A0A096NTF7_PAPAN Loading...

Coiled-coil domain containing 9B

AlphaFold DB , UniProt , Accession A0A096NTF7, Species PAPAN (Papio anubis, Olive baboon), Gene CCDC9B, Length 534 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
1M41.7Very low40.1Very low246 Ų246149.2 Ų149.2100%1.21277%0.77SS**  0123.40-72.4-169.3-68.300107.8
2I42Very low39.7Very low154 Ų154142.8 Ų142.879%0.7977%0.769SS**  trans-83.9141.5-177.7-62.8157.7000108.7
3S38.8Very low39.4Very low115 Ų115147.5 Ų147.580%0.80478%0.783SS**  trans-179.7109.7141.4-121.90000107.9
4C41.9Very low39.4Very low114 Ų114144.2 Ų144.277%0.7779%0.787SS**  60.2106.463.6-64.90000114.5
5A43.3Very low39Very low91 Ų91139.4 Ų139.475%0.75278%0.784SS**  trans176.1121136.200000108
6E42.7Very low38.9Very low161 Ų161146 Ų14675%0.75279%0.793SS**  60.8136.985.8-103.5-175.4127.900112.8
7Q40.2Very low38.8Very low127 Ų127140.9 Ų140.959%0.59378%0.783SS**  cis-178.3158.19.8-148.2174.616.900107.3
8R38.1Very low39.3Very low202 Ų202140.9 Ų140.976%0.76279%0.79SS**  trans66158.2148-82.6156.3174.7-97-3.2118.6
9S36.1Very low39.3Very low82 Ų82138.5 Ų138.557%0.57379%0.789SS**  cis170.6152.2-16.7-1760000107.2
10R39.2Very low39.8Very low185 Ų185137.7 Ų137.770%0.69879%0.79SS**  trans87.1126.5148.6-81.8157.9-167.3-891.7121.4
11Q36.8Very low39.7Very low164 Ų164138.1 Ų138.177%0.76679%0.794SS**  trans66.5127.4131.7-69.5173.311.600116.3
12G35.5Very low39.6Very low73 Ų73130.5 Ų130.575%0.75377%0.771SS**  cis102.5103.62900000108.3
13E36.4Very low39.9Very low203 Ų203129.8 Ų129.895%0.94978%0.776SS**  trans-157.9133.8162.1-125.8175153.400112.2
14A38.9Very low39.8Very low102 Ų102128.5 Ų128.584%0.84377%0.773SS**  trans-99.4160.8176.300000109.7
15G33.9Very low39.5Very low72 Ų72132.6 Ų132.674%0.74278%0.777SS**  trans160.7111.9154.100000119.1
16R37.6Very low39.1Very low245 Ų245136.5 Ų136.593%0.92579%0.785SS**  trans72.1121.6137.8-75.8-175.3177.1-90.20.7121.2
17G36.3Very low39.6Very low60 Ų60134.3 Ų134.362%0.61979%0.785SS**  trans-86.3-177.5142.100000112.6
18P48.6Very low39.3Very low141 Ų141140.1 Ų140.192%0.91680%0.801SS**  trans-140.5172.9130.532.8-14.9000114.9
19A38.7Very low39.2Very low94 Ų94142.1 Ų142.178%0.77781%0.809SS**  trans-90.6-176.8-163.300000115.1
20P48.8Very low39.3Very low123 Ų123145.8 Ų145.880%0.79982%0.821SS**  trans-98.4165.5-164.239.3-33.5000115.1
21V38.8Very low39.7Very low146 Ų146142.7 Ų142.789%0.88583%0.825SS**  trans-132.3132.4176.8177.20000110.9
22A39.2Very low39.6Very low87 Ų87146.6 Ų146.672%0.71983%0.833SS**  trans-98.2168.9168.600000111.2
23P48.7Very low39.6Very low138 Ų138146.2 Ų146.290%0.89683%0.829SS**  trans-142.2167.8134.434-16.8000115.7
24A35.9Very low39.5Very low89 Ų89142.4 Ų142.474%0.73682%0.823SS**  trans-96.6154.1-169.900000115.3
25F36.1Very low39.5Very low199 Ų199143.5 Ų143.587%0.87382%0.824SS**  trans16.7136.6151-70.3-87.9000123
26L35.4Very low39.7Very low173 Ų173143.8 Ų143.891%0.90683%0.828SS**  -153.5145123.9-87.9-177.8000111.5
27P52.6Low40.2Very low115 Ų115139.5 Ų139.575%0.74782%0.821SS**  trans-99.4151179.837.5-29.9000112.1
28R34.7Very low40.6Very low250 Ų250144.6 Ų144.694%0.94383%0.834SS**  trans-152.1138.4165.4-155.9162155.3159.9-7113.4
29W34.6Very low40.4Very low244 Ų244143.2 Ų143.292%0.92483%0.827SS**  trans-64.4156.4-166.5-73.811000117.9
30L39.3Very low40.7Very low159 Ų159145 Ų14583%0.83283%0.829SS**  trans-63.4159.8157.1-75.3151.7000112.5
31P46.3Very low40.7Very low119 Ų119144.7 Ų144.777%0.77383%0.826SS**  -138.6127.5109.732.8-17.8000111.9
32R36.1Very low40.7Very low247 Ų247142.4 Ų142.493%0.93282%0.823SS**  61.9107.593.2-161.7179.6-168.4-167.63.1114.2
33G34.7Very low40.8Very low65 Ų65144.3 Ų144.367%0.6783%0.825SS**  trans147.8117145.800000117.5
34C33.4Very low40.6Very low122 Ų122141.2 Ų141.282%0.82481%0.811SS**  trans89.991.4144.3-55.90000119.9
35S40Very low41.1Very low125 Ų125145.5 Ų145.587%0.87482%0.818SS**  56.7114.2119.2-41.90000119.8
36G39Very low41.5Very low79 Ų79144.2 Ų144.281%0.81481%0.814SS**  trans173.882.6164.500000112.6L38G36-L38 PolarHBondContact O-N 3.11Å
37I47.5Very low42Very low154 Ų154141.5 Ų141.579%0.7981%0.81SS**  trans-54.3124.2179.3-57.5145.2000110.8
38L44.6Very low41.7Very low168 Ų168140.9 Ų140.988%0.8882%0.815SS**  trans-146.8109.4142.2-77.9-175.6000109.5G36 V40G36-L38 PolarHBondContact O-N 3.11Å; L38-V40 PolarHBondContact O-N 3.38Å
39S44.4Very low41.9Very low112 Ų112131.9 Ų131.978%0.78380%0.8SS**  trans-53.9126.2176.4-580000112.6
40V44.8Very low42.7Very low132 Ų132126.4 Ų126.480%0.880%0.796SS**  trans-112.9123157-178.90000106.4L38 A42L38-V40 PolarHBondContact O-N 3.38Å; V40-A42 PolarHBondContact O-N 3.24Å; V40-A42 VanDerWaalsContact O-N 3.15Å
41P49.1Very low43.1Very low115 Ų115123.5 Ų123.575%0.74780%0.795SS**  trans-70.4115.4178.327.1-30000109.1V43P41-V43 PolarHBondContact O-N 3.45Å; P41-V43 VanDerWaalsContact O-N 3.13Å
42A38.3Very low43Very low99 Ų99128.5 Ų128.582%0.81880%0.798SS**  trans-61.8110.6166.300000108.6V40 A44V40-A42 PolarHBondContact O-N 3.24Å; V40-A42 VanDerWaalsContact O-N 3.15Å; A42-A44 PolarHBondContact O-N 3.25Å; A42-A44 VanDerWaalsContact O-N 3.14Å
43V41.8Very low43.7Very low127 Ų127121.4 Ų121.477%0.7779%0.793SS**  trans-62.2113.7165.7172.70000106.9P41 M45P41-V43 PolarHBondContact O-N 3.45Å; P41-V43 VanDerWaalsContact O-N 3.13Å; V43-M45 PolarHBondContact O-N 3.3Å; V43-M45 VanDerWaalsContact O-N 3.1Å
44A43.3Very low44.6Very low73 Ų73124.8 Ų124.860%0.60379%0.791SS**  trans-55.3114.9170.300000108.7A42 H46A42-A44 PolarHBondContact O-N 3.25Å; A42-A44 VanDerWaalsContact O-N 3.14Å; A44-H46 PolarHBondContact O-N 3.4Å
45M46.3Very low45.6Very low178 Ų178123.3 Ų123.388%0.87778%0.782SS**  trans-57.1107.3167.2-74.4-76.3-7700107.4V43 S47V43-M45 PolarHBondContact O-N 3.3Å; V43-M45 VanDerWaalsContact O-N 3.1Å; M45-S47 PolarHBondContact O-N 3.21Å
46H46.2Very low46.5Very low172 Ų172123 Ų12380%0.79678%0.777SS**  trans-58.9112.7170.6-63.1-65.4000108.1A44 A48A44-H46 PolarHBondContact O-N 3.4Å; H46-A48 PolarHBondContact O-N 3.17Å
47S44.7Very low47.6Very low116 Ų116123.8 Ų123.881%0.81176%0.76SS**  trans-47.7122167.4-38.80000108.6M45 G49M45-S47 PolarHBondContact O-N 3.21Å; S47-G49 PolarHBondContact O-N 3.03Å
48A47.6Very low48.9Very low102 Ų102119.6 Ų119.684%0.84375%0.745SS**  trans-53115.5175.600000109.8H46H46-A48 PolarHBondContact O-N 3.17Å
49G38.2Very low50.9Low62 Ų62121.4 Ų121.464%0.63974%0.74SS**PPolyproline II helixtrans-65.6157.5168.800000111.1S47 A51S47-G49 PolarHBondContact O-N 3.03Å; G49-A51 PolarHBondContact O-N 2.86Å
50P50.6Low52.9Low128 Ų128123.2 Ų123.283%0.83174%0.736SS**PPolyproline II helixtrans-64.7134.6-15927.7-33.9000111.3R52P50-R52 PolarHBondContact O-N 3.22Å; P50-R52 VanDerWaalsContact O-N 3.13Å
51A47.7Very low55Low98 Ų98122.1 Ų122.181%0.8172%0.722SS**PPolyproline II helixtrans-47.2122.2167.600000108.7G49 A53G49-A51 PolarHBondContact O-N 2.86Å; A51-A53 PolarHBondContact O-N 3.04Å
52R45.1Very low57.1Low224 Ų224121.3 Ų121.385%0.84571%0.707SS**  trans-49.1110.8172-164-174.7-165.9-164.74.2107.1P50 E54P50-R52 PolarHBondContact O-N 3.22Å; P50-R52 VanDerWaalsContact O-N 3.13Å; R52-E54 PolarHBondContact O-N 3.36Å
53A49.6Very low59.8Low99 Ų99120.3 Ų120.382%0.81869%0.688SS**  trans-67.980173.200000108.2A51 S55A51-A53 PolarHBondContact O-N 3.04Å; A53-S55 PolarHBondContact O-N 3.23Å
54E53.8Low62.3Low136 Ų136116.1 Ų116.164%0.63667%0.667SS**  trans-53.2119.6141.4-67-175.1179.400104.9R52 P56R52-E54 PolarHBondContact O-N 3.36Å; E54-P56 WeakPolarHBondContact O-CD 3.4Å
55S54.9Low64.7Low90 Ų90117.6 Ų117.663%0.62966%0.661SS**  trans-41118.5163.8166.20000106.8A53 M57A53-S55 PolarHBondContact O-N 3.23Å; S55-M57 PolarHBondContact O-N 2.97Å
56P58.4Low67.1Low118 Ų118113.7 Ų113.777%0.76664%0.643SS**  trans-72.380.4176.830.3-32.4000106E54 S58E54-P56 WeakPolarHBondContact O-CD 3.4Å; P56-S58 PolarHBondContact O-N 3.16Å
57M62Low69.5Low96 Ų96110.3 Ų110.347%0.47363%0.631SS.*  trans-46119.6152.8-72.7-178.6-178.400104.5S55 R59 E61 K62S55-M57 PolarHBondContact O-N 2.97Å; M57-R59 PolarHBondContact O-N 3.07Å; M57-E61 WeakPolarHBondContact CA-OE2 3.24Å; M57-E61 HydrophobicContact CB-CB 4.25Å; M57-E61 HydrophobicContact CB-CG 4.36Å; M57-E61 WeakPolarHBondContact CB-OE2 3.35Å; M57-E61 HydrophobicContact CG-CG 4.46Å; M57-E61 WeakPolarHBondContact CG-OE2 3.29Å; M57-K62 HydrophobicContact CB-CG 4.04Å
58S76.4Confident72Confident67 Ų67112.7 Ų112.747%0.46962%0.622SS.*  trans-49143.6177.9172.30000107.5P56 Q60 E61 K62P56-S58 PolarHBondContact O-N 3.16Å; S58-Q60 PolarHBondContact O-N 2.97Å; S58-Q60 PolarHBondContact OG-N 2.75Å; S58-E61 WeakPolarHBondContact O-CA 3.34Å; S58-E61 WeakPolarHBondContact O-CB 3.37Å; S58-E61 PolarHBondContact O-N 3.14Å; S58-K62 PolarHBondContact O-N 3.34Å
59R85Confident74.4Confident205 Ų205116 Ų11677%0.77461%0.613SS**Hα-helixtrans-46.3-37.4176.2-177.3177.5176.3178.40.1111.3M57 E61 K62 D63M57-R59 PolarHBondContact O-N 3.07Å; R59-E61 PolarHBondContact O-N 2.77Å; R59-K62 PolarHBondContact O-N 3.09Å; R59-D63 VanDerWaalsContact O-CG 3.24Å; R59-D63 PolarHBondContact O-N 2.78Å
60Q86.3Confident77.2Confident151 Ų151116.4 Ų116.471%0.70660%0.6SS**Hα-helixtrans-60.1-37.4174.4-171.8177.61000114.8S58 A64S58-Q60 PolarHBondContact O-N 2.97Å; S58-Q60 PolarHBondContact OG-N 2.75Å; Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.28Å; Q60-A64 PolarHBondContact O-N 3.18Å
61E89.8Confident79.5Confident108 Ų108114.5 Ų114.551%0.50559%0.586SS.*Hα-helixtrans-73.1-36.1178.6-174.3177.3-169.600111.4M57 S58 R59 A64 E65M57-E61 WeakPolarHBondContact CA-OE2 3.24Å; M57-E61 HydrophobicContact CB-CB 4.25Å; M57-E61 HydrophobicContact CB-CG 4.36Å; M57-E61 WeakPolarHBondContact CB-OE2 3.35Å; M57-E61 HydrophobicContact CG-CG 4.46Å; M57-E61 WeakPolarHBondContact CG-OE2 3.29Å; S58-E61 WeakPolarHBondContact O-CA 3.34Å; S58-E61 WeakPolarHBondContact O-CB 3.37Å; S58-E61 PolarHBondContact O-N 3.14Å; R59-E61 PolarHBondContact O-N 2.77Å; E61-A64 PolarHBondContact O-N 3.48Å; E61-E65 WeakPolarHBondContact O-CB 3.37Å; E61-E65 PolarHBondContact O-N 2.79Å
62K93.9Very high81.8Confident98 Ų98112 Ų11243%0.42657%0.565SS.*Hα-helixtrans-65.7-43.5172.9-63.1-176.6-178.9-178.20111.1M57 S58 R59 E65 L66M57-K62 HydrophobicContact CB-CG 4.04Å; S58-K62 PolarHBondContact O-N 3.34Å; R59-K62 PolarHBondContact O-N 3.09Å; K62-E65 PolarHBondContact O-N 3.45Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 2.94Å
63D94.2Very high84.3Confident79 Ų79105.4 Ų105.442%0.42255%0.546SS..Hα-helixtrans-64.3-42.4176.7-65.1-24.4000111R59 E65 L66 D67R59-D63 VanDerWaalsContact O-CG 3.24Å; R59-D63 PolarHBondContact O-N 2.78Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-L66 WeakPolarHBondContact O-CB 3.39Å; D63-L66 PolarHBondContact O-N 3.08Å; D63-D67 PolarHBondContact O-N 3.36Å
64A94.6Very high86.6Confident39 Ų39109.1 Ų109.132%0.32254%0.539SS..Hα-helixtrans-63.3-35.4175.600000113.2Q60 E61 D67 R68Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.28Å; Q60-A64 PolarHBondContact O-N 3.18Å; E61-A64 PolarHBondContact O-N 3.48Å; A64-D67 PolarHBondContact O-N 3.24Å; A64-R68 VanDerWaalsContact O-CG 3.31Å; A64-R68 WeakPolarHBondContact O-CG 3.42Å; A64-R68 PolarHBondContact O-N 3.45Å
65E94Very high88.7Confident104 Ų104110 Ų11049%0.48654%0.54SS..Hα-helixtrans-71.6-35.3176.2-170.856.3-14800112E61 K62 D63 R68 R69E61-E65 WeakPolarHBondContact O-CB 3.37Å; E61-E65 PolarHBondContact O-N 2.79Å; K62-E65 PolarHBondContact O-N 3.45Å; D63-E65 VanDerWaalsContact C-N 3.33Å; D63-E65 PolarHBondContact O-N 2.86Å; E65-R68 PolarHBondContact O-N 3.04Å; E65-R68 WeakPolarHBondContact OE2-CD 3.24Å; E65-R68 IonicContact OE2-CZ 2.93Å; E65-R68 IonicContact OE2-NH1 3.96Å; E65-R68 PolarHBondContact OE2-NH1 3.08Å; E65-R68 VanDerWaalsContact OE2-NH1 3.11Å; E65-R69 PolarHBondContact O-N 3.25Å
66L96.9Very high90.7Very high96 Ų96112.2 Ų112.250%0.50354%0.539SS..Hα-helixtrans-63.2-43.6171.4-69.4177.7000111.3K62 D63 R68 R69 I70K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 2.94Å; D63-L66 WeakPolarHBondContact O-CB 3.39Å; D63-L66 PolarHBondContact O-N 3.08Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.94Å; L66-R69 CarbonylContact O-C 3.54Å; L66-R69 WeakPolarHBondContact O-CB 3.49Å; L66-R69 PolarHBondContact O-N 2.72Å; L66-R69 VanDerWaalsContact O-N 3.12Å; L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.01Å
67D96.8Very high92.6Very high100 Ų100110.9 Ų110.954%0.53553%0.525SS..Hα-helixtrans-61.6-41.9176.5-75.7-24.5000112.1D63 A64 R69 I70 V71D63-D67 PolarHBondContact O-N 3.36Å; A64-D67 PolarHBondContact O-N 3.24Å; D67-R69 VanDerWaalsContact C-N 3.31Å; D67-R69 PolarHBondContact O-N 2.99Å; D67-I70 PolarHBondContact O-N 2.69Å; D67-V71 WeakPolarHBondContact O-CG2 3.41Å; D67-V71 PolarHBondContact O-N 3.26Å
68R97.1Very high94.2Very high166 Ų166111.2 Ų111.263%0.62653%0.525SS*.Hα-helixtrans-58.9-43.3172.8-72.2170.3-173.4177.50.7111.7A64 E65 L66 V71 A72A64-R68 VanDerWaalsContact O-CG 3.31Å; A64-R68 WeakPolarHBondContact O-CG 3.42Å; A64-R68 PolarHBondContact O-N 3.45Å; E65-R68 PolarHBondContact O-N 3.04Å; E65-R68 WeakPolarHBondContact OE2-CD 3.24Å; E65-R68 IonicContact OE2-CZ 2.93Å; E65-R68 IonicContact OE2-NH1 3.96Å; E65-R68 PolarHBondContact OE2-NH1 3.08Å; E65-R68 VanDerWaalsContact OE2-NH1 3.11Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 2.94Å; R68-V71 PolarHBondContact O-N 3.34Å; R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 2.74Å
69R97.6Very high95.2Very high171 Ų171110.7 Ų110.765%0.64553%0.526SS*.Hα-helixtrans-66.4-39.1177.7-172.9173.5179.4173.9-1112E65 L66 D67 A72 L73E65-R69 PolarHBondContact O-N 3.25Å; L66-R69 CarbonylContact O-C 3.54Å; L66-R69 WeakPolarHBondContact O-CB 3.49Å; L66-R69 PolarHBondContact O-N 2.72Å; L66-R69 VanDerWaalsContact O-N 3.12Å; D67-R69 VanDerWaalsContact C-N 3.31Å; D67-R69 PolarHBondContact O-N 2.99Å; R69-A72 PolarHBondContact O-N 3.09Å; R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CB 3.36Å; R69-L73 WeakPolarHBondContact O-CG 3.5Å; R69-L73 PolarHBondContact O-N 3.04Å
70I97.3Very high95.8Very high71 Ų71106.2 Ų106.236%0.36452%0.516SS..Hα-helixtrans-63.9-47.5176.3-70.1163.8000110.1L66 D67 A72 L73 R74L66-I70 VanDerWaalsContact O-CG1 3.26Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.01Å; D67-I70 PolarHBondContact O-N 2.69Å; I70-A72 PolarHBondContact O-N 3.4Å; I70-L73 PolarHBondContact O-N 2.78Å; I70-R74 WeakPolarHBondContact O-CG 3.26Å; I70-R74 PolarHBondContact O-N 3.47Å
71V97.3Very high96.3Very high89 Ų89104.2 Ų104.254%0.53951%0.51SS..Hα-helixtrans-63-43.3177.2172.60000111.1D67 R68 L73 R74 K75D67-V71 WeakPolarHBondContact O-CG2 3.41Å; D67-V71 PolarHBondContact O-N 3.26Å; R68-V71 PolarHBondContact O-N 3.34Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.38Å; V71-R74 PolarHBondContact O-N 2.66Å; V71-K75 PolarHBondContact O-N 2.72Å
72A96.4Very high96.7Very high45 Ų45106.6 Ų106.637%0.37251%0.514SS..Hα-helixtrans-61-40.4176.100000111.9R68 R69 I70 K76R68-A72 VanDerWaalsContact O-CB 3.29Å; R68-A72 WeakPolarHBondContact O-CB 3.46Å; R68-A72 PolarHBondContact O-N 2.74Å; R69-A72 PolarHBondContact O-N 3.09Å; I70-A72 PolarHBondContact O-N 3.4Å; A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 2.88Å
73L97.6Very high96.9Very high86 Ų86109.5 Ų109.545%0.4552%0.522SS..Hα-helixtrans-66.5-43.8175-81.3167.5000112R69 I70 V71 K75 K76 N77R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CB 3.36Å; R69-L73 WeakPolarHBondContact O-CG 3.5Å; R69-L73 PolarHBondContact O-N 3.04Å; I70-L73 PolarHBondContact O-N 2.78Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 3.38Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.49Å; L73-K76 PolarHBondContact O-N 3.49Å; L73-N77 WeakPolarHBondContact O-CB 3.36Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 2.86Å
74R97.3Very high97Very high177 Ų177112.5 Ų112.567%0.66853%0.529SS*.Hα-helixtrans-58.6-43.7175.3-73.6175.3179.5164.91.4111.6I70 V71 N77 Q78I70-R74 WeakPolarHBondContact O-CG 3.26Å; I70-R74 PolarHBondContact O-N 3.47Å; V71-R74 PolarHBondContact O-N 2.66Å; R74-N77 PolarHBondContact O-N 2.87Å; R74-Q78 WeakPolarHBondContact O-CB 3.22Å; R74-Q78 PolarHBondContact O-N 2.99Å
75K97.9Very high97.2Very high153 Ų153116.5 Ų116.567%0.66554%0.541SS*.Hα-helixtrans-64.4-41176.5-171.3175.2-178.5176.50112.3V71 L73 Q78 A79V71-K75 PolarHBondContact O-N 2.72Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.49Å; K75-Q78 PolarHBondContact O-N 3.38Å; K75-A79 PolarHBondContact O-N 2.87Å
76K98.3Very high97.3Very high138 Ų138117.1 Ų117.160%0.654%0.544SS*.Hα-helixtrans-64.2-44.1174.4-75.1176.2-179.4178.60111.7A72 L73 Q78 A79 L80A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 2.88Å; L73-K76 PolarHBondContact O-N 3.49Å; K76-Q78 VanDerWaalsContact C-N 3.32Å; K76-Q78 PolarHBondContact O-N 3.22Å; K76-A79 WeakPolarHBondContact O-CB 3.49Å; K76-A79 PolarHBondContact O-N 3.18Å; K76-L80 WeakPolarHBondContact O-CG 3.42Å; K76-L80 PolarHBondContact O-N 3.5Å
77N96.8Very high97.2Very high89 Ų89115.8 Ų115.848%0.47654%0.537SS..Hα-helixtrans-63.9-39.2176.9-70.5-6.4000111.5L73 R74 A79 L80 L81L73-N77 WeakPolarHBondContact O-CB 3.36Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 2.86Å; R74-N77 PolarHBondContact O-N 2.87Å; N77-A79 PolarHBondContact O-N 3.45Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.42Å; N77-L81 WeakPolarHBondContact O-CG 3.19Å; N77-L81 PolarHBondContact O-N 3.41Å
78Q97.6Very high97.2Very high103 Ų103114.1 Ų114.148%0.48153%0.525SS..Hα-helixtrans-62.1-42.3173.1-173.1-177.741.100111.9R74 K75 K76 L80 L81 R82R74-Q78 WeakPolarHBondContact O-CB 3.22Å; R74-Q78 PolarHBondContact O-N 2.99Å; K75-Q78 PolarHBondContact O-N 3.38Å; K76-Q78 VanDerWaalsContact C-N 3.32Å; K76-Q78 PolarHBondContact O-N 3.22Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.45Å; Q78-L81 PolarHBondContact O-N 3.36Å; Q78-R82 PolarHBondContact O-N 2.85Å
79A96.4Very high97Very high57 Ų57109.3 Ų109.347%0.47151%0.51SS..Hα-helixtrans-63.3-38.2175.700000112.1K75 K76 N77 R82 R83K75-A79 PolarHBondContact O-N 2.87Å; K76-A79 WeakPolarHBondContact O-CB 3.49Å; K76-A79 PolarHBondContact O-N 3.18Å; N77-A79 PolarHBondContact O-N 3.45Å; A79-R82 PolarHBondContact O-N 3.23Å; A79-R83 PolarHBondContact O-N 3.04Å
80L97.6Very high96.8Very high111 Ų111105.1 Ų105.158%0.58150%0.501SS*.Hα-helixtrans-63.8-43.1174.7-71173000112.1K76 N77 Q78 R83 Y84K76-L80 WeakPolarHBondContact O-CG 3.42Å; K76-L80 PolarHBondContact O-N 3.5Å; N77-L80 WeakPolarHBondContact O-CB 3.45Å; N77-L80 PolarHBondContact O-N 3.42Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.45Å; L80-R83 PolarHBondContact O-N 2.87Å; L80-Y84 WeakPolarHBondContact O-CB 3.45Å; L80-Y84 PolarHBondContact O-N 2.92Å
81L97.2Very high96.7Very high108 Ų108108.6 Ų108.657%0.56551%0.509SS*.Hα-helixtrans-62.4-42.8176.2-72.1170.9000111.8N77 Q78 Y84 Q85N77-L81 WeakPolarHBondContact O-CG 3.19Å; N77-L81 PolarHBondContact O-N 3.41Å; Q78-L81 PolarHBondContact O-N 3.36Å; L81-Y84 PolarHBondContact O-N 3.34Å; L81-Q85 WeakPolarHBondContact O-CG 3.21Å; L81-Q85 PolarHBondContact O-N 3.38Å
82R97.3Very high96.5Very high159 Ų159109.6 Ų109.660%0.650%0.503SS*.Hα-helixtrans-62.1-46175.2-75.8-169.7178.7157.1-0112.4Q78 A79 Y84 Q85 E86Q78-R82 PolarHBondContact O-N 2.85Å; A79-R82 PolarHBondContact O-N 3.23Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; R82-Q85 WeakPolarHBondContact O-CB 3.42Å; R82-Q85 PolarHBondContact O-N 2.81Å; R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 PolarHBondContact O-N 2.92Å
83R97.8Very high96.2Very high158 Ų158112.4 Ų112.460%0.59651%0.509SS*.Hα-helixtrans-62.6-37.1176.5-174.9176.4-178.2-94.7-3.4111.9A79 L80 E86 I87A79-R83 PolarHBondContact O-N 3.04Å; L80-R83 PolarHBondContact O-N 2.87Å; R83-E86 PolarHBondContact O-N 3.24Å; R83-I87 HydrophobicContact CG-CD1 3.91Å; R83-I87 HydrophobicContact CG-CG1 4.44Å; R83-I87 WeakPolarHBondContact O-CB 3.42Å; R83-I87 WeakPolarHBondContact O-CD1 3.11Å; R83-I87 WeakPolarHBondContact O-CG1 3.29Å; R83-I87 PolarHBondContact O-N 3.02Å
84Y97.4Very high95.7Very high142 Ų142110 Ų11056%0.55750%0.501SS*.Hα-helixtrans-64.2-44.6175.2-178.2-97000111.2L80 L81 R82 I87 Q88L80-Y84 WeakPolarHBondContact O-CB 3.45Å; L80-Y84 PolarHBondContact O-N 2.92Å; L81-Y84 PolarHBondContact O-N 3.34Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; Y84-I87 PolarHBondContact O-N 3.28Å; Y84-Q88 HydrophobicContact CD1-CG 4.16Å; Y84-Q88 HydrophobicContact CE1-CG 3.77Å; Y84-Q88 VanDerWaalsContact CZ-NE2 3.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 2.91Å; Y84-Q88 PolarHBondContact OH-NE2 3.09Å
85Q97.7Very high95Very high124 Ų124106.3 Ų106.358%0.57949%0.491SS*.Hα-helixtrans-60.6-44.8175.5-70.9168.93.900111.8L81 R82 I87 Q88 E89L81-Q85 WeakPolarHBondContact O-CG 3.21Å; L81-Q85 PolarHBondContact O-N 3.38Å; R82-Q85 WeakPolarHBondContact O-CB 3.42Å; R82-Q85 PolarHBondContact O-N 2.81Å; Q85-I87 PolarHBondContact O-N 2.81Å; Q85-Q88 PolarHBondContact O-N 3.15Å; Q85-E89 PolarHBondContact O-N 2.95Å
86E96.1Very high94.4Very high116 Ų116106.1 Ų106.154%0.54249%0.493SS..Hα-helixtrans-57.9-47.3174.5-176.9-178.6-168.300111.4R82 R83 Q88 E89 D90R82-E86 WeakPolarHBondContact O-CB 3.45Å; R82-E86 PolarHBondContact O-N 2.92Å; R83-E86 PolarHBondContact O-N 3.24Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.13Å; E86-E89 WeakPolarHBondContact O-CB 3.4Å; E86-E89 PolarHBondContact O-N 2.86Å; E86-E89 VanDerWaalsContact O-N 3.1Å; E86-D90 VanDerWaalsContact O-CG 3.31Å; E86-D90 PolarHBondContact O-N 3.02Å
87I95.4Very high93.6Very high69 Ų69102.1 Ų102.135%0.35449%0.491SS..Hα-helixtrans-62.9-36.9176.8-69.4164.6000111.9R83 Y84 Q85 E89 R91R83-I87 HydrophobicContact CG-CD1 3.91Å; R83-I87 HydrophobicContact CG-CG1 4.44Å; R83-I87 WeakPolarHBondContact O-CB 3.42Å; R83-I87 WeakPolarHBondContact O-CD1 3.11Å; R83-I87 WeakPolarHBondContact O-CG1 3.29Å; R83-I87 PolarHBondContact O-N 3.02Å; Y84-I87 PolarHBondContact O-N 3.28Å; Q85-I87 PolarHBondContact O-N 2.81Å; I87-E89 VanDerWaalsContact C-N 3.33Å; I87-R91 WeakPolarHBondContact O-CB 3.05Å; I87-R91 PolarHBondContact O-N 2.9Å
88Q96.3Very high91.9Very high64 Ų64101.1 Ų101.130%0.29950%0.501SS..Hα-helixtrans-69.1-34.5175.8-68.5-56.1-2900111.9Y84 Q85 E86 R92Y84-Q88 HydrophobicContact CD1-CG 4.16Å; Y84-Q88 HydrophobicContact CE1-CG 3.77Å; Y84-Q88 VanDerWaalsContact CZ-NE2 3.31Å; Y84-Q88 WeakPolarHBondContact O-CG 3.4Å; Y84-Q88 PolarHBondContact O-N 2.91Å; Y84-Q88 PolarHBondContact OH-NE2 3.09Å; Q85-Q88 PolarHBondContact O-N 3.15Å; E86-Q88 VanDerWaalsContact C-N 3.3Å; E86-Q88 PolarHBondContact O-N 3.13Å; Q88-R92 WeakPolarHBondContact O-CB 3.34Å; Q88-R92 PolarHBondContact O-N 3.48Å
89E93.6Very high89.8Confident65 Ų65104 Ų10430%0.30452%0.517SS..Hα-helixtrans-66.5-51.7174-170.761-136.400110.7Q85 E86 I87 R91 R92 Q93Q85-E89 PolarHBondContact O-N 2.95Å; E86-E89 WeakPolarHBondContact O-CB 3.4Å; E86-E89 PolarHBondContact O-N 2.86Å; E86-E89 VanDerWaalsContact O-N 3.1Å; I87-E89 VanDerWaalsContact C-N 3.33Å; E89-R91 PolarHBondContact O-N 3.41Å; E89-R92 WeakPolarHBondContact O-CA 3.47Å; E89-R92 WeakPolarHBondContact O-CB 3.47Å; E89-R92 PolarHBondContact O-N 2.96Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NH1 2.9Å; E89-R92 PolarHBondContact OE1-NH1 2.9Å; E89-R92 IonicContact OE2-CZ 3.04Å; E89-R92 IonicContact OE2-NH1 2.67Å; E89-R92 PolarHBondContact OE2-NH1 3.34Å; E89-R92 IonicContact OE2-NH2 2.7Å; E89-R92 PolarHBondContact OE2-NH2 3.19Å; E89-Q93 WeakPolarHBondContact O-CG 3.49Å; E89-Q93 PolarHBondContact O-N 2.83Å; E89-Q93 PolarHBondContact OE1-NE2 2.84Å
90D93.8Very high87.6Confident84 Ų84102.6 Ų102.645%0.44951%0.505SS..Hα-helixtrans-57.3-40.8176.6-69.4-4.7000111.4E86 Q93 A94E86-D90 VanDerWaalsContact O-CG 3.31Å; E86-D90 PolarHBondContact O-N 3.02Å; D90-Q93 PolarHBondContact O-N 2.7Å; D90-A94 VanDerWaalsContact O-CB 3.26Å; D90-A94 WeakPolarHBondContact O-CB 3.22Å; D90-A94 PolarHBondContact O-N 2.67Å
91R94.2Very high85.4Confident144 Ų144103.7 Ų103.754%0.54352%0.516SS..Hα-helixtrans-60.8-47.4175178.8178.4177.91661.6111.1I87 E89 Q93 A94 E95I87-R91 WeakPolarHBondContact O-CB 3.05Å; I87-R91 PolarHBondContact O-N 2.9Å; E89-R91 PolarHBondContact O-N 3.41Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-A94 PolarHBondContact O-N 2.97Å; R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.64Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.31Å; R91-E95 IonicContact NH2-OE1 3.53Å; R91-E95 WeakPolarHBondContact O-CB 3.43Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.19Å
92R94Very high83.1Confident110 Ų110104.1 Ų104.142%0.41552%0.524SS..Hα-helixtrans-63.2-41.8178.5-162.2-166.5-43.5125.917.5111.2Q88 E89 E95 Q96Q88-R92 WeakPolarHBondContact O-CB 3.34Å; Q88-R92 PolarHBondContact O-N 3.48Å; E89-R92 WeakPolarHBondContact O-CA 3.47Å; E89-R92 WeakPolarHBondContact O-CB 3.47Å; E89-R92 PolarHBondContact O-N 2.96Å; E89-R92 IonicContact OE1-CZ 3.66Å; E89-R92 IonicContact OE1-NH1 2.9Å; E89-R92 PolarHBondContact OE1-NH1 2.9Å; E89-R92 IonicContact OE2-CZ 3.04Å; E89-R92 IonicContact OE2-NH1 2.67Å; E89-R92 PolarHBondContact OE2-NH1 3.34Å; E89-R92 IonicContact OE2-NH2 2.7Å; E89-R92 PolarHBondContact OE2-NH2 3.19Å; R92-E95 PolarHBondContact O-N 3.1Å; R92-Q96 WeakPolarHBondContact O-CB 3.4Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.34Å; R92-Q96 PolarHBondContact O-N 2.83Å
93Q90.4Very high80.8Confident103 Ų103102.1 Ų102.148%0.48153%0.529SS..Hα-helixtrans-65.7-41.5177.1-70.3-179.612.100111.9E89 D90 R91 E95 Q96 G97E89-Q93 WeakPolarHBondContact O-CG 3.49Å; E89-Q93 PolarHBondContact O-N 2.83Å; E89-Q93 PolarHBondContact OE1-NE2 2.84Å; D90-Q93 PolarHBondContact O-N 2.7Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; Q93-Q96 PolarHBondContact O-N 2.89Å; Q93-G97 PolarHBondContact O-N 2.92Å
94A86.2Confident78.5Confident35 Ų35100.2 Ų100.229%0.28954%0.538SS..Hα-helixtrans-65.3-38.6175.100000111.9D90 R91 G98 M99 A100D90-A94 VanDerWaalsContact O-CB 3.26Å; D90-A94 WeakPolarHBondContact O-CB 3.22Å; D90-A94 PolarHBondContact O-N 2.67Å; R91-A94 PolarHBondContact O-N 2.97Å; A94-G98 PolarHBondContact O-N 2.88Å; A94-M99 PolarHBondContact O-N 3.48Å; A94-A100 HydrophobicContact CB-CB 4.34Å; A94-A100 PolarHBondContact O-N 2.84Å
95E84.1Confident75.9Confident100 Ų10097.4 Ų97.447%0.46754%0.544SS..Hα-helixtrans-66.3-44.6175-73.8172.5-171.600111.4R91 R92 Q93 G98 A100R91-E95 WeakPolarHBondContact CG-OE1 3.39Å; R91-E95 IonicContact CZ-OE1 3.64Å; R91-E95 IonicContact NE-OE1 2.85Å; R91-E95 PolarHBondContact NE-OE1 3.31Å; R91-E95 IonicContact NH2-OE1 3.53Å; R91-E95 WeakPolarHBondContact O-CB 3.43Å; R91-E95 VanDerWaalsContact O-CG 3.28Å; R91-E95 WeakPolarHBondContact O-CG 3.45Å; R91-E95 PolarHBondContact O-N 3.19Å; R92-E95 PolarHBondContact O-N 3.1Å; Q93-E95 VanDerWaalsContact C-N 3.35Å; E95-G98 PolarHBondContact O-N 3.49Å; E95-A100 HydrophobicContact CB-CB 4.25Å; E95-A100 HydrophobicContact CG-CB 3.59Å
96Q84.9Confident73.7Confident149 Ų149100 Ų10070%0.69656%0.56SS**Hα-helixtrans-65.7-36.5175.6-72.7174.79.400112.7R92 Q93 G98R92-Q96 WeakPolarHBondContact O-CB 3.4Å; R92-Q96 VanDerWaalsContact O-CG 3.24Å; R92-Q96 WeakPolarHBondContact O-CG 3.34Å; R92-Q96 PolarHBondContact O-N 2.83Å; Q93-Q96 PolarHBondContact O-N 2.89Å; Q96-G98 PolarHBondContact O-N 3.39Å
97G80.2Confident71.4Confident55 Ų55102.1 Ų102.157%0.56758%0.575SS**THydrogen-bonded Turntrans-78.32.817600000114.3Q93 M99Q93-G97 PolarHBondContact O-N 2.92Å; G97-M99 PolarHBondContact O-N 3.37Å
98G62Low69Low67 Ų67107.4 Ų107.469%0.69159%0.59SS**THydrogen-bonded Turntrans62.211.8-177.300000114.4A94 E95 Q96A94-G98 PolarHBondContact O-N 2.88Å; E95-G98 PolarHBondContact O-N 3.49Å; Q96-G98 PolarHBondContact O-N 3.39Å
99M53.9Low66.8Low163 Ų163109.2 Ų109.280%0.80361%0.608SS**  trans-93.9-12.7-179.7-66.2-159.475.900112.8A94 G97 V101A94-M99 PolarHBondContact O-N 3.48Å; G97-M99 PolarHBondContact O-N 3.37Å; M99-V101 PolarHBondContact O-N 2.82Å
100A50.6Low64.4Low28 Ų28113.2 Ų113.223%0.23163%0.631CS.*SBendtrans-60.5121.8164.800000107.3A94 E95 T102A94-A100 HydrophobicContact CB-CB 4.34Å; A94-A100 PolarHBondContact O-N 2.84Å; E95-A100 HydrophobicContact CB-CB 4.25Å; E95-A100 HydrophobicContact CG-CB 3.59Å; A100-T102 PolarHBondContact O-N 2.83Å
101V50.8Low62.6Low134 Ų134112 Ų11281%0.81264%0.638SS**  trans-56.390166.9178.10000106.3M99 T103M99-V101 PolarHBondContact O-N 2.82Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.97Å
102T47.8Very low61Low118 Ų118110 Ų11072%0.72464%0.638SS**  trans-54.6106.3159.728.20000103.5A100 P104A100-T102 PolarHBondContact O-N 2.83Å; T102-P104 WeakPolarHBondContact O-CD 3.47Å
103T50.1Low59.1Low116 Ų116108.8 Ų108.871%0.71264%0.643SS**  trans-41.8120.3158.839.10000105.7V101 A105V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.97Å; T103-A105 PolarHBondContact O-N 3.42Å
104P49.5Very low57.5Low119 Ų119107.3 Ų107.377%0.77364%0.641SS**  trans-54.4106.2-176-24.931.9000107.8T102 L106T102-P104 WeakPolarHBondContact O-CD 3.47Å; P104-L106 PolarHBondContact O-N 2.9Å
105A43.1Very low56Low83 Ų83109.5 Ų109.569%0.68665%0.651SS**  trans-64.2104.6172.600000104.9T103 L107T103-A105 PolarHBondContact O-N 3.42Å; A105-L107 PolarHBondContact O-N 2.89Å
106L50Low54.5Low177 Ų177110.1 Ų110.193%0.92766%0.656SS**  trans15.466.1159.3-89153.9000113.9P104 R108P104-L106 PolarHBondContact O-N 2.9Å; L106-R108 PolarHBondContact O-N 2.72Å; L106-R108 VanDerWaalsContact O-N 3.14Å
107L47.7Very low52.9Low161 Ų161106.7 Ų106.784%0.84365%0.648SS**  trans-71.9116.3167.6-74.2179.2000105.4A105A105-L107 PolarHBondContact O-N 2.89Å
108R46.7Very low51.7Low180 Ų180112.7 Ų112.768%0.67966%0.662SS**  trans-24.3130.8163.9-87.9-59.7-31.4-177.19.2111.2L106 D110L106-R108 PolarHBondContact O-N 2.72Å; L106-R108 VanDerWaalsContact O-N 3.14Å; R108-D110 VanDerWaalsContact C-N 3.26Å; R108-D110 PolarHBondContact O-N 3.03Å
109P49.6Very low51.4Low103 Ų103113.9 Ų113.967%0.66966%0.656SS**  trans-65.991.5173.522.9-31000109.4G111P109-G111 PolarHBondContact O-N 2.89Å
110D43.5Very low50.9Low148 Ų148112.5 Ų112.579%0.79166%0.659SS**  trans-77.894.3163.8-74.9-16.5000107.5R108 L112R108-D110 VanDerWaalsContact C-N 3.26Å; R108-D110 PolarHBondContact O-N 3.03Å; D110-L112 PolarHBondContact O-N 2.71Å
111G55.8Low51.2Low59 Ų59115.3 Ų115.361%0.60869%0.69SS**SBendtrans69.811.4141.900000120.5P109P109-G111 PolarHBondContact O-N 2.89Å
112L60.5Low51.8Low103 Ų103116.6 Ų116.654%0.53969%0.687SS.*  trans-104.686.6171.1-167.670.5000111.8D110 V114 R128D110-L112 PolarHBondContact O-N 2.71Å; L112-V114 HydrophobicContact CD2-CG2 4.49Å; L112-V114 HydrophobicContact CG-CG2 4.2Å; L112-R128 HydrophobicContact CD1-CG 3.89Å
113T53.9Low52.4Low83 Ų83120.2 Ų120.251%0.50969%0.693SS.*  trans-93.5105.716849.60000109.9T115 N129T113-T115 PolarHBondContact O-N 2.99Å; T113-N129 PolarHBondContact O-OD1 3.32Å; T113-N129 PolarHBondContact OG1-OD1 2.9Å
114V55.7Low52.6Low73 Ų73125.1 Ų125.144%0.44270%0.699SS.*EExtended strand (participates in β ladder)trans-87.598.2170.6-177.20000108.2L112 I116 V126L112-V114 HydrophobicContact CD2-CG2 4.49Å; L112-V114 HydrophobicContact CG-CG2 4.2Å; V114-I116 HydrophobicContact CG1-CG1 4.33Å; V114-V126 HydrophobicContact CG1-CG1 3.61Å
115T55.7Low52.9Low81 Ų81124 Ų12450%0.49769%0.69SS.*EExtended strand (participates in β ladder)trans-80.8118.5175.146.90000110.2T113 S127T113-T115 PolarHBondContact O-N 2.99Å; T115-S127 PolarHBondContact OG1-OG 2.9Å
116I52.6Low53.1Low112 Ų112125 Ų12557%0.57469%0.687SS**EExtended strand (participates in β ladder)trans-102.196.7175-55.4172.8000107.6V114 Q118V114-I116 HydrophobicContact CG1-CG1 4.33Å; I116-Q118 HydrophobicContact CG2-CG 4.29Å; I116-Q118 PolarHBondContact O-N 3.14Å
117S51.4Low53.1Low77 Ų77119.1 Ų119.154%0.53866%0.66SS.*  trans-73.2107.6174.763.10000109.6V119S117-V119 PolarHBondContact O-N 3.1Å
118Q53.9Low53.1Low181 Ų181120.9 Ų120.985%0.84666%0.656SS**  trans-90.489.1171.1-68.1-17475.500108.7I116I116-Q118 HydrophobicContact CG2-CG 4.29Å; I116-Q118 PolarHBondContact O-N 3.14Å
119V55.8Low53.3Low93 Ų93116.4 Ų116.456%0.56465%0.645SS**  trans-103.9124164.9-168.90000107.5S117 G121S117-V119 PolarHBondContact O-N 3.1Å; V119-G121 PolarHBondContact O-N 2.96Å; V119-G121 VanDerWaalsContact O-N 3.11Å
120P44.7Very low53.1Low133 Ų133119.8 Ų119.886%0.86465%0.645SS**THydrogen-bonded Turntrans-65.5113-178.8-16.328.9000110.5
121G55.9Low52.7Low87 Ų87117.4 Ų117.490%0.89765%0.646SS**THydrogen-bonded Turntrans122.7-9.3173.600000115.9V119V119-G121 PolarHBondContact O-N 2.96Å; V119-G121 VanDerWaalsContact O-N 3.11Å
122E63.7Low51.8Low161 Ų161123.6 Ų123.675%0.75265%0.651SS**SBendtrans-118.2153-175-155.4153.7-171.400113.1R124E122-R124 PolarHBondContact O-N 3.26Å
123K61.4Low50.4Low195 Ų195121.7 Ų121.785%0.84866%0.656SS**  trans-64.1133.9-176.3-66.9179-177173.50109.6V125K123-V125 PolarHBondContact O-N 3.3Å
124R53.6Low49.2Very low218 Ų218124.3 Ų124.382%0.82367%0.673SS**  trans-59.7107.9178.3-70-178.7-96-179.7-2.8110E122E122-R124 PolarHBondContact O-N 3.26Å
125V55.1Low48.2Very low97 Ų97127 Ų12759%0.58869%0.693SS**  trans-96.5117.6170.3-179.50000107.8K123K123-V125 PolarHBondContact O-N 3.3Å
126V47.1Very low46.8Very low103 Ų103126.6 Ų126.662%0.62471%0.705SS**EExtended strand (participates in β ladder)trans-95.499.8170.6-179.70000106V114V114-V126 HydrophobicContact CG1-CG1 3.61Å
127S50.5Low46.2Very low53 Ų53127.5 Ų127.537%0.37172%0.718SS.*EExtended strand (participates in β ladder)trans-84.9132.2174.355.20000109.9T115T115-S127 PolarHBondContact OG1-OG 2.9Å
128R47.4Very low45.2Very low198 Ų198127.3 Ų127.375%0.74773%0.728SS**EExtended strand (participates in β ladder)trans-107.7107.6169.1-174179-164.4-174.33.6107L112L112-R128 HydrophobicContact CD1-CG 3.89Å
129N50.9Low44.2Very low86 Ų86124.8 Ų124.846%0.4673%0.725SS.*  trans-94.3113.3173.257-17.1000109.4T113T113-N129 PolarHBondContact O-OD1 3.32Å; T113-N129 PolarHBondContact OG1-OD1 2.9Å
130W45Very low43Very low174 Ų174126.2 Ų126.266%0.65973%0.734SS**  trans-84.2124.5161.955-80.7000106.7R132W130-R132 HydrophobicContact CE3-CB 4.02Å; W130-R132 HydrophobicContact CH2-CB 4.08Å; W130-R132 HydrophobicContact CH2-CG 4.11Å; W130-R132 VanDerWaalsContact CZ3-CA 3.47Å; W130-R132 HydrophobicContact CZ3-CB 3.49Å; W130-R132 VanDerWaalsContact CZ3-CB 3.49Å; W130-R132 HydrophobicContact CZ3-CG 3.71Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.16Å
131A36.6Very low42.4Very low98 Ų98126.2 Ų126.281%0.8173%0.727SS**  trans-65.6116.3167.800000107.2G133A131-G133 PolarHBondContact O-N 3.47Å
132R36.1Very low41.5Very low189 Ų189131.7 Ų131.771%0.71373%0.729SS**  trans-63101.5173.2-179.4-176.5-63-101.21.4108.1W130 T134W130-R132 HydrophobicContact CE3-CB 4.02Å; W130-R132 HydrophobicContact CH2-CB 4.08Å; W130-R132 HydrophobicContact CH2-CG 4.11Å; W130-R132 VanDerWaalsContact CZ3-CA 3.47Å; W130-R132 HydrophobicContact CZ3-CB 3.49Å; W130-R132 VanDerWaalsContact CZ3-CB 3.49Å; W130-R132 HydrophobicContact CZ3-CG 3.71Å; W130-R132 PolarHBondContact O-N 3Å; W130-R132 VanDerWaalsContact O-N 3.16Å; R132-T134 PolarHBondContact O-N 3.26Å
133G30.7Very low40.4Very low64 Ų64130.7 Ų130.766%0.6673%0.726SS**  trans-55.4128.216100000108.4A131 C135A131-G133 PolarHBondContact O-N 3.47Å; G133-C135 PolarHBondContact O-N 2.96Å
134T30.3Very low39.3Very low138 Ų138129.4 Ų129.485%0.84773%0.727SS**  trans-64.1109.6179.743.60000110.6R132R132-T134 PolarHBondContact O-N 3.26Å
135C33.8Very low38.7Very low130 Ų130125.9 Ų125.988%0.87872%0.72SS**PPolyproline II helixtrans-80.7121.3152.6-770000108G133G133-C135 PolarHBondContact O-N 2.96Å
136G26.7Very low37.8Very low72 Ų72129.3 Ų129.374%0.74274%0.735SS**PPolyproline II helixtrans-88.6135.7169.600000110.9
137P40.7Very low37.9Very low130 Ų130131.5 Ų131.584%0.84474%0.739SS**PPolyproline II helixtrans-97.2142177.112.75.4000114.1
138G28.8Very low37.6Very low73 Ų73135.7 Ų135.775%0.75376%0.757SS**  trans89.5137.8158.900000115
139V33Very low37.6Very low128 Ų128131.1 Ų131.178%0.77676%0.761SS**  cis-170.8134.345.4149.60000110.2
140T31.1Very low37.5Very low123 Ų123133.7 Ų133.776%0.75577%0.771SS**  trans55.3112.3151.862.40000120.6
141N31.5Very low37.7Very low133 Ų133131.8 Ų131.871%0.71177%0.773SS**  739475-16117.8000113.9
142E38.5Very low37.7Very low202 Ų202135.7 Ų135.794%0.94477%0.774SS**  trans-133.9114.8142.4-98.2-172.3143.100107.2
143M39Very low37.8Very low140 Ų140130.1 Ų130.169%0.6978%0.776SS**  trans-73.7137.6172.6-66177.861.700110
144L39.2Very low38Very low168 Ų168129.7 Ų129.788%0.8877%0.771SS**  -154.6136.1129.4-155.476000109.6
145E40.8Very low38.5Very low145 Ų145129.1 Ų129.168%0.67877%0.768SS**  trans-71.5144-172.8-61.3153.5160.700111.9
146D36.2Very low38.4Very low168 Ų168132.1 Ų132.190%0.89877%0.767SS**  trans-148.3132.7134.7-157.230.4000107.8
147E49.8Very low39.3Very low150 Ų150134.6 Ų134.670%0.70177%0.771SS**  trans-83.2169.6-169.2-62-107.9119.200111.4
148D44.7Very low40Very low141 Ų141136.7 Ų136.775%0.75477%0.774SS**  trans85.973.9169.9-51-34.9000118
149A46.8Very low40.8Very low101 Ų101136.1 Ų136.184%0.83577%0.768SS**  trans-156.465.2148.800000111
150E48.5Very low41.8Very low141 Ų141138.8 Ų138.866%0.65977%0.772SS**  trans-56.2135.2170.3-84.470.7-171.800112.7
151D48.3Very low43Very low134 Ų134140.1 Ų140.172%0.71777%0.774SS**  trans55123.9155.2-64.9-26.8000116.1
152H37.8Very low44.2Very low179 Ų179136.8 Ų136.883%0.82976%0.758SS**  -154.580.752-67.653.7000107.9G154H152-G154 PolarHBondContact O-N 2.98Å
153G38.3Very low45.7Very low73 Ų73133.5 Ų133.575%0.75374%0.742SS**  trans-6885.2159.200000107.7T155G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.5Å
154G34.5Very low47.2Very low54 Ų54131.7 Ų131.756%0.55774%0.735SS**  trans-57.689.8-178.700000110.8H152 F156H152-G154 PolarHBondContact O-N 2.98Å; G154-F156 VanDerWaalsContact O-CD2 3.29Å; G154-F156 WeakPolarHBondContact O-CD2 3.27Å; G154-F156 PolarHBondContact O-N 3.02Å
155T40.2Very low48.5Very low126 Ų126124.5 Ų124.577%0.77370%0.7SS**  trans-65.390.7162.8480000106.1G153 C157G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.5Å; T155-C157 PolarHBondContact O-N 3.2Å
156F33Very low49.5Very low194 Ų194121.8 Ų121.885%0.85169%0.693SS**  trans-56.6112.7164.5-64.9-83.4000106.3G154 L158G154-F156 VanDerWaalsContact O-CD2 3.29Å; G154-F156 WeakPolarHBondContact O-CD2 3.27Å; G154-F156 PolarHBondContact O-N 3.02Å; F156-L158 PolarHBondContact O-N 3.47Å
157C43.8Very low50.8Low123 Ų123117.5 Ų117.583%0.83167%0.673SS**  trans-48.7120.3173.9-61.40000107.6T155 G159T155-C157 PolarHBondContact O-N 3.2Å; C157-G159 VanDerWaalsContact C-N 3.29Å; C157-G159 PolarHBondContact O-N 3.41Å
158L55.3Low51.3Low175 Ų175115.4 Ų115.492%0.91666%0.664SS**  trans-54.299.7170.4-123.778.5000106.5F156 E160F156-L158 PolarHBondContact O-N 3.47Å; L158-E160 PolarHBondContact O-N 2.86Å
159G46.3Very low51.9Low60 Ų60112.2 Ų112.262%0.61965%0.645SS**  trans-58.1134178.700000109.1C157 L161C157-G159 VanDerWaalsContact C-N 3.29Å; C157-G159 PolarHBondContact O-N 3.41Å; G159-L161 PolarHBondContact O-N 2.97Å
160E54.5Low52.5Low185 Ų185112 Ų11286%0.86463%0.63SS**  trans-57.6108.6177.1-163.7171.1-170.100108.9L158 V162L158-E160 PolarHBondContact O-N 2.86Å; E160-V162 PolarHBondContact O-N 3.41Å
161L55.9Low53Low151 Ų151115.1 Ų115.179%0.79164%0.641SS**  trans-74.1100-179.8-76.4173.4000109.1G159G159-L161 PolarHBondContact O-N 2.97Å
162V56.1Low53.4Low62 Ų62113.7 Ų113.738%0.37665%0.648SS.*  trans-77.1122171.9174.20000110.1E160 L164 E180E160-V162 PolarHBondContact O-N 3.41Å; V162-L164 HydrophobicContact CG1-CD2 4.2Å; V162-L164 HydrophobicContact CG1-CG 4.41Å; V162-L164 PolarHBondContact O-N 2.84Å; V162-E180 HydrophobicContact CG1-CB 4.06Å; V162-E180 HydrophobicContact CG1-CG 3.42Å; V162-E180 VanDerWaalsContact CG1-CG 3.42Å; V162-E180 WeakPolarHBondContact CG1-OE1 3.39Å; V162-E180 WeakPolarHBondContact CG2-OE1 3.47Å
163E69.6Low54.5Low133 Ų133109.4 Ų109.462%0.62163%0.628SS**EExtended strand (participates in β ladder)trans-84.3110.2173-166.3-178.2167.400110.2K181E163-K181 PolarHBondContact O-N 3.39Å; E163-K181 VanDerWaalsContact O-N 3.08Å
164L71.9Confident55.3Low102 Ų102110.6 Ų110.653%0.53463%0.631SS.*EExtended strand (participates in β ladder)trans-88112176-64.7168.3000110V162 V166 V178 E180V162-L164 HydrophobicContact CG1-CD2 4.2Å; V162-L164 HydrophobicContact CG1-CG 4.41Å; V162-L164 PolarHBondContact O-N 2.84Å; L164-V166 PolarHBondContact O-N 3.41Å; L164-V178 HydrophobicContact CB-CG1 4.23Å; L164-V178 HydrophobicContact CD1-CG1 4.48Å; L164-V178 HydrophobicContact CD2-CG1 3.86Å; L164-V178 HydrophobicContact CG-CG1 4.42Å; L164-E180 HydrophobicContact CD2-CB 3.88Å
165A65.4Low56.5Low17 Ų17114 Ų11414%0.1463%0.631CS.*EExtended strand (participates in β ladder)trans-85.7109.417100000109.6T167 S179 K181A165-T167 PolarHBondContact O-N 3.31Å; A165-S179 PolarHBondContact N-O 3.33Å; A165-S179 PolarHBondContact O-N 3.21Å; A165-S179 VanDerWaalsContact O-N 3.08Å; A165-S179 PolarHBondContact O-OG 2.87Å; A165-K181 HydrophobicContact CB-CD 4.01Å; A165-K181 HydrophobicContact CB-CG 4.45Å
166V62.3Low57.6Low89 Ų89117.3 Ų117.354%0.53963%0.629SS.*EExtended strand (participates in β ladder)trans-90.997.2172.1-175.70000108.5L164 V178L164-V166 PolarHBondContact O-N 3.41Å; V166-V178 HydrophobicContact CG2-CG2 4.37Å
167T63.7Low59.1Low77 Ų77111.8 Ų111.847%0.47261%0.607SS.*EExtended strand (participates in β ladder)trans-94119.3172.251.60000109.2A165 E169 I177A165-T167 PolarHBondContact O-N 3.31Å; T167-E169 PolarHBondContact O-N 2.88Å; T167-I177 PolarHBondContact N-O 2.86Å
168M61.4Low59.8Low106 Ų106110.1 Ų110.152%0.52259%0.593SS.*EExtended strand (participates in β ladder)trans-73.198.6163.6-67.8-66.6-44.100107.2R176M168-R176 HydrophobicContact CE-CG 4.28Å; M168-R176 HydrophobicContact SD-CG 3.71Å
169E56.1Low60.1Low75 Ų75104 Ų10435%0.3557%0.565SS.*EExtended strand (participates in β ladder)trans-74.2128.1167.762.7178.9-165.800108.4T167 I177T167-E169 PolarHBondContact O-N 2.88Å; E169-I177 HydrophobicContact CG-CD1 4.3Å; E169-I177 HydrophobicContact CG-CG1 4.49Å; E169-I177 WeakPolarHBondContact OE1-CD1 3.42Å; E169-I177 VanDerWaalsContact OE2-CD1 3.24Å; E169-I177 WeakPolarHBondContact OE2-CD1 3.24Å
170N59.7Low60.8Low95 Ų95107 Ų10751%0.50856%0.563SS.*  trans49.2103.8167.8-48.2-17.7000115.9A172 E173N170-A172 PolarHBondContact O-N 3.19Å; N170-E173 HydrophobicContact CB-CG 3.69Å; N170-E173 PolarHBondContact ND2-OE1 2.82Å; N170-E173 CarbonylContact O-C 3.6Å; N170-E173 PolarHBondContact O-N 3.47Å; N170-E173 VanDerWaalsContact O-O 3.1Å
171K59.3Low61.1Low208 Ų208103.7 Ų103.790%0.90455%0.545SS*.THydrogen-bonded Turntrans-53.9-11.1176.9-66.2-175177.1179.20115.7
172A57.4Low60.3Low104 Ų104101.2 Ų101.286%0.8654%0.538SS*.THydrogen-bonded Turntrans-86.2-23.6177.300000113.5N170N170-A172 PolarHBondContact O-N 3.19Å
173E60.2Low59.5Low89 Ų89104.5 Ų104.542%0.41655%0.552SS.*SBendtrans-128.198.4-178.541.9-170.6156.600107.3N170 K175N170-E173 HydrophobicContact CB-CG 3.69Å; N170-E173 PolarHBondContact ND2-OE1 2.82Å; N170-E173 CarbonylContact O-C 3.6Å; N170-E173 PolarHBondContact O-N 3.47Å; N170-E173 VanDerWaalsContact O-O 3.1Å; E173-K175 PolarHBondContact O-N 3.33Å
174A54.9Low58.2Low97 Ų97109 Ų10980%0.80256%0.564SS**  trans-68.459.5-171.300000113.7
175K58.9Low56.4Low127 Ų127107.7 Ų107.755%0.55257%0.568SS**EExtended strand (participates in β ladder)trans-106.8129.6175.6-64.5177.7-175.8166.60108.8E173E173-K175 PolarHBondContact O-N 3.33Å
176R64.6Low55Low195 Ų195116.9 Ų116.974%0.73660%0.599SS**EExtended strand (participates in β ladder)trans-103.1118.2177.4-61-175.7178.7167.10.7107.1M168M168-R176 HydrophobicContact CE-CG 4.28Å; M168-R176 HydrophobicContact SD-CG 3.71Å
177I63.4Low53.8Low77 Ų77119.8 Ų119.840%0.39561%0.611SS.*EExtended strand (participates in β ladder)trans-100.1125.3169.7-56.4-177.9000107.4T167 E169T167-I177 PolarHBondContact N-O 2.86Å; E169-I177 HydrophobicContact CG-CD1 4.3Å; E169-I177 HydrophobicContact CG-CG1 4.49Å; E169-I177 WeakPolarHBondContact OE1-CD1 3.42Å; E169-I177 VanDerWaalsContact OE2-CD1 3.24Å; E169-I177 WeakPolarHBondContact OE2-CD1 3.24Å
178V58.3Low52.8Low89 Ų89123.6 Ų123.654%0.53962%0.624SS.*EExtended strand (participates in β ladder)trans-101.1111.8172.9-1780000106.1L164 V166L164-V178 HydrophobicContact CB-CG1 4.23Å; L164-V178 HydrophobicContact CD1-CG1 4.48Å; L164-V178 HydrophobicContact CD2-CG1 3.86Å; L164-V178 HydrophobicContact CG-CG1 4.42Å; V166-V178 HydrophobicContact CG2-CG2 4.37Å
179S62.3Low51.4Low45 Ų45122 Ų12232%0.31563%0.634SS.*EExtended strand (participates in β ladder)trans-10812317459.30000109.4A165A165-S179 PolarHBondContact N-O 3.33Å; A165-S179 PolarHBondContact O-N 3.21Å; A165-S179 VanDerWaalsContact O-N 3.08Å; A165-S179 PolarHBondContact O-OG 2.87Å
180E61.5Low50.2Low125 Ų125125.3 Ų125.358%0.58466%0.66SS**EExtended strand (participates in β ladder)trans-75.2117.8167.9159.1162-15800108.4V162 L164 P182V162-E180 HydrophobicContact CG1-CB 4.06Å; V162-E180 HydrophobicContact CG1-CG 3.42Å; V162-E180 VanDerWaalsContact CG1-CG 3.42Å; V162-E180 WeakPolarHBondContact CG1-OE1 3.39Å; V162-E180 WeakPolarHBondContact CG2-OE1 3.47Å; L164-E180 HydrophobicContact CD2-CB 3.88Å; E180-P182 WeakPolarHBondContact O-CD 3.22Å
181K60.9Low49.1Very low114 Ų114129.1 Ų129.150%0.49668%0.675SS.*EExtended strand (participates in β ladder)trans-97.6109.4173-71.5177.3179.6173.40107.4E163 A165 I183E163-K181 PolarHBondContact O-N 3.39Å; E163-K181 VanDerWaalsContact O-N 3.08Å; A165-K181 HydrophobicContact CB-CD 4.01Å; A165-K181 HydrophobicContact CB-CG 4.45Å; K181-I183 PolarHBondContact O-N 2.78Å
182P38.6Very low47.6Very low99 Ų99128 Ų12864%0.64367%0.673SS**  trans-62132.3166.225.7-31000107.6E180 R184E180-P182 WeakPolarHBondContact O-CD 3.22Å; P182-R184 VanDerWaalsContact C-N 3.28Å; P182-R184 PolarHBondContact O-N 3.49Å
183I40.4Very low46.8Very low131 Ų131128.5 Ų128.567%0.67267%0.67SS**  trans-61.394.1175.8-64.7168.4000106.7K181 A185K181-I183 PolarHBondContact O-N 2.78Å; I183-A185 PolarHBondContact O-N 3.34Å; I183-A185 VanDerWaalsContact O-N 3.09Å
184R41.8Very low46.2Very low227 Ų227130 Ų13086%0.85769%0.687SS**  trans-65.8112.8166.6-77.3-171.4179.1-166.6-0.3106.2P182 R186P182-R184 VanDerWaalsContact C-N 3.28Å; P182-R184 PolarHBondContact O-N 3.49Å; R184-R186 PolarHBondContact O-N 2.88Å
185A34.6Very low45.1Very low75 Ų75129.3 Ų129.362%0.6269%0.69SS**  trans-44117.2164.600000108.4I183 N187I183-A185 PolarHBondContact O-N 3.34Å; I183-A185 VanDerWaalsContact O-N 3.09Å; A185-N187 VanDerWaalsContact C-N 3.25Å; A185-N187 PolarHBondContact O-N 2.82Å
186R34.7Very low43.9Very low210 Ų210127 Ų12779%0.79270%0.703SS**  trans-68.185.8178.3-179.1-179.6179.9173.2-1.6107.9R184 Q188R184-R186 PolarHBondContact O-N 2.88Å; R186-Q188 HydrophobicContact CG-CG 4.33Å; R186-Q188 PolarHBondContact O-N 3.48Å
187N37.5Very low42.3Very low150 Ų150129.2 Ų129.280%0.80271%0.711SS**  trans-72.3107.1162-67.1-41.6000107.1A185A185-N187 VanDerWaalsContact C-N 3.25Å; A185-N187 PolarHBondContact O-N 2.82Å
188Q42.9Very low41.3Very low158 Ų158132 Ų13274%0.73873%0.731SS**  trans-76.8124.9158.1-65-153.5108.400107R186R186-Q188 HydrophobicContact CG-CG 4.33Å; R186-Q188 PolarHBondContact O-N 3.48Å
189G30.8Very low40.2Very low72 Ų72134 Ų13474%0.74274%0.743SS**  trans-78.2164.3-177.900000113.3
190T31.6Very low39.1Very low145 Ų145143.4 Ų143.489%0.8977%0.772SS**  trans-126.4125.4143.8-49.60000105.1
191E37.2Very low37.8Very low175 Ų175142.5 Ų142.582%0.81878%0.78SS**  trans-54.7150.5164.9-65.2-161.5137.700109.5
192E27.6Very low37.1Very low184 Ų184142.8 Ų142.886%0.8679%0.793SS**  -161.1163.358.8-76.6176.814100111.3
193S40.6Very low37.4Very low114 Ų114143.9 Ų143.980%0.79780%0.8SS**  trans-68.9-175.7174.1-1320000113.2
194P47.5Very low37.1Very low120 Ų120146.5 Ų146.578%0.77981%0.812SS**  cis-139.2168.1-2.535.7-14.9000116.4
195G32.3Very low36.6Very low84 Ų84145 Ų14587%0.86681%0.814SS**  trans112.2123.1146.100000117
196G33.3Very low36.8Very low79 Ų79147.5 Ų147.581%0.81482%0.822SS**  trans154.489.8164.600000116.2
197R31.6Very low36.6Very low241 Ų241142.1 Ų142.191%0.90982%0.823SS**  trans2.4131.1157.2-64.6173.9-166.9-89.6-2.6120
198V42.5Very low36.5Very low136 Ų136142.5 Ų142.582%0.82482%0.823SS**  14.4119127-178.50000116.5
199T33.9Very low36Very low129 Ų129140.3 Ų140.379%0.79183%0.825SS**  -159.8126.2124.2-70.80000109.3
200R40.4Very low36.6Very low243 Ų243144.9 Ų144.992%0.91783%0.832SS**  trans-71.5133.6170.8-77.4174.3162.7-166.6-4.6109.3
201S33.6Very low36.7Very low107 Ų107145.3 Ų145.375%0.74883%0.829SS**  trans-133.1128.6160.5-550000108.7
202P46.8Very low36.8Very low120 Ų120141.6 Ų141.678%0.77982%0.822SS**PPolyproline II helixtrans-81152.9172.532-30000111
203P43.6Very low37.3Very low121 Ų121137.4 Ų137.479%0.78682%0.819SS**PPolyproline II helixtrans-76.4140.9-176.429.7-32.9000112.7Q205P203-Q205 PolarHBondContact O-N 3.27Å
204M33.6Very low37Very low187 Ų187143.6 Ų143.692%0.92182%0.824SS**PPolyproline II helixtrans-56.7128175.1-85.6-179.5157.500112
205Q32.7Very low36.6Very low194 Ų194148 Ų14891%0.90783%0.831SS**PPolyproline II helixtrans-86.6117.4166.4-64177.576.900107.8P203 A207P203-Q205 PolarHBondContact O-N 3.27Å; Q205-A207 PolarHBondContact O-N 2.93Å
206V37.4Very low36.6Very low128 Ų128147 Ų14778%0.77682%0.821SS**  trans-87.5100.9175.6-158.30000107.8I208V206-I208 HydrophobicContact CG1-CG1 4.3Å
207A32.3Very low36.9Very low98 Ų98147.9 Ų147.981%0.8182%0.821SS**  trans-81.3115.9165.600000108Q205Q205-A207 PolarHBondContact O-N 2.93Å
208I33.7Very low36.8Very low157 Ų157148.6 Ų148.681%0.80582%0.824SS**  trans-98.8106.1165.7-59.1177.4000107V206V206-I208 HydrophobicContact CG1-CG1 4.3Å
209S33.6Very low36.2Very low113 Ų113150.8 Ų150.879%0.7983%0.825SS**  trans-60.9137.8173.3-171.60000111.1
210L43Very low36.6Very low168 Ų168150.5 Ų150.588%0.8883%0.826SS**  trans-101.7106.3175.5-165.788.3000109.1
211D33.8Very low36.1Very low154 Ų154150.4 Ų150.482%0.82483%0.825SS**  trans170.4148.2154.2-116.4-22.9000107.8
212S38.6Very low36.4Very low96 Ų96150.3 Ų150.367%0.67183%0.825SS**  cis-164.4153.612.652.10000109.2
213A38.5Very low36Very low96 Ų96154.9 Ų154.979%0.79383%0.827SS**  trans33.7104.3143.700000120.6
214R35.5Very low36.1Very low244 Ų244154.8 Ų154.892%0.92183%0.826SS**  trans-137.3100.4134.5-149.3173.7-166.8-110.23110.6G216R214-G216 PolarHBondContact O-N 2.86Å
215K37.8Very low36.7Very low212 Ų212152.4 Ų152.492%0.92282%0.822SS**  trans-59.1120.2160.1-97.6-177.8173.7-90.90108.1
216G33.3Very low37Very low64 Ų64146.1 Ų146.166%0.6681%0.808SS**  trans-137.6107.9161.500000106.8R214 W218R214-G216 PolarHBondContact O-N 2.86Å; G216-W218 PolarHBondContact O-N 3.04Å
217A38.3Very low36.9Very low98 Ų98148.8 Ų148.881%0.8181%0.812SS**  trans-65.5121.6179.100000110.3
218W30.2Very low37.4Very low256 Ų256149.4 Ų149.497%0.9781%0.808SS**  trans-132.2119.4150.8-73.390.7000106.7G216G216-W218 PolarHBondContact O-N 3.04Å
219E29.6Very low38.2Very low181 Ų181147.6 Ų147.685%0.84681%0.807SS**  trans-70.4153.9-178.7-152.7161.5-154.100110.2R221E219-R221 PolarHBondContact O-N 3.06Å
220P43Very low39.1Very low124 Ų124151.2 Ų151.281%0.80581%0.811SS**  trans-80107.5-165.213.50.5000110.8S222P220-S222 PolarHBondContact O-N 3.2Å
221R30Very low39.9Very low240 Ų240147.7 Ų147.791%0.90681%0.806SS**  trans-85.998.9170.3-159.8172.8-173.8-170.40.4109.7E219E219-R221 PolarHBondContact O-N 3.06Å
222S40.2Very low41Very low106 Ų106143 Ų14374%0.74179%0.794SS**  trans27.1108.6146.6-43.30000118.4P220P220-S222 PolarHBondContact O-N 3.2Å
223R38.4Very low41.9Very low216 Ų216146.8 Ų146.882%0.81579%0.794SS**  trans-41.6131.3159.2-157.9175164.6-133-4.1112.7
224P43.8Very low43.9Very low118 Ų118147.6 Ų147.677%0.76678%0.784SS**  trans-77.2125.5152-320.9000108G226P224-G226 PolarHBondContact O-N 3.26Å; P224-G226 VanDerWaalsContact O-N 3.12Å
225V47.7Very low46.4Very low138 Ų138144 Ų14484%0.83677%0.772SS**  trans-61.8107.3165.2173.10000107.1
226G37.5Very low48.7Very low61 Ų61137.3 Ų137.363%0.62976%0.756SS**  trans-138.6133.7169.900000107P224P224-G226 PolarHBondContact O-N 3.26Å; P224-G226 VanDerWaalsContact O-N 3.12Å
227E37Very low51.5Low184 Ų184139.8 Ų139.886%0.8675%0.751SS**  trans-45147.5-163-69.5174.3131.500116.2
228P42.3Very low54.1Low111 Ų111139.6 Ų139.672%0.72173%0.729SS**  trans-62.2140.1166.9-9.524.4000109.7E230P228-E230 VanDerWaalsContact C-N 3.31Å; P228-E230 PolarHBondContact O-N 2.75Å
229P50.2Low57.2Low120 Ų120132.5 Ų132.578%0.77971%0.705SS**  trans-63.895.8163.1-13.827.7000108.3A231P229-A231 PolarHBondContact O-N 3.26Å
230E53.6Low60.3Low189 Ų189128.7 Ų128.788%0.88369%0.688SS**THydrogen-bonded Turntrans-72.836.1177.5-148.6-176.7-156.100112.1P228P228-E230 VanDerWaalsContact C-N 3.31Å; P228-E230 PolarHBondContact O-N 2.75Å
231A58.9Low62.7Low94 Ų94127 Ų12778%0.77767%0.669SS**THydrogen-bonded Turntrans-142.624.2-177.700000112.6P229P229-A231 PolarHBondContact O-N 3.26Å
232G56.5Low65.9Low54 Ų54121.9 Ų121.956%0.55765%0.649SS**  trans-121.277.816000000107.3D234G232-D234 VanDerWaalsContact C-N 3.28Å; G232-D234 PolarHBondContact O-N 2.93Å
233W57Low68.4Low177 Ų177120.9 Ų120.967%0.6763%0.633SS**  trans-57.8106.7163.1-70.987.4000105.8Y235W233-Y235 PolarHBondContact O-N 2.98Å
234D81.9Confident71Confident112 Ų112115.9 Ų115.960%0.59962%0.619SS**  trans-52.5118.8177.4-81.8-30.5000106.1G232 A236 Q237 W238G232-D234 VanDerWaalsContact C-N 3.28Å; G232-D234 PolarHBondContact O-N 2.93Å; D234-A236 CarbonylContact O-C 3.56Å; D234-A236 PolarHBondContact O-N 3.44Å; D234-Q237 HydrophobicContact CB-CB 4.28Å; D234-Q237 WeakPolarHBondContact O-CA 3.39Å; D234-Q237 WeakPolarHBondContact O-CB 3.49Å; D234-Q237 PolarHBondContact O-N 3.34Å; D234-W238 PolarHBondContact O-N 3.12Å
235Y86.6Confident73.1Confident168 Ų168113.2 Ų113.266%0.65960%0.598SS**Hα-helixtrans-52.2-27.5-176.2-178.8-98.5000111.4W233 W238 K239W233-Y235 PolarHBondContact O-N 2.98Å; Y235-W238 AromaticContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CZ3 4.03Å; Y235-W238 AromaticContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CH2 4.47Å; Y235-W238 AromaticContact CE2-CZ3 3.42Å; Y235-W238 HydrophobicContact CE2-CZ3 3.42Å; Y235-W238 VanDerWaalsContact CE2-CZ3 3.42Å; Y235-W238 AromaticContact CZ-CZ3 3.94Å; Y235-K239 WeakPolarHBondContact O-CB 3.24Å; Y235-K239 PolarHBondContact O-N 3.25Å
236A87.3Confident75.2Confident72 Ų72109.9 Ų109.960%0.59558%0.575SS**Hα-helixtrans-62.2-48.4169.700000113.6D234 K239 Q240D234-A236 CarbonylContact O-C 3.56Å; D234-A236 PolarHBondContact O-N 3.44Å; A236-K239 PolarHBondContact O-N 2.91Å; A236-Q240 VanDerWaalsContact O-CB 3.24Å; A236-Q240 WeakPolarHBondContact O-CB 3.41Å; A236-Q240 PolarHBondContact O-N 3.12Å
237Q91.9Very high77.6Confident117 Ų117112.3 Ų112.355%0.54757%0.573SS.*Hα-helixtrans-66.4-42.2177.7-169.7177.26.700111.5D234 Q240 E241D234-Q237 HydrophobicContact CB-CB 4.28Å; D234-Q237 WeakPolarHBondContact O-CA 3.39Å; D234-Q237 WeakPolarHBondContact O-CB 3.49Å; D234-Q237 PolarHBondContact O-N 3.34Å; Q237-Q240 PolarHBondContact O-N 2.83Å; Q237-E241 WeakPolarHBondContact O-CB 3.46Å; Q237-E241 PolarHBondContact O-N 3.41Å
238W93.2Very high79.7Confident94 Ų94105.2 Ų105.236%0.35655%0.546SS..Hα-helixtrans-63.4-42.9174.6171.578.1000112.3D234 Y235 Q240 E241 R242D234-W238 PolarHBondContact O-N 3.12Å; Y235-W238 AromaticContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CE3 3.83Å; Y235-W238 HydrophobicContact CD2-CZ3 4.03Å; Y235-W238 AromaticContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CE3 3.72Å; Y235-W238 HydrophobicContact CE2-CH2 4.47Å; Y235-W238 AromaticContact CE2-CZ3 3.42Å; Y235-W238 HydrophobicContact CE2-CZ3 3.42Å; Y235-W238 VanDerWaalsContact CE2-CZ3 3.42Å; Y235-W238 AromaticContact CZ-CZ3 3.94Å; W238-Q240 VanDerWaalsContact C-N 3.34Å; W238-E241 PolarHBondContact O-N 3.49Å; W238-R242 HydrophobicContact CD2-CG 4.2Å; W238-R242 HydrophobicContact CZ2-CG 4.05Å; W238-R242 WeakPolarHBondContact O-CB 3.37Å; W238-R242 VanDerWaalsContact O-CG 3.29Å; W238-R242 WeakPolarHBondContact O-CG 3.36Å; W238-R242 PolarHBondContact O-N 2.89Å
239K95.1Very high81.7Confident106 Ų106105.1 Ų105.146%0.46153%0.531SS..Hα-helixtrans-64.2-41.8176.4-173.4-179.4-179.4-166.40111Y235 A236 R242 E243Y235-K239 WeakPolarHBondContact O-CB 3.24Å; Y235-K239 PolarHBondContact O-N 3.25Å; A236-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-N 2.87Å; K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 WeakPolarHBondContact O-CB 3.49Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.24Å
240Q95.1Very high83.1Confident102 Ų102102.4 Ų102.448%0.47751%0.51SS..Hα-helixtrans-63.2-40.6175.6-172.663.734.100111.8A236 Q237 W238 Q244A236-Q240 VanDerWaalsContact O-CB 3.24Å; A236-Q240 WeakPolarHBondContact O-CB 3.41Å; A236-Q240 PolarHBondContact O-N 3.12Å; Q237-Q240 PolarHBondContact O-N 2.83Å; W238-Q240 VanDerWaalsContact C-N 3.34Å; Q240-Q244 WeakPolarHBondContact O-CB 3.26Å; Q240-Q244 VanDerWaalsContact O-CG 3.26Å; Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.02Å; Q240-Q244 PolarHBondContact O-NE2 2.92Å
241E93.4Very high84.2Confident89 Ų8997 Ų9742%0.41650%0.497SS..Hα-helixtrans-65.2-44.6174.9-169.9-162.4164.300111.2Q237 W238 E243 Q244 I245Q237-E241 WeakPolarHBondContact O-CB 3.46Å; Q237-E241 PolarHBondContact O-N 3.41Å; W238-E241 PolarHBondContact O-N 3.49Å; E241-E243 PolarHBondContact O-N 3.45Å; E241-Q244 WeakPolarHBondContact O-CB 3.16Å; E241-Q244 PolarHBondContact O-N 2.9Å; E241-I245 HydrophobicContact CG-CD1 4.1Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.26Å; E241-I245 PolarHBondContact O-N 3.46Å
242R96.1Very high84.7Confident131 Ų131100.8 Ų100.849%0.49449%0.491SS..Hα-helixtrans-59.8-45.3175.8-78.2-84145.9112-4.4111.8W238 K239 Q244 I245 D246W238-R242 HydrophobicContact CD2-CG 4.2Å; W238-R242 HydrophobicContact CZ2-CG 4.05Å; W238-R242 WeakPolarHBondContact O-CB 3.37Å; W238-R242 VanDerWaalsContact O-CG 3.29Å; W238-R242 WeakPolarHBondContact O-CG 3.36Å; W238-R242 PolarHBondContact O-N 2.89Å; K239-R242 PolarHBondContact O-N 2.87Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; R242-I245 PolarHBondContact O-N 3.26Å; R242-D246 WeakPolarHBondContact O-CB 3.46Å; R242-D246 PolarHBondContact O-N 3.06Å
243E93.1Very high84.9Confident85 Ų85101.2 Ų101.240%0.39748%0.479SS..Hα-helixtrans-63.7-39175.4-75.1176-16800111.5K239 E241 D246 L247K239-E243 WeakPolarHBondContact CE-OE1 3.33Å; K239-E243 WeakPolarHBondContact O-CB 3.49Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.24Å; E241-E243 PolarHBondContact O-N 3.45Å; E243-D246 PolarHBondContact O-N 3.01Å; E243-L247 WeakPolarHBondContact O-CB 3.46Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.46Å
244Q92.4Very high85.5Confident111 Ų111100.2 Ų100.252%0.51948%0.475SS..Hα-helixtrans-65.6-40.4173.2-77-179.585.500112.7Q240 E241 R242 D246 L247 A248Q240-Q244 WeakPolarHBondContact O-CB 3.26Å; Q240-Q244 VanDerWaalsContact O-CG 3.26Å; Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.02Å; Q240-Q244 PolarHBondContact O-NE2 2.92Å; E241-Q244 WeakPolarHBondContact O-CB 3.16Å; E241-Q244 PolarHBondContact O-N 2.9Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-D246 VanDerWaalsContact C-N 3.3Å; Q244-D246 PolarHBondContact O-N 3.36Å; Q244-L247 PolarHBondContact O-N 2.76Å; Q244-A248 WeakPolarHBondContact O-CB 3.3Å; Q244-A248 PolarHBondContact O-N 3.13Å
245I88.1Confident84.6Confident62 Ų6298 Ų9832%0.31846%0.463SS..Hα-helixtrans-63.2-41.4175.1-71.5166.4000110.2E241 R242 A248 R249E241-I245 HydrophobicContact CG-CD1 4.1Å; E241-I245 VanDerWaalsContact O-CG1 3.27Å; E241-I245 WeakPolarHBondContact O-CG1 3.26Å; E241-I245 PolarHBondContact O-N 3.46Å; R242-I245 PolarHBondContact O-N 3.26Å; I245-A248 PolarHBondContact O-N 3.21Å; I245-R249 VanDerWaalsContact O-CB 3.22Å; I245-R249 WeakPolarHBondContact O-CB 3.45Å; I245-R249 PolarHBondContact O-N 3.4Å
246D92.5Very high83.7Confident69 Ų6995.6 Ų95.637%0.36948%0.478SS..Hα-helixtrans-68.9-43.6176.7-77.4-24.9000111.2R242 E243 Q244 A248 R249 L250R242-D246 WeakPolarHBondContact O-CB 3.46Å; R242-D246 PolarHBondContact O-N 3.06Å; E243-D246 PolarHBondContact O-N 3.01Å; Q244-D246 VanDerWaalsContact C-N 3.3Å; Q244-D246 PolarHBondContact O-N 3.36Å; D246-A248 VanDerWaalsContact C-N 3.34Å; D246-A248 PolarHBondContact O-N 2.94Å; D246-R249 CarbonylContact O-C 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.22Å; D246-R249 PolarHBondContact O-N 3.13Å; D246-R249 VanDerWaalsContact O-N 3.16Å; D246-R249 IonicContact OD1-CZ 3.51Å; D246-R249 IonicContact OD1-NH1 2.89Å; D246-R249 PolarHBondContact OD1-NH1 3.16Å; D246-L250 WeakPolarHBondContact O-CB 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.32Å; D246-L250 PolarHBondContact O-N 3.39Å
247L86.4Confident82.6Confident112 Ų112100.6 Ų100.659%0.58649%0.489SS*.Hα-helixtrans-60.3-42172.9-73.2173000112E243 Q244 R249 L250 A251E243-L247 WeakPolarHBondContact O-CB 3.46Å; E243-L247 VanDerWaalsContact O-CG 3.24Å; E243-L247 WeakPolarHBondContact O-CG 3.36Å; E243-L247 PolarHBondContact O-N 3.46Å; Q244-L247 PolarHBondContact O-N 2.76Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.31Å
248A82.5Confident81.4Confident34 Ų3497 Ų9728%0.28148%0.483SS..Hα-helixtrans-67.8-35.6175.900000111.7Q244 I245 D246 R252Q244-A248 WeakPolarHBondContact O-CB 3.3Å; Q244-A248 PolarHBondContact O-N 3.13Å; I245-A248 PolarHBondContact O-N 3.21Å; D246-A248 VanDerWaalsContact C-N 3.34Å; D246-A248 PolarHBondContact O-N 2.94Å; A248-R252 WeakPolarHBondContact O-CB 3.14Å; A248-R252 VanDerWaalsContact O-CG 3.3Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.01Å; A248-R252 VanDerWaalsContact O-N 3.13Å; A248-R252 PolarHBondContact O-NE 3.49Å
249R82.8Confident80.2Confident110 Ų11095.7 Ų95.742%0.41548%0.483SS..Hα-helixtrans-65.3-41.7171.3-175.1-173-67.4155.10.9110.6I245 D246 L247 R252 H253I245-R249 VanDerWaalsContact O-CB 3.22Å; I245-R249 WeakPolarHBondContact O-CB 3.45Å; I245-R249 PolarHBondContact O-N 3.4Å; D246-R249 CarbonylContact O-C 3.49Å; D246-R249 WeakPolarHBondContact O-CB 3.22Å; D246-R249 PolarHBondContact O-N 3.13Å; D246-R249 VanDerWaalsContact O-N 3.16Å; D246-R249 IonicContact OD1-CZ 3.51Å; D246-R249 IonicContact OD1-NH1 2.89Å; D246-R249 PolarHBondContact OD1-NH1 3.16Å; L247-R249 VanDerWaalsContact C-N 3.34Å; R249-R252 PolarHBondContact O-N 3.31Å; R249-H253 WeakPolarHBondContact O-CB 3.37Å; R249-H253 PolarHBondContact O-CD2 3.23Å; R249-H253 VanDerWaalsContact O-CD2 3.26Å; R249-H253 PolarHBondContact O-N 3.38Å
250L80.1Confident78.9Confident63 Ų6396.7 Ų96.733%0.3348%0.484SS..Hα-helixtrans-68.1-40.3178.2-69.7174.8000111.2D246 L247 R252 H253 R254 W260D246-L250 WeakPolarHBondContact O-CB 3.29Å; D246-L250 WeakPolarHBondContact O-CG 3.32Å; D246-L250 PolarHBondContact O-N 3.39Å; L247-L250 CarbonylContact O-C 3.59Å; L247-L250 PolarHBondContact O-N 3.42Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.46Å; L250-H253 PolarHBondContact O-N 2.77Å; L250-R254 PolarHBondContact O-N 2.8Å; L250-W260 VanDerWaalsContact CA-CZ3 3.42Å; L250-W260 HydrophobicContact CB-CH2 3.5Å; L250-W260 VanDerWaalsContact CB-CH2 3.5Å; L250-W260 HydrophobicContact CB-CZ3 3.86Å; L250-W260 HydrophobicContact CD2-CD2 4.37Å; L250-W260 HydrophobicContact CD2-CE3 3.94Å; L250-W260 HydrophobicContact CD2-CH2 3.1Å; L250-W260 HydrophobicContact CD2-CZ2 3.52Å; L250-W260 HydrophobicContact CD2-CZ3 3.34Å; L250-W260 HydrophobicContact CG-CH2 3.79Å; L250-W260 HydrophobicContact CG-CZ2 4.47Å; L250-W260 HydrophobicContact CG-CZ3 4.13Å; L250-W260 WeakPolarHBondContact O-CH2 3.23Å; L250-W260 VanDerWaalsContact O-CZ3 3.23Å; L250-W260 WeakPolarHBondContact O-CZ3 3.46Å
251A76.6Confident77.6Confident75 Ų7597.3 Ų97.362%0.6248%0.482SS*.Hα-helixtrans-65.5-35.4177.400000112.7L247 H253L247-A251 VanDerWaalsContact O-CB 3.32Å; L247-A251 WeakPolarHBondContact O-CB 3.42Å; L247-A251 PolarHBondContact O-N 3.31Å; A251-H253 VanDerWaalsContact C-N 3.34Å
252R71.1Confident76.4Confident173 Ų17398.1 Ų98.165%0.65348%0.481SS*.Hα-helixtrans-77.4-16.2177.6-73.5179.8-72.1-130.60.8114.2A248 R249 L250A248-R252 WeakPolarHBondContact O-CB 3.14Å; A248-R252 VanDerWaalsContact O-CG 3.3Å; A248-R252 WeakPolarHBondContact O-CG 3.49Å; A248-R252 PolarHBondContact O-N 3.01Å; A248-R252 VanDerWaalsContact O-N 3.13Å; A248-R252 PolarHBondContact O-NE 3.49Å; R249-R252 PolarHBondContact O-N 3.31Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 3.46Å
253H60.5Low74.8Confident63 Ų6397 Ų9729%0.29249%0.492SS..THydrogen-bonded Turntrans-127.327.4-170.2-69.4-61.7000114.4R249 L250 A251 W260R249-H253 WeakPolarHBondContact O-CB 3.37Å; R249-H253 PolarHBondContact O-CD2 3.23Å; R249-H253 VanDerWaalsContact O-CD2 3.26Å; R249-H253 PolarHBondContact O-N 3.38Å; L250-H253 PolarHBondContact O-N 2.77Å; A251-H253 VanDerWaalsContact C-N 3.34Å; H253-W260 HydrophobicContact CB-CE3 4.2Å; H253-W260 HydrophobicContact CB-CZ3 4.27Å; H253-W260 VanDerWaalsContact O-CE3 3.23Å; H253-W260 WeakPolarHBondContact O-CZ3 3.31Å
254R68.4Low73.4Confident157 Ų157100.5 Ų100.559%0.59250%0.501SS*.  trans-93.2118.6157.8-71.8-177-179.8135.70.7108.3L250 W260L250-R254 PolarHBondContact O-N 2.8Å; R254-W260 HydrophobicContact CG-CH2 3.54Å; R254-W260 HydrophobicContact CG-CZ2 4.12Å; R254-W260 HydrophobicContact CG-CZ3 3.84Å
255D63.9Low72.3Confident66 Ų6697.2 Ų97.235%0.35349%0.487SS..  trans-71.1167.316062.924.7000109.6Q257 G258 D259D255-Q257 PolarHBondContact O-N 2.9Å; D255-Q257 VanDerWaalsContact OD1-C 3.3Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.36Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.47Å; D255-Q257 PolarHBondContact OD1-N 2.78Å; D255-G258 PolarHBondContact O-N 2.93Å; D255-G258 PolarHBondContact OD1-N 2.9Å; D255-D259 WeakPolarHBondContact OD1-CB 3.39Å; D255-D259 PolarHBondContact OD1-N 3.02Å; D255-D259 WeakPolarHBondContact OD2-CB 3.49Å
256A66.7Low71Confident117 Ų11799.8 Ų99.897%0.96750%0.501SS*.THydrogen-bonded Turntrans-61.5-5.7178.500000113.6
257Q64.6Low69.4Low176 Ų176101.5 Ų101.582%0.82251%0.51SS*.THydrogen-bonded Turntrans-101.4-3.6172.6-69.2-147.7-78.300113.9D255 D259D255-Q257 PolarHBondContact O-N 2.9Å; D255-Q257 VanDerWaalsContact OD1-C 3.3Å; D255-Q257 WeakPolarHBondContact OD1-CA 3.36Å; D255-Q257 WeakPolarHBondContact OD1-CB 3.47Å; D255-Q257 PolarHBondContact OD1-N 2.78Å; Q257-D259 VanDerWaalsContact C-N 3.34Å
258G67.8Low68.2Low42 Ų42104 Ų10443%0.43352%0.516SS..  trans79.214.1-178.500000114.5D255D255-G258 PolarHBondContact O-N 2.93Å; D255-G258 PolarHBondContact OD1-N 2.9Å
259D67.3Low66.8Low66 Ų66105.1 Ų105.135%0.35353%0.525SS..  trans-85.9131.7178.8-105.119.8000110.5D255 Q257 R261D255-D259 WeakPolarHBondContact OD1-CB 3.39Å; D255-D259 PolarHBondContact OD1-N 3.02Å; D255-D259 WeakPolarHBondContact OD2-CB 3.49Å; Q257-D259 VanDerWaalsContact C-N 3.34Å; D259-R261 HydrophobicContact CB-CG 4.39Å; D259-R261 PolarHBondContact O-N 3.31Å; D259-R261 IonicContact OD2-CZ 2.71Å; D259-R261 IonicContact OD2-NE 2.98Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.41Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å
260W68.6Low65.3Low127 Ų127106.4 Ų106.448%0.48153%0.534SS..  trans-84.190.7176.8-61.2101.4000109.9L250 H253 R254L250-W260 VanDerWaalsContact CA-CZ3 3.42Å; L250-W260 HydrophobicContact CB-CH2 3.5Å; L250-W260 VanDerWaalsContact CB-CH2 3.5Å; L250-W260 HydrophobicContact CB-CZ3 3.86Å; L250-W260 HydrophobicContact CD2-CD2 4.37Å; L250-W260 HydrophobicContact CD2-CE3 3.94Å; L250-W260 HydrophobicContact CD2-CH2 3.1Å; L250-W260 HydrophobicContact CD2-CZ2 3.52Å; L250-W260 HydrophobicContact CD2-CZ3 3.34Å; L250-W260 HydrophobicContact CG-CH2 3.79Å; L250-W260 HydrophobicContact CG-CZ2 4.47Å; L250-W260 HydrophobicContact CG-CZ3 4.13Å; L250-W260 WeakPolarHBondContact O-CH2 3.23Å; L250-W260 VanDerWaalsContact O-CZ3 3.23Å; L250-W260 WeakPolarHBondContact O-CZ3 3.46Å; H253-W260 HydrophobicContact CB-CE3 4.2Å; H253-W260 HydrophobicContact CB-CZ3 4.27Å; H253-W260 VanDerWaalsContact O-CE3 3.23Å; H253-W260 WeakPolarHBondContact O-CZ3 3.31Å; R254-W260 HydrophobicContact CG-CH2 3.54Å; R254-W260 HydrophobicContact CG-CZ2 4.12Å; R254-W260 HydrophobicContact CG-CZ3 3.84Å
261R66.8Low64Low115 Ų115108.4 Ų108.443%0.43455%0.551SS.*  trans-129.6122.4-180-63.1-176.5-175.1-81.1-5.2112.1D259D259-R261 HydrophobicContact CB-CG 4.39Å; D259-R261 PolarHBondContact O-N 3.31Å; D259-R261 IonicContact OD2-CZ 2.71Å; D259-R261 IonicContact OD2-NE 2.98Å; D259-R261 PolarHBondContact OD2-NE 3.38Å; D259-R261 IonicContact OD2-NH2 3.41Å; D259-R261 PolarHBondContact OD2-NH2 3.21Å
262R69.1Low62.8Low106 Ų106111.2 Ų111.240%0.456%0.56SS.*  trans-83.2155.1166.3-57.3-177.6177-138.52.2109.4W264 D265R262-W264 PolarHBondContact O-N 2.99Å; R262-D265 VanDerWaalsContact CB-OD2 3.22Å; R262-D265 WeakPolarHBondContact CB-OD2 3.41Å; R262-D265 WeakPolarHBondContact CG-OD2 3.44Å; R262-D265 PolarHBondContact N-OD2 3.41Å; R262-D265 WeakPolarHBondContact O-CB 3.4Å; R262-D265 PolarHBondContact O-N 3.04Å
263P61.4Low61.7Low109 Ų109109.2 Ų109.271%0.70856%0.562SS**THydrogen-bonded Turntrans-55.8-22.2179.5-28.936.1000115.8
264W63.8Low60.8Low157 Ų157114.8 Ų114.860%0.59559%0.588SS**THydrogen-bonded Turntrans-95.6-617759.8-83.9000114R262 L266R262-W264 PolarHBondContact O-N 2.99Å; W264-L266 VanDerWaalsContact C-N 3.29Å
265D69.2Low59.1Low42 Ų42113.1 Ų113.123%0.22559%0.591CS.*G310 helixtrans-79.4-15172.4-63.4-36.4000112R262 D267 K268 A269R262-D265 VanDerWaalsContact CB-OD2 3.22Å; R262-D265 WeakPolarHBondContact CB-OD2 3.41Å; R262-D265 WeakPolarHBondContact CG-OD2 3.44Å; R262-D265 PolarHBondContact N-OD2 3.41Å; R262-D265 WeakPolarHBondContact O-CB 3.4Å; R262-D265 PolarHBondContact O-N 3.04Å; D265-D267 PolarHBondContact O-N 3.41Å; D265-K268 PolarHBondContact O-N 3.5Å; D265-K268 VanDerWaalsContact O-N 3.09Å; D265-A269 PolarHBondContact O-N 2.98Å
266L62Low57.6Low116 Ų116116.8 Ų116.861%0.60762%0.62SS**G310 helixtrans-57.8-32.4173.5-66.6176.4000112W264W264-L266 VanDerWaalsContact C-N 3.29Å
267D59Low56.9Low106 Ų106115.3 Ų115.357%0.56760%0.603SS**G310 helixtrans-85.6-13.9179.4-79.2-36.2000113.9D265 K270D265-D267 PolarHBondContact O-N 3.41Å; D267-K270 WeakPolarHBondContact OD1-CE 3.35Å; D267-K270 IonicContact OD1-NZ 3.11Å; D267-K270 PolarHBondContact OD1-NZ 3.46Å
268K59.9Low55.8Low164 Ų164116.3 Ų116.371%0.71361%0.607SS**THydrogen-bonded Turntrans-86-20.7179.2-63.1-64.6-176.6179.20113D265D265-K268 PolarHBondContact O-N 3.5Å; D265-K268 VanDerWaalsContact O-N 3.09Å
269A53.7Low54.4Low57 Ų57122.9 Ų122.947%0.47163%0.632SS.*  trans-104.424.2-178.600000113.8D265 P271D265-A269 PolarHBondContact O-N 2.98Å; A269-P271 WeakPolarHBondContact O-CD 3.31Å
270K51.7Low53Low137 Ų137131.2 Ų131.260%0.59666%0.658SS**  trans-68.7109.3161.3-71.7168.6-170.3157.80106.2D267 T272D267-K270 WeakPolarHBondContact OD1-CE 3.35Å; D267-K270 IonicContact OD1-NZ 3.11Å; D267-K270 PolarHBondContact OD1-NZ 3.46Å; K270-T272 PolarHBondContact O-N 3Å
271P52.6Low51.5Low105 Ų105128.4 Ų128.468%0.68267%0.668SS**  trans-61.4107.5170.627-31.5000106A269 L273A269-P271 WeakPolarHBondContact O-CD 3.31Å; P271-L273 PolarHBondContact O-N 3.44Å
272T50.4Low50Low134 Ų134132.4 Ų132.482%0.82269%0.692SS**  trans-59.1107.9164.239.30000106.1K270K270-T272 PolarHBondContact O-N 3Å
273L47.7Very low48.2Very low132 Ų132130.8 Ų130.869%0.69171%0.708SS**  trans57.577.9155.7-150.6156.6000112.7P271 D275P271-L273 PolarHBondContact O-N 3.44Å; L273-D275 WeakPolarHBondContact CD2-OD1 3.48Å; L273-D275 PolarHBondContact O-N 3.3Å
274Q42.8Very low48Very low180 Ų180132 Ų13284%0.84172%0.716SS**  trans-74.3115.4149-90.2-172.920.100107.3C276Q274-C276 PolarHBondContact O-N 3.47Å
275D32.6Very low46.6Very low122 Ų122129 Ų12965%0.65273%0.725SS**  trans-47.5128.4-177.3-66.4-60.1000112.7L273 S277L273-D275 WeakPolarHBondContact CD2-OD1 3.48Å; L273-D275 PolarHBondContact O-N 3.3Å; D275-S277 PolarHBondContact O-N 3.42Å
276C32.5Very low45.1Very low142 Ų142138.6 Ų138.696%0.95976%0.758SS**  trans-65.778160.1-65.90000109.2Q274Q274-C276 PolarHBondContact O-N 3.47Å
277S51.9Low43.9Very low87 Ų87138.2 Ų138.261%0.60877%0.771SS**  trans-144.563.6168.3660000110.7D275D275-S277 PolarHBondContact O-N 3.42Å
278Q42Very low42.7Very low196 Ų196136.6 Ų136.692%0.91678%0.78SS**  trans-167.969.9151.6-104.6163.357.300109.7
279L37.7Very low41.8Very low181 Ų181133.7 Ų133.795%0.94878%0.78SS**  trans-132.868.2157.2-125.1167.1000106.8
280R38.1Very low41.4Very low241 Ų241141.4 Ų141.491%0.90980%0.797SS**  trans-152.8113166.3-174.1174.8-70.1-90.90.8109.4
281G36.3Very low40.8Very low67 Ų67145.3 Ų145.369%0.69181%0.808SS**  trans100.210614900000117.3
282E36Very low40Very low200 Ų200143.2 Ų143.294%0.93581%0.806SS**  trans80116.1139.9-70.8179.113900121.9
283G30.7Very low39.8Very low71 Ų71143.5 Ų143.573%0.73281%0.81SS**  91.9130.8121.800000118.4
284P57.4Low39.5Very low134 Ų134147 Ų14787%0.8781%0.814SS**  trans-93.1116.8177.134.3-26.5000111.6
285A34.3Very low39.3Very low95 Ų95142.5 Ų142.579%0.78580%0.802SS**  trans-165.5113.5159.600000114.4
286R38.4Very low39.7Very low243 Ų243144.7 Ų144.792%0.91781%0.808SS**  trans41.3127.4139.4-62.1-172-172.3-111.61.9122.4
287A35.5Very low39.9Very low108 Ų108149.5 Ų149.589%0.89381%0.806SS**  88.9133.6127.400000121.6
288G34.1Very low39.4Very low73 Ų73154.8 Ų154.875%0.75382%0.818SS**  trans110.386.2155.400000114.5
289S40.6Very low39.3Very low102 Ų102152.7 Ų152.771%0.71381%0.812SS**  66.9111.874.1-155.80000115.6
290R46.7Very low39.2Very low219 Ų219152.7 Ų152.783%0.82681%0.807SS**  trans72.7109.2146.9-64.5170.6-168.6-97.43.8120.1
291R38.2Very low39.3Very low219 Ų219146.7 Ų146.783%0.82680%0.8SS**  -171.7123.8115.2-111.9165.5-90.3-130.3-1.2112.4
292G37Very low40.1Very low62 Ų62148.9 Ų148.964%0.63980%0.802SS**PPolyproline II helixtrans-71.4166.9168.300000112.6
293P44.8Very low40.3Very low139 Ų139145.6 Ų145.690%0.90380%0.798SS**PPolyproline II helixtrans-78.3129.2-168.430.9-32000111.3
294R42.1Very low40.5Very low207 Ų207150.1 Ų150.178%0.78181%0.805SS**PPolyproline II helixtrans-93.4133.7177-122.4-179.3-85.6-175.2-10.2110.3
295S38.8Very low39.8Very low84 Ų84151.3 Ų151.359%0.58780%0.803SS**PPolyproline II helixtrans-53.3149.6178.3154.60000115.9
296H41.5Very low40.6Very low168 Ų168152.6 Ų152.678%0.77880%0.803SS**  trans54.5122.1144.815-100.2000122.1
297R35.9Very low40.4Very low244 Ų244148.6 Ų148.692%0.92180%0.8SS**  -164.8125.6124.5-115.1177.5170-154.9-3.5113.4
298K41.9Very low40.5Very low197 Ų197147 Ų14786%0.85779%0.794SS**  trans-62.1156.2158.8-68.9175.4173.2-177.60109.9
299L38.6Very low41.2Very low152 Ų152153.7 Ų153.780%0.79680%0.802SS**  trans179.7116.8132.7-86.2-173.3000111.6
300Q36.2Very low40.8Very low181 Ų181152.9 Ų152.985%0.84681%0.81SS**  trans43.3146.9147.2-65.7-172.6-11.800125.9
301P41.3Very low40.4Very low115 Ų115154.6 Ų154.675%0.74782%0.817SS**  trans-104.1-168.8162.441.6-31.1000112.4
302P51.3Low40.1Very low114 Ų114148 Ų14874%0.7482%0.818SS**  cis-122.3-170.3-46.136.1-16.5000112
303P39.9Very low40Very low131 Ų131149 Ų14985%0.85183%0.828SS**  -153.3176.2108.237.5-16.7000117.5
304L36.8Very low39.9Very low166 Ų166152 Ų15287%0.86983%0.83SS**  trans-81.3161.1-163.6-61158.1000116.8
305L41.6Very low39.5Very low158 Ų158146.7 Ų146.783%0.82783%0.83SS**  trans-1.3154.6161.6-68.7162000122.5
306P51.1Low39.3Very low122 Ų122148.2 Ų148.279%0.79284%0.84SS**  -137.7135.1106.735.2-21.2000113.3
307D35Very low39.2Very low160 Ų160151.4 Ų151.486%0.85685%0.846SS**  54.3128.396.5-160.627.5000116.9
308G37.7Very low40Very low75 Ų75144.9 Ų144.977%0.77384%0.835SS**  trans171.2106.4179.800000113.9
309K48.3Very low39.5Very low212 Ų212140.8 Ų140.892%0.92283%0.831SS**  trans-100.8146.3-172.2-147.9154.8178.9174.50109.9
310G32.3Very low39.5Very low85 Ų85139.8 Ų139.888%0.87683%0.831SS**  trans-173.5132.217300000115.8
311R38.7Very low39.7Very low255 Ų255135.4 Ų135.496%0.96283%0.826SS**  trans-103.2164-161.1-129.3178.8-176.1-93.23.3113.1
312G31.5Very low39.9Very low82 Ų82135.7 Ų135.785%0.84583%0.828SS**  trans110.6135.2147.300000115.7
313G34.5Very low39.1Very low83 Ų83134.5 Ų134.586%0.85683%0.827SS**  cis-171.2171.410.200000111.1
314Q43Very low39.2Very low201 Ų201134.7 Ų134.794%0.93983%0.827SS**  trans-107.4157.3-173.2-65.9-148-38.400114.2
315A34.3Very low39.4Very low95 Ų95130.8 Ų130.879%0.78583%0.826SS**  trans175.4111.4135.200000109.6
316S33.3Very low39.3Very low116 Ų116128.7 Ų128.781%0.81182%0.824SS**  61.795.187.9-150.10000114.4
317R40.6Very low39.1Very low235 Ų235132.7 Ų132.789%0.88783%0.83SS**  67159100.5-105.1-163.1172.6-164.3-1.2115.1
318P51.4Low39.6Very low107 Ų107130.3 Ų130.370%0.69583%0.832SS**  cis-139.3166.615.240.7-20.1000117
319S32.1Very low40.3Very low111 Ų111138.2 Ų138.278%0.77684%0.838SS**  110.5118.2114.8-143.60000109.4
320V39.5Very low40.1Very low132 Ų132131.6 Ų131.680%0.883%0.83SS**  -168.3141.664.6165.60000107.2
321A38.9Very low40.9Very low89 Ų89137.5 Ų137.574%0.73683%0.832SS**  trans-104.9157165.200000108.8
322P45.9Very low41.7Very low120 Ų120134.3 Ų134.378%0.77983%0.828SS**  -147.8160.481.935.9-17.2000116.7
323A35.5Very low42.8Very low89 Ų89140.6 Ų140.674%0.73683%0.826SS**  trans59.8127.4151.200000117.9
324T40.8Very low43.7Very low136 Ų136143.7 Ų143.783%0.83482%0.822SS**  -166.9140.253.943.20000111.8
325G41Very low44.2Very low83 Ų83140 Ų14086%0.85681%0.814SS**  trans76.2101.7131.800000119.8
326S39.5Very low45.1Very low114 Ų114139.9 Ų139.980%0.79782%0.821SS**  trans-71.5136.7167.751.50000113.7
327K47.9Very low45.8Very low207 Ų207144.3 Ų144.390%0.982%0.82SS**  trans-151.475.4148.7-73.3-160.3-179.7173.40111.6
328A45.3Very low45.9Very low109 Ų109137.3 Ų137.390%0.90181%0.813SS**  trans-96.591.8158.400000108.4
329R52.4Low45.9Very low241 Ų241143.5 Ų143.591%0.90982%0.822SS**  trans-112139164.3-64.7-89.5-159.6-141.22.2105.2
330G43.1Very low46.3Very low73 Ų73147.5 Ų147.575%0.75382%0.82SS**  cis-154.71467.500000109
331K49.5Very low46.4Very low209 Ų209153.2 Ų153.291%0.90983%0.827SS**  trans-99.6101.4175.3173.1158.3164177.30105.7
332E55.2Low46.5Very low188 Ų188155.3 Ų155.388%0.87983%0.827SS**  trans-138.361.2168.159.1-175.7-146.600110.4
333R54.9Low46.3Very low214 Ų214157.8 Ų157.881%0.80883%0.83SS**  trans-76.3128.9148.6-70.4175.761.290.7-1.1106.6
334L53.3Low46.6Very low148 Ų148162.5 Ų162.578%0.77583%0.833SS**  trans78.183.2156.1-50.4166.7000116.9
335T53.9Low46.6Very low125 Ų125163.3 Ų163.377%0.76783%0.828SS**  -132.2107.612827.50000107.6R337T335-R337 PolarHBondContact O-N 2.93Å
336G52.9Low46.6Very low91 Ų91167.5 Ų167.594%0.93883%0.831SS**  trans-66.471.1164.800000109.9
337R47.6Very low46.7Very low210 Ų210171.2 Ų171.279%0.79283%0.833SS**  trans-105105161.5-82.2-173.9179.3-123.8-0.5106.7T335 R339T335-R337 PolarHBondContact O-N 2.93Å; R337-R339 PolarHBondContact O-N 3.32Å
338A42.9Very low46.7Very low88 Ų88169 Ų16973%0.72783%0.825SS**  trans-42.3123.9164.700000109.3R340A338-R340 PolarHBondContact O-N 3.26Å
339R51.6Low46.5Very low236 Ų236172.9 Ų172.989%0.89183%0.825SS**  trans-63.9105.5161.4-69.6-178.1179.7-116.90.4105.5R337 W341R337-R339 PolarHBondContact O-N 3.32Å; R339-W341 PolarHBondContact O-N 2.99Å
340R40.7Very low45.8Very low195 Ų195170 Ų17074%0.73683%0.827SS**  trans-61.4125.8161.2-72.6-171.6-74.8-975.2106A338 D342A338-R340 PolarHBondContact O-N 3.26Å; R340-D342 VanDerWaalsContact C-N 3.29Å; R340-D342 PolarHBondContact O-N 3.11Å; R340-D342 VanDerWaalsContact O-N 3.09Å
341W41.9Very low45.5Very low252 Ų252175.4 Ų175.496%0.95583%0.832SS**  trans-6898.1159.9-7497.2000105.7R339R339-W341 PolarHBondContact O-N 2.99Å
342D40.8Very low44.9Very low134 Ų134171.3 Ų171.372%0.71783%0.83SS**  trans-82125.3168.7-98.6-45.7000108.3R340 K344R340-D342 VanDerWaalsContact C-N 3.29Å; R340-D342 PolarHBondContact O-N 3.11Å; R340-D342 VanDerWaalsContact O-N 3.09Å; D342-K344 PolarHBondContact O-N 2.71Å
343M41.8Very low43.9Very low172 Ų172171.5 Ų171.585%0.84783%0.831SS**  trans-82.590.5168.6-71.4-101.56800108
344K41Very low42.9Very low187 Ų187171 Ų17181%0.81384%0.837SS**  trans-164.9102166.6-144.492.3177.5-174.30110.5D342D342-K344 PolarHBondContact O-N 2.71Å
345E40.8Very low41.8Very low154 Ų154166.6 Ų166.672%0.7283%0.828SS**  trans17956.3135.1-101.8163.9-161.300110K347E345-K347 PolarHBondContact O-N 3.26Å
346D41.4Very low41Very low171 Ų171165.8 Ų165.891%0.91483%0.828SS**  trans-8566.2153.3-63.2-41.8000107.3
347K42.5Very low40.1Very low192 Ų192170 Ų17084%0.83582%0.823SS**SBendtrans-159.827.8172.1-147.5-173.6171.3-178.50114.6E345E345-K347 PolarHBondContact O-N 3.26Å
348E47.5Very low39.2Very low159 Ų159165.2 Ų165.274%0.74382%0.822SS**SBendtrans-145.656.1175.6-59.4-168.5-155.900111.2
349E40.8Very low38.6Very low191 Ų191167.6 Ų167.689%0.89383%0.828SS**SBendtrans-151.330.1165.2-144.8175.5-169.800113
350L38.2Very low37.6Very low181 Ų181167.3 Ų167.395%0.94883%0.827SS**SBendtrans-123.744.6174-72.3-179.2000112
351E36.2Very low37.2Very low187 Ų187166.8 Ų166.887%0.87483%0.832SS**SBendtrans-154.358.1170-159.5169.62400110.7
352S37.5Very low36.7Very low123 Ų123160.1 Ų160.186%0.8682%0.82SS**SBendtrans-164.295.1159.4-790000108.7
353Q34.6Very low36.8Very low191 Ų191159.9 Ų159.989%0.89383%0.826SS**  trans136.365.9151.1-158.6168.437.200111.6G355Q353-G355 PolarHBondContact O-N 2.76Å
354E33.9Very low36Very low203 Ų203157.3 Ų157.395%0.94983%0.825SS**  trans-63.2120.1152.4-164.8173.9-178.300108.1
355G29.1Very low35.9Very low57 Ų57157.2 Ų157.259%0.58883%0.827SS**  trans161.956.9-179.100000115Q353Q353-G355 PolarHBondContact O-N 2.76Å
356S37.8Very low35.5Very low108 Ų108159 Ų15976%0.75584%0.835SS**  trans58.6136.4140.1-55.60000119.5
357Q34Very low35.1Very low178 Ų178158.9 Ų158.983%0.83283%0.829SS**  cis-168.3125.38-101.7163-18.900104.2
358S28.9Very low34.5Very low111 Ų111158.5 Ų158.578%0.77683%0.83SS**  55.199.297.3-170.10000115.7
359T30.5Very low33.8Very low138 Ų138154.8 Ų154.885%0.84783%0.827SS**  -161.2106.7125.243.80000108.4
360R30.6Very low33.4Very low230 Ų230153.5 Ų153.587%0.86882%0.821SS**  trans-118.2104.8165.8-173.6-177.7-176176.10.9105.9
361E31.8Very low33.3Very low183 Ų183153.4 Ų153.486%0.85581%0.813SS**  trans-93.1131.5169.9-72.4-89.5133.400108
362T30Very low33.1Very low112 Ų112152.5 Ų152.569%0.68781%0.809SS**  trans-135.2157.7165.137.80000107.7
363P43Very low33Very low130 Ų130152.9 Ų152.984%0.84481%0.811SS**  -90.1154.6-129.736.7-36.3000113.5
364S26.5Very low32.7Very low118 Ų118147.4 Ų147.483%0.82581%0.806SS**  trans-119.3121167.4-166.90000109.3
365E37.5Very low32.9Very low185 Ų185146.5 Ų146.586%0.86480%0.804SS**  trans-68.5131.1152.5-68.2168133.300107.6
366E32.7Very low33.1Very low191 Ų191151.9 Ų151.989%0.89381%0.814SS**  -175149.8123.1-133.5178.6157.600110.8
367E34.4Very low32.9Very low168 Ų168154.9 Ų154.979%0.78582%0.816SS**  trans-75.3147.2-170.7-169.5-176135.900112.9
368Q29.8Very low32.6Very low184 Ų184150.4 Ų150.486%0.8682%0.817SS**  trans-179.8102.4136.9-97.4163.954.900113.7
369A32Very low32.7Very low82 Ų82156 Ų15668%0.67882%0.822SS**  38.2120.7127.200000122
370Q32.9Very low33Very low163 Ų163157.9 Ų157.976%0.76283%0.825SS**  81.6111.8115.9-165.6178.4-33.300120.2
371K34.8Very low32.8Very low179 Ų179150.1 Ų150.178%0.77882%0.817SS**  171.1110.2126.9-90.4160.6-170.7-175.50108.7
372Q33.5Very low32.7Very low168 Ų168147.6 Ų147.679%0.78582%0.82SS**  74.5131.583.7-80.2-164.3-43.400115.9
373S34.8Very low32.8Very low131 Ų131147 Ų14792%0.91683%0.826SS**  trans84.3137.816379.10000117.1
374G28.7Very low33Very low76 Ų76146.7 Ų146.778%0.78482%0.824SS**  cis-156.4158.512.100000112.6
375M38.1Very low33Very low185 Ų185146 Ų14691%0.91183%0.826SS**  trans-94.8157.2-173.9-56.9165.47100111.9
376E32Very low32.4Very low169 Ų169142.3 Ų142.379%0.7983%0.826SS**  trans-176.2152.8136.2-104.7-153.3117.400108.4
377Q34.8Very low32.5Very low172 Ų172138.8 Ų138.880%0.80482%0.823SS**  cis-173.3147.3-28.8-120.1-17961.800104.1
378G27.1Very low33.4Very low83 Ų83136.6 Ų136.686%0.85682%0.824SS**  trans176.178.7175.800000112.9
379R32Very low33.2Very low230 Ų230132 Ų13287%0.86882%0.817SS**  trans-102.1131.5179.3164.5-167.3-99-93.62.8110.2
380L35.1Very low33Very low176 Ų176136.6 Ų136.692%0.92183%0.829SS**  trans-153.9114.8145.5-69.9-178.5000105.7
381G28Very low32.8Very low67 Ų67133.6 Ų133.669%0.69183%0.832SS**  80.6125.780.300000109.9
382S29.5Very low32.6Very low131 Ų131130.6 Ų130.692%0.91683%0.834SS**  cis-166.1172.124.4-73.30000110.9
383A32Very low33.7Very low98 Ų98128.1 Ų128.181%0.8183%0.833SS**  trans-72.2178-170.500000117
384P46.1Very low33.3Very low124 Ų124131 Ų13181%0.80583%0.832SS**  trans-99.2160.2-174.238.1-29.4000114.7
385A27.5Very low33.4Very low105 Ų105130.9 Ų130.987%0.86883%0.83SS**  trans143.4127.2145.300000113.8
386A25.3Very low33.9Very low106 Ų106127.9 Ų127.988%0.87682%0.824SS**  trans-172.8121.4147.300000111.2
387S34.8Very low33.9Very low117 Ų117130 Ų13082%0.81883%0.831SS**  trans-83.4167.6164.4-46.40000110.6
388P53.3Low33.8Very low123 Ų123124.8 Ų124.880%0.79982%0.823SS**  -148143.180.632.9-11.1000114.5
389A24.3Very low34.2Very low88 Ų88129.6 Ų129.673%0.72782%0.823SS**  90.8133.284.900000117
390L29.5Very low34.3Very low177 Ų177124 Ų12493%0.92782%0.82SS**  trans80.4110.7154.7-71.1158.2000121.1
391A27.9Very low34.3Very low100 Ų100122.7 Ų122.783%0.82682%0.818SS**  -177.5120.7109.600000112.1
392S31.2Very low34.4Very low116 Ų116123.3 Ų123.381%0.81182%0.817SS**  trans-91.1159155.3-80.70000109.7
393P55.3Low34.6Very low117 Ų117122.1 Ų122.176%0.7681%0.809SS**  -132.9134.7107.924.4-6.7000111
394E27.1Very low34.5Very low192 Ų192123.9 Ų123.990%0.89781%0.809SS**  83.8123.884.6-151.6151.2160.800112.3
395G30Very low33.7Very low72 Ų72123.2 Ų123.274%0.74281%0.814SS**  trans-86-138.5-158.800000115.7
396P50.1Low33.9Very low122 Ų122123.3 Ų123.379%0.79281%0.808SS**  cis-137.3178.6-9.639.3-20.2000115.5
397K31Very low34.2Very low215 Ų215123.6 Ų123.694%0.93580%0.804SS**  trans60.5120.9147-103.5177.4174.91790121.2
398G32.2Very low33.9Very low62 Ų62124.7 Ų124.764%0.63981%0.806SS**  trans165.588.3148.600000117.5
399E35.5Very low33.2Very low184 Ų184124.5 Ų124.586%0.8680%0.804SS**  trans67113.6135.1-20.8-169.5-174.500122
400S35.8Very low33.3Very low113 Ų113126.1 Ų126.179%0.7981%0.809SS**  trans54.4126.3135.4-49.60000119.2
401V34Very low33.3Very low148 Ų148123 Ų12390%0.89780%0.802SS**  -162.8149.451.7169.50000108.8
402A29.7Very low34Very low79 Ų79124.8 Ų124.865%0.65381%0.805SS**  trans-82.2158.7-170.700000116.1
403S33.6Very low34Very low107 Ų107128.3 Ų128.375%0.74881%0.809SS**  trans68.7136.8143-66.50000117.3
404T29.5Very low32.8Very low135 Ų135130.5 Ų130.583%0.82881%0.809SS**  cis-171.5136.324.1220000106.6
405A30.3Very low33.6Very low110 Ų110127.3 Ų127.391%0.90981%0.805SS**  trans-137.7114.1162.600000108
406S30.5Very low33.8Very low106 Ų106130.4 Ų130.474%0.74180%0.804SS**  trans-141.5117.6178-176.40000110.4
407S32.9Very low33.3Very low113 Ų113132.6 Ų132.679%0.7981%0.808SS**  trans69.3115.4133.7-440000120.9
408V29.1Very low33.6Very low140 Ų140126.5 Ų126.585%0.84880%0.798SS**  trans-73.2143.2158.2174.20000109.7
409P38.7Very low34.7Very low118 Ų118129 Ų12977%0.76680%0.803SS**  trans-100.7147.4-176.337.1-29.9000112.5
410C24.6Very low34.6Very low123 Ų123129 Ų12983%0.83181%0.808SS**  trans-174.9120.9136.3-153.50000112.1
411S31.4Very low34.6Very low110 Ų110129.9 Ų129.977%0.76980%0.804SS**  trans152.9136137-67.20000111.5
412P42.5Very low34.9Very low138 Ų138129.5 Ų129.590%0.89680%0.796SS**  trans-127.1164.7144.626.8-8.6000113
413Q30.1Very low35.4Very low190 Ų190130.6 Ų130.689%0.88880%0.799SS**  trans-105.7144.1-149.9-170.8175.316.100112.3
414E31.3Very low35.6Very low163 Ų163133.9 Ų133.976%0.76281%0.807SS**  trans-94.8153.4166.3-97.6-92.1144.500110.4
415P42.9Very low35.7Very low125 Ų125131.4 Ų131.481%0.81281%0.809SS**  trans-138134.7137.334.5-19.7000114.7
416D33.4Very low36Very low137 Ų137130.1 Ų130.173%0.73381%0.806SS**  trans-101.8146.7177.6-170.414.5000111.7
417L40.1Very low36.1Very low168 Ų168130.4 Ų130.488%0.8882%0.815SS**  trans-130.5123.4168.8-71.8179.8000108.8
418A38.3Very low36Very low88 Ų88128.7 Ų128.773%0.72782%0.815SS**  trans-78-157.1-176.400000114.3
419P53.7Low36.5Very low113 Ų113129.9 Ų129.973%0.73482%0.815SS**  -130.1169.1-58.430.9-14000112.9
420L33.3Very low37.1Very low184 Ų184129.9 Ų129.996%0.96382%0.815SS**  trans-166.1164.1151.2-85.7-163000113.6
421D36.4Very low37.4Very low133 Ų133127.1 Ų127.171%0.71181%0.808SS**  trans-130.1161.1-138.9-166.622.3000115.3
422L40.8Very low38.1Very low139 Ų139127.8 Ų127.873%0.72881%0.81SS**  trans36.7137.4166.5-47.7-177.7000125.5
423S39.8Very low37.5Very low102 Ų102131.2 Ų131.271%0.71381%0.805SS**  174.8125.699.9-80.70000117.7
424L38Very low37.9Very low176 Ų176129.1 Ų129.192%0.92180%0.795SS**  trans62.1127.1130.2-58.9170.8000124.3
425G31.4Very low38Very low84 Ų84126.6 Ų126.687%0.86680%0.795SS**  trans127.9109.313100000117.5
426G36.3Very low37.3Very low83 Ų83126.9 Ų126.986%0.85680%0.795SS**  trans-117.1162.2175.700000115.2
427A34.2Very low37Very low112 Ų112125.7 Ų125.793%0.92680%0.796SS**  trans146.8140.5160.200000106.9
428G30.7Very low36.4Very low77 Ų77123.4 Ų123.479%0.79479%0.789SS**  cis146.9123.820.300000106.6
429I38Very low36.2Very low165 Ų165126.9 Ų126.985%0.84679%0.794SS**  trans-59.6153.3-176.5-59.5165.4000110.9
430P51.5Low35.1Very low117 Ų117126.6 Ų126.676%0.7680%0.795SS**  -155.3167.757.139.9-15.8000120.3
431G30.9Very low34.9Very low66 Ų66126.4 Ų126.468%0.6879%0.794SS**  trans-75.7-164.7158.200000111.7
432P47.6Very low34.6Very low124 Ų124130.9 Ų130.981%0.80580%0.801SS**  cis-132.8168.9-3.740.7-24.2000114.3
433R29.6Very low34.9Very low210 Ų210129.7 Ų129.779%0.79280%0.802SS**  trans164.2145.1138.9-100.2178.9162.6-80.2-5.4115.4
434E38Very low34.2Very low145 Ų145128.3 Ų128.368%0.67880%0.803SS**  trans-31.4143.7163.7-58.4139.3-158.700118.4
435S32.8Very low33.8Very low110 Ų110124.4 Ų124.477%0.76980%0.796SS**  147.7143.5110.768.50000115.8
436T27.7Very low33.7Very low132 Ų132128.2 Ų128.281%0.8179%0.791SS**  trans91.4131.9146.1-22.90000120.2
437C26.9Very low33.4Very low112 Ų112131.8 Ų131.876%0.75779%0.786SS**  trans-86.9-178.9-167.2-540000114.5
438V29.4Very low33.2Very low120 Ų120131.6 Ų131.673%0.72778%0.778SS**  trans87.8107.2148.9-135.40000117.7
439L32.8Very low34.1Very low161 Ų161133.3 Ų133.384%0.84378%0.775SS**  173.1136.189.6-89.4172000111.7
440S29.9Very low33.6Very low106 Ų106131.7 Ų131.774%0.74177%0.772SS**  trans-65.8147.6174.8-34.80000113.3
441L30.1Very low32.5Very low181 Ų181130.9 Ų130.995%0.94877%0.77SS**  trans-154.2111.3142.1-77.5-176.9000110.8
442R30.5Very low32.3Very low226 Ų226138.7 Ų138.785%0.85378%0.779SS**  trans-97.7169.6145.3-133.5-149.7167.2-173.9-1.1105.5
443P45.8Very low32.3Very low115 Ų115138.4 Ų138.475%0.74778%0.777SS**  cis-151.6176.525.738.4-14.5000119.2
444G26.1Very low32.1Very low72 Ų72136.8 Ų136.874%0.74278%0.778SS**  trans95.8153.5147.700000117
445A30.6Very low31.6Very low94 Ų94133.5 Ų133.578%0.77778%0.783SS**  cis-176.3166-16.900000106.5
446Q28.5Very low31.7Very low164 Ų164133.7 Ų133.777%0.76678%0.784SS**  trans74.9144.1173.5-72.4-160.4-9.800117.4
447E30.1Very low32Very low159 Ų159135.3 Ų135.374%0.74378%0.783SS**  cis-163.7159.37.7-116.1168.4-175.300108.3
448S28.6Very low32.2Very low108 Ų108138.9 Ų138.976%0.75579%0.788SS**  trans-107155.8173-175.60000108.9
449P49.6Very low32.3Very low112 Ų112141.8 Ų141.873%0.72779%0.794SS**  -157.4161.890.537.8-15.9000118.8
450V27.9Very low33Very low131 Ų131139.1 Ų139.179%0.79479%0.786SS**  trans76.4137.9138.9159.40000117.9
451S29.9Very low33Very low101 Ų101141.9 Ų141.971%0.70679%0.792SS**  cis-169.1161.12.3-85.90000111.6
452W26.7Very low32.8Very low230 Ų230137 Ų13787%0.87179%0.785SS**  trans-76.9166.5167.9-7488.8000113.6
453P46Very low32.7Very low117 Ų117137.1 Ų137.176%0.7679%0.785SS**  -140.7149.691.832.4-13.8000113
454E25.5Very low32.3Very low177 Ų177139.7 Ų139.783%0.82779%0.793SS**  65.6120.659.8-156.279.4-135.200114.6
455G29Very low32.6Very low75 Ų75141.9 Ų141.977%0.77379%0.788SS**  trans138.3110.9154.800000119.1
456S34.9Very low32.9Very low115 Ų115146.3 Ų146.380%0.80479%0.792SS**  trans-70.1167.7-176.3-53.40000119
457E33.5Very low33.1Very low165 Ų165146.5 Ų146.577%0.77179%0.793SS**  135.3123128.6-69.7-164.5155.300115.1
458Q32Very low33.3Very low187 Ų187144 Ų14487%0.87479%0.788SS**  156.8109.5128.8-81.2151.135.500113.4
459Q30.3Very low33.3Very low182 Ų182147 Ų14785%0.8579%0.79SS**  trans-86.3166.8143.3-122.1-168.9-31.100107.2
460P47.8Very low32.6Very low104 Ų104148.6 Ų148.668%0.67579%0.792SS**  cis-156.2-174.843.941-17000118.2
461L30.1Very low32.6Very low165 Ų165149.2 Ų149.286%0.86479%0.786SS**  trans91.9118150.5-104.677.5000121.2
462G26Very low32.9Very low77 Ų77150.7 Ų150.779%0.79479%0.791SS**  trans17261.1163.600000112.6
463W28.7Very low33Very low230 Ų230147.8 Ų147.887%0.87179%0.787SS**  trans-74144.5169.7-75.9-29.2000111.5
464N36.3Very low32.2Very low168 Ų168148.5 Ų148.590%0.89879%0.789SS**  -160.4129.5115.6-87.4-50.6000111.4
465D33Very low32.6Very low119 Ų119145.4 Ų145.464%0.63679%0.786SS**  trans-76.2155.6172-76-53000113.1
466H37.4Very low33.3Very low186 Ų186147.8 Ų147.886%0.86179%0.788SS**  -150.2106.4124-67.7-58.7000106.3
467Q31.7Very low33.2Very low169 Ų169149.5 Ų149.579%0.7978%0.783SS**  53.3131.688-81.6-160.911.800113.6
468T35.4Very low33.8Very low105 Ų105147.7 Ų147.764%0.64479%0.786SS**  cis-173.6143.56.2-63.30000103.7
469E28.2Very low33.7Very low171 Ų171145.3 Ų145.380%0.79977%0.774SS**  163.7117.782-149.2163156.300104.8
470L34.5Very low33.9Very low146 Ų146147.4 Ų147.476%0.76477%0.774SS**  40130101.4-126.272.4000113.6
471E27.9Very low33Very low145 Ų145145.7 Ų145.768%0.67878%0.776SS**  cis-176.7149.446.9-160.6167.2-140.200110.2
472V36.6Very low33.2Very low132 Ų132143.2 Ų143.280%0.878%0.779SS**  trans-84128172.91710000108.9
473Q28.6Very low33.2Very low169 Ų169143.2 Ų143.279%0.7978%0.779SS**  trans-133.5122164.3-82.7-179.221.500112.6
474T29.2Very low33.4Very low131 Ų131140.1 Ų140.180%0.80478%0.779SS**  trans-67.5153.3173.5-570000112.1
475C34.3Very low33.7Very low113 Ų113137.7 Ų137.776%0.76477%0.773SS**  trans-48.7171.4-173.9-48.60000117.8
476P42.7Very low33.9Very low125 Ų125139.7 Ų139.781%0.81278%0.778SS**  -145152.111035.6-19.2000117.5
477E33.4Very low34.5Very low151 Ų151135.7 Ų135.771%0.70677%0.768SS**  trans-53.6155.4154.6177.7-179.7162.900112.8
478P45.2Very low34.4Very low127 Ų127138 Ų13883%0.82577%0.77SS**  trans-126.3135.4149.833.9-20.9000113
479Q31.4Very low34.8Very low136 Ų136142 Ų14264%0.63678%0.781SS**  trans-104.3141.3173.6-150-170.596.700110.4
480R34Very low35Very low226 Ų226141.4 Ų141.485%0.85378%0.783SS**  trans91125.3143.4-161.9179.1-79.8-1111.7119.4
481G28.5Very low35.1Very low69 Ų69145.2 Ų145.271%0.71179%0.788SS**  trans154.686.7148.100000117.7
482A34Very low35.6Very low113 Ų113144.4 Ų144.493%0.93480%0.798SS**  trans35.1130.4145.700000122.7
483G26.5Very low35.4Very low77 Ų77141.3 Ų141.379%0.79479%0.793SS**  trans143.8104.2146.500000116.1
484L32.4Very low36Very low164 Ų164143.3 Ų143.386%0.85980%0.799SS**  trans-72.8136.5153.3-178.761.5000107
485P42.4Very low36.2Very low118 Ų118142 Ų14277%0.76680%0.801SS**  -153.51508342.9-22.3000117.9
486E37.8Very low36.1Very low161 Ų161140.6 Ų140.675%0.75281%0.806SS**  trans-52.9161.8145.4-77.7-80.8161.800109.5
487P49.8Very low36.1Very low101 Ų101139.1 Ų139.166%0.65680%0.804SS**  cis-144.9-18024.629.2-3.3000114.2
488R30.1Very low36.5Very low219 Ų219139.3 Ų139.383%0.82681%0.805SS**  159.2126.6117.8-88.5-175.8175.5-115.9-0.5112.9
489E43.3Very low36Very low187 Ų187141.7 Ų141.787%0.87481%0.805SS**  trans-56.4133.4154.3-62.3162127.400109.7
490D33.2Very low36.1Very low159 Ų159138.5 Ų138.585%0.8581%0.809SS**  trans-136134.3152.7-109.5-28.8000111.8
491R36.3Very low36.3Very low227 Ų227136.3 Ų136.386%0.85781%0.813SS**  trans-80.9167.7-174.5-75.7178.6172.9-161.4-0.9111.8
492S38.3Very low36.5Very low127 Ų127137.2 Ų137.289%0.88881%0.814SS**  trans84.4147.4144.481.80000116.5
493G31.3Very low36.7Very low67 Ų67140.7 Ų140.769%0.69182%0.816SS**  cis-146.2148.87.500000110.4
494K42.5Very low37.2Very low212 Ų212148 Ų14892%0.92282%0.82SS**  78.3110.889.6-120.3179.4-173.9-179.60115
495A33.8Very low37.5Very low103 Ų103145.2 Ų145.285%0.85181%0.813SS**  trans75.9112.9140.100000120.4
496G32.1Very low37.5Very low84 Ų84150.6 Ų150.687%0.86682%0.818SS**  trans-153.699.115100000108.5
497A41.8Very low38.2Very low93 Ų93148.7 Ų148.777%0.76982%0.82SS**  trans-90.1143.717000000109.1
498Q40.8Very low38.7Very low155 Ų155149.2 Ų149.272%0.72482%0.823SS**  156.2122129-72.2-108.524.500110.5
499Q36.3Very low39Very low178 Ų178151 Ų15183%0.83283%0.83SS**  trans61.7130.2145.2-53.1178.947.800117.7
500G33.1Very low38.6Very low69 Ų69145.8 Ų145.871%0.71183%0.827SS**  cis146.6139.320.200000105.6
501L37.5Very low39Very low179 Ų179142.2 Ų142.294%0.93783%0.828SS**  trans163.1104.1148.5-84.5173.8000111.5
502A32.7Very low38.8Very low89 Ų89137.4 Ų137.474%0.73683%0.829SS**  trans19.5124150.300000122.4
503L38.8Very low39Very low185 Ų185141.1 Ų141.197%0.96983%0.832SS**  trans-122.5127.2139.8-80172.5000109.8
504R36.7Very low39.4Very low232 Ų232141.4 Ų141.488%0.87584%0.835SS**  trans-83.1128.9-173.4-82.4-171.7159-121.9-0.2112.7
505S38.4Very low39.8Very low104 Ų104136.9 Ų136.973%0.72783%0.827SS**  trans48.6120.5136.862.90000122
506R42.4Very low40Very low231 Ų231143.5 Ų143.587%0.87283%0.83SS**  trans-84.6163.5148-135.1178.9-170.6-174.33.3109.9
507P52.3Low40.2Very low121 Ų121143 Ų14379%0.78683%0.825SS**  -148.4174.910535.6-16.8000116.1
508P61.1Low40Very low112 Ų112145.1 Ų145.173%0.72783%0.828SS**  trans-113.7164.8-165.839.9-27.5000115.4
509R36.6Very low39.8Very low257 Ų257142.9 Ų142.997%0.9784%0.836SS**  trans-155.3146160.3-92.5-175.1-172-147.60.6107.2
510G34.1Very low39.7Very low78 Ų78137.8 Ų137.880%0.80483%0.832SS**  cis172.4140.9500000106
511G41.3Very low39.8Very low84 Ų84143.5 Ų143.587%0.86684%0.842SS**  trans-85.9164.7-177.700000113.6
512S33.7Very low40.1Very low126 Ų126145.4 Ų145.488%0.88184%0.837SS**  trans-143.9134.7152.660.80000109.5
513Q42.2Very low40.3Very low205 Ų205153.1 Ų153.196%0.95885%0.847SS**  trans-101150.5173.4-67.5-164.243.300109.6
514G38.3Very low40.8Very low73 Ų73155.2 Ų155.275%0.75384%0.842SS**  trans-179.7147.2162.100000112.6
515P51Low41Very low117 Ų117151.3 Ų151.376%0.7684%0.844SS**  -121.5166.3-126.639.2-27.8000117.1
516R38.1Very low41Very low242 Ų242149.6 Ų149.691%0.91384%0.843SS**  trans49.5117.2147-102.6178.2-94.3-124.5-2.4120.1
517G36.3Very low41Very low74 Ų74150.1 Ų150.176%0.76385%0.845SS**  trans-105.5147.2157.700000112.3
518T39.5Very low41.1Very low136 Ų136150.1 Ų150.183%0.83485%0.845SS**  trans-148130.5166360000110.8
519A34.6Very low40.3Very low108 Ų108147.7 Ų147.789%0.89384%0.84SS**  trans59133.2159.500000118.1
520G35Very low41.2Very low72 Ų72141.9 Ų141.974%0.74284%0.836SS**  cis114.8101.918.800000110
521M34.6Very low41.7Very low188 Ų188143.1 Ų143.193%0.92684%0.839SS**  trans-177.4140.8135.7-145.851.3115.200113.3
522R43.6Very low41.7Very low219 Ų219142.8 Ų142.883%0.82684%0.835SS**  trans-67.9156.4177.4-54.7174.4-173-99.84.2112.5
523R38.2Very low42.2Very low251 Ų251148.3 Ų148.395%0.94784%0.837SS**  -150.3139.1124.3-73.8-151.7-178.8-102.1-3.7112.6
524R49Very low42.2Very low229 Ų229148.5 Ų148.586%0.86486%0.858SS**  trans-76.2147.9169.4-65.2175.5171.9-168.3-2.5109.9
525T41.2Very low42.4Very low150 Ų150152.3 Ų152.392%0.9286%0.863SS**  trans171137.8147.635.60000104.5
526G37.2Very low41.9Very low68 Ų68154.1 Ų154.170%0.70187%0.869SS**  cis143.2112.524.500000103.2P528G526-P528 WeakPolarHBondContact O-CD 3.46Å
527R43.8Very low42.2Very low242 Ų242149.2 Ų149.291%0.91387%0.866SS**PPolyproline II helixtrans-71.7127.8-174.6-165-178.7-167.1-117.74.9109.5
528P53.1Low42.5Very low122 Ų122153.6 Ų153.679%0.79287%0.872SS**PPolyproline II helixtrans-83.7125.5167.6-8.526.3000110G526G526-P528 WeakPolarHBondContact O-CD 3.46Å
529G45.6Very low42.7Very low60 Ų60154.8 Ų154.862%0.61988%0.875SS**PPolyproline II helixtrans-77.3167.7166.200000111.8A531G529-A531 PolarHBondContact O-N 3.02Å
530P55.4Low43.2Very low136 Ų136157.9 Ų157.988%0.88387%0.873SS**PPolyproline II helixtrans-75.4126.2-175.930.1-31.8000111
531A44.8Very low43.8Very low104 Ų104164 Ų16486%0.8688%0.883SS**PPolyproline II helixtrans-76.1133.9172.500000110.2G529G529-A531 PolarHBondContact O-N 3.02Å
532G40.8Very low44.5Very low76 Ų76162.2 Ų162.278%0.78488%0.879SS**PPolyproline II helixtrans-73.6168.317900000113.7
533R43.1Very low44.6Very low243 Ų243157.4 Ų157.492%0.91788%0.884SS**PPolyproline II helixtrans-55.2137.3171.3-59.7170.4-174.4-900.1111.3
534C43Very low45.2Very low208 Ų208148.9 Ų148.9100%1.40588%0.878SS**  trans-1340138-77.50000106.5

Retrieved 534 of 534 residues in 130.7 ms (Link to these results)