproline II helixtrans-64.4147.9-179.826.7-33.2000111.1
13P67.1Low55.3Low112 Ų112130.7 Ų130.773%0.72777%0.77SS**PPolyproline II helixtrans-62.5153.1174.727-33.2000110.6N15P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 VanDerWaalsContact O-N 3.16Å
14P53.1Low54.5Low125 Ų125132.7 Ų132.781%0.81277%0.768SS**PPolyproline II helixtrans-59.5124.4-178.423.8-31.8000110N16P14-N16 PolarHBondContact O-N 3.22Å
15N43Very low53.9Low133 Ų133131.1 Ų131.171%0.71176%0.764SS**  trans-60.597178.1-173.426.4000109.7P13 N17P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 VanDerWaalsContact O-N 3.16Å; N15-N17 PolarHBondContact O-N 3.04Å
16N48Very low53.4Low143 Ų143128.5 Ų128.577%0.76576%0.759SS**  trans-78.580.5174-157.626000108.5P14 N18P14-N16 PolarHBondContact O-N 3.22Å; N16-N18 PolarHBondContact O-N 3.15Å
17N40Very low52Low124 Ų124132.3 Ų132.366%0.66377%0.767SS**  trans-79.368.7-176.8-141.121.7000110N15 N19N15-N17 PolarHBondContact O-N 3.04Å; N17-N19 PolarHBondContact O-N 3.49Å
18N45.1Very low51.2Low146 Ų146137.1 Ų137.178%0.78178%0.776SS**  trans-9682.2168.9-109.6-2.9000108.9N16N16-N18 PolarHBondContact O-N 3.15Å
19N43.1Very low49.7Very low137 Ų137137.2 Ų137.273%0.73378%0.779SS**  trans-119.489.1171.9-135.24.1000108.7N17N17-N19 PolarHBondContact O-N 3.49Å
20N39.5Very low48.6Very low173 Ų173136 Ų13693%0.92578%0.779SS**  trans-127.488.9162.2-93.5-18.8000108.4
21N43.8Very low47.5Very low142 Ų142135.9 Ų135.976%0.75978%0.78SS**  trans-89.4107.3163-163.615.7000107.5
22S37.1Very low46.6Very low102 Ų102136.1 Ų136.171%0.71378%0.779SS**  trans-140.690.6157.4-168.20000108.7H24S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 VanDerWaalsContact O-N 3.16Å
23K42.2Very low45.7Very low196 Ų196134.8 Ų134.885%0.85277%0.77SS**  trans-71.295.8161.8-85.3179.6174.3176.30107.6
24H40.2Very low45.2Very low162 Ų162134 Ų13475%0.7576%0.76SS**  trans-105.2116156.3-116.6-56.8000109.8S22S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 VanDerWaalsContact O-N 3.16Å
25T42.6Very low45.3Very low122 Ų122134.3 Ų134.375%0.74875%0.752SS**  trans-1.4125.5151.950.10000116.9
26G44.5Very low46.5Very low71 Ų71132.8 Ų132.873%0.73275%0.748SS**  trans-62.9140.3-175.900000115.4
27H39.8Very low47.7Very low192 Ų192130.8 Ų130.889%0.88973%0.734SS**  trans-135132.1143.6-85.1-52.2000108.7S29H27-S29 PolarHBondContact O-N 3.38Å
28K54.7Low49.4Very low215 Ų215131.4 Ų131.494%0.93573%0.727SS**  trans-55.7125.5173.7-71.4170.4172.4176.20109.4
29S37.3Very low51.1Low121 Ų121133 Ų13385%0.84672%0.722SS**  trans-144.7129.5149.9-152.40000109.3H27H27-S29 PolarHBondContact O-N 3.38Å
30A49.4Very low53Low92 Ų92133.8 Ų133.876%0.7672%0.715SS**  trans-74.5149.9-175.900000111.4
31C50Low55.2Low114 Ų114129.9 Ų129.977%0.7769%0.694SS**  trans70.981.3153.7-156.50000118.3
32V50.4Low57.4Low120 Ų120128.4 Ų128.473%0.72768%0.682SS**  trans-152.383.2144.3-162.20000112.1M35V32-M35 HydrophobicContact CG1-CB 4.34Å; V32-M35 HydrophobicContact CG1-CG 4.09Å
33P49.3Very low59.8Low89 Ų89127.9 Ų127.958%0.57867%0.671SS**SBendtrans-97.2-16.9161.7-4.223.9000113.4
34N56.8Low62Low94 Ų94121 Ų12150%0.50365%0.647SS.*Hα-helixtrans-93.9-15.2-157-154.5-10.9000115.4R38N34-R38 VanDerWaalsContact O-CB 3.29Å; N34-R38 WeakPolarHBondContact O-CB 3.44Å; N34-R38 PolarHBondContact O-N 3.38Å
35M54.6Low64.5Low133 Ų133119.3 Ų119.366%0.65564%0.64SS**Hα-helixtrans-80.1-30.8-176-66.9-61.3-152.600113.3V32 R39V32-M35 HydrophobicContact CG1-CB 4.34Å; V32-M35 HydrophobicContact CG1-CG 4.09Å; M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 3.42Å
36T67.9Low66.9Low101 Ų101119 Ų11962%0.6263%0.63SS**Hα-helixtrans-84-31.7-179.5450000113.2R40T36-R40 WeakPolarHBondContact O-CB 3.22Å; T36-R40 PolarHBondContact O-N 3.34Å; T36-R40 VanDerWaalsContact O-N 3.12Å
37E72.7Confident69.2Low100 Ų100119.6 Ų119.647%0.46762%0.615SS.*Hα-helixtrans-71.3-47.9174.1-73.5179160.500110.5R39 R40 D41E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 2.98Å; E37-R40 CarbonylContact O-C 3.58Å; E37-R40 WeakPolarHBondContact O-CA 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.05Å; E37-R40 PolarHBondContact O-N 3.27Å; E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 3.35Å
38R76.1Confident71.7Confident138 Ų138114.6 Ų114.652%0.52160%0.595SS.*Hα-helixtrans-57-40.8175.3-168.3-179.6-82.8171.2-9.5112.6N34 R40 D41 E42N34-R38 VanDerWaalsContact O-CB 3.29Å; N34-R38 WeakPolarHBondContact O-CB 3.44Å; N34-R38 PolarHBondContact O-N 3.38Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.36Å; R38-D41 PolarHBondContact O-N 2.9Å; R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.98Å
39R80.6Confident73.6Confident178 Ų178109.3 Ų109.367%0.67258%0.577SS**Hα-helixtrans-68.3-30.1174.9-167.1170-174.8-170.30.8113.3M35 E37 L43M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 3.42Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 2.98Å; R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 WeakPolarHBondContact O-CD1 3.43Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.17Å; R39-L43 VanDerWaalsContact O-N 3.16Å
40R83.2Confident76.3Confident155 Ų155108.2 Ų108.259%0.58556%0.562SS**Hα-helixtrans-71.5-38.8173.7-177.7-170.9-69.1150.5-2.4110.8T36 E37 R38 S44T36-R40 WeakPolarHBondContact O-CB 3.22Å; T36-R40 PolarHBondContact O-N 3.34Å; T36-R40 VanDerWaalsContact O-N 3.12Å; E37-R40 CarbonylContact O-C 3.58Å; E37-R40 WeakPolarHBondContact O-CA 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.05Å; E37-R40 PolarHBondContact O-N 3.27Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.36Å; R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 3.4Å
41D86.7Confident78.4Confident91 Ų91111.6 Ų111.649%0.48756%0.555SS.*Hα-helixtrans-68.2-44.7177.9-62.2-23.8000110.6E37 R38 L43 S44 E45E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 3.35Å; R38-D41 PolarHBondContact O-N 2.9Å; D41-L43 PolarHBondContact O-N 2.87Å; D41-S44 WeakPolarHBondContact O-CB 3.38Å; D41-S44 PolarHBondContact O-N 3.2Å; D41-E45 PolarHBondContact O-N 3.13Å
42E88.7Confident80.6Confident111 Ų111112.5 Ų112.552%0.51955%0.547SS..Hα-helixtrans-56.6-46.6173.2-74.2166.9-168.500112.2R38 S44 E45 E46R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.98Å; E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 3.35Å; E42-E45 PolarHBondContact O-N 3.18Å; E42-E46 PolarHBondContact O-N 2.96Å
43L87.8Confident82.7Confident90 Ų90114 Ų11447%0.47154%0.544SS..Hα-helixtrans-65.4-32.9176-74.3169.9000112.4R39 D41 E46 I47R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 WeakPolarHBondContact O-CD1 3.43Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.17Å; R39-L43 VanDerWaalsContact O-N 3.16Å; D41-L43 PolarHBondContact O-N 2.87Å; L43-E46 PolarHBondContact O-N 3.36Å; L43-I47 WeakPolarHBondContact O-CB 3.21Å; L43-I47 WeakPolarHBondContact O-CD1 3.41Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.34Å
44S88.6Confident84.9Confident51 Ų51114.2 Ų114.236%0.35754%0.544SS..Hα-helixtrans-71.6-39.1178.6-60.10000111.5R40 D41 E42 I47 N48R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 3.4Å; D41-S44 WeakPolarHBondContact O-CB 3.38Å; D41-S44 PolarHBondContact O-N 3.2Å; E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 3.35Å; S44-I47 PolarHBondContact O-N 3.4Å; S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.24Å; S44-N48 PolarHBondContact O-ND2 3.07Å
45E93.5Very high86.7Confident127 Ų127115.6 Ų115.659%0.59355%0.549SS*.Hα-helixtrans-63.9-43.1171.8-72.3-179.9-178.300111.5D41 E42 I47 N48 N49D41-E45 PolarHBondContact O-N 3.13Å; E42-E45 PolarHBondContact O-N 3.18Å; E45-I47 PolarHBondContact O-N 2.81Å; E45-N48 PolarHBondContact O-N 3.35Å; E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 2.86Å; E45-N49 PolarHBondContact O-ND2 2.9Å
46E92.9Very high88.7Confident115 Ų115115.4 Ų115.454%0.53754%0.544SS..Hα-helixtrans-62.3-42.7176.3-168.2172.8-163.600112E42 L43 N48 N49 L50E42-E46 PolarHBondContact O-N 2.96Å; L43-E46 PolarHBondContact O-N 3.36Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 2.86Å; E46-N49 PolarHBondContact O-N 3.39Å; E46-L50 HydrophobicContact CG-CD1 4.34Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 VanDerWaalsContact O-CG 3.26Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.15Å
47I91.7Very high89.8Confident84 Ų84115.8 Ų115.843%0.43154%0.539SS..Hα-helixtrans-62.3-40.9175-72.2165.8000111.4L43 S44 E45 L50 R51L43-I47 WeakPolarHBondContact O-CB 3.21Å; L43-I47 WeakPolarHBondContact O-CD1 3.41Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.34Å; S44-I47 PolarHBondContact O-N 3.4Å; E45-I47 PolarHBondContact O-N 2.81Å; I47-L50 PolarHBondContact O-N 2.9Å; I47-R51 VanDerWaalsContact O-CG 3.28Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.78Å
48N92.7Very high90.9Very high87 Ų87113.4 Ų113.447%0.46553%0.534SS..Hα-helixtrans-67.7-42.9178.3-72.6-25.7000111.7S44 E45 E46 L50 R51 E52S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.24Å; S44-N48 PolarHBondContact O-ND2 3.07Å; E45-N48 PolarHBondContact O-N 3.35Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 2.86Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.39Å; N48-R51 WeakPolarHBondContact O-CB 3.33Å; N48-R51 PolarHBondContact O-N 3.03Å; N48-E52 PolarHBondContact O-N 3.36Å
49N95.1Very high91.8Very high104 Ų104113 Ų11356%0.55654%0.537SS*.Hα-helixtrans-60.9-40.9174.4-71.5-26.4000111.8E45 E46 E52 K53E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 2.86Å; E45-N49 PolarHBondContact O-ND2 2.9Å; E46-N49 PolarHBondContact O-N 3.39Å; N49-E52 PolarHBondContact O-N 3.24Å; N49-K53 WeakPolarHBondContact O-CB 3.46Å; N49-K53 PolarHBondContact O-N 3.47Å
50L92.8Very high92.4Very high99 Ų99109.3 Ų109.352%0.51853%0.528SS..Hα-helixtrans-65.6-39.8175.7-73.7171.7000112E46 I47 N48 K53 V54E46-L50 HydrophobicContact CG-CD1 4.34Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 VanDerWaalsContact O-CG 3.26Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.15Å; I47-L50 PolarHBondContact O-N 2.9Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.39Å; L50-K53 PolarHBondContact O-N 3Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 3.28Å
51R94.1Very high92.8Very high163 Ų163106.2 Ų106.262%0.61552%0.523SS*.Hα-helixtrans-62.7-44.5175.7-75.7169.8177.5-176.3-1.1112I47 N48 K53 V54 M55I47-R51 VanDerWaalsContact O-CG 3.28Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.78Å; N48-R51 WeakPolarHBondContact O-CB 3.33Å; N48-R51 PolarHBondContact O-N 3.03Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.41Å; R51-V54 PolarHBondContact O-N 2.87Å; R51-M55 WeakPolarHBondContact O-CG 3.46Å; R51-M55 PolarHBondContact O-N 3.1Å
52E96.1Very high93.1Very high132 Ų132106.4 Ų106.462%0.61752%0.524SS*.Hα-helixtrans-62-42.6176.9-170.3177.3-178.100111.1N48 N49 V54 M55 K56N48-E52 PolarHBondContact O-N 3.36Å; N49-E52 PolarHBondContact O-N 3.24Å; E52-V54 PolarHBondContact O-N 3.27Å; E52-M55 PolarHBondContact O-N 2.98Å; E52-K56 PolarHBondContact O-N 3.44Å
53K95.1Very high93.5Very high151 Ų151106.6 Ų106.666%0.65753%0.528SS*.Hα-helixtrans-63-39.8176.1-165.2171.5-176.1177.30112.6N49 L50 R51 Q57N49-K53 WeakPolarHBondContact O-CB 3.46Å; N49-K53 PolarHBondContact O-N 3.47Å; L50-K53 PolarHBondContact O-N 3Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.41Å; K53-Q57 VanDerWaalsContact O-CB 3.29Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 2.97Å
54V95.5Very high93.8Very high95 Ų95106.9 Ų106.958%0.57653%0.53SS*.Hα-helixtrans-65.8-41.7175.1169.10000111.3L50 R51 E52 Q57 S58L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 3.28Å; R51-V54 PolarHBondContact O-N 2.87Å; E52-V54 PolarHBondContact O-N 3.27Å; V54-Q57 PolarHBondContact O-N 2.96Å; V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3Å
55M95.1Very high93.9Very high122 Ų122110.5 Ų110.560%0.60154%0.541SS*.Hα-helixtrans-62.9-47.1176-69.5-147-55.900111.3R51 E52 Q57 S58 E59R51-M55 WeakPolarHBondContact O-CG 3.46Å; R51-M55 PolarHBondContact O-N 3.1Å; E52-M55 PolarHBondContact O-N 2.98Å; M55-Q57 VanDerWaalsContact C-N 3.32Å; M55-Q57 PolarHBondContact O-N 2.84Å; M55-S58 WeakPolarHBondContact O-CB 3.35Å; M55-S58 PolarHBondContact O-N 3.33Å; M55-S58 PolarHBondContact O-OG 3.28Å; M55-E59 WeakPolarHBondContact O-CG 3.3Å; M55-E59 PolarHBondContact O-N 3.36Å
56K95.5Very high94Very high130 Ų130108 Ų10857%0.56554%0.538SS*.Hα-helixtrans-59.6-43.3176.4-169.7178.7179.7-179.70112.2E52 S58 E59 E60E52-K56 PolarHBondContact O-N 3.44Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.03Å; K56-E59 PolarHBondContact O-N 3.35Å; K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 3.38Å
57Q92.5Very high94.1Very high108 Ų108108 Ų10851%0.50554%0.538SS..Hα-helixtrans-65.9-33.5176.5-169.5167.815.100112.1K53 V54 M55 N61K53-Q57 VanDerWaalsContact O-CB 3.29Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 2.97Å; V54-Q57 PolarHBondContact O-N 2.96Å; M55-Q57 VanDerWaalsContact C-N 3.32Å; M55-Q57 PolarHBondContact O-N 2.84Å; Q57-N61 WeakPolarHBondContact O-CB 3.49Å; Q57-N61 VanDerWaalsContact O-CG 3.24Å; Q57-N61 PolarHBondContact O-N 3.35Å; Q57-N61 PolarHBondContact O-ND2 3.36Å
58S93.8Very high94.3Very high51 Ų51108.3 Ų108.336%0.35754%0.544SS..Hα-helixtrans-67.9-38.2174.678.30000112.3V54 M55 K56 N61 N62V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3Å; M55-S58 WeakPolarHBondContact O-CB 3.35Å; M55-S58 PolarHBondContact O-N 3.33Å; M55-S58 PolarHBondContact O-OG 3.28Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.03Å; S58-N61 PolarHBondContact O-N 2.93Å; S58-N62 VanDerWaalsContact O-CG 3.25Å; S58-N62 PolarHBondContact O-N 3.06Å; S58-N62 PolarHBondContact O-ND2 2.97Å
59E96.1Very high94.3Very high128 Ų128109.8 Ų109.860%0.59855%0.548SS*.Hα-helixtrans-65.5-44.1174.3-70.5173.5-17900111.3M55 K56 N61 N62 N63M55-E59 WeakPolarHBondContact O-CG 3.3Å; M55-E59 PolarHBondContact O-N 3.36Å; K56-E59 PolarHBondContact O-N 3.35Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-N62 PolarHBondContact O-N 2.73Å; E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 3.48Å
60E93.8Very high94.3Very high101 Ų101111.8 Ų111.847%0.47255%0.552SS.*Hα-helixtrans-60-43.9174.6-73.5173.2-171.300111.6K56 N63 L64K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 3.38Å; E60-N63 PolarHBondContact O-N 2.92Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3Å
61N90.2Very high94.3Very high91 Ų91111.2 Ų111.249%0.48755%0.548SS..Hα-helixtrans-62.8-42.8176-75.5-22.8000112.6Q57 S58 E59 N63 L64 Q65Q57-N61 WeakPolarHBondContact O-CB 3.49Å; Q57-N61 VanDerWaalsContact O-CG 3.24Å; Q57-N61 PolarHBondContact O-N 3.35Å; Q57-N61 PolarHBondContact O-ND2 3.36Å; S58-N61 PolarHBondContact O-N 2.93Å; E59-N61 PolarHBondContact O-N 2.9Å; N61-N63 VanDerWaalsContact C-N 3.31Å; N61-N63 PolarHBondContact O-N 3.32Å; N61-L64 PolarHBondContact O-N 3.46Å; N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.16Å
62N94.1Very high94.2Very high95 Ų95107.1 Ų107.151%0.50854%0.542SS..Hα-helixtrans-64-37.6176.3-72.3-28.8000111.8S58 E59 Q65 S66S58-N62 VanDerWaalsContact O-CG 3.25Å; S58-N62 PolarHBondContact O-N 3.06Å; S58-N62 PolarHBondContact O-ND2 2.97Å; E59-N62 PolarHBondContact O-N 2.73Å; N62-Q65 PolarHBondContact O-N 3.32Å; N62-S66 PolarHBondContact O-N 3.39Å; N62-S66 PolarHBondContact O-OG 3.07Å
63N96.3Very high94Very high114 Ų114105.9 Ų105.961%0.6154%0.536SS*.Hα-helixtrans-67.5-45.1176.7-170.930.3000111.5E59 E60 N61 Q65 S66 Q67E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 3.48Å; E60-N63 PolarHBondContact O-N 2.92Å; N61-N63 VanDerWaalsContact C-N 3.31Å; N61-N63 PolarHBondContact O-N 3.32Å; N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 2.95Å; N63-S66 WeakPolarHBondContact O-CB 3.47Å; N63-S66 PolarHBondContact O-N 3.49Å; N63-Q67 PolarHBondContact O-N 2.77Å
64L94.1Very high93.8Very high96 Ų96103.8 Ų103.850%0.50353%0.529SS..Hα-helixtrans-61.1-41.5174.6-72.1173.5000111.7E60 N61 S66 Q67 V68E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3Å; N61-L64 PolarHBondContact O-N 3.46Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.49Å; L64-Q67 PolarHBondContact O-N 2.95Å; L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 3.44Å
65Q91.8Very high93.2Very high127 Ų127103.9 Ų103.959%0.59353%0.526SS*.Hα-helixtrans-61.8-41.3176.2-168.9172.7600111.8N61 N62 N63 Q67 V68 Q69N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.16Å; N62-Q65 PolarHBondContact O-N 3.32Å; N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 2.95Å; Q65-Q67 VanDerWaalsContact C-N 3.33Å; Q65-Q67 PolarHBondContact O-N 3.29Å; Q65-V68 PolarHBondContact O-N 3.49Å; Q65-Q69 PolarHBondContact O-N 3.39Å
66S95.8Very high92.8Very high76 Ų76101.7 Ų101.753%0.53152%0.519SS..Hα-helixtrans-63.1-38.8174.1-57.60000112.1N62 N63 L64 Q69 K70N62-S66 PolarHBondContact O-N 3.39Å; N62-S66 PolarHBondContact O-OG 3.07Å; N63-S66 WeakPolarHBondContact O-CB 3.47Å; N63-S66 PolarHBondContact O-N 3.49Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.49Å; S66-Q69 PolarHBondContact O-N 3.24Å; S66-K70 PolarHBondContact O-N 3.45Å
67Q94.7Very high92.5Very high114 Ų11498.8 Ų98.853%0.53351%0.513SS..Hα-helixtrans-67.2-42.2177-171172.73700112.3N63 L64 Q65 Q69 K70 L71N63-Q67 PolarHBondContact O-N 2.77Å; L64-Q67 PolarHBondContact O-N 2.95Å; Q65-Q67 VanDerWaalsContact C-N 3.33Å; Q65-Q67 PolarHBondContact O-N 3.29Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 3.4Å; Q67-K70 PolarHBondContact O-N 3.14Å; Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.33Å
68V95.1Very high92.1Very high91 Ų9198 Ų9855%0.55251%0.511SS*.Hα-helixtrans-61.8-41.9175.4170.10000110.8L64 Q65 L71 T72L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 3.44Å; Q65-V68 PolarHBondContact O-N 3.49Å; V68-L71 PolarHBondContact O-N 2.98Å; V68-T72 WeakPolarHBondContact O-CB 3.5Å; V68-T72 PolarHBondContact O-N 3.38Å; V68-T72 PolarHBondContact O-OG1 3.15Å
69Q93.7Very high91.3Very high118 Ų118104.9 Ų104.955%0.55153%0.529SS*.Hα-helixtrans-63.3-44.5177.9-172.9144.61.500111.7Q65 S66 Q67 L71 T72 E73Q65-Q69 PolarHBondContact O-N 3.39Å; S66-Q69 PolarHBondContact O-N 3.24Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 3.4Å; Q69-L71 PolarHBondContact O-N 2.88Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.27Å; Q69-T72 VanDerWaalsContact O-N 3.14Å; Q69-E73 WeakPolarHBondContact O-CG 3.26Å; Q69-E73 PolarHBondContact O-N 2.96Å
70K94.8Very high90.4Very high146 Ų146106 Ų10664%0.63553%0.534SS*.Hα-helixtrans-60.6-44.2175.6-171.3178.8179.4-176.50112.7S66 Q67 T72 E73 E74S66-K70 PolarHBondContact O-N 3.45Å; Q67-K70 PolarHBondContact O-N 3.14Å; K70-T72 VanDerWaalsContact C-N 3.26Å; K70-T72 PolarHBondContact O-N 3.43Å; K70-E73 PolarHBondContact O-N 2.8Å; K70-E74 PolarHBondContact O-N 2.85Å
71L91.9Very high89.4Confident86 Ų86108 Ų10845%0.4554%0.544SS..Hα-helixtrans-66.6-30176.8-73.7171.9000112.5Q67 V68 Q69 N75Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.33Å; V68-L71 PolarHBondContact O-N 2.98Å; Q69-L71 PolarHBondContact O-N 2.88Å; L71-N75 WeakPolarHBondContact O-CB 3.38Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 3.15Å
72T92.9Very high88.4Confident78 Ų78109.3 Ų109.348%0.47956%0.555SS.*Hα-helixtrans-69-45.6175.6-55.70000110.3V68 Q69 K70 E74 N75 T76V68-T72 WeakPolarHBondContact O-CB 3.5Å; V68-T72 PolarHBondContact O-N 3.38Å; V68-T72 PolarHBondContact O-OG1 3.15Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.27Å; Q69-T72 VanDerWaalsContact O-N 3.14Å; K70-T72 VanDerWaalsContact C-N 3.26Å; K70-T72 PolarHBondContact O-N 3.43Å; T72-E74 VanDerWaalsContact C-N 3.34Å; T72-E74 PolarHBondContact O-N 3.27Å; T72-N75 PolarHBondContact O-N 2.83Å; T72-T76 WeakPolarHBondContact O-CG2 3.35Å; T72-T76 PolarHBondContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.21Å
73E92.3Very high86.4Confident106 Ų106112.1 Ų112.150%0.49557%0.565SS.*Hα-helixtrans-63.1-38.6175.9-71.7169.8-169.500112.4Q69 K70 T76 T77Q69-E73 WeakPolarHBondContact O-CG 3.26Å; Q69-E73 PolarHBondContact O-N 2.96Å; K70-E73 PolarHBondContact O-N 2.8Å; E73-T76 VanDerWaalsContact CA-OG1 3.3Å; E73-T76 WeakPolarHBondContact CA-OG1 3.4Å; E73-T76 PolarHBondContact O-N 2.79Å; E73-T76 PolarHBondContact O-OG1 3.41Å; E73-T77 WeakPolarHBondContact O-CB 3.42Å; E73-T77 PolarHBondContact O-N 3.48Å; E73-T77 PolarHBondContact O-OG1 3.33Å
74E90.4Very high84.1Confident107 Ų107112 Ų11250%0.557%0.571SS.*Hα-helixtrans-65.9-42.5175-168171.4-17400111.2K70 T72 T76 T77 L78K70-E74 PolarHBondContact O-N 2.85Å; T72-E74 VanDerWaalsContact C-N 3.34Å; T72-E74 PolarHBondContact O-N 3.27Å; E74-T76 PolarHBondContact O-N 3.35Å; E74-T77 PolarHBondContact O-N 2.73Å; E74-L78 HydrophobicContact CG-CD1 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.35Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 3.37Å
75N81.6Confident81.4Confident96 Ų96113.1 Ų113.151%0.51358%0.582SS.*Hα-helixtrans-64.6-37174.5-89.1-72.4000113.2L71 T72 R79L71-N75 WeakPolarHBondContact O-CB 3.38Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 3.15Å; T72-N75 PolarHBondContact O-N 2.83Å; N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.16Å
76T88.2Confident79.4Confident76 Ų76112.6 Ų112.647%0.46659%0.589SS.*Hα-helixtrans-67-42.2174.950.60000111T72 E73 E74 L78 R79 E80T72-T76 WeakPolarHBondContact O-CG2 3.35Å; T72-T76 PolarHBondContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.21Å; E73-T76 VanDerWaalsContact CA-OG1 3.3Å; E73-T76 WeakPolarHBondContact CA-OG1 3.4Å; E73-T76 PolarHBondContact O-N 2.79Å; E73-T76 PolarHBondContact O-OG1 3.41Å; E74-T76 PolarHBondContact O-N 3.35Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.15Å; T76-R79 PolarHBondContact O-N 2.95Å; T76-E80 PolarHBondContact O-N 3.17Å
77T88.9Confident76.6Confident70 Ų70117.9 Ų117.943%0.42961%0.605SS.*Hα-helixtrans-65.4-36.5178.4-50.70000112.1E73 E74 Q81E73-T77 WeakPolarHBondContact O-CB 3.42Å; E73-T77 PolarHBondContact O-N 3.48Å; E73-T77 PolarHBondContact O-OG1 3.33Å; E74-T77 PolarHBondContact O-N 2.73Å; T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 3Å; T77-Q81 PolarHBondContact O-NE2 2.97Å; T77-Q81 VanDerWaalsContact O-NE2 3.14Å
78L83.5Confident73.9Confident90 Ų90120 Ų12047%0.47162%0.621SS.*Hα-helixtrans-70.4-34.1174.6-73.4171.3000112.2E74 T76 Q81 V82E74-L78 HydrophobicContact CG-CD1 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.35Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 3.37Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.15Å; L78-Q81 PolarHBondContact O-N 3.48Å; L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å
79R77.8Confident71.4Confident196 Ų196123.9 Ų123.974%0.7463%0.633SS**Hα-helixtrans-67.7-41.6174.2-77.6177.3175.2-144.7-2.2112N75 T76 Q81 V82 E83N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.16Å; T76-R79 PolarHBondContact O-N 2.95Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 2.63Å; R79-V82 PolarHBondContact O-N 3.02Å; R79-V82 VanDerWaalsContact O-N 3.1Å; R79-E83 PolarHBondContact O-N 2.65Å
80E77.3Confident68.7Low151 Ų151125 Ų12571%0.70664%0.642SS**Hα-helixtrans-64.5-29.9176.6-124.9172.8175.900112.5T76 V82T76-E80 PolarHBondContact O-N 3.17Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.02Å
81Q71.8Confident65.9Low143 Ų143125.1 Ų125.167%0.66865%0.65SS**THydrogen-bonded Turntrans-75.5-12.6174.4-77.9173.977.300114.4T77 L78 R79T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 3Å; T77-Q81 PolarHBondContact O-NE2 2.97Å; T77-Q81 VanDerWaalsContact O-NE2 3.14Å; L78-Q81 PolarHBondContact O-N 3.48Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 2.63Å
82V68.9Low63.1Low119 Ų119128.3 Ų128.372%0.72167%0.667SS**THydrogen-bonded Turntrans-107.9-3.9-175.3176.30000111.9L78 R79 E80L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; R79-V82 PolarHBondContact O-N 3.02Å; R79-V82 VanDerWaalsContact O-N 3.1Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.02Å
83E52.3Low60.7Low155 Ų155132.4 Ų132.472%0.72469%0.685SS**PPolyproline II helixtrans-82.8122.8176-159.8165.6-157.500110.9R79R79-E83 PolarHBondContact O-N 2.65Å
84P48.7Very low58.1Low111 Ų111136.1 Ų136.172%0.72170%0.702SS**PPolyproline II helixtrans-75.6137169.631.2-29.2000109.4
85T37.1Very low55.7Low120 Ų120139 Ų13974%0.73672%0.72SS**PPolyproline II helixtrans-46.8137.7173.7360000112.7E87T85-E87 PolarHBondContact O-N 3.4Å
86P49.1Very low53.4Low116 Ų116146.2 Ų146.275%0.75374%0.74SS**PPolyproline II helixtrans-76.2120.9167.831.6-27.9000108
87E37.9Very low50.9Low186 Ų186146.4 Ų146.487%0.86976%0.758SS**PPolyproline II helixtrans-88.6120.2165.5-71.7-174.7169.900108.3T85T85-E87 PolarHBondContact O-N 3.4Å
88D37.8Very low48.2Very low159 Ų159147.8 Ų147.885%0.8578%0.776SS**PPolyproline II helixtrans-66.7158.7173.4-68.1-55.3000112.3
89E43.5Very low46.1Very low173 Ų173148.7 Ų148.781%0.80880%0.797SS**PPolyproline II helixtrans-61.7145.6-175.9-53.9175.8133.100114.4
90D35.7Very low44.1Very low141 Ų141144.2 Ų144.275%0.75480%0.801SS**  157.5142.9117.2-82.9-33.4000115.6
91D35.9Very low42.2Very low149 Ų149142 Ų14280%0.79781%0.809SS**  trans63.3110.3159.3-63.7-37000121.3
92D33.5Very low40.4Very low152 Ų152139.8 Ų139.881%0.81382%0.815SS**  -174.9135.695.2-147.41.1000111.9
93I42Very low39.3Very low165 Ų165138.3 Ų138.385%0.84682%0.815SS**  trans-97.6102.5175.8-128.9160.4000107.2
94E38.4Very low39.1Very low183 Ų183136.3 Ų136.386%0.85582%0.816SS**  trans-148.6122.3158.7-137.9179.2-179.500114.8
95L40.8Very low39.1Very low168 Ų168136.4 Ų136.488%0.8882%0.816SS**  trans-50.9119.4177.7-161.578.5000114
96R33.3Very low39.6Very low247 Ų247136.1 Ų136.193%0.93282%0.816SS**  trans-165116.4144.1-112.3168.1177.8-157.6-0.8112.1
97G34.5Very low39.3Very low81 Ų81135.8 Ų135.884%0.83581%0.814SS**  trans-74.5149.7-17900000114.3
98A32.4Very low39.9Very low99 Ų99134.3 Ų134.382%0.81881%0.811SS**  trans-171.6121.4139.800000109.4
99A40.1Very low40.6Very low109 Ų109133.2 Ų133.290%0.90180%0.8SS**  trans2.9110.3158.700000118.9
100A35.4Very low41Very low102 Ų102133.5 Ų133.584%0.84380%0.802SS**  trans-150.3126.7142.500000108.5A102A100-A102 PolarHBondContact O-N 3.3Å
101A36.3Very low41.8Very low104 Ų104130.3 Ų130.386%0.8678%0.782SS**PPolyproline II helixtrans-59126.8-171.800000112.3A103A101-A103 PolarHBondContact O-N 3.41Å
102A35.8Very low42.1Very low97 Ų97125.8 Ų125.880%0.80276%0.762SS**PPolyproline II helixtrans-64.2119.1165.700000109A100A100-A102 PolarHBondContact O-N 3.3Å
103A44Very low43.1Very low87 Ų87123.7 Ų123.772%0.71976%0.757SS**PPolyproline II helixtrans-62.2137.7161.500000108.4A101A101-A103 PolarHBondContact O-N 3.41Å
104P48.7Very low43.8Very low114 Ų114124.2 Ų124.274%0.7476%0.755SS**PPolyproline II helixtrans-63.2150.3176.727.1-31.7000109.9
105P48.7Very low45.4Very low113 Ų113121 Ų12173%0.73474%0.744SS**PPolyproline II helixtrans-55.6149.5169.125.5-32.5000109.5
106P47Very low47.4Very low113 Ų113116.4 Ų116.473%0.73472%0.72SS**PPolyproline II helixtrans-54.9143.9174.925.3-32.9000108.6I108P106-I108 PolarHBondContact O-N 3.09Å; P106-I108 VanDerWaalsContact O-N 3.09Å
107P42.9Very low50Low110 Ų110105 Ų10571%0.71468%0.678SS**PPolyproline II helixtrans-58.1125.4178.3-5.818.1000107.2E109P107-E109 PolarHBondContact O-N 3.26Å
108I51.6Low52.7Low155 Ų155106.8 Ų106.880%0.79567%0.665SS**  trans-60101.4152.5-57.4166.6000102.4P106 E110P106-I108 PolarHBondContact O-N 3.09Å; P106-I108 VanDerWaalsContact O-N 3.09Å; I108-E110 PolarHBondContact O-N 2.91Å
109E53Low55.7Low135 Ų135108.6 Ų108.663%0.63165%0.654SS**  trans-59.792.9166.7-67.6-178.2174.700104.7P107 E111P107-E109 PolarHBondContact O-N 3.26Å; E109-E111 PolarHBondContact O-N 3.17Å
110E50.6Low58.4Low179 Ų179103.6 Ų103.684%0.83661%0.612SS**  trans-57.399162-80.7-174.815300104.7I108 C112I108-E110 PolarHBondContact O-N 2.91Å; E110-C112 PolarHBondContact O-N 2.84Å
111E52Low61.2Low74 Ų74102.7 Ų102.735%0.34659%0.593SS.*  trans-46.9111.2169.8-74.8176.4160.500106.5E109 P113 R143E109-E111 PolarHBondContact O-N 3.17Å; E111-P113 WeakPolarHBondContact O-CD 3.35Å; E111-R143 WeakPolarHBondContact OE1-CD 3.49Å; E111-R143 VanDerWaalsContact OE1-CG 3.28Å; E111-R143 WeakPolarHBondContact OE1-CG 3.44Å; E111-R143 IonicContact OE1-CZ 2.83Å; E111-R143 IonicContact OE1-NE 3.47Å; E111-R143 PolarHBondContact OE1-NE 2.99Å; E111-R143 IonicContact OE1-NH1 3.68Å; E111-R143 PolarHBondContact OE1-NH1 3.36Å; E111-R143 IonicContact OE2-CZ 3.64Å; E111-R143 IonicContact OE2-NH1 3.74Å; E111-R143 PolarHBondContact OE2-NH1 3.03Å
112C42.9Very low63.9Low54 Ų5498.1 Ų98.137%0.36556%0.556SS.*  trans-54.1127.5-177-171.20000107.8E110 E114 D115E110-C112 PolarHBondContact O-N 2.84Å; C112-E114 PolarHBondContact O-N 3.31Å; C112-D115 PolarHBondContact O-N 3.35Å; C112-D115 VanDerWaalsContact O-N 3.1Å
113P55.7Low66.6Low109 Ų10996.3 Ų96.371%0.70853%0.533SS*.G310 helixtrans-54.5-17.8178.8-27.134.2000114E111 D115E111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-D115 VanDerWaalsContact C-N 3.34Å
114E55.5Low68.8Low175 Ų17594.3 Ų94.382%0.81851%0.512SS*.G310 helixtrans-75.2-15.2-178.1-65.5173.3160.300114.1C112C112-E114 PolarHBondContact O-N 3.31Å
115D71.4Confident70.7Confident116 Ų11694 Ų9462%0.6251%0.505SS*.G310 helixtrans-97.8-10.7-179-73.1-49.4000114.3C112 P113 F137C112-D115 PolarHBondContact O-N 3.35Å; C112-D115 VanDerWaalsContact O-N 3.1Å; P113-D115 VanDerWaalsContact C-N 3.34Å; D115-F137 HydrophobicContact CB-CE2 4.44Å; D115-F137 WeakPolarHBondContact O-CD2 3.47Å
116L83.8Confident72.8Confident71 Ų7191.8 Ų91.837%0.37249%0.485SS..SBendtrans-72141.6-177.7-76.8163.9000111.8F137 F154 M158L116-F137 HydrophobicContact CD2-CE2 4.04Å; L116-F137 HydrophobicContact CD2-CZ 3.95Å; L116-F154 HydrophobicContact CD2-CE2 4.23Å; L116-M158 HydrophobicContact CB-CE 4.05Å; L116-M158 HydrophobicContact CD2-CE 4.4Å; L116-M158 HydrophobicContact CD2-SD 4.33Å
117P87.6Confident74.9Confident9 Ų986.8 Ų86.86%0.05845%0.452CS..PPolyproline II helixtrans-52.6152.5172.7-27.133.3000113.2Q133 F137 F154 M158P117-Q133 HydrophobicContact CB-CB 3.92Å; P117-Q133 HydrophobicContact CG-CB 4.33Å; P117-F137 HydrophobicContact CG-CB 4.04Å; P117-F137 HydrophobicContact CG-CG 4.43Å; P117-F154 HydrophobicContact CG-CE1 4.24Å; P117-F154 HydrophobicContact CG-CZ 3.77Å; P117-M158 HydrophobicContact CB-CE 3.98Å; P117-M158 HydrophobicContact CG-CE 4.36Å; P117-M158 WeakPolarHBondContact O-CE 3.16Å
118E91.9Very high77.2Confident117 Ų11784.3 Ų84.355%0.54744%0.441SS..PPolyproline II helixtrans-66.5140.5171.7-169.2175179.600110F120 M126 F130E118-F120 PolarHBondContact O-N 3.18Å; E118-M126 WeakPolarHBondContact OE2-CE 3.39Å; E118-F130 VanDerWaalsContact O-CD2 3.24Å; E118-F130 WeakPolarHBondContact O-CD2 3.32Å
119K94.8Very high79.2Confident138 Ų13879.6 Ų79.660%0.642%0.42SS*.PPolyproline II helixtrans-66.4134.3-178.7-67.8-167.4179.9-172.70111.1M158 T160K119-M158 CarbonylContact C-O 3.59Å; K119-M158 VanDerWaalsContact CA-O 3.26Å; K119-M158 WeakPolarHBondContact CA-O 3.25Å; K119-T160 HydrophobicContact CB-CG2 3.91Å; K119-T160 HydrophobicContact CD-CG2 3.57Å; K119-T160 HydrophobicContact CG-CG2 4.25Å
120F96.8Very high81.2Confident3 Ų373.4 Ų73.41%0.01339%0.391CS..BIsolated β-bridgetrans-98.6119.1-178.5-179.1-113.2000112E118 G122 N123 M126 L127 F130 M158 M159 T160 A163 M188 F192E118-F120 PolarHBondContact O-N 3.18Å; F120-G122 VanDerWaalsContact CZ-CA 3.47Å; F120-N123 WeakPolarHBondContact CE2-O 3.42Å; F120-M126 HydrophobicContact CD2-CB 4.32Å; F120-M126 HydrophobicContact CE2-CB 4.39Å; F120-L127 HydrophobicContact CE1-CD1 4.31Å; F120-L127 HydrophobicContact CE2-CB 4.1Å; F120-L127 HydrophobicContact CE2-CD1 4.37Å; F120-L127 HydrophobicContact CZ-CB 4.19Å; F120-L127 HydrophobicContact CZ-CD1 3.87Å; F120-F130 HydrophobicContact CB-CB 4.34Å; F120-F130 HydrophobicContact CB-CD1 3.85Å; F120-F130 HydrophobicContact CB-CD2 3.54Å; F120-F130 HydrophobicContact CB-CE1 3.97Å; F120-F130 HydrophobicContact CB-CE2 3.62Å; F120-F130 HydrophobicContact CB-CG 3.62Å; F120-F130 HydrophobicContact CB-CZ 3.83Å; F120-F130 HydrophobicContact CD1-CD1 4.35Å; F120-F130 HydrophobicContact CD1-CE1 4.44Å; F120-F130 HydrophobicContact CD2-CB 4.14Å; F120-F130 HydrophobicContact CD2-CD1 4.38Å; F120-F130 HydrophobicContact CD2-CG 4.2Å; F120-F130 HydrophobicContact CG-CB 4.45Å; F120-F130 AromaticContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD2 4.41Å; F120-F130 HydrophobicContact CG-CE1 4.3Å; F120-F130 HydrophobicContact CG-CG 4.01Å; F120-M158 PolarHBondContact N-O 3.06Å; F120-M159 HydrophobicContact CD1-CE 4.23Å; F120-M159 HydrophobicContact CD1-CG 4.45Å; F120-M159 CarbonylContact O-C 3.54Å; F120-M159 WeakPolarHBondContact O-CA 3.31Å; F120-T160 PolarHBondContact O-N 3.18Å; F120-T160 PolarHBondContact O-OG1 3.36Å; F120-A163 HydrophobicContact CD1-CB 3.52Å; F120-A163 HydrophobicContact CE1-CB 3.8Å; F120-A163 HydrophobicContact CG-CB 4.49Å; F120-A163 WeakPolarHBondContact O-CB 3.28Å; F120-M188 HydrophobicContact CD1-CE 3.4Å; F120-M188 VanDerWaalsContact CD1-CE 3.4Å; F120-M188 HydrophobicContact CE1-CE 3.4Å; F120-M188 VanDerWaalsContact CE1-CE 3.4Å; F120-M188 HydrophobicContact CG-CE 4.21Å; F120-M188 HydrophobicContact CZ-CE 4.19Å; F120-F192 HydrophobicContact CE1-CB 4.39Å; F120-F192 HydrophobicContact CE1-CD1 4.21Å; F120-F192 AromaticContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CE2 4.23Å; F120-F192 AromaticContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CZ-CB 4Å; F120-F192 HydrophobicContact CZ-CD1 4.25Å; F120-F192 HydrophobicContact CZ-CD2 4.35Å; F120-F192 AromaticContact CZ-CG 3.94Å; F120-F192 HydrophobicContact CZ-CG 3.94Å
121D95.3Very high83.3Confident84 Ų8467.1 Ų67.145%0.44936%0.363SS..  trans-92.9-12.1-177.872.2-19.7000114.2N123 T160 R162 A163D121-N123 VanDerWaalsContact OD1-CB 3.29Å; D121-N123 WeakPolarHBondContact OD1-CB 3.49Å; D121-N123 PolarHBondContact OD1-N 2.87Å; D121-T160 WeakPolarHBondContact CA-O 3.47Å; D121-T160 WeakPolarHBondContact CA-OG1 3.42Å; D121-R162 WeakPolarHBondContact O-CB 3.5Å; D121-R162 PolarHBondContact O-N 3.03Å; D121-R162 VanDerWaalsContact O-N 3.16Å; D121-A163 PolarHBondContact O-N 3.25Å; D121-A163 VanDerWaalsContact O-N 3.09Å
122G93Very high85.3Confident7 Ų765.8 Ų65.87%0.07236%0.364CS..SBendtrans1126.6-173.300000114.7F120F120-G122 VanDerWaalsContact CZ-CA 3.47Å
123N92.2Very high87.7Confident60 Ų6066.4 Ų66.432%0.32136%0.362SS..  trans-68.8119.8175.8-178.4-2.1000112F120 D121 D125 M126 L127F120-N123 WeakPolarHBondContact CE2-O 3.42Å; D121-N123 VanDerWaalsContact OD1-CB 3.29Å; D121-N123 WeakPolarHBondContact OD1-CB 3.49Å; D121-N123 PolarHBondContact OD1-N 2.87Å; N123-D125 PolarHBondContact O-N 3.14Å; N123-D125 VanDerWaalsContact O-N 3.16Å; N123-D125 PolarHBondContact OD1-N 3.21Å; N123-D125 VanDerWaalsContact OD1-N 3.09Å; N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.29Å; N123-M126 PolarHBondContact O-N 3Å; N123-L127 PolarHBondContact O-N 3.23Å
124P89.4Confident89.5Confident44 Ų4461.2 Ų61.229%0.28633%0.328SS..Hα-helixtrans-56.4-32.1-179.822.3-34.7000114.2M126 L127 F192 D194P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.29Å; P124-L127 WeakPolarHBondContact O-CB 3.44Å; P124-L127 PolarHBondContact O-N 3.47Å; P124-F192 WeakPolarHBondContact CA-O 3.44Å; P124-F192 VanDerWaalsContact CB-O 3.25Å; P124-F192 WeakPolarHBondContact CB-O 3.32Å; P124-D194 HydrophobicContact CB-CB 4.06Å
125D88.5Confident91.3Very high108 Ų10857.9 Ų57.958%0.57831%0.313SS*.Hα-helixtrans-68.7-30-179.3-66.7-31.2000112N123N123-D125 PolarHBondContact O-N 3.14Å; N123-D125 VanDerWaalsContact O-N 3.16Å; N123-D125 PolarHBondContact OD1-N 3.21Å; N123-D125 VanDerWaalsContact OD1-N 3.09Å
126M91.9Very high92.3Very high66 Ų6656.2 Ų56.233%0.32530%0.303SS..Hα-helixtrans-90.9-7-178.8-62.5-57.1-69.900113.3E118 F120 N123 P124 P129 F130E118-M126 WeakPolarHBondContact OE2-CE 3.39Å; F120-M126 HydrophobicContact CD2-CB 4.32Å; F120-M126 HydrophobicContact CE2-CB 4.39Å; N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.29Å; N123-M126 PolarHBondContact O-N 3Å; P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.29Å; M126-P129 WeakPolarHBondContact O-CD 3.44Å; M126-F130 WeakPolarHBondContact O-CB 3.27Å; M126-F130 PolarHBondContact O-N 3.47Å
127L92.4Very high92.7Very high9 Ų953.7 Ų53.75%0.04729%0.289CS..Hα-helixtrans-60.8-51.4-175.8176.366.3000112.5F120 N123 P124 F130 M131 M188 F192 E193F120-L127 HydrophobicContact CE1-CD1 4.31Å; F120-L127 HydrophobicContact CE2-CB 4.1Å; F120-L127 HydrophobicContact CE2-CD1 4.37Å; F120-L127 HydrophobicContact CZ-CB 4.19Å; F120-L127 HydrophobicContact CZ-CD1 3.87Å; N123-L127 PolarHBondContact O-N 3.23Å; P124-L127 WeakPolarHBondContact O-CB 3.44Å; P124-L127 PolarHBondContact O-N 3.47Å; L127-F130 PolarHBondContact O-N 3.41Å; L127-M131 HydrophobicContact CD1-CG 4.27Å; L127-M131 HydrophobicContact CD1-SD 4.09Å; L127-M131 HydrophobicContact CG-SD 4.24Å; L127-M131 VanDerWaalsContact O-CG 3.32Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.39Å; L127-M188 HydrophobicContact CD1-CE 3.65Å; L127-M188 HydrophobicContact CD1-CG 4.14Å; L127-M188 HydrophobicContact CD1-SD 4.46Å; L127-F192 HydrophobicContact CD1-CB 4.09Å; L127-F192 HydrophobicContact CD2-CB 3.97Å; L127-E193 HydrophobicContact CD2-CB 4.12Å
128A91Very high92.8Very high58 Ų5854.4 Ų54.448%0.47929%0.291SS..Hα-helixtrans-66.1-46.8-178.400000112.6F130 M131 A132A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.18Å; A128-M131 PolarHBondContact O-N 3Å; A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.08Å
129P92.8Very high92.8Very high55 Ų5555.3 Ų55.336%0.35730%0.296SS..Hα-helixtrans-55.1-45.6171-26.833.9000113.2M126 A132 Q133M126-P129 WeakPolarHBondContact O-CD 3.44Å; P129-A132 PolarHBondContact O-N 2.83Å; P129-Q133 WeakPolarHBondContact O-CB 3.42Å; P129-Q133 VanDerWaalsContact O-CG 3.3Å; P129-Q133 WeakPolarHBondContact O-CG 3.45Å; P129-Q133 PolarHBondContact O-N 3.37Å
130F95.4Very high92.4Very high5 Ų556.6 Ų56.62%0.02230%0.301CS..Hα-helixtrans-61-47.7179.5171.1-104.6000112.6E118 F120 M126 L127 A128 A132 Q133 C134 V155 M158 M159 M188E118-F130 VanDerWaalsContact O-CD2 3.24Å; E118-F130 WeakPolarHBondContact O-CD2 3.32Å; F120-F130 HydrophobicContact CB-CB 4.34Å; F120-F130 HydrophobicContact CB-CD1 3.85Å; F120-F130 HydrophobicContact CB-CD2 3.54Å; F120-F130 HydrophobicContact CB-CE1 3.97Å; F120-F130 HydrophobicContact CB-CE2 3.62Å; F120-F130 HydrophobicContact CB-CG 3.62Å; F120-F130 HydrophobicContact CB-CZ 3.83Å; F120-F130 HydrophobicContact CD1-CD1 4.35Å; F120-F130 HydrophobicContact CD1-CE1 4.44Å; F120-F130 HydrophobicContact CD2-CB 4.14Å; F120-F130 HydrophobicContact CD2-CD1 4.38Å; F120-F130 HydrophobicContact CD2-CG 4.2Å; F120-F130 HydrophobicContact CG-CB 4.45Å; F120-F130 AromaticContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD2 4.41Å; F120-F130 HydrophobicContact CG-CE1 4.3Å; F120-F130 HydrophobicContact CG-CG 4.01Å; M126-F130 WeakPolarHBondContact O-CB 3.27Å; M126-F130 PolarHBondContact O-N 3.47Å; L127-F130 PolarHBondContact O-N 3.41Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.18Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 2.92Å; F130-Q133 PolarHBondContact O-N 3.32Å; F130-C134 VanDerWaalsContact CE2-SG 3.51Å; F130-C134 WeakPolarHBondContact CZ-SG 3.34Å; F130-C134 PolarHBondContact O-N 2.86Å; F130-C134 PolarHBondContact O-SG 3.09Å; F130-V155 HydrophobicContact CE1-CG1 3.89Å; F130-V155 HydrophobicContact CZ-CG1 4.04Å; F130-M158 HydrophobicContact CE2-CB 3.75Å; F130-M158 HydrophobicContact CZ-CB 3.99Å; F130-M159 HydrophobicContact CZ-CG 4.37Å; F130-M188 HydrophobicContact CD1-CE 3.53Å; F130-M188 HydrophobicContact CE1-CE 3.37Å; F130-M188 HydrophobicContact CE1-SD 4.17Å
131M94.1Very high91.8Very high48 Ų4857.8 Ų57.824%0.23631%0.31CS..Hα-helixtrans-60.1-42.8177.8-72-176.357.900111.5L127 A128 C134 Q135 M185L127-M131 HydrophobicContact CD1-CG 4.27Å; L127-M131 HydrophobicContact CD1-SD 4.09Å; L127-M131 HydrophobicContact CG-SD 4.24Å; L127-M131 VanDerWaalsContact O-CG 3.32Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.39Å; A128-M131 PolarHBondContact O-N 3Å; M131-C134 PolarHBondContact O-N 3Å; M131-Q135 PolarHBondContact O-N 2.98Å; M131-M185 HydrophobicContact CB-CE 4.21Å; M131-M185 HydrophobicContact CE-CB 4.37Å; M131-M185 HydrophobicContact CE-CE 3.58Å; M131-M185 HydrophobicContact CG-CE 3.6Å; M131-M185 HydrophobicContact SD-CE 4.09Å
132A93.9Very high91.2Very high45 Ų4559.3 Ų59.337%0.37232%0.322SS..Hα-helixtrans-64.9-44.2177.200000112A128 P129 F130 C134 Q135 I136A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.08Å; P129-A132 PolarHBondContact O-N 2.83Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 2.92Å; A132-C134 PolarHBondContact O-N 2.8Å; A132-Q135 PolarHBondContact O-N 3.32Å; A132-I136 WeakPolarHBondContact O-CB 3.33Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.32Å; A132-I136 PolarHBondContact O-N 3.14Å
133Q94Very high90.7Very high68 Ų6865.2 Ų65.232%0.31834%0.343SS..Hα-helixtrans-61.2-43.6176.2-74.2173.5-2.300111.9P117 P129 F130 Q135 I136 F137P117-Q133 HydrophobicContact CB-CB 3.92Å; P117-Q133 HydrophobicContact CG-CB 4.33Å; P129-Q133 WeakPolarHBondContact O-CB 3.42Å; P129-Q133 VanDerWaalsContact O-CG 3.3Å; P129-Q133 WeakPolarHBondContact O-CG 3.45Å; P129-Q133 PolarHBondContact O-N 3.37Å; F130-Q133 PolarHBondContact O-N 3.32Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.92Å; Q133-I136 PolarHBondContact O-N 3.34Å; Q133-F137 WeakPolarHBondContact O-CB 3.28Å; Q133-F137 PolarHBondContact O-N 3.28Å
134C93.9Very high90.4Very high0 Ų067.5 Ų67.50%036%0.355CS..Hα-helixtrans-59.5-45175.8-69.70000111.5F130 M131 A132 F137 M138 F154 V155F130-C134 VanDerWaalsContact CE2-SG 3.51Å; F130-C134 WeakPolarHBondContact CZ-SG 3.34Å; F130-C134 PolarHBondContact O-N 2.86Å; F130-C134 PolarHBondContact O-SG 3.09Å; M131-C134 PolarHBondContact O-N 3Å; A132-C134 PolarHBondContact O-N 2.8Å; C134-F137 PolarHBondContact O-N 2.86Å; C134-M138 HydrophobicContact CB-CE 4.11Å; C134-M138 WeakPolarHBondContact O-CE 3.16Å; C134-M138 WeakPolarHBondContact O-CG 3.45Å; C134-M138 PolarHBondContact O-N 3.12Å; C134-F154 HydrophobicContact CB-CE1 4.24Å; C134-V155 HydrophobicContact CB-CG2 4.25Å
135Q92.8Very high90.4Very high105 Ų10566.2 Ų66.249%0.49135%0.345SS..Hα-helixtrans-62.7-49.2177.3-179176.9-1500111.7M131 A132 Q133 F137 M138 E139M131-Q135 PolarHBondContact O-N 2.98Å; A132-Q135 PolarHBondContact O-N 3.32Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.92Å; Q135-F137 VanDerWaalsContact C-N 3.29Å; Q135-F137 PolarHBondContact O-N 2.92Å; Q135-M138 PolarHBondContact O-N 3.48Å; Q135-E139 HydrophobicContact CG-CG 4.46Å; Q135-E139 VanDerWaalsContact CG-OE1 3.31Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.95Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.24Å
136I92.1Very high90.3Very high80 Ų8064.7 Ų64.741%0.4134%0.342SS..Hα-helixtrans-59.7-41.6179.2-69.9164.7000111A132 Q133 E139 K140A132-I136 WeakPolarHBondContact O-CB 3.33Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.32Å; A132-I136 PolarHBondContact O-N 3.14Å; Q133-I136 PolarHBondContact O-N 3.34Å; I136-E139 PolarHBondContact O-N 2.9Å; I136-K140 HydrophobicContact CG2-CD 3.84Å; I136-K140 HydrophobicContact CG2-CG 4.47Å; I136-K140 WeakPolarHBondContact O-CB 3.33Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.42Å
137F91.9Very high90.4Very high18 Ų1865 Ų658%0.07935%0.348CS..Hα-helixtrans-61.6-49.3176.3-179.9-93.4000111.1D115 L116 P117 Q133 C134 Q135 E139 K140 S141 F145 F154D115-F137 HydrophobicContact CB-CE2 4.44Å; D115-F137 WeakPolarHBondContact O-CD2 3.47Å; L116-F137 HydrophobicContact CD2-CE2 4.04Å; L116-F137 HydrophobicContact CD2-CZ 3.95Å; P117-F137 HydrophobicContact CG-CB 4.04Å; P117-F137 HydrophobicContact CG-CG 4.43Å; Q133-F137 WeakPolarHBondContact O-CB 3.28Å; Q133-F137 PolarHBondContact O-N 3.28Å; C134-F137 PolarHBondContact O-N 2.86Å; Q135-F137 VanDerWaalsContact C-N 3.29Å; Q135-F137 PolarHBondContact O-N 2.92Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.96Å; F137-K140 PolarHBondContact O-N 3.48Å; F137-S141 WeakPolarHBondContact O-CB 3.37Å; F137-S141 PolarHBondContact O-N 2.91Å; F137-F145 HydrophobicContact CD1-CE2 4.37Å; F137-F145 HydrophobicContact CD1-CZ 4.26Å; F137-F145 HydrophobicContact CE1-CE2 4.2Å; F137-F145 HydrophobicContact CE1-CZ 4.02Å; F137-F154 HydrophobicContact CB-CZ 4.29Å; F137-F154 AromaticContact CD1-CE1 3.79Å; F137-F154 HydrophobicContact CD1-CE1 3.79Å; F137-F154 AromaticContact CD1-CE2 3.62Å; F137-F154 HydrophobicContact CD1-CE2 3.62Å; F137-F154 AromaticContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CE1-CD2 4.29Å; F137-F154 HydrophobicContact CE1-CE1 4.45Å; F137-F154 AromaticContact CE1-CE2 3.49Å; F137-F154 HydrophobicContact CE1-CE2 3.49Å; F137-F154 VanDerWaalsContact CE1-CE2 3.49Å; F137-F154 AromaticContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CG-CE1 4.5Å; F137-F154 AromaticContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CZ-CE2 4.29Å
138M91.7Very high90.6Very high24 Ų2466.4 Ų66.412%0.11836%0.355CS..Hα-helixtrans-62-33.3178.9-72.4-175.6-84.600113C134 Q135 F145 R151 F154 V155 Y181C134-M138 HydrophobicContact CB-CE 4.11Å; C134-M138 WeakPolarHBondContact O-CE 3.16Å; C134-M138 WeakPolarHBondContact O-CG 3.45Å; C134-M138 PolarHBondContact O-N 3.12Å; Q135-M138 PolarHBondContact O-N 3.48Å; M138-F145 HydrophobicContact CB-CB 4.44Å; M138-F145 HydrophobicContact CB-CD1 4.43Å; M138-F145 HydrophobicContact CB-CD2 3.91Å; M138-F145 HydrophobicContact CB-CE2 4.21Å; M138-F145 HydrophobicContact CB-CG 4.02Å; M138-F145 HydrophobicContact CG-CD1 3.67Å; M138-F145 HydrophobicContact CG-CD2 3.86Å; M138-F145 HydrophobicContact CG-CE1 3.69Å; M138-F145 HydrophobicContact CG-CE2 3.86Å; M138-F145 HydrophobicContact CG-CG 3.76Å; M138-F145 HydrophobicContact CG-CZ 3.78Å; M138-F145 HydrophobicContact SD-CD1 3.8Å; M138-F145 HydrophobicContact SD-CE1 4.08Å; M138-F145 HydrophobicContact SD-CG 4.24Å; M138-R151 HydrophobicContact SD-CB 3.94Å; M138-R151 HydrophobicContact SD-CG 3.79Å; M138-F154 HydrophobicContact CE-CD1 4.49Å; M138-F154 HydrophobicContact CG-CD1 4.15Å; M138-F154 HydrophobicContact CG-CE1 4.23Å; M138-F154 HydrophobicContact SD-CD1 4.25Å; M138-V155 HydrophobicContact CE-CG2 4.4Å; M138-Y181 HydrophobicContact CE-CE2 4.17Å; M138-Y181 WeakPolarHBondContact CE-OH 3.46Å
139E90.1Very high90.8Very high136 Ų13669.7 Ų69.764%0.63636%0.355SS*.Hα-helixtrans-73-32.2176.7-74.3174.2-171.600113.3Q135 I136 F137Q135-E139 HydrophobicContact CG-CG 4.46Å; Q135-E139 VanDerWaalsContact CG-OE1 3.31Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.95Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.24Å; I136-E139 PolarHBondContact O-N 2.9Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.96Å
140K87.1Confident90.9Very high166 Ų16669.8 Ų69.872%0.72236%0.355SS*.Hα-helixtrans-92.2-25.7-178-71178177.2178.70114I136 F137I136-K140 HydrophobicContact CG2-CD 3.84Å; I136-K140 HydrophobicContact CG2-CG 4.47Å; I136-K140 WeakPolarHBondContact O-CB 3.33Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.42Å; F137-K140 PolarHBondContact O-N 3.48Å
141S84.9Confident90.9Very high27 Ų2773.1 Ų73.119%0.18937%0.367CS..  trans-65.2142.2-1751620000111.5F137 R143 F145F137-S141 WeakPolarHBondContact O-CB 3.37Å; F137-S141 PolarHBondContact O-N 2.91Å; S141-R143 PolarHBondContact O-N 2.91Å; S141-R143 WeakPolarHBondContact OG-CB 3.24Å; S141-R143 VanDerWaalsContact OG-CG 3.3Å; S141-R143 WeakPolarHBondContact OG-CG 3.47Å; S141-R143 PolarHBondContact OG-N 2.65Å; S141-F145 WeakPolarHBondContact OG-CE2 3.4Å
142T81.4Confident91Very high116 Ų11670.8 Ų70.871%0.71236%0.356SS*.SBendtrans-74.8-15.8171.453.60000112.6
143R83.6Confident91Very high132 Ų13270.9 Ų70.950%0.49835%0.353SS..SBendtrans-63.4148.4174.4-55.4179.7111.4135.7-4.7112.7E111 S141 F145E111-R143 WeakPolarHBondContact OE1-CD 3.49Å; E111-R143 VanDerWaalsContact OE1-CG 3.28Å; E111-R143 WeakPolarHBondContact OE1-CG 3.44Å; E111-R143 IonicContact OE1-CZ 2.83Å; E111-R143 IonicContact OE1-NE 3.47Å; E111-R143 PolarHBondContact OE1-NE 2.99Å; E111-R143 IonicContact OE1-NH1 3.68Å; E111-R143 PolarHBondContact OE1-NH1 3.36Å; E111-R143 IonicContact OE2-CZ 3.64Å; E111-R143 IonicContact OE2-NH1 3.74Å; E111-R143 PolarHBondContact OE2-NH1 3.03Å; S141-R143 PolarHBondContact O-N 2.91Å; S141-R143 WeakPolarHBondContact OG-CB 3.24Å; S141-R143 VanDerWaalsContact OG-CG 3.3Å; S141-R143 WeakPolarHBondContact OG-CG 3.47Å; S141-R143 PolarHBondContact OG-N 2.65Å; R143-F145 HydrophobicContact CB-CD2 4.28Å; R143-F145 HydrophobicContact CB-CE2 3.9Å; R143-F145 HydrophobicContact CB-CZ 4.47Å; R143-F145 PolarHBondContact O-N 3.35Å
144D84.9Confident91.1Very high107 Ų10768.5 Ų68.557%0.57234%0.342SS*.  trans-74.9107.9173.3-174.415.3000112.1S146D144-S146 WeakPolarHBondContact OD1-CB 3.47Å; D144-S146 PolarHBondContact OD1-N 3.45Å; D144-S146 PolarHBondContact OD1-OG 3.36Å; D144-S146 PolarHBondContact OD2-OG 3.47Å
145F89.3Confident91.2Very high17 Ų1768.5 Ų68.58%0.07534%0.342CS..  trans-104.326.4170.2-72.4-74.4000112.3F137 M138 S141 R143 V147 V150 R151 F154F137-F145 HydrophobicContact CD1-CE2 4.37Å; F137-F145 HydrophobicContact CD1-CZ 4.26Å; F137-F145 HydrophobicContact CE1-CE2 4.2Å; F137-F145 HydrophobicContact CE1-CZ 4.02Å; M138-F145 HydrophobicContact CB-CB 4.44Å; M138-F145 HydrophobicContact CB-CD1 4.43Å; M138-F145 HydrophobicContact CB-CD2 3.91Å; M138-F145 HydrophobicContact CB-CE2 4.21Å; M138-F145 HydrophobicContact CB-CG 4.02Å; M138-F145 HydrophobicContact CG-CD1 3.67Å; M138-F145 HydrophobicContact CG-CD2 3.86Å; M138-F145 HydrophobicContact CG-CE1 3.69Å; M138-F145 HydrophobicContact CG-CE2 3.86Å; M138-F145 HydrophobicContact CG-CG 3.76Å; M138-F145 HydrophobicContact CG-CZ 3.78Å; M138-F145 HydrophobicContact SD-CD1 3.8Å; M138-F145 HydrophobicContact SD-CE1 4.08Å; M138-F145 HydrophobicContact SD-CG 4.24Å; S141-F145 WeakPolarHBondContact OG-CE2 3.4Å; R143-F145 HydrophobicContact CB-CD2 4.28Å; R143-F145 HydrophobicContact CB-CE2 3.9Å; R143-F145 HydrophobicContact CB-CZ 4.47Å; R143-F145 PolarHBondContact O-N 3.35Å; F145-V147 VanDerWaalsContact C-N 3.27Å; F145-V147 PolarHBondContact O-N 2.93Å; F145-V150 HydrophobicContact CD1-CG1 4.01Å; F145-V150 HydrophobicContact CE1-CG1 4.1Å; F145-R151 HydrophobicContact CB-CG 4.28Å; F145-R151 HydrophobicContact CD1-CG 4.05Å; F145-R151 PolarHBondContact O-NE 3.34Å; F145-R151 PolarHBondContact O-NH2 3.06Å; F145-F154 HydrophobicContact CE1-CB 3.89Å; F145-F154 HydrophobicContact CE1-CD1 4.26Å; F145-F154 AromaticContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CZ-CD1 4.48Å; F145-F154 HydrophobicContact CZ-CD2 4.38Å; F145-F154 HydrophobicContact CZ-CG 4.2Å
146S87.8Confident91.3Very high76 Ų7665.1 Ų65.153%0.53133%0.329SS..  trans-68.3-27.5175.7650000112.9D144D144-S146 WeakPolarHBondContact OD1-CB 3.47Å; D144-S146 PolarHBondContact OD1-N 3.45Å; D144-S146 PolarHBondContact OD1-OG 3.36Å; D144-S146 PolarHBondContact OD2-OG 3.47Å
147V93.7Very high91.4Very high73 Ų7365 Ų6544%0.44234%0.335SS..SBendtrans-97.4124.1-175.7-175.90000111.3F145 R149 V150 R151F145-V147 VanDerWaalsContact C-N 3.27Å; F145-V147 PolarHBondContact O-N 2.93Å; V147-R149 HydrophobicContact CG1-CB 4.08Å; V147-R149 PolarHBondContact O-N 3.08Å; V147-V150 HydrophobicContact CB-CG2 4.03Å; V147-V150 HydrophobicContact CG1-CG2 4.47Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 3.5Å; V147-R151 PolarHBondContact O-N 3.11Å
148D95.5Very high91.6Very high38 Ų3864.8 Ų64.820%0.20333%0.334CS..Hα-helixtrans-56.9-35.7-179.6-87.25.6000113.6V150 R151 V152 N180 Y181D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 2.85Å; D148-R151 WeakPolarHBondContact O-CB 3.25Å; D148-R151 PolarHBondContact O-N 2.8Å; D148-R151 IonicContact OD1-CZ 2.7Å; D148-R151 IonicContact OD1-NH1 2.93Å; D148-R151 PolarHBondContact OD1-NH1 3.23Å; D148-V152 WeakPolarHBondContact O-CG2 3.31Å; D148-V152 PolarHBondContact O-N 2.96Å; D148-N180 WeakPolarHBondContact OD2-CA 3.44Å; D148-Y181 PolarHBondContact OD2-N 3.22Å
149R95.1Very high91.9Very high127 Ų12764.1 Ų64.148%0.47933%0.331SS..Hα-helixtrans-58.4-39.8174.3-175.7177.8-176.1-81.3-0.2112.8V147 V152 C153 M178V147-R149 HydrophobicContact CG1-CB 4.08Å; V147-R149 PolarHBondContact O-N 3.08Å; R149-V152 PolarHBondContact O-N 3.24Å; R149-C153 WeakPolarHBondContact O-CB 3.17Å; R149-C153 PolarHBondContact O-N 3.42Å; R149-C153 PolarHBondContact O-SG 3.16Å; R149-M178 WeakPolarHBondContact CA-O 3.01Å; R149-M178 HydrophobicContact CG-CG 4.09Å; R149-M178 HydrophobicContact CG-SD 4.31Å
150V95Very high92.2Very high58 Ų5859.8 Ų59.835%0.35231%0.314SS..Hα-helixtrans-66.8-42.2178.4178.90000109.8F145 V147 D148 C153 F154F145-V150 HydrophobicContact CD1-CG1 4.01Å; F145-V150 HydrophobicContact CE1-CG1 4.1Å; V147-V150 HydrophobicContact CB-CG2 4.03Å; V147-V150 HydrophobicContact CG1-CG2 4.47Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 3.5Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 2.85Å; V150-C153 PolarHBondContact O-N 3.21Å; V150-F154 WeakPolarHBondContact O-CB 3.27Å; V150-F154 PolarHBondContact O-N 3.36Å
151R95.6Very high92.6Very high74 Ų7453.8 Ų53.828%0.27930%0.299SS..Hα-helixtrans-61.3-46.3176.1-58.1178.9176.5150.2-4.7112.1M138 F145 V147 D148 F154 V155 Y181M138-R151 HydrophobicContact SD-CB 3.94Å; M138-R151 HydrophobicContact SD-CG 3.79Å; F145-R151 HydrophobicContact CB-CG 4.28Å; F145-R151 HydrophobicContact CD1-CG 4.05Å; F145-R151 PolarHBondContact O-NE 3.34Å; F145-R151 PolarHBondContact O-NH2 3.06Å; V147-R151 PolarHBondContact O-N 3.11Å; D148-R151 WeakPolarHBondContact O-CB 3.25Å; D148-R151 PolarHBondContact O-N 2.8Å; D148-R151 IonicContact OD1-CZ 2.7Å; D148-R151 IonicContact OD1-NH1 2.93Å; D148-R151 PolarHBondContact OD1-NH1 3.23Å; R151-F154 PolarHBondContact O-N 2.89Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.46Å; R151-Y181 HydrophobicContact CB-CD2 3.43Å; R151-Y181 VanDerWaalsContact CB-CD2 3.43Å; R151-Y181 HydrophobicContact CB-CE2 3.92Å; R151-Y181 HydrophobicContact CB-CG 3.82Å; R151-Y181 HydrophobicContact CG-CD2 4.46Å; R151-Y181 HydrophobicContact CG-CG 4.48Å
152V96.4Very high93.1Very high0 Ų060.7 Ų60.70%032%0.321CS..Hα-helixtrans-65.7-43.9179176.20000110.9D148 R149 F154 V155 T156 L171 M178 Y181 F184D148-V152 WeakPolarHBondContact O-CG2 3.31Å; D148-V152 PolarHBondContact O-N 2.96Å; R149-V152 PolarHBondContact O-N 3.24Å; V152-F154 VanDerWaalsContact C-N 3.3Å; V152-F154 PolarHBondContact O-N 2.84Å; V152-V155 PolarHBondContact O-N 3.37Å; V152-T156 HydrophobicContact CG1-CG2 4.4Å; V152-T156 WeakPolarHBondContact O-CB 3.48Å; V152-T156 WeakPolarHBondContact O-CG2 3.42Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 2.86Å; V152-L171 HydrophobicContact CG1-CD1 4.19Å; V152-L171 HydrophobicContact CG1-CD2 4.03Å; V152-M178 HydrophobicContact CG1-SD 4.09Å; V152-Y181 HydrophobicContact CG2-CD2 4.2Å; V152-F184 HydrophobicContact CG1-CD1 4.32Å; V152-F184 HydrophobicContact CG1-CD2 4.15Å; V152-F184 HydrophobicContact CG1-CE2 4.38Å; V152-F184 HydrophobicContact CG1-CG 4.12Å; V152-F184 HydrophobicContact CG2-CB 4.08Å; V152-F184 HydrophobicContact CG2-CD1 4.39Å; V152-F184 HydrophobicContact CG2-CG 4.23Å
153C94.6Very high93.8Very high47 Ų4755.1 Ų55.132%0.31829%0.287SS..Hα-helixtrans-59.6-40.7174.1-74.50000112.3R149 V150 T156 S157R149-C153 WeakPolarHBondContact O-CB 3.17Å; R149-C153 PolarHBondContact O-N 3.42Å; R149-C153 PolarHBondContact O-SG 3.16Å; V150-C153 PolarHBondContact O-N 3.21Å; C153-T156 WeakPolarHBondContact CA-OG1 3.14Å; C153-T156 PolarHBondContact O-OG1 3.46Å; C153-S157 WeakPolarHBondContact O-CB 3.17Å; C153-S157 PolarHBondContact O-N 2.81Å
154F95Very high94.5Very high17 Ų1750.2 Ų50.28%0.07527%0.274CS..Hα-helixtrans-64.8-52.9176.3171.1-104.5000111.9L116 P117 C134 F137 M138 F145 V150 R151 V152 T156 S157 M158L116-F154 HydrophobicContact CD2-CE2 4.23Å; P117-F154 HydrophobicContact CG-CE1 4.24Å; P117-F154 HydrophobicContact CG-CZ 3.77Å; C134-F154 HydrophobicContact CB-CE1 4.24Å; F137-F154 HydrophobicContact CB-CZ 4.29Å; F137-F154 AromaticContact CD1-CE1 3.79Å; F137-F154 HydrophobicContact CD1-CE1 3.79Å; F137-F154 AromaticContact CD1-CE2 3.62Å; F137-F154 HydrophobicContact CD1-CE2 3.62Å; F137-F154 AromaticContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CE1-CD2 4.29Å; F137-F154 HydrophobicContact CE1-CE1 4.45Å; F137-F154 AromaticContact CE1-CE2 3.49Å; F137-F154 HydrophobicContact CE1-CE2 3.49Å; F137-F154 VanDerWaalsContact CE1-CE2 3.49Å; F137-F154 AromaticContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CG-CE1 4.5Å; F137-F154 AromaticContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CZ-CE2 4.29Å; M138-F154 HydrophobicContact CE-CD1 4.49Å; M138-F154 HydrophobicContact CG-CD1 4.15Å; M138-F154 HydrophobicContact CG-CE1 4.23Å; M138-F154 HydrophobicContact SD-CD1 4.25Å; F145-F154 HydrophobicContact CE1-CB 3.89Å; F145-F154 HydrophobicContact CE1-CD1 4.26Å; F145-F154 AromaticContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CZ-CD1 4.48Å; F145-F154 HydrophobicContact CZ-CD2 4.38Å; F145-F154 HydrophobicContact CZ-CG 4.2Å; V150-F154 WeakPolarHBondContact O-CB 3.27Å; V150-F154 PolarHBondContact O-N 3.36Å; R151-F154 PolarHBondContact O-N 2.89Å; V152-F154 VanDerWaalsContact C-N 3.3Å; V152-F154 PolarHBondContact O-N 2.84Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 2.86Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 VanDerWaalsContact O-N 3.12Å; F154-S157 PolarHBondContact O-OG 3.44Å; F154-M158 HydrophobicContact CD2-CG 4.47Å; F154-M158 HydrophobicContact CE2-CG 4.06Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 WeakPolarHBondContact O-CG 3.47Å; F154-M158 PolarHBondContact O-N 3.18Å
155V96.1Very high95Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-58.8-41.9179.7173.40000110.9F130 C134 M138 R151 V152 S157 M158 M159 Y181 F184 M185 M188F130-V155 HydrophobicContact CE1-CG1 3.89Å; F130-V155 HydrophobicContact CZ-CG1 4.04Å; C134-V155 HydrophobicContact CB-CG2 4.25Å; M138-V155 HydrophobicContact CE-CG2 4.4Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.46Å; V152-V155 PolarHBondContact O-N 3.37Å; V155-S157 PolarHBondContact O-N 2.71Å; V155-M158 PolarHBondContact O-N 3.03Å; V155-M159 WeakPolarHBondContact O-CG 3.25Å; V155-M159 PolarHBondContact O-N 3.43Å; V155-Y181 HydrophobicContact CG2-CE2 3.92Å; V155-F184 HydrophobicContact CB-CE1 4.37Å; V155-F184 HydrophobicContact CG1-CE1 3.92Å; V155-M185 HydrophobicContact CG1-SD 4.21Å; V155-M185 HydrophobicContact CG2-SD 4.27Å; V155-M188 HydrophobicContact CG1-SD 4.22Å
156T95.8Very high95.4Very high35 Ų3554.7 Ų54.722%0.21528%0.283CS..Hα-helixtrans-68.4-31.3178.352.70000114.1V152 C153 F154 M158 M159 A167 L171 F184V152-T156 HydrophobicContact CG1-CG2 4.4Å; V152-T156 WeakPolarHBondContact O-CB 3.48Å; V152-T156 WeakPolarHBondContact O-CG2 3.42Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 2.86Å; C153-T156 WeakPolarHBondContact CA-OG1 3.14Å; C153-T156 PolarHBondContact O-OG1 3.46Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 2.86Å; T156-M158 PolarHBondContact O-N 3.42Å; T156-M159 HydrophobicContact CG2-SD 4.22Å; T156-M159 WeakPolarHBondContact O-CB 3.49Å; T156-M159 PolarHBondContact O-N 3.33Å; T156-A167 HydrophobicContact CG2-CB 3.88Å; T156-L171 HydrophobicContact CG2-CD1 3.83Å; T156-F184 HydrophobicContact CG2-CE1 4.25Å; T156-F184 HydrophobicContact CG2-CE2 4.16Å; T156-F184 HydrophobicContact CG2-CZ 3.57Å
157S95Very high95.8Very high76 Ų7651.2 Ų51.253%0.53126%0.259SS..Hα-helixtrans-68.9-24.717475.70000112.7C153 F154 V155 M159C153-S157 WeakPolarHBondContact O-CB 3.17Å; C153-S157 PolarHBondContact O-N 2.81Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 VanDerWaalsContact O-N 3.12Å; F154-S157 PolarHBondContact O-OG 3.44Å; V155-S157 PolarHBondContact O-N 2.71Å; S157-M159 VanDerWaalsContact C-N 3.32Å
158M95.9Very high95.9Very high14 Ų1451 Ų517%0.06926%0.26CS..THydrogen-bonded Turntrans-85.3-2.3174.7-57-53.1-69.700113.4L116 P117 K119 F120 F130 F154 V155 T156L116-M158 HydrophobicContact CB-CE 4.05Å; L116-M158 HydrophobicContact CD2-CE 4.4Å; L116-M158 HydrophobicContact CD2-SD 4.33Å; P117-M158 HydrophobicContact CB-CE 3.98Å; P117-M158 HydrophobicContact CG-CE 4.36Å; P117-M158 WeakPolarHBondContact O-CE 3.16Å; K119-M158 CarbonylContact C-O 3.59Å; K119-M158 VanDerWaalsContact CA-O 3.26Å; K119-M158 WeakPolarHBondContact CA-O 3.25Å; F120-M158 PolarHBondContact N-O 3.06Å; F130-M158 HydrophobicContact CE2-CB 3.75Å; F130-M158 HydrophobicContact CZ-CB 3.99Å; F154-M158 HydrophobicContact CD2-CG 4.47Å; F154-M158 HydrophobicContact CE2-CG 4.06Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 WeakPolarHBondContact O-CG 3.47Å; F154-M158 PolarHBondContact O-N 3.18Å; V155-M158 PolarHBondContact O-N 3.03Å; T156-M158 PolarHBondContact O-N 3.42Å
159M96.7Very high95.9Very high10 Ų1050.8 Ų50.85%0.04926%0.264CS..BIsolated β-bridgetrans-89.6148.9175.9-64.9169.896.800111.6F120 F130 V155 T156 S157 A163 A164 W166 A167 F184 M188 F192F120-M159 HydrophobicContact CD1-CE 4.23Å; F120-M159 HydrophobicContact CD1-CG 4.45Å; F120-M159 CarbonylContact O-C 3.54Å; F120-M159 WeakPolarHBondContact O-CA 3.31Å; F130-M159 HydrophobicContact CZ-CG 4.37Å; V155-M159 WeakPolarHBondContact O-CG 3.25Å; V155-M159 PolarHBondContact O-N 3.43Å; T156-M159 HydrophobicContact CG2-SD 4.22Å; T156-M159 WeakPolarHBondContact O-CB 3.49Å; T156-M159 PolarHBondContact O-N 3.33Å; S157-M159 VanDerWaalsContact C-N 3.32Å; M159-A163 HydrophobicContact CB-CB 4.03Å; M159-A163 HydrophobicContact CE-CB 3.63Å; M159-A163 HydrophobicContact CG-CB 4.24Å; M159-A164 HydrophobicContact CB-CB 4.3Å; M159-W166 HydrophobicContact CE-CE3 3.75Å; M159-W166 HydrophobicContact CE-CZ3 3.78Å; M159-A167 HydrophobicContact CE-CB 4.16Å; M159-A167 HydrophobicContact SD-CB 3.78Å; M159-F184 HydrophobicContact SD-CZ 4.37Å; M159-M188 HydrophobicContact CE-CE 3.9Å; M159-M188 HydrophobicContact CE-SD 4.21Å; M159-F192 HydrophobicContact CE-CE2 4.09Å
160T96.6Very high95.9Very high46 Ų4647 Ų4728%0.28225%0.251SS..  trans-138.1170.4177.460.10000111.2K119 F120 D121 R162 A163 A164K119-T160 HydrophobicContact CB-CG2 3.91Å; K119-T160 HydrophobicContact CD-CG2 3.57Å; K119-T160 HydrophobicContact CG-CG2 4.25Å; F120-T160 PolarHBondContact O-N 3.18Å; F120-T160 PolarHBondContact O-OG1 3.36Å; D121-T160 WeakPolarHBondContact CA-O 3.47Å; D121-T160 WeakPolarHBondContact CA-OG1 3.42Å; T160-R162 PolarHBondContact O-N 3.28Å; T160-A163 WeakPolarHBondContact O-CB 3.33Å; T160-A163 PolarHBondContact O-N 3.32Å; T160-A163 VanDerWaalsContact O-N 3.1Å; T160-A164 PolarHBondContact O-N 3.28Å; T160-A164 VanDerWaalsContact O-N 3.15Å
161G96Very high95.9Very high39 Ų3945.1 Ų45.140%0.40224%0.239SC..Hα-helixtrans55.9-120.7168.900000114.3R165G161-R165 WeakPolarHBondContact O-CG 3.43Å; G161-R165 PolarHBondContact O-N 2.95Å; G161-R165 PolarHBondContact O-NE 2.93Å
162R95.7Very high95.9Very high172 Ų17249.2 Ų49.265%0.64926%0.261SS*.Hα-helixtrans-70.3-40.7-178.9-178.1-171.7-64.3176.61111.2D121 T160 R165 W166D121-R162 WeakPolarHBondContact O-CB 3.5Å; D121-R162 PolarHBondContact O-N 3.03Å; D121-R162 VanDerWaalsContact O-N 3.16Å; T160-R162 PolarHBondContact O-N 3.28Å; R162-R165 PolarHBondContact O-N 3.2Å; R162-W166 PolarHBondContact O-N 3.49Å
163A96.6Very high95.8Very high0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-58.9-49.7178.600000112.2F120 D121 M159 T160 R165 W166 A167 F192F120-A163 HydrophobicContact CD1-CB 3.52Å; F120-A163 HydrophobicContact CE1-CB 3.8Å; F120-A163 HydrophobicContact CG-CB 4.49Å; F120-A163 WeakPolarHBondContact O-CB 3.28Å; D121-A163 PolarHBondContact O-N 3.25Å; D121-A163 VanDerWaalsContact O-N 3.09Å; M159-A163 HydrophobicContact CB-CB 4.03Å; M159-A163 HydrophobicContact CE-CB 3.63Å; M159-A163 HydrophobicContact CG-CB 4.24Å; T160-A163 WeakPolarHBondContact O-CB 3.33Å; T160-A163 PolarHBondContact O-N 3.32Å; T160-A163 VanDerWaalsContact O-N 3.1Å; A163-R165 PolarHBondContact O-N 3.46Å; A163-W166 PolarHBondContact O-N 3Å; A163-A167 PolarHBondContact O-N 3.23Å; A163-F192 HydrophobicContact CB-CE1 4.48Å; A163-F192 HydrophobicContact CB-CZ 4.11Å
164A96.9Very high95.8Very high29 Ų2958.3 Ų58.324%0.2429%0.293CS..Hα-helixtrans-60.1-46.1178.600000112.4M159 T160 W166 A167 S168M159-A164 HydrophobicContact CB-CB 4.3Å; T160-A164 PolarHBondContact O-N 3.28Å; T160-A164 VanDerWaalsContact O-N 3.15Å; A164-W166 VanDerWaalsContact C-N 3.3Å; A164-W166 PolarHBondContact O-N 3.47Å; A164-A167 PolarHBondContact O-N 2.92Å; A164-A167 VanDerWaalsContact O-N 3.16Å; A164-S168 PolarHBondContact O-N 3.38Å; A164-S168 PolarHBondContact O-OG 3.16Å
165R97Very high95.7Very high174 Ų17463.6 Ų63.666%0.65732%0.317SS*.Hα-helixtrans-60-40.5177.9-73.8-174.5-118.7106-0.2112.6G161 R162 A163 A169G161-R165 WeakPolarHBondContact O-CG 3.43Å; G161-R165 PolarHBondContact O-N 2.95Å; G161-R165 PolarHBondContact O-NE 2.93Å; R162-R165 PolarHBondContact O-N 3.2Å; A163-R165 PolarHBondContact O-N 3.46Å; R165-A169 WeakPolarHBondContact O-CB 3.21Å; R165-A169 PolarHBondContact O-N 2.93Å
166W96.8Very high95.6Very high43 Ų4369.7 Ų69.716%0.16334%0.341CS..Hα-helixtrans-64.1-47.1174.6166.882.7000111.5M159 R162 A163 A164 S168 A169 K170 F184 E187 M188 V191 F192M159-W166 HydrophobicContact CE-CE3 3.75Å; M159-W166 HydrophobicContact CE-CZ3 3.78Å; R162-W166 PolarHBondContact O-N 3.49Å; A163-W166 PolarHBondContact O-N 3Å; A164-W166 VanDerWaalsContact C-N 3.3Å; A164-W166 PolarHBondContact O-N 3.47Å; W166-S168 PolarHBondContact O-N 2.83Å; W166-A169 PolarHBondContact O-N 3.38Å; W166-K170 HydrophobicContact CZ2-CB 4.41Å; W166-K170 HydrophobicContact CZ2-CG 4.1Å; W166-K170 VanDerWaalsContact O-CB 3.26Å; W166-K170 WeakPolarHBondContact O-CB 3.29Å; W166-K170 PolarHBondContact O-N 3.06Å; W166-F184 HydrophobicContact CH2-CE2 4.24Å; W166-F184 HydrophobicContact CH2-CZ 4.45Å; W166-F184 HydrophobicContact CZ3-CE2 4.1Å; W166-F184 HydrophobicContact CZ3-CZ 4.01Å; W166-E187 HydrophobicContact CH2-CB 4.48Å; W166-E187 HydrophobicContact CZ2-CB 4.26Å; W166-M188 HydrophobicContact CH2-CB 3.74Å; W166-M188 HydrophobicContact CH2-CG 4.35Å; W166-M188 HydrophobicContact CZ3-CB 4.1Å; W166-M188 HydrophobicContact CZ3-CG 4.26Å; W166-V191 HydrophobicContact CD2-CG1 4.41Å; W166-V191 HydrophobicContact CG-CG1 4.29Å; W166-V191 HydrophobicContact CZ2-CB 4.14Å; W166-V191 HydrophobicContact CZ2-CG2 3.89Å; W166-F192 HydrophobicContact CB-CZ 3.9Å; W166-F192 AromaticContact CD2-CE2 3.67Å; W166-F192 HydrophobicContact CD2-CE2 3.67Å; W166-F192 AromaticContact CD2-CZ 3.92Å; W166-F192 HydrophobicContact CD2-CZ 3.92Å; W166-F192 AromaticContact CE3-CE2 3.45Å; W166-F192 HydrophobicContact CE3-CE2 3.45Å; W166-F192 VanDerWaalsContact CE3-CE2 3.45Å; W166-F192 AromaticContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CG-CE2 4.16Å; W166-F192 AromaticContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CH2-CE2 4.47Å; W166-F192 AromaticContact CZ3-CE2 3.9Å; W166-F192 HydrophobicContact CZ3-CE2 3.9Å
167A96.3Very high95.6Very high3 Ų368 Ų683%0.02533%0.331CS..Hα-helixtrans-60.8-47-176.800000111.7T156 M159 A163 A164 K170 L171 F184T156-A167 HydrophobicContact CG2-CB 3.88Å; M159-A167 HydrophobicContact CE-CB 4.16Å; M159-A167 HydrophobicContact SD-CB 3.78Å; A163-A167 PolarHBondContact O-N 3.23Å; A164-A167 PolarHBondContact O-N 2.92Å; A164-A167 VanDerWaalsContact O-N 3.16Å; A167-K170 PolarHBondContact O-N 2.88Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.39Å; A167-L171 PolarHBondContact O-N 3.2Å; A167-F184 HydrophobicContact CB-CZ 4.47Å
168S95.4Very high95.5Very high69 Ų6966.1 Ų66.148%0.48331%0.314SS..Hα-helixtrans-57.2-52.6175.6-56.20000111.5A164 W166 K170 L171 E172A164-S168 PolarHBondContact O-N 3.38Å; A164-S168 PolarHBondContact O-OG 3.16Å; W166-S168 PolarHBondContact O-N 2.83Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.34Å; S168-L171 PolarHBondContact O-N 3.05Å; S168-E172 WeakPolarHBondContact O-CG 2.93Å; S168-E172 PolarHBondContact O-N 2.98Å
169A95.9Very high95.5Very high34 Ų3470.3 Ų70.328%0.28133%0.334SS..Hα-helixtrans-64.2-33.9-178.900000113.2R165 W166 R173R165-A169 WeakPolarHBondContact O-CB 3.21Å; R165-A169 PolarHBondContact O-N 2.93Å; W166-A169 PolarHBondContact O-N 3.38Å; A169-R173 VanDerWaalsContact O-CG 3.31Å; A169-R173 WeakPolarHBondContact O-CG 3.47Å; A169-R173 PolarHBondContact O-N 3.16Å
170K95.3Very high95.5Very high48 Ų4873 Ų7321%0.20935%0.348CS..Hα-helixtrans-73.2-43.9179.1-172.468.5172.3-169.90111.1W166 A167 S168 R173 S174 L177 E187W166-K170 HydrophobicContact CZ2-CB 4.41Å; W166-K170 HydrophobicContact CZ2-CG 4.1Å; W166-K170 VanDerWaalsContact O-CB 3.26Å; W166-K170 WeakPolarHBondContact O-CB 3.29Å; W166-K170 PolarHBondContact O-N 3.06Å; A167-K170 PolarHBondContact O-N 2.88Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.34Å; K170-R173 PolarHBondContact O-N 3.12Å; K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 3.34Å; K170-L177 HydrophobicContact CD-CD1 4.28Å; K170-L177 HydrophobicContact CG-CD1 3.76Å; K170-E187 WeakPolarHBondContact CE-OE2 3.48Å; K170-E187 IonicContact NZ-OE2 3.88Å; K170-E187 PolarHBondContact NZ-OE2 3.45Å
171L95.2Very high95.5Very high18 Ų1872.4 Ų72.49%0.09434%0.341CS..Hα-helixtrans-67.9-34.4178.8-71.6170.3000112.5V152 T156 A167 S168 S174 H175 L177 M178 F184V152-L171 HydrophobicContact CG1-CD1 4.19Å; V152-L171 HydrophobicContact CG1-CD2 4.03Å; T156-L171 HydrophobicContact CG2-CD1 3.83Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.39Å; A167-L171 PolarHBondContact O-N 3.2Å; S168-L171 PolarHBondContact O-N 3.05Å; L171-S174 CarbonylContact O-C 3.59Å; L171-H175 PolarHBondContact O-N 3.25Å; L171-L177 HydrophobicContact CD2-CB 3.9Å; L171-M178 HydrophobicContact CB-CE 4.22Å; L171-M178 HydrophobicContact CD1-CE 3.81Å; L171-M178 HydrophobicContact CD2-CB 4.25Å; L171-M178 HydrophobicContact CD2-CE 4.18Å; L171-M178 HydrophobicContact CG-CE 4.3Å; L171-F184 HydrophobicContact CD1-CE2 4.31Å; L171-F184 HydrophobicContact CD2-CD2 4.04Å; L171-F184 HydrophobicContact CD2-CE2 4.19Å; L171-F184 HydrophobicContact CG-CE2 4.22Å
172E95.1Very high95.5Very high160 Ų16074.4 Ų74.475%0.74835%0.347SS*.Hα-helixtrans-62.7-42.3172.4-77.3172.5-17000112.4S168S168-E172 WeakPolarHBondContact O-CG 2.93Å; S168-E172 PolarHBondContact O-N 2.98Å
173R95.1Very high95.5Very high213 Ų21367 Ų6780%0.80432%0.322SS*.Hα-helixtrans-79.8-25.5-179-68.2175.2-171.11733.4113.3A169 K170A169-R173 VanDerWaalsContact O-CG 3.31Å; A169-R173 WeakPolarHBondContact O-CG 3.47Å; A169-R173 PolarHBondContact O-N 3.16Å; K170-R173 PolarHBondContact O-N 3.12Å
174S93.8Very high95.6Very high25 Ų2567 Ų6718%0.17532%0.322CS..  trans-13569.2-169.8-60.60000110K170 L171 Y176 L177K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 3.34Å; L171-S174 CarbonylContact O-C 3.59Å; S174-Y176 PolarHBondContact O-N 3.34Å; S174-L177 WeakPolarHBondContact O-CB 3.42Å; S174-L177 PolarHBondContact O-N 2.9Å
175H92.1Very high95.5Very high127 Ų12766.2 Ų66.259%0.58831%0.314SS*.G310 helixtrans-56.3-28.5-174.2-167.5-92.3000113.8L171 L177 M178 H179L171-H175 PolarHBondContact O-N 3.25Å; H175-L177 PolarHBondContact O-N 2.95Å; H175-M178 WeakPolarHBondContact O-CB 3.28Å; H175-M178 PolarHBondContact O-N 3.17Å; H175-M178 VanDerWaalsContact O-N 3.09Å; H175-H179 AromaticContact CE1-NE2 3.53Å
176Y94.4Very high95.4Very high128 Ų12863.9 Ų63.950%0.50231%0.311SS..G310 helixtrans-60.9-28.4176.677-88.5000113.2S174 M178 H179 N180 A183S174-Y176 PolarHBondContact O-N 3.34Å; Y176-M178 PolarHBondContact O-N 3.21Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 PolarHBondContact O-N 2.76Å; Y176-N180 PolarHBondContact O-N 2.95Å; Y176-A183 HydrophobicContact CE2-CB 4.31Å
177L95.1Very high95.3Very high0 Ų063.8 Ų63.80%031%0.313CS..G310 helixtrans-65.5-26177.8-66175.9000111.9K170 L171 S174 H175 H179 N180 A183 F184 E187K170-L177 HydrophobicContact CD-CD1 4.28Å; K170-L177 HydrophobicContact CG-CD1 3.76Å; L171-L177 HydrophobicContact CD2-CB 3.9Å; S174-L177 WeakPolarHBondContact O-CB 3.42Å; S174-L177 PolarHBondContact O-N 2.9Å; H175-L177 PolarHBondContact O-N 2.95Å; L177-H179 PolarHBondContact O-N 3.49Å; L177-N180 PolarHBondContact O-N 3.07Å; L177-A183 HydrophobicContact CD2-CB 3.69Å; L177-F184 HydrophobicContact CB-CB 4.45Å; L177-F184 HydrophobicContact CB-CD2 4.4Å; L177-E187 HydrophobicContact CD1-CG 4.29Å; L177-E187 HydrophobicContact CD2-CG 4.25Å
178M94.8Very high95.2Very high37 Ų3763.7 Ų63.718%0.18231%0.312CS..G310 helixtrans-63.1-24.8173.9-171.263.577.600112R149 V152 L171 H175 Y176R149-M178 WeakPolarHBondContact CA-O 3.01Å; R149-M178 HydrophobicContact CG-CG 4.09Å; R149-M178 HydrophobicContact CG-SD 4.31Å; V152-M178 HydrophobicContact CG1-SD 4.09Å; L171-M178 HydrophobicContact CB-CE 4.22Å; L171-M178 HydrophobicContact CD1-CE 3.81Å; L171-M178 HydrophobicContact CD2-CB 4.25Å; L171-M178 HydrophobicContact CD2-CE 4.18Å; L171-M178 HydrophobicContact CG-CE 4.3Å; H175-M178 WeakPolarHBondContact O-CB 3.28Å; H175-M178 PolarHBondContact O-N 3.17Å; H175-M178 VanDerWaalsContact O-N 3.09Å; Y176-M178 PolarHBondContact O-N 3.21Å
179H95.6Very high95.1Very high102 Ų10265 Ų6547%0.47231%0.309SS..G310 helixtrans-115.711.6-176.7-58.5-79.7000112.8H175 Y176 L177H175-H179 AromaticContact CE1-NE2 3.53Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 PolarHBondContact O-N 2.76Å; L177-H179 PolarHBondContact O-N 3.49Å
180N96.1Very high94.8Very high65 Ų6570.1 Ų70.135%0.34833%0.327SS..  trans-139.990.2179.9-171.8-35.4000109D148 Y176 L177 P182 A183 F184D148-N180 WeakPolarHBondContact OD2-CA 3.44Å; Y176-N180 PolarHBondContact O-N 2.95Å; L177-N180 PolarHBondContact O-N 3.07Å; N180-P182 WeakPolarHBondContact OD1-CD 3.2Å; N180-A183 HydrophobicContact CB-CB 4.04Å; N180-A183 VanDerWaalsContact CG-CB 3.46Å; N180-A183 PolarHBondContact O-N 3.02Å; N180-A183 VanDerWaalsContact OD1-CB 3.23Å; N180-A183 WeakPolarHBondContact OD1-CB 3.39Å; N180-A183 PolarHBondContact OD1-N 3.29Å; N180-F184 PolarHBondContact O-N 3.11Å
181Y96.1Very high94.7Very high35 Ų3570.8 Ų70.814%0.13734%0.335CS..Hα-helixtrans-61.4-46.4-177.2171-100.9000112.2M138 D148 R151 V152 V155 A183 F184 M185M138-Y181 HydrophobicContact CE-CE2 4.17Å; M138-Y181 WeakPolarHBondContact CE-OH 3.46Å; D148-Y181 PolarHBondContact OD2-N 3.22Å; R151-Y181 HydrophobicContact CB-CD2 3.43Å; R151-Y181 VanDerWaalsContact CB-CD2 3.43Å; R151-Y181 HydrophobicContact CB-CE2 3.92Å; R151-Y181 HydrophobicContact CB-CG 3.82Å; R151-Y181 HydrophobicContact CG-CD2 4.46Å; R151-Y181 HydrophobicContact CG-CG 4.48Å; V152-Y181 HydrophobicContact CG2-CD2 4.2Å; V155-Y181 HydrophobicContact CG2-CE2 3.92Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.21Å; Y181-F184 PolarHBondContact O-N 3.24Å; Y181-M185 HydrophobicContact CD1-CG 4.29Å; Y181-M185 HydrophobicContact CD2-CG 3.96Å; Y181-M185 HydrophobicContact CD2-SD 4.3Å; Y181-M185 HydrophobicContact CE1-CG 3.84Å; Y181-M185 HydrophobicContact CE2-CG 3.47Å; Y181-M185 VanDerWaalsContact CE2-CG 3.47Å; Y181-M185 HydrophobicContact CE2-SD 3.52Å; Y181-M185 VanDerWaalsContact CE2-SD 3.52Å; Y181-M185 HydrophobicContact CG-CG 4.35Å; Y181-M185 WeakPolarHBondContact O-CG 3.45Å; Y181-M185 PolarHBondContact O-N 3.37Å
182P96.6Very high94.6Very high81 Ų8170.7 Ų70.753%0.52633%0.334SS..Hα-helixtrans-56.6-42.8176.4-26.535.1000113.5N180 M185 M186N180-P182 WeakPolarHBondContact OD1-CD 3.2Å; P182-M185 PolarHBondContact O-N 2.89Å; P182-M186 WeakPolarHBondContact O-CB 3.5Å; P182-M186 PolarHBondContact O-N 3.31Å
183A96.4Very high94.3Very high15 Ų1567.5 Ų67.512%0.12432%0.319CS..Hα-helixtrans-67.1-39.8178.100000111.9Y176 L177 N180 Y181 M186 E187Y176-A183 HydrophobicContact CE2-CB 4.31Å; L177-A183 HydrophobicContact CD2-CB 3.69Å; N180-A183 HydrophobicContact CB-CB 4.04Å; N180-A183 VanDerWaalsContact CG-CB 3.46Å; N180-A183 PolarHBondContact O-N 3.02Å; N180-A183 VanDerWaalsContact OD1-CB 3.23Å; N180-A183 WeakPolarHBondContact OD1-CB 3.39Å; N180-A183 PolarHBondContact OD1-N 3.29Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.21Å; A183-M186 PolarHBondContact O-N 2.89Å; A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 2.93Å
184F96.9Very high93.7Very high0 Ų060.3 Ų60.30%030%0.296CS..Hα-helixtrans-61.3-46.4175178.4-97.4000111.9V152 V155 T156 M159 W166 A167 L171 L177 N180 Y181 M186 E187 M188V152-F184 HydrophobicContact CG1-CD1 4.32Å; V152-F184 HydrophobicContact CG1-CD2 4.15Å; V152-F184 HydrophobicContact CG1-CE2 4.38Å; V152-F184 HydrophobicContact CG1-CG 4.12Å; V152-F184 HydrophobicContact CG2-CB 4.08Å; V152-F184 HydrophobicContact CG2-CD1 4.39Å; V152-F184 HydrophobicContact CG2-CG 4.23Å; V155-F184 HydrophobicContact CB-CE1 4.37Å; V155-F184 HydrophobicContact CG1-CE1 3.92Å; T156-F184 HydrophobicContact CG2-CE1 4.25Å; T156-F184 HydrophobicContact CG2-CE2 4.16Å; T156-F184 HydrophobicContact CG2-CZ 3.57Å; M159-F184 HydrophobicContact SD-CZ 4.37Å; W166-F184 HydrophobicContact CH2-CE2 4.24Å; W166-F184 HydrophobicContact CH2-CZ 4.45Å; W166-F184 HydrophobicContact CZ3-CE2 4.1Å; W166-F184 HydrophobicContact CZ3-CZ 4.01Å; A167-F184 HydrophobicContact CB-CZ 4.47Å; L171-F184 HydrophobicContact CD1-CE2 4.31Å; L171-F184 HydrophobicContact CD2-CD2 4.04Å; L171-F184 HydrophobicContact CD2-CE2 4.19Å; L171-F184 HydrophobicContact CG-CE2 4.22Å; L177-F184 HydrophobicContact CB-CB 4.45Å; L177-F184 HydrophobicContact CB-CD2 4.4Å; N180-F184 PolarHBondContact O-N 3.11Å; Y181-F184 PolarHBondContact O-N 3.24Å; F184-M186 VanDerWaalsContact C-N 3.31Å; F184-M186 PolarHBondContact O-N 2.94Å; F184-E187 PolarHBondContact O-N 3.25Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.94Å
185M96.3Very high93Very high14 Ų1465 Ų657%0.06933%0.326CS..Hα-helixtrans-65-35.1178.3-63.7-53.5-69.900112.3M131 V155 Y181 P182 M188 K189M131-M185 HydrophobicContact CB-CE 4.21Å; M131-M185 HydrophobicContact CE-CB 4.37Å; M131-M185 HydrophobicContact CE-CE 3.58Å; M131-M185 HydrophobicContact CG-CE 3.6Å; M131-M185 HydrophobicContact SD-CE 4.09Å; V155-M185 HydrophobicContact CG1-SD 4.21Å; V155-M185 HydrophobicContact CG2-SD 4.27Å; Y181-M185 HydrophobicContact CD1-CG 4.29Å; Y181-M185 HydrophobicContact CD2-CG 3.96Å; Y181-M185 HydrophobicContact CD2-SD 4.3Å; Y181-M185 HydrophobicContact CE1-CG 3.84Å; Y181-M185 HydrophobicContact CE2-CG 3.47Å; Y181-M185 VanDerWaalsContact CE2-CG 3.47Å; Y181-M185 HydrophobicContact CE2-SD 3.52Å; Y181-M185 VanDerWaalsContact CE2-SD 3.52Å; Y181-M185 HydrophobicContact CG-CG 4.35Å; Y181-M185 WeakPolarHBondContact O-CG 3.45Å; Y181-M185 PolarHBondContact O-N 3.37Å; P182-M185 PolarHBondContact O-N 2.89Å; M185-M188 HydrophobicContact CE-SD 4.34Å; M185-M188 PolarHBondContact O-N 2.9Å; M185-M188 HydrophobicContact SD-SD 4.48Å; M185-K189 WeakPolarHBondContact O-CB 3.46Å; M185-K189 PolarHBondContact O-N 3.39Å
186M94.6Very high92.7Very high124 Ų12465 Ų6561%0.61133%0.326SS*.Hα-helixtrans-64.3-45.2174.5-176.71786600111.8P182 A183 F184 K189 H190P182-M186 WeakPolarHBondContact O-CB 3.5Å; P182-M186 PolarHBondContact O-N 3.31Å; A183-M186 PolarHBondContact O-N 2.89Å; F184-M186 VanDerWaalsContact C-N 3.31Å; F184-M186 PolarHBondContact O-N 2.94Å; M186-K189 PolarHBondContact O-N 3.38Å; M186-H190 WeakPolarHBondContact O-CB 3.38Å; M186-H190 PolarHBondContact O-N 3.42Å
187E94.6Very high92.3Very high42 Ų4262.7 Ų62.720%0.19632%0.317CS..Hα-helixtrans-64.4-41.6175.6-73.4-70.7153.100111.8W166 K170 L177 A183 F184 K189 H190 V191W166-E187 HydrophobicContact CH2-CB 4.48Å; W166-E187 HydrophobicContact CZ2-CB 4.26Å; K170-E187 WeakPolarHBondContact CE-OE2 3.48Å; K170-E187 IonicContact NZ-OE2 3.88Å; K170-E187 PolarHBondContact NZ-OE2 3.45Å; L177-E187 HydrophobicContact CD1-CG 4.29Å; L177-E187 HydrophobicContact CD2-CG 4.25Å; A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 2.93Å; F184-E187 PolarHBondContact O-N 3.25Å; E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å; E187-H190 PolarHBondContact O-N 3.16Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.29Å; E187-V191 WeakPolarHBondContact O-CG2 3.41Å; E187-V191 PolarHBondContact O-N 3.06Å
188M94.3Very high91.9Very high0 Ų068.3 Ų68.30%034%0.338CS..Hα-helixtrans-59-48174.7-178.6178.4179.800110.8F120 L127 F130 V155 M159 W166 F184 M185 H190 V191 F192F120-M188 HydrophobicContact CD1-CE 3.4Å; F120-M188 VanDerWaalsContact CD1-CE 3.4Å; F120-M188 HydrophobicContact CE1-CE 3.4Å; F120-M188 VanDerWaalsContact CE1-CE 3.4Å; F120-M188 HydrophobicContact CG-CE 4.21Å; F120-M188 HydrophobicContact CZ-CE 4.19Å; L127-M188 HydrophobicContact CD1-CE 3.65Å; L127-M188 HydrophobicContact CD1-CG 4.14Å; L127-M188 HydrophobicContact CD1-SD 4.46Å; F130-M188 HydrophobicContact CD1-CE 3.53Å; F130-M188 HydrophobicContact CE1-CE 3.37Å; F130-M188 HydrophobicContact CE1-SD 4.17Å; V155-M188 HydrophobicContact CG1-SD 4.22Å; M159-M188 HydrophobicContact CE-CE 3.9Å; M159-M188 HydrophobicContact CE-SD 4.21Å; W166-M188 HydrophobicContact CH2-CB 3.74Å; W166-M188 HydrophobicContact CH2-CG 4.35Å; W166-M188 HydrophobicContact CZ3-CB 4.1Å; W166-M188 HydrophobicContact CZ3-CG 4.26Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.94Å; M185-M188 HydrophobicContact CE-SD 4.34Å; M185-M188 PolarHBondContact O-N 2.9Å; M185-M188 HydrophobicContact SD-SD 4.48Å; M188-H190 PolarHBondContact O-N 3.09Å; M188-V191 PolarHBondContact O-N 3.16Å; M188-F192 HydrophobicContact CG-CD2 3.92Å; M188-F192 HydrophobicContact CG-CE2 4.41Å; M188-F192 WeakPolarHBondContact O-CD2 3.46Å; M188-F192 PolarHBondContact O-N 3.34Å
189K92.7Very high91.7Very high96 Ų9671.1 Ų71.142%0.41735%0.35SS..Hα-helixtrans-58.8-49.6176-173.3176.8177.1179.10110.6M185 M186 E187 V191 F192 E193M185-K189 WeakPolarHBondContact O-CB 3.46Å; M185-K189 PolarHBondContact O-N 3.39Å; M186-K189 PolarHBondContact O-N 3.38Å; E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 2.98Å; K189-F192 PolarHBondContact O-N 3.25Å; K189-E193 VanDerWaalsContact CE-CD 3.43Å; K189-E193 WeakPolarHBondContact CE-OE1 3.14Å; K189-E193 VanDerWaalsContact CE-OE2 3.28Å; K189-E193 WeakPolarHBondContact CE-OE2 3.44Å; K189-E193 HydrophobicContact CG-CB 4.33Å; K189-E193 IonicContact NZ-OE1 3.47Å; K189-E193 WeakPolarHBondContact O-CA 3.26Å; K189-E193 WeakPolarHBondContact O-CB 3.38Å; K189-E193 PolarHBondContact O-N 2.84Å
190H90.8Very high91.5Very high142 Ų14268.1 Ų68.166%0.65734%0.339SS*.Hα-helixtrans-58.7-37-179.4-176.963.1000113.8M186 E187 M188M186-H190 WeakPolarHBondContact O-CB 3.38Å; M186-H190 PolarHBondContact O-N 3.42Å; E187-H190 PolarHBondContact O-N 3.16Å; M188-H190 PolarHBondContact O-N 3.09Å
191V92.3Very high91.5Very high63 Ų6365.2 Ų65.238%0.38232%0.324SS..Hα-helixtrans-81.7-38.5-175.7170.40000112.9W166 E187 M188 K189W166-V191 HydrophobicContact CD2-CG1 4.41Å; W166-V191 HydrophobicContact CG-CG1 4.29Å; W166-V191 HydrophobicContact CZ2-CB 4.14Å; W166-V191 HydrophobicContact CZ2-CG2 3.89Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.29Å; E187-V191 WeakPolarHBondContact O-CG2 3.41Å; E187-V191 PolarHBondContact O-N 3.06Å; M188-V191 PolarHBondContact O-N 3.16Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 2.98Å
192F92.9Very high91.4Very high15 Ų1565.8 Ų65.87%0.06633%0.327CS..Hα-helixtrans-102.6-11.1-174.4-65.1-70.3000114.2F120 P124 L127 M159 A163 W166 M188 K189F120-F192 HydrophobicContact CE1-CB 4.39Å; F120-F192 HydrophobicContact CE1-CD1 4.21Å; F120-F192 AromaticContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CE2 4.23Å; F120-F192 AromaticContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CZ-CB 4Å; F120-F192 HydrophobicContact CZ-CD1 4.25Å; F120-F192 HydrophobicContact CZ-CD2 4.35Å; F120-F192 AromaticContact CZ-CG 3.94Å; F120-F192 HydrophobicContact CZ-CG 3.94Å; P124-F192 WeakPolarHBondContact CA-O 3.44Å; P124-F192 VanDerWaalsContact CB-O 3.25Å; P124-F192 WeakPolarHBondContact CB-O 3.32Å; L127-F192 HydrophobicContact CD1-CB 4.09Å; L127-F192 HydrophobicContact CD2-CB 3.97Å; M159-F192 HydrophobicContact CE-CE2 4.09Å; A163-F192 HydrophobicContact CB-CE1 4.48Å; A163-F192 HydrophobicContact CB-CZ 4.11Å; W166-F192 HydrophobicContact CB-CZ 3.9Å; W166-F192 AromaticContact CD2-CE2 3.67Å; W166-F192 HydrophobicContact CD2-CE2 3.67Å; W166-F192 AromaticContact CD2-CZ 3.92Å; W166-F192 HydrophobicContact CD2-CZ 3.92Å; W166-F192 AromaticContact CE3-CE2 3.45Å; W166-F192 HydrophobicContact CE3-CE2 3.45Å; W166-F192 VanDerWaalsContact CE3-CE2 3.45Å; W166-F192 AromaticContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CG-CE2 4.16Å; W166-F192 AromaticContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CH2-CE2 4.47Å; W166-F192 AromaticContact CZ3-CE2 3.9Å; W166-F192 HydrophobicContact CZ3-CE2 3.9Å; M188-F192 HydrophobicContact CG-CD2 3.92Å; M188-F192 HydrophobicContact CG-CE2 4.41Å; M188-F192 WeakPolarHBondContact O-CD2 3.46Å; M188-F192 PolarHBondContact O-N 3.34Å; K189-F192 PolarHBondContact O-N 3.25Å
193E88.3Confident91.4Very high94 Ų9467.5 Ų67.544%0.43932%0.323SS..SBendtrans-70.1131171.6-174.5167.2-128.900109.3L127 K189 P195L127-E193 HydrophobicContact CD2-CB 4.12Å; K189-E193 VanDerWaalsContact CE-CD 3.43Å; K189-E193 WeakPolarHBondContact CE-OE1 3.14Å; K189-E193 VanDerWaalsContact CE-OE2 3.28Å; K189-E193 WeakPolarHBondContact CE-OE2 3.44Å; K189-E193 HydrophobicContact CG-CB 4.33Å; K189-E193 IonicContact NZ-OE1 3.47Å; K189-E193 WeakPolarHBondContact O-CA 3.26Å; K189-E193 WeakPolarHBondContact O-CB 3.38Å; K189-E193 PolarHBondContact O-N 2.84Å; E193-P195 WeakPolarHBondContact O-CD 3.44Å
194D84.2Confident91.4Very high62 Ų6272.8 Ų72.833%0.33234%0.343SS..  trans-73.4112.6176.2172.610.6000109.8P124 Q196 R197P124-D194 HydrophobicContact CB-CB 4.06Å; D194-Q196 PolarHBondContact O-N 3.47Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.31Å; D194-Q196 PolarHBondContact OD1-N 3.04Å; D194-R197 HydrophobicContact CB-CB 4.03Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.06Å
195P78.4Confident91.4Very high122 Ų12272.8 Ų72.879%0.79234%0.344SS*.THydrogen-bonded Turntrans-62.7-22.2-178.9-19.933.5000113E193E193-P195 WeakPolarHBondContact O-CD 3.44Å
196Q85.2Confident91.4Very high129 Ų12979.3 Ų79.360%0.60337%0.368SS*.THydrogen-bonded Turntrans-91.1-9.7-179.8-60.2-163.5-32.700113.2D194 R198 E199 V200D194-Q196 PolarHBondContact O-N 3.47Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.31Å; D194-Q196 PolarHBondContact OD1-N 3.04Å; Q196-R198 VanDerWaalsContact C-N 3.3Å; Q196-R198 PolarHBondContact O-N 2.89Å; Q196-E199 CarbonylContact O-C 3.57Å; Q196-E199 PolarHBondContact O-N 3.42Å; Q196-V200 HydrophobicContact CB-CG2 4.4Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å
197R85.8Confident91.5Very high79 Ų7982.6 Ų82.630%0.29837%0.373SS..Hα-helixtrans-51.9-48.9-175.3-175.6169.5173176.2-8.5112.2D194 E199 V200 A201 D228D194-R197 HydrophobicContact CB-CB 4.03Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.06Å; R197-E199 PolarHBondContact O-N 2.97Å; R197-V200 PolarHBondContact O-N 2.73Å; R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 3.48Å; R197-D228 HydrophobicContact CG-CB 4.41Å; R197-D228 WeakPolarHBondContact CG-OD2 3.49Å; R197-D228 IonicContact CZ-OD1 3.82Å; R197-D228 IonicContact CZ-OD2 2.95Å; R197-D228 IonicContact NE-OD1 3.73Å; R197-D228 PolarHBondContact NE-OD1 3.03Å; R197-D228 IonicContact NE-OD2 2.66Å; R197-D228 PolarHBondContact NE-OD2 3.33Å; R197-D228 IonicContact NH2-OD1 2.84Å; R197-D228 PolarHBondContact NH2-OD1 2.92Å; R197-D228 IonicContact NH2-OD2 3.74Å
198R87Confident91.7Very high118 Ų11882.2 Ų82.245%0.44537%0.372SS..Hα-helixtrans-62.9-40.1176.7-175.4171.662.9127.52.2113.1Q196 A201 K202 D228 D230Q196-R198 VanDerWaalsContact C-N 3.3Å; Q196-R198 PolarHBondContact O-N 2.89Å; R198-A201 PolarHBondContact O-N 3.4Å; R198-K202 WeakPolarHBondContact O-CG 3.42Å; R198-K202 PolarHBondContact O-N 3.44Å; R198-D228 WeakPolarHBondContact CG-O 3.44Å; R198-D230 WeakPolarHBondContact CD-OD2 3.37Å; R198-D230 IonicContact CZ-OD2 3.89Å; R198-D230 IonicContact NE-OD2 2.63Å; R198-D230 IonicContact NH1-OD2 3.64Å; R198-D230 PolarHBondContact NH1-OD2 2.97Å
199E90.1Very high91.8Very high95 Ų9588.5 Ų88.544%0.44440%0.396SS..Hα-helixtrans-72.8-33.8179.7-168.555.6-144.200112Q196 R197 K202 R203Q196-E199 CarbonylContact O-C 3.57Å; Q196-E199 PolarHBondContact O-N 3.42Å; R197-E199 PolarHBondContact O-N 2.97Å; E199-K202 IonicContact OE2-NZ 2.76Å; E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-R203 VanDerWaalsContact O-N 3.14Å; E199-R203 PolarHBondContact O-NE 3.15Å
200V92.8Very high92Very high40 Ų4084.5 Ų84.524%0.24238%0.379CS..Hα-helixtrans-65.4-45.4169.9172.70000110Q196 R197 K202 R203 K204Q196-V200 HydrophobicContact CB-CG2 4.4Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å; R197-V200 PolarHBondContact O-N 2.73Å; V200-K202 PolarHBondContact O-N 3.39Å; V200-R203 PolarHBondContact O-N 2.9Å; V200-K204 HydrophobicContact CG1-CD 3.9Å; V200-K204 HydrophobicContact CG1-CG 4.22Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 WeakPolarHBondContact O-CG 3.5Å; V200-K204 PolarHBondContact O-N 3.41Å
201A94.8Very high92.1Very high3 Ų380.1 Ų80.13%0.02537%0.372CS..Hα-helixtrans-59.1-45.2176.100000111.7R197 R198 R203 K204 I205 I225 D228 L229R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 3.48Å; R198-A201 PolarHBondContact O-N 3.4Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.42Å; A201-K204 PolarHBondContact O-N 3.1Å; A201-I205 PolarHBondContact O-N 3.06Å; A201-I225 HydrophobicContact CB-CG2 3.94Å; A201-I225 VanDerWaalsContact O-CG2 3.27Å; A201-I225 WeakPolarHBondContact O-CG2 3.23Å; A201-D228 HydrophobicContact CB-CB 3.67Å; A201-L229 HydrophobicContact CB-CD2 3.75Å; A201-L229 HydrophobicContact CB-CG 4.17Å
202K94.5Very high92Very high48 Ų4886.9 Ų86.921%0.20940%0.402CS..Hα-helixtrans-58.1-43.3175.3-76.1176.8-173.9171.90112.4R198 E199 V200 I205 R206 L229 W231R198-K202 WeakPolarHBondContact O-CG 3.42Å; R198-K202 PolarHBondContact O-N 3.44Å; E199-K202 IonicContact OE2-NZ 2.76Å; V200-K202 PolarHBondContact O-N 3.39Å; K202-I205 WeakPolarHBondContact O-CG2 3.26Å; K202-R206 WeakPolarHBondContact O-CB 3.24Å; K202-R206 VanDerWaalsContact O-CG 3.27Å; K202-R206 WeakPolarHBondContact O-CG 2.81Å; K202-R206 PolarHBondContact O-N 3.17Å; K202-L229 HydrophobicContact CB-CD2 4.35Å; K202-L229 HydrophobicContact CG-CD2 3.53Å; K202-W231 HydrophobicContact CG-CZ2 4.37Å
203R95.8Very high91.9Very high117 Ų11787.8 Ų87.844%0.44242%0.416SS..Hα-helixtrans-69.9-39.2176.9-73.8-176.3-69157.4-2.8112.2E199 V200 A201 R207E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-R203 VanDerWaalsContact O-N 3.14Å; E199-R203 PolarHBondContact O-NE 3.15Å; V200-R203 PolarHBondContact O-N 2.9Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.42Å; R203-R207 VanDerWaalsContact O-CG 3.3Å; R203-R207 WeakPolarHBondContact O-CG 3.35Å; R203-R207 PolarHBondContact O-N 2.75Å
204K96.8Very high92.3Very high125 Ų12584.9 Ų84.954%0.54341%0.406SS..Hα-helixtrans-64.4-49.9177.9-78.3179.4178.21760111.1V200 A201 R206 R207 L208 I225V200-K204 HydrophobicContact CG1-CD 3.9Å; V200-K204 HydrophobicContact CG1-CG 4.22Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 WeakPolarHBondContact O-CG 3.5Å; V200-K204 PolarHBondContact O-N 3.41Å; A201-K204 PolarHBondContact O-N 3.1Å; K204-R206 PolarHBondContact O-N 3.09Å; K204-R207 CarbonylContact O-C 3.51Å; K204-R207 PolarHBondContact O-N 3.31Å; K204-R207 VanDerWaalsContact O-N 3.15Å; K204-L208 PolarHBondContact O-N 2.85Å; K204-I225 HydrophobicContact CB-CD1 4.02Å; K204-I225 HydrophobicContact CB-CG1 4.4Å; K204-I225 HydrophobicContact CB-CG2 4.09Å
205I97.4Very high92.9Very high1 Ų182 Ų821%0.00539%0.39CS..Hα-helixtrans-63.7-41-176.3-154.5164.6000111.9A201 K202 R207 L208 F222 I225 A226 L229 W231 L236 Q239A201-I205 PolarHBondContact O-N 3.06Å; K202-I205 WeakPolarHBondContact O-CG2 3.26Å; I205-R207 PolarHBondContact O-N 3.46Å; I205-L208 WeakPolarHBondContact O-CB 3.32Å; I205-L208 PolarHBondContact O-N 3.26Å; I205-L208 VanDerWaalsContact O-N 3.15Å; I205-F222 HydrophobicContact CD1-CD1 4.4Å; I205-F222 HydrophobicContact CD1-CD2 4.11Å; I205-F222 HydrophobicContact CD1-CE1 4Å; I205-F222 HydrophobicContact CD1-CE2 3.68Å; I205-F222 HydrophobicContact CD1-CG 4.45Å; I205-F222 HydrophobicContact CD1-CZ 3.61Å; I205-F222 HydrophobicContact CG1-CD2 3.88Å; I205-F222 HydrophobicContact CG1-CE2 3.6Å; I205-F222 HydrophobicContact CG1-CZ 4.09Å; I205-I225 HydrophobicContact CB-CG2 3.72Å; I205-I225 HydrophobicContact CD1-CG2 4.41Å; I205-I225 HydrophobicContact CG1-CG2 4.3Å; I205-A226 HydrophobicContact CD1-CB 4.28Å; I205-L229 HydrophobicContact CB-CD1 4.1Å; I205-L229 HydrophobicContact CD1-CD1 3.41Å; I205-L229 VanDerWaalsContact CD1-CD1 3.41Å; I205-L229 HydrophobicContact CG1-CD1 4.36Å; I205-L229 HydrophobicContact CG2-CD1 3.73Å; I205-W231 HydrophobicContact CG2-CH2 3.85Å; I205-W231 HydrophobicContact CG2-CZ2 4.3Å; I205-W231 HydrophobicContact CG2-CZ3 4.28Å; I205-L236 HydrophobicContact CD1-CD2 4.45Å; I205-Q239 HydrophobicContact CG1-CG 4.17Å; I205-Q239 HydrophobicContact CG2-CG 4.42Å
206R96.6Very high93.8Very high151 Ų15179.3 Ų79.357%0.5737%0.368SS*.Hα-helixtrans-64.3-27.8177.9-74.4178.6177.1-160.1-0.8113.4K202 K204 R209 W231K202-R206 WeakPolarHBondContact O-CB 3.24Å; K202-R206 VanDerWaalsContact O-CG 3.27Å; K202-R206 WeakPolarHBondContact O-CG 2.81Å; K202-R206 PolarHBondContact O-N 3.17Å; K204-R206 PolarHBondContact O-N 3.09Å; R206-R209 PolarHBondContact O-NH1 3.16Å; R206-W231 HydrophobicContact CG-CH2 4.38Å
207R96.9Very high94.3Very high193 Ų19378 Ų7873%0.72837%0.366SS*.Hα-helixtrans-94.7-9.8178.7-67.4175.9-177.6-176.2-0.6112.9R203 K204 I205 R209R203-R207 VanDerWaalsContact O-CG 3.3Å; R203-R207 WeakPolarHBondContact O-CG 3.35Å; R203-R207 PolarHBondContact O-N 2.75Å; K204-R207 CarbonylContact O-C 3.51Å; K204-R207 PolarHBondContact O-N 3.31Å; K204-R207 VanDerWaalsContact O-N 3.15Å; I205-R207 PolarHBondContact O-N 3.46Å; R207-R209 PolarHBondContact O-N 3.26Å
208L97.6Very high94.9Very high34 Ų3474.7 Ų74.718%0.17835%0.353CS..  trans-68.1130.5-178.9-169.670.7000109.2K204 I205 Y218 A221 F222 I225K204-L208 PolarHBondContact O-N 2.85Å; I205-L208 WeakPolarHBondContact O-CB 3.32Å; I205-L208 PolarHBondContact O-N 3.26Å; I205-L208 VanDerWaalsContact O-N 3.15Å; L208-Y218 HydrophobicContact CB-CE2 4.45Å; L208-Y218 HydrophobicContact CD2-CD2 4Å; L208-Y218 HydrophobicContact CD2-CE2 3.72Å; L208-Y218 HydrophobicContact CG-CD2 3.98Å; L208-Y218 HydrophobicContact CG-CE2 3.69Å; L208-A221 HydrophobicContact CD1-CB 4.16Å; L208-A221 HydrophobicContact CD2-CB 4.24Å; L208-F222 VanDerWaalsContact CD2-CA 3.5Å; L208-F222 HydrophobicContact CD2-CB 3.71Å; L208-F222 HydrophobicContact CD2-CD2 4.02Å; L208-F222 HydrophobicContact CD2-CG 4.33Å; L208-I225 HydrophobicContact CD1-CD1 4.28Å; L208-I225 HydrophobicContact CD2-CD1 4.07Å
209R97.1Very high95.4Very high132 Ų13269.2 Ų69.250%0.49833%0.333SS..  trans-136.3141.3176.9-64.7-61.7-179.1-90.46.5108.6R206 R207 G211 G243R206-R209 PolarHBondContact O-NH1 3.16Å; R207-R209 PolarHBondContact O-N 3.26Å; R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.43Å; R209-G243 CarbonylContact C-O 3.47Å; R209-G243 WeakPolarHBondContact CA-O 3.31Å
210Q96.8Very high95.7Very high12 Ų1268.5 Ų68.56%0.05633%0.332CS..  trans-61.2-41.9174.8-176.8-169-10.700110.8M212 G213 Y218 G243 S245Q210-M212 PolarHBondContact O-N 2.94Å; Q210-G213 PolarHBondContact NE2-O 3.38Å; Q210-G213 PolarHBondContact O-N 2.93Å; Q210-G213 VanDerWaalsContact O-N 3.07Å; Q210-Y218 HydrophobicContact CB-CD1 4.18Å; Q210-Y218 HydrophobicContact CB-CD2 3.99Å; Q210-Y218 HydrophobicContact CB-CG 3.79Å; Q210-Y218 HydrophobicContact CG-CG 4.21Å; Q210-G243 PolarHBondContact N-O 3.32Å; Q210-S245 VanDerWaalsContact CD-OG 3.32Å; Q210-S245 PolarHBondContact NE2-OG 3.48Å; Q210-S245 PolarHBondContact OE1-OG 3.36Å
211G92.9Very high95.9Very high50 Ų5068.3 Ų68.352%0.51534%0.335SS..THydrogen-bonded Turntrans59.7-132.2-177.400000111.9R209 G213R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.43Å; G211-G213 VanDerWaalsContact C-N 3.34Å
212M89.6Confident96.1Very high204 Ų20468.1 Ų68.1100%1.00533%0.334SS*.THydrogen-bonded Turntrans-90.12.7174.2-61.9-174.6-68.700113.3Q210Q210-M212 PolarHBondContact O-N 2.94Å
213G92Very high96.2Very high35 Ų3569.9 Ų69.936%0.36134%0.342SS..SBendtrans-75.6166.6179.800000112.7Q210 G211Q210-G213 PolarHBondContact NE2-O 3.38Å; Q210-G213 PolarHBondContact O-N 2.93Å; Q210-G213 VanDerWaalsContact O-N 3.07Å; G211-G213 VanDerWaalsContact C-N 3.34Å
214S95.8Very high96.1Very high33 Ų3370.6 Ų70.623%0.23135%0.352CS..  trans-68.4153.4175.176.60000111.1I216 D217 Y218 E272S214-I216 PolarHBondContact O-N 2.89Å; S214-I216 PolarHBondContact OG-N 3.37Å; S214-D217 PolarHBondContact O-N 3.46Å; S214-D217 PolarHBondContact OG-N 2.66Å; S214-D217 VanDerWaalsContact OG-N 3.08Å; S214-D217 PolarHBondContact OG-OD2 3.05Å; S214-Y218 PolarHBondContact O-N 3.29Å; S214-E272 VanDerWaalsContact CA-OE1 3.26Å; S214-E272 WeakPolarHBondContact CA-OE1 3.38Å
215V97.1Very high96.1Very high0 Ų065.9 Ų65.90%033%0.333CS..Hα-helixtrans-56.8-391721720000110.3Y218 S219 I248 C268 I269 E272V215-Y218 PolarHBondContact O-N 3.24Å; V215-S219 WeakPolarHBondContact O-CB 3.32Å; V215-S219 PolarHBondContact O-N 3.47Å; V215-S219 PolarHBondContact O-OG 3.44Å; V215-I248 HydrophobicContact CG2-CD1 4.26Å; V215-I248 HydrophobicContact CG2-CG1 4.18Å; V215-C268 HydrophobicContact CG1-CB 3.42Å; V215-C268 VanDerWaalsContact CG1-CB 3.42Å; V215-C268 HydrophobicContact CG2-CB 4.32Å; V215-I269 HydrophobicContact CB-CG1 4.41Å; V215-I269 HydrophobicContact CG1-CG1 3.81Å; V215-E272 HydrophobicContact CG2-CB 3.96Å; V215-E272 HydrophobicContact CG2-CG 4.34Å; V215-E272 PolarHBondContact N-OE1 3.5Å
216I96.5Very high96Very high66 Ų6666.6 Ų66.634%0.33834%0.339SS..Hα-helixtrans-62.7-47-178.5-63.4175.9000111.3S214 Y218 S219 N220 I269S214-I216 PolarHBondContact O-N 2.89Å; S214-I216 PolarHBondContact OG-N 3.37Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.02Å; I216-S219 PolarHBondContact O-N 2.88Å; I216-N220 VanDerWaalsContact O-CG 3.28Å; I216-N220 PolarHBondContact O-N 3.5Å; I216-N220 PolarHBondContact O-ND2 3.08Å; I216-I269 HydrophobicContact CG1-CD1 3.93Å; I216-I269 HydrophobicContact CG1-CG1 3.96Å
217D96.8Very high95.8Very high102 Ų10266.9 Ų66.955%0.54535%0.347SS..Hα-helixtrans-63.5-41.5179.9-60.9-41.5000111.1S214 N220 A221S214-D217 PolarHBondContact O-N 3.46Å; S214-D217 PolarHBondContact OG-N 2.66Å; S214-D217 VanDerWaalsContact OG-N 3.08Å; S214-D217 PolarHBondContact OG-OD2 3.05Å; D217-N220 PolarHBondContact O-N 3.29Å; D217-A221 WeakPolarHBondContact O-CB 3.48Å; D217-A221 PolarHBondContact O-N 3.39Å
218Y97.9Very high95.5Very high9 Ų959.8 Ų59.84%0.03532%0.323CS..Hα-helixtrans-62.7-45.3173.8172.6-108.6000112L208 Q210 S214 V215 I216 N220 A221 F222 Y240 G243 L244L208-Y218 HydrophobicContact CB-CE2 4.45Å; L208-Y218 HydrophobicContact CD2-CD2 4Å; L208-Y218 HydrophobicContact CD2-CE2 3.72Å; L208-Y218 HydrophobicContact CG-CD2 3.98Å; L208-Y218 HydrophobicContact CG-CE2 3.69Å; Q210-Y218 HydrophobicContact CB-CD1 4.18Å; Q210-Y218 HydrophobicContact CB-CD2 3.99Å; Q210-Y218 HydrophobicContact CB-CG 3.79Å; Q210-Y218 HydrophobicContact CG-CG 4.21Å; S214-Y218 PolarHBondContact O-N 3.29Å; V215-Y218 PolarHBondContact O-N 3.24Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.02Å; Y218-N220 PolarHBondContact O-N 3.43Å; Y218-A221 PolarHBondContact O-N 2.89Å; Y218-F222 WeakPolarHBondContact O-CB 3.36Å; Y218-F222 PolarHBondContact O-N 3.46Å; Y218-Y240 HydrophobicContact CD1-CD2 4.47Å; Y218-Y240 AromaticContact CD1-CE2 3.67Å; Y218-Y240 HydrophobicContact CD1-CE2 3.67Å; Y218-Y240 AromaticContact CD1-CZ 3.7Å; Y218-Y240 HydrophobicContact CE1-CD1 4.32Å; Y218-Y240 AromaticContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CE1 4.02Å; Y218-Y240 AromaticContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CG 4.17Å; Y218-Y240 AromaticContact CE1-CZ 3.49Å; Y218-Y240 VanDerWaalsContact CE1-CZ 3.49Å; Y218-Y240 PolarHBondContact OH-O 3.07Å; Y218-G243 WeakPolarHBondContact OH-CA 3.21Å; Y218-L244 HydrophobicContact CD1-CD2 3.8Å; Y218-L244 HydrophobicContact CE1-CD2 3.62Å; Y218-L244 HydrophobicContact CE1-CG 4.08Å
219S97.7Very high95.2Very high3 Ų359.1 Ų59.12%0.02132%0.32CS..Hα-helixtrans-57.8-46.8176.4-58.30000112V215 I216 F222 Q223 Y240 I265V215-S219 WeakPolarHBondContact O-CB 3.32Å; V215-S219 PolarHBondContact O-N 3.47Å; V215-S219 PolarHBondContact O-OG 3.44Å; I216-S219 PolarHBondContact O-N 2.88Å; S219-F222 PolarHBondContact O-N 3.23Å; S219-Q223 WeakPolarHBondContact O-CB 3.36Å; S219-Q223 WeakPolarHBondContact O-CG 3.46Å; S219-Q223 PolarHBondContact O-N 3.21Å; S219-Y240 PolarHBondContact OG-OH 2.91Å; S219-I265 WeakPolarHBondContact OG-CG2 3.3Å
220N97.2Very high94.8Very high81 Ų8158.5 Ų58.543%0.43333%0.326SS..Hα-helixtrans-62.7-47.7179.4-69.7-23.8000111.1I216 D217 Y218 F222 Q223 M224I216-N220 VanDerWaalsContact O-CG 3.28Å; I216-N220 PolarHBondContact O-N 3.5Å; I216-N220 PolarHBondContact O-ND2 3.08Å; D217-N220 PolarHBondContact O-N 3.29Å; Y218-N220 PolarHBondContact O-N 3.43Å; N220-F222 VanDerWaalsContact C-N 3.32Å; N220-F222 PolarHBondContact O-N 3.48Å; N220-Q223 PolarHBondContact O-N 3.01Å; N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 VanDerWaalsContact O-CG 3.31Å; N220-M224 WeakPolarHBondContact O-CG 3.34Å; N220-M224 PolarHBondContact O-N 3.42Å
221A97.2Very high94.7Very high35 Ų3560.7 Ų60.729%0.28933%0.334SS..Hα-helixtrans-60.9-42.3177.300000111.9L208 D217 Y218 I225L208-A221 HydrophobicContact CD1-CB 4.16Å; L208-A221 HydrophobicContact CD2-CB 4.24Å; D217-A221 WeakPolarHBondContact O-CB 3.48Å; D217-A221 PolarHBondContact O-N 3.39Å; Y218-A221 PolarHBondContact O-N 2.89Å; A221-I225 WeakPolarHBondContact O-CD1 3.31Å; A221-I225 VanDerWaalsContact O-CG1 3.29Å; A221-I225 WeakPolarHBondContact O-CG1 3.38Å; A221-I225 PolarHBondContact O-N 3.19Å; A221-I225 VanDerWaalsContact O-N 3.16Å
222F98.1Very high94.7Very high0 Ų063.3 Ų63.30%034%0.336CS..Hα-helixtrans-62.6-48.9177.6-172.9-82.4000111.4I205 L208 Y218 S219 N220 M224 I225 A226 L236 Q239 Y240 L261I205-F222 HydrophobicContact CD1-CD1 4.4Å; I205-F222 HydrophobicContact CD1-CD2 4.11Å; I205-F222 HydrophobicContact CD1-CE1 4Å; I205-F222 HydrophobicContact CD1-CE2 3.68Å; I205-F222 HydrophobicContact CD1-CG 4.45Å; I205-F222 HydrophobicContact CD1-CZ 3.61Å; I205-F222 HydrophobicContact CG1-CD2 3.88Å; I205-F222 HydrophobicContact CG1-CE2 3.6Å; I205-F222 HydrophobicContact CG1-CZ 4.09Å; L208-F222 VanDerWaalsContact CD2-CA 3.5Å; L208-F222 HydrophobicContact CD2-CB 3.71Å; L208-F222 HydrophobicContact CD2-CD2 4.02Å; L208-F222 HydrophobicContact CD2-CG 4.33Å; Y218-F222 WeakPolarHBondContact O-CB 3.36Å; Y218-F222 PolarHBondContact O-N 3.46Å; S219-F222 PolarHBondContact O-N 3.23Å; N220-F222 VanDerWaalsContact C-N 3.32Å; N220-F222 PolarHBondContact O-N 3.48Å; F222-M224 PolarHBondContact O-N 2.98Å; F222-I225 PolarHBondContact O-N 3.42Å; F222-A226 HydrophobicContact CD1-CB 4.41Å; F222-A226 HydrophobicContact CE1-CB 4.37Å; F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 3.27Å; F222-L236 HydrophobicContact CE1-CB 4.44Å; F222-L236 HydrophobicContact CE1-CD2 4.14Å; F222-L236 HydrophobicContact CZ-CD2 4.3Å; F222-L236 WeakPolarHBondContact CZ-O 3.45Å; F222-Q239 HydrophobicContact CE2-CB 4.3Å; F222-Q239 HydrophobicContact CE2-CG 4.01Å; F222-Q239 HydrophobicContact CZ-CB 4.29Å; F222-Q239 HydrophobicContact CZ-CG 4.38Å; F222-Y240 HydrophobicContact CB-CD2 4.07Å; F222-Y240 HydrophobicContact CB-CE2 4.16Å; F222-Y240 AromaticContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CE2 4.47Å; F222-Y240 AromaticContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CE1-CD2 4.05Å; F222-Y240 VanDerWaalsContact CE2-CA 3.49Å; F222-Y240 HydrophobicContact CE2-CD2 4.05Å; F222-Y240 HydrophobicContact CE2-CG 4.46Å; F222-Y240 AromaticContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CE2 4.17Å; F222-Y240 HydrophobicContact CZ-CD2 4.2Å; F222-L261 HydrophobicContact CD1-CD2 4.36Å; F222-L261 HydrophobicContact CE1-CD1 4.24Å; F222-L261 HydrophobicContact CE1-CD2 4.05Å
223Q96.5Very high95Very high84 Ų8457.9 Ų57.939%0.39331%0.308SS..Hα-helixtrans-62.5-41.4179.9-75.2179.6-36.200112S219 N220 I225 A226 Q227 I265S219-Q223 WeakPolarHBondContact O-CB 3.36Å; S219-Q223 WeakPolarHBondContact O-CG 3.46Å; S219-Q223 PolarHBondContact O-N 3.21Å; N220-Q223 PolarHBondContact O-N 3.01Å; Q223-I225 VanDerWaalsContact C-N 3.32Å; Q223-I225 PolarHBondContact O-N 2.93Å; Q223-A226 PolarHBondContact O-N 3.37Å; Q223-Q227 WeakPolarHBondContact O-CG 3.28Å; Q223-Q227 PolarHBondContact O-N 3.16Å; Q223-Q227 VanDerWaalsContact O-N 3.17Å; Q223-I265 HydrophobicContact CG-CD1 4.27Å
224M94.6Very high95.1Very high132 Ų13259.9 Ų59.965%0.6532%0.315SS*.Hα-helixtrans-58.5-43.2174.7-76.218058.500112.2N220 F222N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 VanDerWaalsContact O-CG 3.31Å; N220-M224 WeakPolarHBondContact O-CG 3.34Å; N220-M224 PolarHBondContact O-N 3.42Å; F222-M224 PolarHBondContact O-N 2.98Å
225I95.6Very high95.1Very high26 Ų2659.9 Ų59.913%0.13332%0.317CS..Hα-helixtrans-71.6-36.1178.2-60.5161.5000110.8A201 K204 I205 L208 A221 F222 Q223 Q227 D228A201-I225 HydrophobicContact CB-CG2 3.94Å; A201-I225 VanDerWaalsContact O-CG2 3.27Å; A201-I225 WeakPolarHBondContact O-CG2 3.23Å; K204-I225 HydrophobicContact CB-CD1 4.02Å; K204-I225 HydrophobicContact CB-CG1 4.4Å; K204-I225 HydrophobicContact CB-CG2 4.09Å; I205-I225 HydrophobicContact CB-CG2 3.72Å; I205-I225 HydrophobicContact CD1-CG2 4.41Å; I205-I225 HydrophobicContact CG1-CG2 4.3Å; L208-I225 HydrophobicContact CD1-CD1 4.28Å; L208-I225 HydrophobicContact CD2-CD1 4.07Å; A221-I225 WeakPolarHBondContact O-CD1 3.31Å; A221-I225 VanDerWaalsContact O-CG1 3.29Å; A221-I225 WeakPolarHBondContact O-CG1 3.38Å; A221-I225 PolarHBondContact O-N 3.19Å; A221-I225 VanDerWaalsContact O-N 3.16Å; F222-I225 PolarHBondContact O-N 3.42Å; Q223-I225 VanDerWaalsContact C-N 3.32Å; Q223-I225 PolarHBondContact O-N 2.93Å; I225-Q227 PolarHBondContact O-N 3.43Å; I225-D228 PolarHBondContact O-N 3.37Å
226A95.3Very high95.1Very high17 Ų1761.1 Ų61.114%0.1432%0.324CS..Hα-helixtrans-65.8-23.7-178.800000113.5I205 F222 Q223 D228 L229 L236I205-A226 HydrophobicContact CD1-CB 4.28Å; F222-A226 HydrophobicContact CD1-CB 4.41Å; F222-A226 HydrophobicContact CE1-CB 4.37Å; F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 3.27Å; Q223-A226 PolarHBondContact O-N 3.37Å; A226-D228 PolarHBondContact O-N 3.33Å; A226-L229 PolarHBondContact O-N 3.25Å; A226-L229 VanDerWaalsContact O-N 3.07Å; A226-L236 HydrophobicContact CB-CD2 4.04Å
227Q91.7Very high95.1Very high157 Ų15759 Ų5973%0.73431%0.313SS*.THydrogen-bonded Turntrans-58.7-28.5174.7-73.5178-12.600113.2Q223 I225 L229Q223-Q227 WeakPolarHBondContact O-CG 3.28Å; Q223-Q227 PolarHBondContact O-N 3.16Å; Q223-Q227 VanDerWaalsContact O-N 3.17Å; I225-Q227 PolarHBondContact O-N 3.43Å; Q227-L229 VanDerWaalsContact C-N 3.33Å
228D90.8Very high95Very high44 Ų4459 Ų5924%0.23531%0.313CS..THydrogen-bonded Turntrans-93.911.8-179.5-65.9-21000112.6R197 R198 A201 I225 A226R197-D228 HydrophobicContact CG-CB 4.41Å; R197-D228 WeakPolarHBondContact CG-OD2 3.49Å; R197-D228 IonicContact CZ-OD1 3.82Å; R197-D228 IonicContact CZ-OD2 2.95Å; R197-D228 IonicContact NE-OD1 3.73Å; R197-D228 PolarHBondContact NE-OD1 3.03Å; R197-D228 IonicContact NE-OD2 2.66Å; R197-D228 PolarHBondContact NE-OD2 3.33Å; R197-D228 IonicContact NH2-OD1 2.84Å; R197-D228 PolarHBondContact NH2-OD1 2.92Å; R197-D228 IonicContact NH2-OD2 3.74Å; R198-D228 WeakPolarHBondContact CG-O 3.44Å; A201-D228 HydrophobicContact CB-CB 3.67Å; I225-D228 PolarHBondContact O-N 3.37Å; A226-D228 PolarHBondContact O-N 3.33Å
229L91.4Very high95Very high19 Ų1959.4 Ų59.410%0.09932%0.315CS..  trans-121.1138.2-174.6-61.7179.6000112.8A201 K202 I205 A226 Q227 W231A201-L229 HydrophobicContact CB-CD2 3.75Å; A201-L229 HydrophobicContact CB-CG 4.17Å; K202-L229 HydrophobicContact CB-CD2 4.35Å; K202-L229 HydrophobicContact CG-CD2 3.53Å; I205-L229 HydrophobicContact CB-CD1 4.1Å; I205-L229 HydrophobicContact CD1-CD1 3.41Å; I205-L229 VanDerWaalsContact CD1-CD1 3.41Å; I205-L229 HydrophobicContact CG1-CD1 4.36Å; I205-L229 HydrophobicContact CG2-CD1 3.73Å; A226-L229 PolarHBondContact O-N 3.25Å; A226-L229 VanDerWaalsContact O-N 3.07Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; L229-W231 HydrophobicContact CB-CG 4.23Å; L229-W231 HydrophobicContact CD1-CD2 4.3Å; L229-W231 PolarHBondContact O-N 2.96Å
230D89.7Confident95Very high119 Ų11959.2 Ų59.264%0.63631%0.314SS*.  trans-88.326.9178-26.2-45.2000111.9R198R198-D230 WeakPolarHBondContact CD-OD2 3.37Å; R198-D230 IonicContact CZ-OD2 3.89Å; R198-D230 IonicContact NE-OD2 2.63Å; R198-D230 IonicContact NH1-OD2 3.64Å; R198-D230 PolarHBondContact NH1-OD2 2.97Å
231W93.4Very high94.9Very high59 Ų5958.7 Ų58.722%0.22331%0.309CS..  trans-81.7141.6-171.6-70.618.3000111K202 I205 R206 L229 A235 L236 Q239K202-W231 HydrophobicContact CG-CZ2 4.37Å; I205-W231 HydrophobicContact CG2-CH2 3.85Å; I205-W231 HydrophobicContact CG2-CZ2 4.3Å; I205-W231 HydrophobicContact CG2-CZ3 4.28Å; R206-W231 HydrophobicContact CG-CH2 4.38Å; L229-W231 HydrophobicContact CB-CG 4.23Å; L229-W231 HydrophobicContact CD1-CD2 4.3Å; L229-W231 PolarHBondContact O-N 2.96Å; W231-A235 HydrophobicContact CB-CB 4.33Å; W231-A235 HydrophobicContact CE3-CB 4.14Å; W231-L236 HydrophobicContact CB-CD2 3.87Å; W231-L236 HydrophobicContact CB-CG 3.96Å; W231-L236 HydrophobicContact CE3-CD2 4.2Å; W231-Q239 HydrophobicContact CE3-CB 4.46Å; W231-Q239 HydrophobicContact CH2-CG 4.3Å; W231-Q239 HydrophobicContact CZ3-CB 3.71Å; W231-Q239 HydrophobicContact CZ3-CG 3.73Å
232N94.6Very high94.8Very high105 Ų10562.4 Ų62.456%0.56132%0.32SS*.  trans-74162.9172.665.728.1000111.1P234 A235 L236N232-P234 WeakPolarHBondContact OD1-CD 3.42Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.16Å; N232-A235 VanDerWaalsContact OD1-CB 3.24Å; N232-A235 WeakPolarHBondContact OD1-CB 3.41Å; N232-A235 PolarHBondContact OD1-N 3.42Å; N232-L236 PolarHBondContact O-N 3.3Å
233E94.3Very high94.7Very high89 Ų8962.4 Ų62.442%0.41632%0.32SS..Hα-helixtrans-59.6-40.9-174.9-170.6152.7-146.700114.1A235 L236 I237 S260 L261E233-A235 PolarHBondContact O-N 2.93Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-I237 HydrophobicContact CG-CD1 3.98Å; E233-I237 HydrophobicContact CG-CG1 4.47Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 2.89Å; E233-S260 WeakPolarHBondContact OE1-CA 3.45Å; E233-S260 WeakPolarHBondContact OE1-CB 3.45Å; E233-L261 PolarHBondContact OE1-N 2.92Å
234P95.3Very high94.7Very high78 Ų7858.8 Ų58.851%0.50630%0.303SS..Hα-helixtrans-57.7-45.2172.4-26.935.8000113.7N232 L236 I237 D238N232-P234 WeakPolarHBondContact OD1-CD 3.42Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.45Å; P234-I237 WeakPolarHBondContact O-CB 3.2Å; P234-I237 PolarHBondContact O-N 3.32Å; P234-D238 PolarHBondContact O-N 2.92Å
235A95.9Very high94.8Very high33 Ų3353 Ų5327%0.27328%0.276SS..Hα-helixtrans-64.5-35.2178.200000112.3W231 N232 E233 Q239W231-A235 HydrophobicContact CB-CB 4.33Å; W231-A235 HydrophobicContact CE3-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.16Å; N232-A235 VanDerWaalsContact OD1-CB 3.24Å; N232-A235 WeakPolarHBondContact OD1-CB 3.41Å; N232-A235 PolarHBondContact OD1-N 3.42Å; E233-A235 PolarHBondContact O-N 2.93Å; A235-Q239 VanDerWaalsContact O-CB 3.31Å; A235-Q239 WeakPolarHBondContact O-CB 3.42Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 VanDerWaalsContact O-N 3.09Å
236L96.5Very high94.7Very high26 Ų2658 Ų5814%0.13630%0.303CS..Hα-helixtrans-68.2-41.8173.9-68.2174.2000111.7I205 F222 A226 W231 N232 E233 P234 Y240 L261I205-L236 HydrophobicContact CD1-CD2 4.45Å; F222-L236 HydrophobicContact CE1-CB 4.44Å; F222-L236 HydrophobicContact CE1-CD2 4.14Å; F222-L236 HydrophobicContact CZ-CD2 4.3Å; F222-L236 WeakPolarHBondContact CZ-O 3.45Å; A226-L236 HydrophobicContact CB-CD2 4.04Å; W231-L236 HydrophobicContact CB-CD2 3.87Å; W231-L236 HydrophobicContact CB-CG 3.96Å; W231-L236 HydrophobicContact CE3-CD2 4.2Å; N232-L236 PolarHBondContact O-N 3.3Å; E233-L236 PolarHBondContact O-N 3.49Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.45Å; L236-Y240 WeakPolarHBondContact O-CB 3.36Å; L236-Y240 PolarHBondContact O-N 3.28Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-L261 HydrophobicContact CD1-CD2 4.49Å
237I96.1Very high94.6Very high20 Ų2061.7 Ų61.710%0.10332%0.317CS..Hα-helixtrans-60.1-50.4176.1-75.6165.3000110.6E233 P234 Q239 Y240 H241 L261 L264E233-I237 HydrophobicContact CG-CD1 3.98Å; E233-I237 HydrophobicContact CG-CG1 4.47Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 2.89Å; P234-I237 WeakPolarHBondContact O-CB 3.2Å; P234-I237 PolarHBondContact O-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.32Å; I237-Y240 PolarHBondContact O-N 3.06Å; I237-H241 WeakPolarHBondContact O-CB 3.22Å; I237-H241 PolarHBondContact O-N 3.42Å; I237-L261 HydrophobicContact CG1-CB 4.49Å; I237-L264 HydrophobicContact CB-CD2 4.48Å; I237-L264 HydrophobicContact CG1-CD2 4.49Å; I237-L264 HydrophobicContact CG2-CD2 4.05Å
238D95.4Very high94.8Very high104 Ų10454.2 Ų54.256%0.55628%0.282SS*.Hα-helixtrans-60.4-48.5-179.4-70.1-17.4000110.8P234 Y240 H241 E242P234-D238 PolarHBondContact O-N 2.92Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 2.97Å; D238-H241 WeakPolarHBondContact O-CB 3.35Å; D238-H241 PolarHBondContact O-N 3.02Å; D238-E242 WeakPolarHBondContact O-CG 3.37Å; D238-E242 PolarHBondContact O-N 3.36Å
239Q97.4Very high95Very high16 Ų1654.5 Ų54.58%0.07528%0.282CS..Hα-helixtrans-66-36.2179.2-174.463.781.700113I205 F222 W231 A235 I237 H241 E242 G243I205-Q239 HydrophobicContact CG1-CG 4.17Å; I205-Q239 HydrophobicContact CG2-CG 4.42Å; F222-Q239 HydrophobicContact CE2-CB 4.3Å; F222-Q239 HydrophobicContact CE2-CG 4.01Å; F222-Q239 HydrophobicContact CZ-CB 4.29Å; F222-Q239 HydrophobicContact CZ-CG 4.38Å; W231-Q239 HydrophobicContact CE3-CB 4.46Å; W231-Q239 HydrophobicContact CH2-CG 4.3Å; W231-Q239 HydrophobicContact CZ3-CB 3.71Å; W231-Q239 HydrophobicContact CZ3-CG 3.73Å; A235-Q239 VanDerWaalsContact O-CB 3.31Å; A235-Q239 WeakPolarHBondContact O-CB 3.42Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 VanDerWaalsContact O-N 3.09Å; I237-Q239 PolarHBondContact O-N 3.32Å; Q239-H241 VanDerWaalsContact C-N 3.35Å; Q239-E242 PolarHBondContact NE2-OE2 2.89Å; Q239-G243 PolarHBondContact O-N 3Å
240Y97.4Very high95.1Very high0 Ų059.8 Ų59.80%031%0.306CS..Hα-helixtrans-63.4-45.7175.5-174.6-91.8000110.1Y218 S219 F222 L236 I237 D238 G243 L244 L261 L264 I265Y218-Y240 HydrophobicContact CD1-CD2 4.47Å; Y218-Y240 AromaticContact CD1-CE2 3.67Å; Y218-Y240 HydrophobicContact CD1-CE2 3.67Å; Y218-Y240 AromaticContact CD1-CZ 3.7Å; Y218-Y240 HydrophobicContact CE1-CD1 4.32Å; Y218-Y240 AromaticContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CE1 4.02Å; Y218-Y240 AromaticContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CG 4.17Å; Y218-Y240 AromaticContact CE1-CZ 3.49Å; Y218-Y240 VanDerWaalsContact CE1-CZ 3.49Å; Y218-Y240 PolarHBondContact OH-O 3.07Å; S219-Y240 PolarHBondContact OG-OH 2.91Å; F222-Y240 HydrophobicContact CB-CD2 4.07Å; F222-Y240 HydrophobicContact CB-CE2 4.16Å; F222-Y240 AromaticContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CE2 4.47Å; F222-Y240 AromaticContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CE1-CD2 4.05Å; F222-Y240 VanDerWaalsContact CE2-CA 3.49Å; F222-Y240 HydrophobicContact CE2-CD2 4.05Å; F222-Y240 HydrophobicContact CE2-CG 4.46Å; F222-Y240 AromaticContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CE2 4.17Å; F222-Y240 HydrophobicContact CZ-CD2 4.2Å; L236-Y240 WeakPolarHBondContact O-CB 3.36Å; L236-Y240 PolarHBondContact O-N 3.28Å; I237-Y240 PolarHBondContact O-N 3.06Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 2.97Å; Y240-G243 PolarHBondContact O-N 3.45Å; Y240-L244 HydrophobicContact CD1-CD1 4.04Å; Y240-L244 HydrophobicContact CD1-CD2 4.4Å; Y240-L244 HydrophobicContact CD1-CG 4.19Å; Y240-L244 HydrophobicContact CE1-CD1 3.9Å; Y240-L244 HydrophobicContact CE1-CD2 3.71Å; Y240-L244 HydrophobicContact CE1-CG 3.97Å; Y240-L244 PolarHBondContact O-N 3.35Å; Y240-L261 HydrophobicContact CD1-CD1 4.49Å; Y240-L261 HydrophobicContact CD2-CD1 3.99Å; Y240-L261 HydrophobicContact CG-CD1 3.86Å; Y240-L264 HydrophobicContact CD1-CD2 3.54Å; Y240-L264 HydrophobicContact CD1-CG 3.93Å; Y240-L264 HydrophobicContact CE1-CD2 4.3Å; Y240-L264 HydrophobicContact CE1-CG 4.2Å; Y240-L264 HydrophobicContact CG-CD2 4.28Å; Y240-I265 HydrophobicContact CE1-CG1 4.28Å; Y240-I265 HydrophobicContact CE2-CG1 4.05Å
241H95.4Very high95.2Very high70 Ų7056.7 Ų56.732%0.32429%0.288SS..Hα-helixtrans-59.7-47.2178.9-163-81.5000111.3I237 D238 Q239 G243 L244 Q249I237-H241 WeakPolarHBondContact O-CB 3.22Å; I237-H241 PolarHBondContact O-N 3.42Å; D238-H241 WeakPolarHBondContact O-CB 3.35Å; D238-H241 PolarHBondContact O-N 3.02Å; Q239-H241 VanDerWaalsContact C-N 3.35Å; H241-G243 PolarHBondContact O-N 2.95Å; H241-G243 VanDerWaalsContact O-N 3.15Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 2.94Å; H241-L244 VanDerWaalsContact O-N 3.15Å; H241-Q249 PolarHBondContact O-NE2 3.17Å
242E95.3Very high95.2Very high113 Ų11354.5 Ų54.553%0.52828%0.281SS..Hα-helixtrans-56.1-30.6177.2-75.3-176.8177.400114.2D238 Q239D238-E242 WeakPolarHBondContact O-CG 3.37Å; D238-E242 PolarHBondContact O-N 3.36Å; Q239-E242 PolarHBondContact NE2-OE2 2.89Å
243G96.1Very high95.1Very high0 Ų053.5 Ų53.50%028%0.282CS..Hα-helixtrans-91.4-9-177.400000115R209 Q210 Y218 Q239 Y240 H241R209-G243 CarbonylContact C-O 3.47Å; R209-G243 WeakPolarHBondContact CA-O 3.31Å; Q210-G243 PolarHBondContact N-O 3.32Å; Y218-G243 WeakPolarHBondContact OH-CA 3.21Å; Q239-G243 PolarHBondContact O-N 3Å; Y240-G243 PolarHBondContact O-N 3.45Å; H241-G243 PolarHBondContact O-N 2.95Å; H241-G243 VanDerWaalsContact O-N 3.15Å
244L96.9Very high94.9Very high7 Ų755.9 Ų55.94%0.03729%0.293CS..SBendtrans-66.3158.6174.7-71.1171.2000111.7Y218 Y240 H241 I248 Q249 L252Y218-L244 HydrophobicContact CD1-CD2 3.8Å; Y218-L244 HydrophobicContact CE1-CD2 3.62Å; Y218-L244 HydrophobicContact CE1-CG 4.08Å; Y240-L244 HydrophobicContact CD1-CD1 4.04Å; Y240-L244 HydrophobicContact CD1-CD2 4.4Å; Y240-L244 HydrophobicContact CD1-CG 4.19Å; Y240-L244 HydrophobicContact CE1-CD1 3.9Å; Y240-L244 HydrophobicContact CE1-CD2 3.71Å; Y240-L244 HydrophobicContact CE1-CG 3.97Å; Y240-L244 PolarHBondContact O-N 3.35Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 2.94Å; H241-L244 VanDerWaalsContact O-N 3.15Å; L244-I248 HydrophobicContact CD1-CG2 4.25Å; L244-I248 HydrophobicContact CD2-CG2 4.41Å; L244-Q249 HydrophobicContact CB-CG 3.83Å; L244-Q249 PolarHBondContact O-NE2 3.27Å; L244-Q249 VanDerWaalsContact O-NE2 3.16Å; L244-L252 HydrophobicContact CD1-CD1 3.5Å; L244-L252 VanDerWaalsContact CD1-CD1 3.5Å
245S96.4Very high94.7Very high12 Ų1255.8 Ų55.88%0.08429%0.288CS..  trans-73.2148.2173.357.20000112.3Q210 H247 I248 Q249Q210-S245 VanDerWaalsContact CD-OG 3.32Å; Q210-S245 PolarHBondContact NE2-OG 3.48Å; Q210-S245 PolarHBondContact OE1-OG 3.36Å; S245-H247 WeakPolarHBondContact CB-CE1 3.37Å; S245-H247 PolarHBondContact O-N 3.22Å; S245-H247 VanDerWaalsContact O-N 3.14Å; S245-H247 PolarHBondContact OG-CE1 3.47Å; S245-H247 PolarHBondContact OG-ND1 3.03Å; S245-H247 PolarHBondContact OG-NE2 2.99Å; S245-I248 PolarHBondContact O-N 2.94Å; S245-I248 VanDerWaalsContact OG-CG1 3.32Å; S245-I248 WeakPolarHBondContact OG-CG1 3.35Å; S245-Q249 PolarHBondContact O-N 3.45Å
246D93.9Very high94.3Very high131 Ų13162.5 Ų62.570%0.70131%0.313SS*.Hα-helixtrans-53.8-39.3-174.2-55.2-19.6000113.1I248 Q249 E250D246-I248 PolarHBondContact O-N 2.94Å; D246-Q249 PolarHBondContact O-N 3.2Å; D246-E250 WeakPolarHBondContact O-CB 3.46Å; D246-E250 PolarHBondContact O-N 2.97Å
247H92.8Very high93.9Very high94 Ų9467.5 Ų67.544%0.43535%0.345SS..Hα-helixtrans-69-30.8-18063.4-87.3000113.4S245 E251S245-H247 WeakPolarHBondContact CB-CE1 3.37Å; S245-H247 PolarHBondContact O-N 3.22Å; S245-H247 VanDerWaalsContact O-N 3.14Å; S245-H247 PolarHBondContact OG-CE1 3.47Å; S245-H247 PolarHBondContact OG-ND1 3.03Å; S245-H247 PolarHBondContact OG-NE2 2.99Å; H247-E251 WeakPolarHBondContact O-CG 3.43Å
248I95.1Very high93.6Very high0 Ų067.1 Ų67.10%035%0.345CS..Hα-helixtrans-77.2-40.9173.4-60-62.5000109.7V215 L244 S245 D246 E250 E251 L252 C268 I271 E272 L275V215-I248 HydrophobicContact CG2-CD1 4.26Å; V215-I248 HydrophobicContact CG2-CG1 4.18Å; L244-I248 HydrophobicContact CD1-CG2 4.25Å; L244-I248 HydrophobicContact CD2-CG2 4.41Å; S245-I248 PolarHBondContact O-N 2.94Å; S245-I248 VanDerWaalsContact OG-CG1 3.32Å; S245-I248 WeakPolarHBondContact OG-CG1 3.35Å; D246-I248 PolarHBondContact O-N 2.94Å; I248-E250 VanDerWaalsContact C-N 3.35Å; I248-E250 PolarHBondContact O-N 2.84Å; I248-E251 PolarHBondContact O-N 2.97Å; I248-L252 HydrophobicContact CG2-CD1 3.95Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 WeakPolarHBondContact O-CG 3.4Å; I248-L252 PolarHBondContact O-N 3.23Å; I248-C268 HydrophobicContact CG2-CB 4.17Å; I248-I271 HydrophobicContact CD1-CB 4.38Å; I248-I271 HydrophobicContact CD1-CG2 3.69Å; I248-E272 HydrophobicContact CD1-CB 4.18Å; I248-L275 HydrophobicContact CD1-CD1 3.99Å
249Q94.6Very high93.3Very high49 Ų4971.7 Ų71.723%0.22936%0.359CS..Hα-helixtrans-61.3-40.9177.1-69.7-178.7000112.3H241 L244 S245 D246 L252 S253H241-Q249 PolarHBondContact O-NE2 3.17Å; L244-Q249 HydrophobicContact CB-CG 3.83Å; L244-Q249 PolarHBondContact O-NE2 3.27Å; L244-Q249 VanDerWaalsContact O-NE2 3.16Å; S245-Q249 PolarHBondContact O-N 3.45Å; D246-Q249 PolarHBondContact O-N 3.2Å; Q249-L252 PolarHBondContact O-N 2.77Å; Q249-S253 PolarHBondContact O-N 3.43Å
250E93.6Very high93.2Very high131 Ų13172.2 Ų72.261%0.61237%0.365SS*.Hα-helixtrans-59.6-49.4176.7-175.8174.7-165.300111.1D246 I248 L252 S253 H254D246-E250 WeakPolarHBondContact O-CB 3.46Å; D246-E250 PolarHBondContact O-N 2.97Å; I248-E250 VanDerWaalsContact C-N 3.35Å; I248-E250 PolarHBondContact O-N 2.84Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.04Å; E250-S253 WeakPolarHBondContact O-CB 3.29Å; E250-S253 PolarHBondContact O-N 2.96Å; E250-S253 PolarHBondContact O-OG 3.43Å; E250-H254 PolarHBondContact O-CD2 3.12Å
251E93.3Very high93.1Very high54 Ų5473.1 Ų73.125%0.25237%0.37SS..Hα-helixtrans-66.3-32.2178.3-69-76168.500113H247 I248 S253 I271 R274 L275H247-E251 WeakPolarHBondContact O-CG 3.43Å; I248-E251 PolarHBondContact O-N 2.97Å; E251-S253 VanDerWaalsContact C-N 3.35Å; E251-I271 HydrophobicContact CB-CD1 4.07Å; E251-I271 HydrophobicContact CB-CG1 4.34Å; E251-I271 HydrophobicContact CB-CG2 3.55Å; E251-I271 HydrophobicContact CG-CG2 3.91Å; E251-R274 IonicContact OE2-CZ 2.9Å; E251-R274 IonicContact OE2-NH2 3.2Å; E251-R274 PolarHBondContact OE2-NH2 3.5Å; E251-L275 HydrophobicContact CG-CD1 4.37Å; E251-L275 HydrophobicContact CG-CD2 4.32Å
252L93.6Very high93.1Very high12 Ų1273.8 Ų73.86%0.06338%0.382CS..Hα-helixtrans-68-32.7173.7-79.3169.2000112.5L244 I248 Q249 E250 H254 L255 L264 Q267 I271L244-L252 HydrophobicContact CD1-CD1 3.5Å; L244-L252 VanDerWaalsContact CD1-CD1 3.5Å; I248-L252 HydrophobicContact CG2-CD1 3.95Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 WeakPolarHBondContact O-CG 3.4Å; I248-L252 PolarHBondContact O-N 3.23Å; Q249-L252 PolarHBondContact O-N 2.77Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.04Å; L252-H254 PolarHBondContact O-N 3.41Å; L252-H254 VanDerWaalsContact O-N 3.09Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-L264 HydrophobicContact CD1-CD1 4.21Å; L252-L264 HydrophobicContact CD2-CD1 4.03Å; L252-Q267 HydrophobicContact CD2-CB 4.13Å; L252-I271 HydrophobicContact CD2-CD1 3.59Å; L252-I271 HydrophobicContact CG-CD1 3.66Å
253S91.9Very high93.2Very high85 Ų8570.3 Ų70.359%0.59437%0.373SS*.THydrogen-bonded Turntrans-61.6-19.8-179.578.60000113.7Q249 E250 E251Q249-S253 PolarHBondContact O-N 3.43Å; E250-S253 WeakPolarHBondContact O-CB 3.29Å; E250-S253 PolarHBondContact O-N 2.96Å; E250-S253 PolarHBondContact O-OG 3.43Å; E251-S253 VanDerWaalsContact C-N 3.35Å
254H90.3Very high93.2Very high139 Ų13970.6 Ų70.664%0.64437%0.374SS*.THydrogen-bonded Turntrans-90.2-5176.9-58.2-49.9000113.9E250 L252E250-H254 PolarHBondContact O-CD2 3.12Å; L252-H254 PolarHBondContact O-N 3.41Å; L252-H254 VanDerWaalsContact O-N 3.09Å
255L90.1Very high93.2Very high75 Ų7571 Ų7139%0.39338%0.376SS..SBendtrans-105.9162.9-178-61.2-179.7000111.3L252 I271L252-L255 PolarHBondContact O-N 2.93Å; L255-I271 HydrophobicContact CD1-CD1 3.93Å; L255-I271 HydrophobicContact CD1-CG1 4.41Å
256E88.3Confident93.2Very high175 Ų17571.7 Ų71.782%0.81839%0.385SS*.PPolyproline II helixtrans-66.2137.9171.1-66.8-175.5173.300111A258E256-A258 PolarHBondContact O-N 3.27Å
257V87.4Confident93.3Very high131 Ų13168 Ų6879%0.79436%0.364SS*.PPolyproline II helixtrans-58.7123.5178.4-178.30000110
258A89.8Confident93.5Very high12 Ų1263.5 Ų63.510%0.09934%0.343CS..PPolyproline II helixtrans-64.6137.7177.300000111.3E256 A263 L264E256-A258 PolarHBondContact O-N 3.27Å; A258-A263 HydrophobicContact CB-CB 4.19Å; A258-L264 HydrophobicContact CB-CB 3.73Å; A258-L264 HydrophobicContact CB-CD1 4.31Å
259K90.4Very high93.5Very high199 Ų19964.9 Ų64.987%0.86535%0.35SS*.SBendtrans-89-10.6179.5-62.2-179-177.1175.80113.7
260S95.1Very high93.6Very high28 Ų2868.3 Ų68.320%0.19637%0.366CS..SBendtrans-139.5153.2178.470.40000110.9E233 S262 A263 L264E233-S260 WeakPolarHBondContact OE1-CA 3.45Å; E233-S260 WeakPolarHBondContact OE1-CB 3.45Å; S260-S262 PolarHBondContact O-N 2.9Å; S260-S262 PolarHBondContact OG-OG 3.31Å; S260-A263 PolarHBondContact O-N 2.88Å; S260-A263 VanDerWaalsContact OG-CB 3.25Å; S260-A263 WeakPolarHBondContact OG-CB 3.49Å; S260-A263 PolarHBondContact OG-N 3.37Å; S260-A263 VanDerWaalsContact OG-N 3.11Å; S260-L264 PolarHBondContact O-N 3.47Å
261L95.1Very high93.7Very high18 Ų1862.3 Ų62.39%0.09434%0.338CS..Hα-helixtrans-61.5-37.7176.717963.3000110.9F222 E233 L236 I237 Y240 L264 I265F222-L261 HydrophobicContact CD1-CD2 4.36Å; F222-L261 HydrophobicContact CE1-CD1 4.24Å; F222-L261 HydrophobicContact CE1-CD2 4.05Å; E233-L261 PolarHBondContact OE1-N 2.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-L261 HydrophobicContact CD1-CD2 4.49Å; I237-L261 HydrophobicContact CG1-CB 4.49Å; Y240-L261 HydrophobicContact CD1-CD1 4.49Å; Y240-L261 HydrophobicContact CD2-CD1 3.99Å; Y240-L261 HydrophobicContact CG-CD1 3.86Å; L261-L264 PolarHBondContact O-N 3.37Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CD1-CG1 4.39Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 3.48Å
262S95.9Very high93.8Very high84 Ų8461.9 Ų61.959%0.58734%0.336SS*.Hα-helixtrans-62.9-41.8176.957.10000112.8S260 G266S260-S262 PolarHBondContact O-N 2.9Å; S260-S262 PolarHBondContact OG-OG 3.31Å; S262-G266 PolarHBondContact O-N 2.94Å
263A95.7Very high93.9Very high40 Ų4067.5 Ų67.533%0.33136%0.356SS..Hα-helixtrans-66.2-42176.700000110.9A258 S260 G266 Q267A258-A263 HydrophobicContact CB-CB 4.19Å; S260-A263 PolarHBondContact O-N 2.88Å; S260-A263 VanDerWaalsContact OG-CB 3.25Å; S260-A263 WeakPolarHBondContact OG-CB 3.49Å; S260-A263 PolarHBondContact OG-N 3.37Å; S260-A263 VanDerWaalsContact OG-N 3.11Å; A263-G266 PolarHBondContact O-N 3.2Å; A263-Q267 WeakPolarHBondContact O-CG 3.34Å; A263-Q267 PolarHBondContact O-N 3.31Å
264L96.4Very high94Very high6 Ų668.8 Ų68.83%0.03135%0.348CS..Hα-helixtrans-61-48.2176.2-178.458000111.8I237 Y240 L252 A258 S260 L261 G266 Q267 C268I237-L264 HydrophobicContact CB-CD2 4.48Å; I237-L264 HydrophobicContact CG1-CD2 4.49Å; I237-L264 HydrophobicContact CG2-CD2 4.05Å; Y240-L264 HydrophobicContact CD1-CD2 3.54Å; Y240-L264 HydrophobicContact CD1-CG 3.93Å; Y240-L264 HydrophobicContact CE1-CD2 4.3Å; Y240-L264 HydrophobicContact CE1-CG 4.2Å; Y240-L264 HydrophobicContact CG-CD2 4.28Å; L252-L264 HydrophobicContact CD1-CD1 4.21Å; L252-L264 HydrophobicContact CD2-CD1 4.03Å; A258-L264 HydrophobicContact CB-CB 3.73Å; A258-L264 HydrophobicContact CB-CD1 4.31Å; S260-L264 PolarHBondContact O-N 3.47Å; L261-L264 PolarHBondContact O-N 3.37Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.45Å; L264-Q267 PolarHBondContact O-N 3.45Å; L264-C268 PolarHBondContact O-N 2.9Å; L264-C268 PolarHBondContact O-SG 3.05Å
265I96.8Very high94.1Very high16 Ų1664.6 Ų64.68%0.08233%0.33CS..Hα-helixtrans-56.6-46.1176.2-71.6167.1000110.3S219 Q223 Y240 L261 Q267 C268 I269S219-I265 WeakPolarHBondContact OG-CG2 3.3Å; Q223-I265 HydrophobicContact CG-CD1 4.27Å; Y240-I265 HydrophobicContact CE1-CG1 4.28Å; Y240-I265 HydrophobicContact CE2-CG1 4.05Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CD1-CG1 4.39Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 3.48Å; I265-Q267 PolarHBondContact O-N 3.06Å; I265-C268 PolarHBondContact O-N 3.39Å; I265-I269 HydrophobicContact CG2-CD1 3.78Å; I265-I269 HydrophobicContact CG2-CG1 4.49Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 3.38Å
266G96.2Very high94.2Very high26 Ų2663.9 Ų63.927%0.26834%0.335SS..Hα-helixtrans-58-47.7176.400000112.8S262 A263 L264 C268 I269 H270S262-G266 PolarHBondContact O-N 2.94Å; A263-G266 PolarHBondContact O-N 3.2Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.45Å; G266-C268 PolarHBondContact O-N 3.23Å; G266-I269 PolarHBondContact O-N 3.26Å; G266-H270 PolarHBondContact O-CD2 3.03Å; G266-H270 PolarHBondContact O-N 3.33Å
267Q96.3Very high94.4Very high53 Ų5363.3 Ų63.325%0.24833%0.325CS..Hα-helixtrans-58.3-46.8176.3-71.3175.51.700111.7L252 A263 L264 I265 I269 H270 I271L252-Q267 HydrophobicContact CD2-CB 4.13Å; A263-Q267 WeakPolarHBondContact O-CG 3.34Å; A263-Q267 PolarHBondContact O-N 3.31Å; L264-Q267 PolarHBondContact O-N 3.45Å; I265-Q267 PolarHBondContact O-N 3.06Å; Q267-I269 PolarHBondContact O-N 2.9Å; Q267-H270 PolarHBondContact O-N 2.65Å; Q267-I271 VanDerWaalsContact O-CG1 3.32Å; Q267-I271 WeakPolarHBondContact O-CG1 3.34Å; Q267-I271 PolarHBondContact O-N 3.09Å
268C96.7Very high94.6Very high0 Ų059.3 Ų59.30%031%0.306CS..Hα-helixtrans-60.1-44.9179.5-62.40000112V215 I248 L264 I265 G266 H270 I271 E272V215-C268 HydrophobicContact CG1-CB 3.42Å; V215-C268 VanDerWaalsContact CG1-CB 3.42Å; V215-C268 HydrophobicContact CG2-CB 4.32Å; I248-C268 HydrophobicContact CG2-CB 4.17Å; L264-C268 PolarHBondContact O-N 2.9Å; L264-C268 PolarHBondContact O-SG 3.05Å; I265-C268 PolarHBondContact O-N 3.39Å; G266-C268 PolarHBondContact O-N 3.23Å; C268-H270 VanDerWaalsContact C-N 3.31Å; C268-H270 PolarHBondContact O-N 2.86Å; C268-I271 PolarHBondContact O-N 3.23Å; C268-E272 PolarHBondContact O-N 3.07Å
269I96.2Very high94.6Very high30 Ų3061.5 Ų61.515%0.15432%0.324CS..Hα-helixtrans-63.6-39.3177.8-66.7168000110.7V215 I216 I265 G266 Q267 R273V215-I269 HydrophobicContact CB-CG1 4.41Å; V215-I269 HydrophobicContact CG1-CG1 3.81Å; I216-I269 HydrophobicContact CG1-CD1 3.93Å; I216-I269 HydrophobicContact CG1-CG1 3.96Å; I265-I269 HydrophobicContact CG2-CD1 3.78Å; I265-I269 HydrophobicContact CG2-CG1 4.49Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 3.38Å; G266-I269 PolarHBondContact O-N 3.26Å; Q267-I269 PolarHBondContact O-N 2.9Å; I269-R273 WeakPolarHBondContact O-CG 3.16Å; I269-R273 PolarHBondContact O-N 2.83Å
270H96Very high94.6Very high121 Ų12155.2 Ų55.256%0.5631%0.309SS*.Hα-helixtrans-65.4-41.2176.2-74.3-54.3000112.6G266 Q267 C268 R273 R274G266-H270 PolarHBondContact O-CD2 3.03Å; G266-H270 PolarHBondContact O-N 3.33Å; Q267-H270 PolarHBondContact O-N 2.65Å; C268-H270 VanDerWaalsContact C-N 3.31Å; C268-H270 PolarHBondContact O-N 2.86Å; H270-R273 PolarHBondContact O-N 2.97Å; H270-R274 WeakPolarHBondContact O-CB 3.45Å; H270-R274 PolarHBondContact O-N 2.92Å
271I95.7Very high94.2Very high4 Ų458 Ų582%0.02133%0.334CS..Hα-helixtrans-61.2-51.2174.7-68.8166.2000110I248 E251 L252 L255 Q267 C268 R273 R274 L275I248-I271 HydrophobicContact CD1-CB 4.38Å; I248-I271 HydrophobicContact CD1-CG2 3.69Å; E251-I271 HydrophobicContact CB-CD1 4.07Å; E251-I271 HydrophobicContact CB-CG1 4.34Å; E251-I271 HydrophobicContact CB-CG2 3.55Å; E251-I271 HydrophobicContact CG-CG2 3.91Å; L252-I271 HydrophobicContact CD2-CD1 3.59Å; L252-I271 HydrophobicContact CG-CD1 3.66Å; L255-I271 HydrophobicContact CD1-CD1 3.93Å; L255-I271 HydrophobicContact CD1-CG1 4.41Å; Q267-I271 VanDerWaalsContact O-CG1 3.32Å; Q267-I271 WeakPolarHBondContact O-CG1 3.34Å; Q267-I271 PolarHBondContact O-N 3.09Å; C268-I271 PolarHBondContact O-N 3.23Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.43Å; I271-R274 WeakPolarHBondContact O-CA 3.41Å; I271-R274 WeakPolarHBondContact O-CB 3.09Å; I271-R274 PolarHBondContact O-N 2.93Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.88Å
272E95.6Very high93.7Very high45 Ų4567.4 Ų67.421%0.2137%0.368CS..Hα-helixtrans-55.6-46.8179.1-177.2-179.1-117.900111.5S214 V215 I248 C268 R274 L275 A276S214-E272 VanDerWaalsContact CA-OE1 3.26Å; S214-E272 WeakPolarHBondContact CA-OE1 3.38Å; V215-E272 HydrophobicContact CG2-CB 3.96Å; V215-E272 HydrophobicContact CG2-CG 4.34Å; V215-E272 PolarHBondContact N-OE1 3.5Å; I248-E272 HydrophobicContact CD1-CB 4.18Å; C268-E272 PolarHBondContact O-N 3.07Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.26Å; E272-L275 PolarHBondContact O-N 3.1Å; E272-A276 WeakPolarHBondContact O-CB 3.43Å; E272-A276 PolarHBondContact O-N 3.19Å
273R95.3Very high92.7Very high130 Ų13071.1 Ų71.149%0.49137%0.373SS..Hα-helixtrans-62.3-37.5175.7-71.3175.4-175.5176.83.4112.6I269 H270 I271 R277I269-R273 WeakPolarHBondContact O-CG 3.16Å; I269-R273 PolarHBondContact O-N 2.83Å; H270-R273 PolarHBondContact O-N 2.97Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.43Å; R273-R277 WeakPolarHBondContact O-CG 3.44Å; R273-R277 PolarHBondContact O-N 3.38Å; R273-R277 VanDerWaalsContact O-N 3.14Å; R273-R277 PolarHBondContact O-NE 3.38Å
274R94.7Very high91.3Very high113 Ų11375.1 Ų75.143%0.42640%0.396SS..Hα-helixtrans-65.6-47.6176.3-178.817569.4-162.40.3110.9E251 H270 I271 E272 R277 A278E251-R274 IonicContact OE2-CZ 2.9Å; E251-R274 IonicContact OE2-NH2 3.2Å; E251-R274 PolarHBondContact OE2-NH2 3.5Å; H270-R274 WeakPolarHBondContact O-CB 3.45Å; H270-R274 PolarHBondContact O-N 2.92Å; I271-R274 WeakPolarHBondContact O-CA 3.41Å; I271-R274 WeakPolarHBondContact O-CB 3.09Å; I271-R274 PolarHBondContact O-N 2.93Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.26Å; R274-R277 PolarHBondContact O-N 3.32Å; R274-A278 PolarHBondContact O-N 3.35Å
275L92.4Very high89.9Confident51 Ų5186.3 Ų86.327%0.26744%0.438SS..Hα-helixtrans-62.7-43.6178.1-67.6177.6000111.7I248 E251 I271 E272 R277 A278 A279I248-L275 HydrophobicContact CD1-CD1 3.99Å; E251-L275 HydrophobicContact CG-CD1 4.37Å; E251-L275 HydrophobicContact CG-CD2 4.32Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.88Å; E272-L275 PolarHBondContact O-N 3.1Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.9Å; L275-A278 PolarHBondContact O-N 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 2.83Å
276A92.4Very high88.4Confident59 Ų5990.4 Ų90.449%0.48847%0.468SS..Hα-helixtrans-59.8-42.2175.900000112.3E272 A279 A280E272-A276 WeakPolarHBondContact O-CB 3.43Å; E272-A276 PolarHBondContact O-N 3.19Å; A276-A279 PolarHBondContact O-N 3.17Å; A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.74Å
277R92.1Very high87Confident164 Ų16494.5 Ų94.562%0.61949%0.49SS*.Hα-helixtrans-64.5-43.6175.1-77.3-178.2-73.9-1292.3112.4R273 R274 L275 A280 A281R273-R277 WeakPolarHBondContact O-CG 3.44Å; R273-R277 PolarHBondContact O-N 3.38Å; R273-R277 VanDerWaalsContact O-N 3.14Å; R273-R277 PolarHBondContact O-NE 3.38Å; R274-R277 PolarHBondContact O-N 3.32Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.9Å; R277-A280 PolarHBondContact O-N 3.47Å; R277-A281 PolarHBondContact O-N 2.97Å
278A90.9Very high85.2Confident47 Ų4797.7 Ų97.739%0.38852%0.515SS..Hα-helixtrans-62.8-41.9176.700000111.7R274 L275 A281 R282R274-A278 PolarHBondContact O-N 3.35Å; L275-A278 PolarHBondContact O-N 3.24Å; A278-A281 PolarHBondContact O-N 2.95Å; A278-R282 WeakPolarHBondContact O-CG 3.47Å; A278-R282 PolarHBondContact O-N 3.19Å; A278-R282 VanDerWaalsContact O-N 3.14Å
279A90.1Very high83.4Confident58 Ų58109.2 Ų109.248%0.47956%0.559SS.*Hα-helixtrans-63.9-41.1175.300000112.3L275 A276 A281 R282 K283L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 2.83Å; A276-A279 PolarHBondContact O-N 3.17Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.3Å; A279-R282 PolarHBondContact O-N 2.84Å; A279-K283 PolarHBondContact O-N 2.79Å
280A90.4Very high81.4Confident66 Ų66111.5 Ų111.555%0.54558%0.582SS.*Hα-helixtrans-64.8-36.9175.800000112.5A276 R277 R282 K283A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.74Å; R277-A280 PolarHBondContact O-N 3.47Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.3Å; A280-K283 PolarHBondContact O-N 2.91Å
281A88.4Confident79.5Confident87 Ų87113.7 Ų113.772%0.71960%0.597SS**Hα-helixtrans-69.4-27.9176.400000113.3R277 A278 A279R277-A281 PolarHBondContact O-N 2.97Å; A278-A281 PolarHBondContact O-N 2.95Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.3Å
282R83.9Confident77.3Confident216 Ų216119.7 Ų119.782%0.81563%0.634SS**Hα-helixtrans-78.7-16.4176.6-73.9179.5175.1174.10.3113.8A278 A279 A280A278-R282 WeakPolarHBondContact O-CG 3.47Å; A278-R282 PolarHBondContact O-N 3.19Å; A278-R282 VanDerWaalsContact O-N 3.14Å; A279-R282 PolarHBondContact O-N 2.84Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.3Å
283K75.1Confident75.1Confident161 Ų161124.5 Ų124.570%0.766%0.66SS**SBendtrans-66.1124171.8-76.8-177.3178.3179.60108.2A279 A280 R285A279-K283 PolarHBondContact O-N 2.79Å; A280-K283 PolarHBondContact O-N 2.91Å; K283-R285 PolarHBondContact O-N 3.4Å
284P65.9Low72.6Confident124 Ų124124.1 Ų124.181%0.80567%0.674SS**  trans-59.6114.1177.622.6-30.1000107.9S286P284-S286 PolarHBondContact O-N 3.47Å
285R67.6Low70.2Confident241 Ų241126.9 Ų126.991%0.90969%0.692SS**  trans-53.5114162.4-98.8176.8153.9121.3-6105.4K283K283-R285 PolarHBondContact O-N 3.4Å
286S65.6Low68.2Low102 Ų102132.1 Ų132.171%0.71372%0.718SS**PPolyproline II helixtrans-47.6129.2163.446.90000106.8P284P284-S286 PolarHBondContact O-N 3.47Å
287P65.9Low65.5Low112 Ų112133.3 Ų133.373%0.72773%0.728SS**PPolyproline II helixtrans-53.3139.4-175.521-30.8000108.4R289P287-R289 PolarHBondContact O-N 3.21Å
288P58.1Low63.1Low121 Ų121130.2 Ų130.279%0.78673%0.732SS**PPolyproline II helixtrans-55.4120.7174.724.6-30.2000105.7A290P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 3.41Å
289R59.4Low60.7Low241 Ų241135.6 Ų135.691%0.90975%0.749SS**  trans-58.2101.8172.8-154.9176.8-170.2175.92104.2P287 L291P287-R289 PolarHBondContact O-N 3.21Å; R289-L291 PolarHBondContact O-N 3.47Å; R289-L291 VanDerWaalsContact O-N 3.17Å
290A54.7Low58.1Low78 Ų78140.8 Ų140.865%0.64576%0.763SS**  trans-49.1128.9179.900000106.6P288 V292P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 3.41Å; A290-V292 PolarHBondContact O-N 2.98Å
291L54.9Low55.7Low167 Ų167146 Ų14687%0.87478%0.776SS**  trans-61.689.5172-67.4170.9000106.4R289 L293R289-L291 PolarHBondContact O-N 3.47Å; R289-L291 VanDerWaalsContact O-N 3.17Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 2.95Å
292V50.8Low53Low131 Ų131148.5 Ų148.579%0.79478%0.782SS**  trans-67103166.5177.30000104.6A290A290-V292 PolarHBondContact O-N 2.98Å
293L48.9Very low51Low145 Ų145144.4 Ų144.476%0.75978%0.776SS**  trans-46.9127.7164-117.568.5000107.9L291 H295L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 2.95Å; L293-H295 VanDerWaalsContact C-N 3.33Å; L293-H295 PolarHBondContact O-N 2.95Å
294P43Very low49.2Very low122 Ų122142.4 Ų142.479%0.79278%0.78SS**  trans-71.197.3170.517.5-10.3000107.3I296P294-I296 PolarHBondContact O-N 3.27Å
295H43.6Very low48.2Very low172 Ų172142.1 Ų142.180%0.79678%0.776SS**  trans-71.7113.6165.3-162.839.6000107.4L293 A297L293-H295 VanDerWaalsContact C-N 3.33Å; L293-H295 PolarHBondContact O-N 2.95Å; H295-A297 PolarHBondContact O-N 3.28Å
296I50.8Low46.7Very low160 Ų160138.5 Ų138.582%0.82177%0.769SS**  trans-63.6104168.5-60.9170.7000106.7P294P294-I296 PolarHBondContact O-N 3.27Å
297A36.3Very low45.5Very low84 Ų84139 Ų13969%0.69477%0.77SS**  trans-133.299.3164.300000108H295H295-A297 PolarHBondContact O-N 3.28Å
298S41.1Very low44.1Very low100 Ų100140.7 Ų140.770%0.69978%0.778SS**  trans-76.6145.9164.2-162.40000108.9
299H39.8Very low43.1Very low159 Ų159137.9 Ų137.974%0.73677%0.771SS**  trans68.9103.7169.8-81.7-93.1000118.7
300H35.4Very low42.4Very low168 Ų168130.8 Ų130.878%0.77877%0.773SS**  176.8152.888.7-115.5-77.9000111.2
301Q40.2Very low41.6Very low175 Ų175131.3 Ų131.382%0.81878%0.777SS**  trans-56.8140.9-177.3-58.3-176.8-10.600114.8
302V32.6Very low41.3Very low139 Ų139135 Ų13584%0.84278%0.779SS**  trans-152.6122133.4-118.80000110.3
303D41.4Very low41.3Very low130 Ų130137 Ų13770%0.69578%0.782SS**  trans-53.6138.4161-151.4-43.6000110.2T305D303-T305 PolarHBondContact OD1-N 2.84Å; D303-T305 PolarHBondContact OD1-OG1 2.7Å; D303-T305 VanDerWaalsContact OD1-OG1 3.13Å
304P38.3Very low41.8Very low120 Ų120141.7 Ų141.778%0.77979%0.79SS**  trans-129.684.5145.217.34.1000110.4E306P304-E306 PolarHBondContact O-N 2.93Å
305T43.3Very low43.3Very low118 Ų118137.8 Ų137.872%0.72476%0.762SS**  trans-56.6102.8138.2-60.40000108.3D303D303-T305 PolarHBondContact OD1-N 2.84Å; D303-T305 PolarHBondContact OD1-OG1 2.7Å; D303-T305 VanDerWaalsContact OD1-OG1 3.13Å
306E37.1Very low44.9Very low164 Ų164133.5 Ų133.577%0.76675%0.748SS**  trans155.6129.6136.3-81.5-148.5137.500111.6P304P304-E306 PolarHBondContact O-N 2.93Å
307P39.1Very low46.1Very low113 Ų113130.5 Ų130.573%0.73473%0.73SS**  trans-90.4107.917533.5-26.6000110.1G309P307-G309 PolarHBondContact O-N 3.47Å
308V36.4Very low48.1Very low148 Ų148132.9 Ų132.990%0.89773%0.727SS**  trans-70.3119.2161.1175.30000108.4
309G38.5Very low50Low61 Ų61130.3 Ų130.363%0.62970%0.704SS**SBendtrans77.583.9155.700000116.7P307 A311P307-G309 PolarHBondContact O-N 3.47Å; G309-A311 PolarHBondContact O-N 2.96Å
310G44.5Very low52Low93 Ų93126.7 Ų126.796%0.95969%0.686SS**  trans57.3-4.6130.800000122
311A37.2Very low54.2Low88 Ų88123.4 Ų123.473%0.72767%0.671SS**  trans-96.9117.7-177.700000110G309 M313G309-A311 PolarHBondContact O-N 2.96Å; A311-M313 PolarHBondContact O-N 3.21Å
312R48.3Very low56.5Low245 Ų245120.3 Ų120.393%0.92565%0.652SS**  trans-59.6100.4172.7-68.4176.8-175.71620.9109.1R314R312-R314 PolarHBondContact O-N 3.5Å
313M50.5Low59.2Low174 Ų174115.6 Ų115.686%0.85762%0.619SS**  trans-60.3105164.6-97.5170.761.500108.1A311 L315A311-M313 PolarHBondContact O-N 3.21Å; M313-L315 PolarHBondContact O-N 2.8Å
314R61Low61.3Low242 Ų242116.4 Ų116.491%0.91361%0.613SS**  trans-65.6104.5166.3-93.9-175150.1-155.1-3.6106.9R312 T316R312-R314 PolarHBondContact O-N 3.5Å; R314-T316 PolarHBondContact O-N 2.75Å
315L73.5Confident63.6Low41 Ų41119.3 Ų119.322%0.21561%0.613CS.*  trans-53.5133.1170.4-69.9133.8000109.2M313 E319 K320 R323 L330M313-L315 PolarHBondContact O-N 2.8Å; L315-E319 HydrophobicContact CD2-CB 4.21Å; L315-E319 HydrophobicContact CD2-CG 3.41Å; L315-E319 VanDerWaalsContact CD2-CG 3.41Å; L315-K320 HydrophobicContact CB-CG 3.84Å; L315-K320 WeakPolarHBondContact O-CE 3.2Å; L315-R323 VanDerWaalsContact CD2-CZ 3.42Å; L315-L330 WeakPolarHBondContact CD1-O 3.33Å
316T78.1Confident65.5Low82 Ų82118.2 Ų118.250%0.50360%0.602SS.*  trans-61.3160.2171.562.30000110R314 E318 E319 K320R314-T316 PolarHBondContact O-N 2.75Å; T316-E318 WeakPolarHBondContact CB-OE2 3.45Å; T316-E318 PolarHBondContact O-N 3.02Å; T316-E318 PolarHBondContact OG1-OE2 3.38Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 PolarHBondContact OG1-N 2.91Å; T316-K320 WeakPolarHBondContact O-CG 3.3Å; T316-K320 PolarHBondContact O-N 3Å
317Q75.1Confident67.7Low96 Ų96115.3 Ų115.345%0.44959%0.592SS.*Hα-helixtrans-61.9-37-178.7-176.261.517.800111K320 E321Q317-K320 PolarHBondContact O-N 3.45Å; Q317-E321 PolarHBondContact NE2-OE1 3.45Å; Q317-E321 PolarHBondContact O-N 3.23Å
318E78.3Confident69.9Low134 Ų134111.8 Ų111.863%0.62657%0.567SS**Hα-helixtrans-65.1-42.7178.5-5973.3-157.800111.3T316 E321 R322T316-E318 WeakPolarHBondContact CB-OE2 3.45Å; T316-E318 PolarHBondContact O-N 3.02Å; T316-E318 PolarHBondContact OG1-OE2 3.38Å; E318-E321 PolarHBondContact O-N 3.47Å; E318-R322 WeakPolarHBondContact O-CB 3.01Å; E318-R322 PolarHBondContact O-N 3.17Å
319E81.1Confident72.3Confident47 Ų47104.8 Ų104.822%0.2252%0.524CS..Hα-helixtrans-72.3-31.9178.1-178.358.1-165.700111.7L315 T316 R322 R323L315-E319 HydrophobicContact CD2-CB 4.21Å; L315-E319 HydrophobicContact CD2-CG 3.41Å; L315-E319 VanDerWaalsContact CD2-CG 3.41Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 PolarHBondContact OG1-N 2.91Å; E319-R322 IonicContact OE1-CZ 3.7Å; E319-R322 IonicContact OE1-NE 2.84Å; E319-R322 IonicContact OE1-NH2 3.68Å; E319-R322 PolarHBondContact OE1-NH2 2.97Å; E319-R322 IonicContact OE2-CZ 2.78Å; E319-R322 IonicContact OE2-NE 2.96Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; E319-R322 IonicContact OE2-NH2 3.71Å; E319-R323 WeakPolarHBondContact O-CB 3.4Å; E319-R323 VanDerWaalsContact O-CG 3.28Å; E319-R323 WeakPolarHBondContact O-CG 3.28Å; E319-R323 PolarHBondContact O-N 2.77Å; E319-R323 IonicContact OE1-CZ 3.96Å; E319-R323 IonicContact OE1-NE 3.39Å; E319-R323 PolarHBondContact OE1-NE 2.94Å; E319-R323 IonicContact OE1-NH2 3.54Å; E319-R323 PolarHBondContact OE1-NH2 2.71Å
320K81.6Confident74.4Confident83 Ų83105.3 Ų105.336%0.36151%0.512SS..Hα-helixtrans-64.4-41.4171.4-73.2178.2-176.7173.50112.1L315 T316 Q317 R324 L330L315-K320 HydrophobicContact CB-CG 3.84Å; L315-K320 WeakPolarHBondContact O-CE 3.2Å; T316-K320 WeakPolarHBondContact O-CG 3.3Å; T316-K320 PolarHBondContact O-N 3Å; Q317-K320 PolarHBondContact O-N 3.45Å; K320-R324 WeakPolarHBondContact O-CB 3.46Å; K320-R324 WeakPolarHBondContact O-CG 3.4Å; K320-R324 PolarHBondContact O-N 3.42Å; K320-L330 HydrophobicContact CB-CD2 4.39Å; K320-L330 HydrophobicContact CG-CD2 4.35Å
321E83.2Confident76.1Confident99 Ų99105.5 Ų105.546%0.46349%0.485SS..Hα-helixtrans-68.4-42.9177.5-78.4171.1-164.100111.8Q317 E318 R323 R324 K325Q317-E321 PolarHBondContact NE2-OE1 3.45Å; Q317-E321 PolarHBondContact O-N 3.23Å; E318-E321 PolarHBondContact O-N 3.47Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 2.89Å; E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 PolarHBondContact O-N 2.92Å; E321-R324 IonicContact OE1-NH2 3.56Å; E321-K325 WeakPolarHBondContact O-CB 3.04Å; E321-K325 PolarHBondContact O-N 3.14Å
322R87.6Confident78.2Confident110 Ų110103.6 Ų103.642%0.41547%0.465SS..Hα-helixtrans-58.2-46.8173.8-164.5-167.773.486.93.9111.5E318 E319 K325 L326E318-R322 WeakPolarHBondContact O-CB 3.01Å; E318-R322 PolarHBondContact O-N 3.17Å; E319-R322 IonicContact OE1-CZ 3.7Å; E319-R322 IonicContact OE1-NE 2.84Å; E319-R322 IonicContact OE1-NH2 3.68Å; E319-R322 PolarHBondContact OE1-NH2 2.97Å; E319-R322 IonicContact OE2-CZ 2.78Å; E319-R322 IonicContact OE2-NE 2.96Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; E319-R322 IonicContact OE2-NH2 3.71Å; R322-K325 PolarHBondContact O-N 3.06Å; R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 VanDerWaalsContact NH1-CD1 3.25Å; R322-L326 WeakPolarHBondContact O-CB 3.42Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.35Å
323R89.3Confident79.9Confident40 Ų4092.8 Ų92.815%0.15143%0.43CS..Hα-helixtrans-65.4-38.1178.2-72.4-176.1-173-155.62.7112.7L315 E319 E321 L326 N327 L328 C329 L330 G333L315-R323 VanDerWaalsContact CD2-CZ 3.42Å; E319-R323 WeakPolarHBondContact O-CB 3.4Å; E319-R323 VanDerWaalsContact O-CG 3.28Å; E319-R323 WeakPolarHBondContact O-CG 3.28Å; E319-R323 PolarHBondContact O-N 2.77Å; E319-R323 IonicContact OE1-CZ 3.96Å; E319-R323 IonicContact OE1-NE 3.39Å; E319-R323 PolarHBondContact OE1-NE 2.94Å; E319-R323 IonicContact OE1-NH2 3.54Å; E319-R323 PolarHBondContact OE1-NH2 2.71Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 2.89Å; R323-L326 PolarHBondContact O-N 3.45Å; R323-N327 PolarHBondContact O-N 3.37Å; R323-N327 VanDerWaalsContact O-N 3.1Å; R323-L328 HydrophobicContact CB-CB 4.12Å; R323-L328 HydrophobicContact CG-CB 4.12Å; R323-L328 PolarHBondContact O-N 2.92Å; R323-C329 PolarHBondContact NH1-O 3.09Å; R323-L330 HydrophobicContact CB-CD2 3.95Å; R323-G333 VanDerWaalsContact NH1-CA 3.3Å
324R84.6Confident81.3Confident147 Ų14788 Ų8856%0.55541%0.411SS*.Hα-helixtrans-62.9-44.3172-78.8-172.3-72.51740.3112K320 E321 L326 N327K320-R324 WeakPolarHBondContact O-CB 3.46Å; K320-R324 WeakPolarHBondContact O-CG 3.4Å; K320-R324 PolarHBondContact O-N 3.42Å; E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 PolarHBondContact O-N 2.92Å; E321-R324 IonicContact OE1-NH2 3.56Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.44Å; R324-N327 PolarHBondContact O-N 2.98Å
325K87.9Confident82.3Confident181 Ų18178.5 Ų78.579%0.78739%0.388SS*.Hα-helixtrans-65.2-33.9179.9-170175.3-177.6178.80112.7E321 R322E321-K325 WeakPolarHBondContact O-CB 3.04Å; E321-K325 PolarHBondContact O-N 3.14Å; R322-K325 PolarHBondContact O-N 3.06Å
326L82.7Confident82.6Confident94 Ų9480.6 Ų80.649%0.49242%0.419SS..THydrogen-bonded Turntrans-97.59.3-178.1-62.8175.8000113.6R322 R323 R324 L328R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 VanDerWaalsContact NH1-CD1 3.25Å; R322-L326 WeakPolarHBondContact O-CB 3.42Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.35Å; R323-L326 PolarHBondContact O-N 3.45Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.44Å; L326-L328 HydrophobicContact CB-CD1 3.92Å; L326-L328 HydrophobicContact CB-CG 3.84Å; L326-L328 HydrophobicContact CD1-CD1 4.27Å; L326-L328 PolarHBondContact O-N 3.48Å
327N83.9Confident83Confident104 Ų10478.5 Ų78.556%0.55640%0.404SS*.THydrogen-bonded Turntrans50.442-177.1-67-56.7000113.5R323 R324R323-N327 PolarHBondContact O-N 3.37Å; R323-N327 VanDerWaalsContact O-N 3.1Å; R324-N327 PolarHBondContact O-N 2.98Å
328L85.5Confident83.3Confident39 Ų3981.9 Ų81.920%0.20441%0.414CS..BIsolated β-bridgetrans-99142.4177.6-58.8176.4000110.3R323 L326 L330R323-L328 HydrophobicContact CB-CB 4.12Å; R323-L328 HydrophobicContact CG-CB 4.12Å; R323-L328 PolarHBondContact O-N 2.92Å; L326-L328 HydrophobicContact CB-CD1 3.92Å; L326-L328 HydrophobicContact CB-CG 3.84Å; L326-L328 HydrophobicContact CD1-CD1 4.27Å; L326-L328 PolarHBondContact O-N 3.48Å; L328-L330 PolarHBondContact O-N 2.7Å
329C85.1Confident83.4Confident0 Ų076.4 Ų76.40%039%0.392CS..  trans-59128178.3176.60000111.5R323 Y331 G333 T334 H337 A339R323-C329 PolarHBondContact NH1-O 3.09Å; C329-Y331 PolarHBondContact O-N 3.06Å; C329-Y331 VanDerWaalsContact O-N 3.15Å; C329-Y331 PolarHBondContact SG-N 2.8Å; C329-Y331 VanDerWaalsContact SG-N 3.35Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.98Å; C329-T334 WeakPolarHBondContact CB-O 3.5Å; C329-T334 PolarHBondContact N-O 3.35Å; C329-H337 WeakPolarHBondContact CB-NE2 3.47Å; C329-H337 WeakPolarHBondContact CB-O 3.42Å; C329-H337 VanDerWaalsContact SG-CD2 3.59Å; C329-H337 PolarHBondContact SG-NE2 3.32Å; C329-H337 VanDerWaalsContact SG-NE2 3.4Å; C329-A339 VanDerWaalsContact SG-CA 3.58Å
330L83.1Confident83.3Confident73 Ų7380.5 Ų80.538%0.38242%0.415SS..THydrogen-bonded Turntrans-67.9-11.2177.8-66.8171.8000113.3L315 K320 R323 L328 A339L315-L330 WeakPolarHBondContact CD1-O 3.33Å; K320-L330 HydrophobicContact CB-CD2 4.39Å; K320-L330 HydrophobicContact CG-CD2 4.35Å; R323-L330 HydrophobicContact CB-CD2 3.95Å; L328-L330 PolarHBondContact O-N 2.7Å; L330-A339 HydrophobicContact CB-CB 4.08Å
331Y80.2Confident83.1Confident97 Ų9783 Ų8338%0.3843%0.432SS..THydrogen-bonded Turntrans-93-62.2176.3-173.1-97.1000111.7C329 C342 A344 K345 K348C329-Y331 PolarHBondContact O-N 3.06Å; C329-Y331 VanDerWaalsContact O-N 3.15Å; C329-Y331 PolarHBondContact SG-N 2.8Å; C329-Y331 VanDerWaalsContact SG-N 3.35Å; Y331-C342 HydrophobicContact CD1-CB 4.33Å; Y331-C342 VanDerWaalsContact CD1-SG 3.59Å; Y331-A344 HydrophobicContact CD1-CB 4.13Å; Y331-A344 HydrophobicContact CE1-CB 3.9Å; Y331-K345 HydrophobicContact CD1-CG 4.05Å; Y331-K345 HydrophobicContact CD2-CG 4.01Å; Y331-K345 HydrophobicContact CE1-CG 3.95Å; Y331-K345 HydrophobicContact CE2-CG 3.9Å; Y331-K345 HydrophobicContact CG-CG 4.08Å; Y331-K348 PolarHBondContact OH-NZ 2.98Å
332C82.7Confident83Confident47 Ų4778.5 Ų78.532%0.31841%0.411SS..THydrogen-bonded Turntrans-101.4-9.6-174.261.50000114.9T334 H337 C342 A344C332-T334 VanDerWaalsContact C-N 3.29Å; C332-T334 PolarHBondContact O-N 3.41Å; C332-T334 PolarHBondContact SG-OG1 2.93Å; C332-H337 PolarHBondContact SG-NE2 3.26Å; C332-C342 PolarHBondContact SG-SG 3.41Å; C332-A344 HydrophobicContact CB-CB 4.19Å
333G82.3Confident82.5Confident18 Ų1877.2 Ų77.219%0.18642%0.418CS..  trans78.34.6178.300000115.5R323 C329R323-G333 VanDerWaalsContact NH1-CA 3.3Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.98Å
334T80.9Confident81.7Confident75 Ų7577 Ų7746%0.4642%0.424SS..  trans-93.9151.9176.557.50000111.8C329 C332 H337C329-T334 WeakPolarHBondContact CB-O 3.5Å; C329-T334 PolarHBondContact N-O 3.35Å; C332-T334 VanDerWaalsContact C-N 3.29Å; C332-T334 PolarHBondContact O-N 3.41Å; C332-T334 PolarHBondContact SG-OG1 2.93Å; T334-H337 PolarHBondContact OG1-CE1 3.48Å
335G81.7Confident80.9Confident42 Ų4274.1 Ų74.143%0.43342%0.416SS..BIsolated β-bridgetrans-79.7169.4179.300000113.3
336G79.8Confident79.6Confident84 Ų8468.3 Ų68.387%0.86640%0.402SS*.SBendtrans90.2-1172.800000115.7
337H85.6Confident78.4Confident38 Ų3868.2 Ų68.218%0.17641%0.409CS..SBendtrans-157.7160.8173.763-86.7000112.1C329 C332 T334 C342C329-H337 WeakPolarHBondContact CB-NE2 3.47Å; C329-H337 WeakPolarHBondContact CB-O 3.42Å; C329-H337 VanDerWaalsContact SG-CD2 3.59Å; C329-H337 PolarHBondContact SG-NE2 3.32Å; C329-H337 VanDerWaalsContact SG-NE2 3.4Å; C332-H337 PolarHBondContact SG-NE2 3.26Å; T334-H337 PolarHBondContact OG1-CE1 3.48Å; H337-C342 VanDerWaalsContact CD2-CA 3.44Å; H337-C342 WeakPolarHBondContact CD2-CA 3.28Å; H337-C342 PolarHBondContact NE2-SG 3.1Å; H337-C342 VanDerWaalsContact NE2-SG 3.36Å
338Y82.6Confident77Confident167 Ų16770.4 Ų70.466%0.65541%0.413SS*.  trans-94.7163.5173-65.9-79.4000111.6D340 N341 C342Y338-D340 PolarHBondContact O-N 3.02Å; Y338-N341 CarbonylContact O-C 3.57Å; Y338-N341 PolarHBondContact O-N 3.48Å; Y338-C342 PolarHBondContact O-N 2.98Å
339A80.9Confident75.1Confident20 Ų2072.5 Ų72.517%0.16543%0.431CS..G310 helixtrans-57.8-20.1-175.700000114.5C329 L330 K345C329-A339 VanDerWaalsContact SG-CA 3.58Å; L330-A339 HydrophobicContact CB-CB 4.08Å; A339-K345 VanDerWaalsContact O-CD 3.29Å; A339-K345 WeakPolarHBondContact O-CD 3.32Å; A339-K345 VanDerWaalsContact O-CE 3.22Å; A339-K345 WeakPolarHBondContact O-CE 3.47Å; A339-K345 PolarHBondContact O-NZ 3.47Å
340D77.7Confident72.6Confident133 Ų13377.5 Ų77.571%0.71147%0.466SS*.G310 helixtrans-79.2-33.1177.6-57.9-36.8000112.2Y338 K345Y338-D340 PolarHBondContact O-N 3.02Å; D340-K345 IonicContact OD1-NZ 3.54Å
341N77.4Confident70.6Confident136 Ų13679.8 Ų79.873%0.72749%0.485SS*.G310 helixtrans-102.927.9176.6-69-5.3000111.9Y338 P343Y338-N341 CarbonylContact O-C 3.57Å; Y338-N341 PolarHBondContact O-N 3.48Å; N341-P343 WeakPolarHBondContact O-CD 3.43Å
342C82.1Confident68.5Low3 Ų380.1 Ų80.12%0.0251%0.508CS..  trans-75.4119.7-177.2-174.30000111.2Y331 C332 H337 Y338 A344 K345 A346Y331-C342 HydrophobicContact CD1-CB 4.33Å; Y331-C342 VanDerWaalsContact CD1-SG 3.59Å; C332-C342 PolarHBondContact SG-SG 3.41Å; H337-C342 VanDerWaalsContact CD2-CA 3.44Å; H337-C342 WeakPolarHBondContact CD2-CA 3.28Å; H337-C342 PolarHBondContact NE2-SG 3.1Å; H337-C342 VanDerWaalsContact NE2-SG 3.36Å; Y338-C342 PolarHBondContact O-N 2.98Å; C342-A344 PolarHBondContact O-N 3.18Å; C342-K345 HydrophobicContact CB-CB 4.44Å; C342-K345 HydrophobicContact CB-CG 4.45Å; C342-K345 WeakPolarHBondContact O-CB 3.43Å; C342-K345 PolarHBondContact O-N 2.89Å; C342-A346 PolarHBondContact O-N 3.22Å
343P77.5Confident66.4Low84 Ų8481 Ų8155%0.54553%0.525SS..Hα-helixtrans-62-26.6178.522.8-30.9000112.4N341 K345 A346 S347N341-P343 WeakPolarHBondContact O-CD 3.43Å; P343-K345 VanDerWaalsContact C-N 3.26Å; P343-K345 PolarHBondContact O-N 3.38Å; P343-A346 PolarHBondContact O-N 3.14Å; P343-S347 PolarHBondContact O-N 3.31Å; P343-S347 PolarHBondContact O-OG 2.98Å
344A72.4Confident63.9Low35 Ų3588.2 Ų88.229%0.28956%0.56SS.*Hα-helixtrans-72.2-14173.900000114.1Y331 C332 C342Y331-A344 HydrophobicContact CD1-CB 4.13Å; Y331-A344 HydrophobicContact CE1-CB 3.9Å; C332-A344 HydrophobicContact CB-CB 4.19Å; C342-A344 PolarHBondContact O-N 3.18Å
345K67.5Low61.7Low86 Ų8690.1 Ų90.137%0.37458%0.576SS.*Hα-helixtrans-82.1-42.1166.4-87.7-174.1-179.4171.70111.1Y331 A339 D340 C342 P343 S347 K348Y331-K345 HydrophobicContact CD1-CG 4.05Å; Y331-K345 HydrophobicContact CD2-CG 4.01Å; Y331-K345 HydrophobicContact CE1-CG 3.95Å; Y331-K345 HydrophobicContact CE2-CG 3.9Å; Y331-K345 HydrophobicContact CG-CG 4.08Å; A339-K345 VanDerWaalsContact O-CD 3.29Å; A339-K345 WeakPolarHBondContact O-CD 3.32Å; A339-K345 VanDerWaalsContact O-CE 3.22Å; A339-K345 WeakPolarHBondContact O-CE 3.47Å; A339-K345 PolarHBondContact O-NZ 3.47Å; D340-K345 IonicContact OD1-NZ 3.54Å; C342-K345 HydrophobicContact CB-CB 4.44Å; C342-K345 HydrophobicContact CB-CG 4.45Å; C342-K345 WeakPolarHBondContact O-CB 3.43Å; C342-K345 PolarHBondContact O-N 2.89Å; P343-K345 VanDerWaalsContact C-N 3.26Å; P343-K345 PolarHBondContact O-N 3.38Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.45Å; K345-K348 PolarHBondContact O-N 3.41Å
346A60.4Low60.2Low60 Ų6093.9 Ų93.950%0.49659%0.593SS.*Hα-helixtrans-67-33.7-178.700000112.7C342 P343 K348 S349C342-A346 PolarHBondContact O-N 3.22Å; P343-A346 PolarHBondContact O-N 3.14Å; A346-K348 PolarHBondContact O-N 3.44Å; A346-S349 PolarHBondContact O-N 2.91Å; A346-S349 PolarHBondContact O-OG 3.31Å
347S56.8Low57.7Low91 Ų9194.1 Ų94.164%0.63659%0.586SS**THydrogen-bonded Turntrans-70.8-13.317863.20000114.8P343 K345P343-S347 PolarHBondContact O-N 3.31Å; P343-S347 PolarHBondContact O-OG 2.98Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.45Å
348K54.3Low55.9Low150 Ų15097.7 Ų97.765%0.65261%0.613SS**THydrogen-bonded Turntrans-94.5-4.6174.6-72.5179.4179.9173.80113.4Y331 K345 A346Y331-K348 PolarHBondContact OH-NZ 2.98Å; K345-K348 PolarHBondContact O-N 3.41Å; A346-K348 PolarHBondContact O-N 3.44Å
349S46.9Very low53.6Low83 Ų83101.5 Ų101.558%0.5864%0.643SS**  trans-117.871177.359.40000110.6A346A346-S349 PolarHBondContact O-N 2.91Å; A346-S349 PolarHBondContact O-OG 3.31Å
350S32.4Very low52.3Low105 Ų105105.6 Ų105.673%0.73467%0.667SS**  trans-122.4114.3157.6-69.90000108.4
351P40.6Very low50.9Low121 Ų121104.2 Ų104.279%0.78667%0.665SS**PPolyproline II helixtrans-80142.6153.415.70.3000109.1G353P351-G353 PolarHBondContact O-N 3.45Å
352A35.9Very low49.5Very low104 Ų104102.4 Ų102.486%0.8666%0.662SS**PPolyproline II helixtrans-51.9135.1168.700000110.6
353G37.7Very low47.5Very low65 Ų65108.2 Ų108.267%0.6770%0.699SS**PPolyproline II helixtrans-69.415717700000112.9P351P351-G353 PolarHBondContact O-N 3.45Å
354N31.6Very low45.7Very low171 Ų171109.8 Ų109.891%0.91471%0.709SS**  -168.4119.7128.7-97.4-5.3000109.8
355S34.7Very low43.9Very low115 Ų115114.7 Ų114.780%0.80474%0.737SS**  trans-69.5-179.5156.7-39.40000110.2
356P50.4Low42.2Very low121 Ų121116.8 Ų116.879%0.78676%0.763SS**  cis-139.7-169.5-3.437.1-16.4000116.2
357A27.1Very low40.8Very low88 Ų88121.2 Ų121.273%0.72778%0.783SS**  trans99.5159.514700000118.9
358P46.8Very low39.4Very low114 Ų114123.7 Ų123.774%0.7480%0.796SS**  -137.4178.5-50.438.3-22.4000114.4
359L35Very low38.1Very low247 Ų247121.3 Ų121.3100%1.29381%0.809SS**  trans87.50168.1-62.1177.4000118

Retrieved 359 of 359 residues in 144.9 ms (Link to these results)