A0A3B3CQL4_ORYME Loading...

Paired box 7a

AlphaFold DB , UniProt , Accession A0A3B3CQL4, Species ORYME (Oryzias melastigma, Marine medaka), Gene n/a, Length 508 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
1M42.3Very low43.7Very low234 Ų234147.8 Ų147.8100%1.15385%0.848SS**  01180-64.5168.4-175.700105.5
2M37Very low43.1Very low183 Ų183151.3 Ų151.390%0.90186%0.855SS**  61.1126.772.3-69.7-74.6-170.300112.2
3A40.5Very low43.2Very low85 Ų85148.6 Ų148.670%0.70284%0.844SS**  cis-164.1145.7-19.300000108.5
4T43.6Very low43.3Very low144 Ų144154 Ų15488%0.88384%0.844SS**  trans-107.5118.3176.2-29.10000110.6
5L50.3Low43Very low162 Ų162151.2 Ų151.285%0.84884%0.836SS**  trans-73.3152169.2-62.4171.5000109.7
6P47.3Very low43.1Very low132 Ų132147.3 Ų147.386%0.85783%0.829SS**  -147.8176.191.739.5-23.8000115.1
7G38.3Very low43.2Very low68 Ų68146 Ų14670%0.70183%0.829SS**  trans112.343.4148.400000119.5V9G7-V9 PolarHBondContact O-N 3.29Å
8T44.8Very low43.2Very low150 Ų150141.9 Ų141.992%0.9282%0.824SS**  trans-69.3119.9167.8-52.70000111.1
9V47.2Very low42.9Very low126 Ų126143.3 Ų143.376%0.76482%0.822SS**  trans-128.9139.2171.3-172.20000109.4G7G7-V9 PolarHBondContact O-N 3.29Å
10P44.6Very low42.5Very low114 Ų114143.2 Ų143.274%0.7482%0.819SS**  trans-74.9144.3-158.1-21.535.5000116.9M12P10-M12 PolarHBondContact O-N 3.49Å; P10-M12 VanDerWaalsContact O-N 3.12Å
11R44.9Very low42.2Very low228 Ų228147 Ų14786%0.8682%0.821SS**  trans-62.2101.1168.6179.4-173-171.7174.73.3111V13R11-V13 PolarHBondContact O-N 3.36Å; R11-V13 VanDerWaalsContact O-N 3.12Å
12M36.7Very low42Very low189 Ų189140.8 Ų140.893%0.93180%0.798SS**  trans-66.4110.5172.9-74.3-175.569.700111.1P10P10-M12 PolarHBondContact O-N 3.49Å; P10-M12 VanDerWaalsContact O-N 3.12Å
13V44.2Very low42.1Very low117 Ų117142 Ų14271%0.70979%0.793SS**PPolyproline II helixtrans-86.8142.4171.8177.10000109.8R11 P15R11-V13 PolarHBondContact O-N 3.36Å; R11-V13 VanDerWaalsContact O-N 3.12Å; V13-P15 WeakPolarHBondContact O-CD 3.32Å
14R44.1Very low42.2Very low224 Ų224143.7 Ų143.785%0.84580%0.795SS**PPolyproline II helixtrans-59.3127.4-178.2178.9-167.7-166.2-179.96.8113.5
15P39.6Very low41.9Very low112 Ų112138.7 Ų138.773%0.72777%0.772SS**PPolyproline II helixtrans-89.4142.2152.5-0.720.8000110.4V13V13-P15 WeakPolarHBondContact O-CD 3.32Å
16A44.3Very low41.2Very low88 Ų88140.3 Ų140.373%0.72777%0.773SS**  trans-111.1138.2150.300000107.1
17P45Very low41Very low126 Ų126138.5 Ų138.582%0.81876%0.761SS**  -131.9150.3123.336.2-28.7000111.3
18G43.5Very low41.1Very low72 Ų72142.9 Ų142.974%0.74277%0.767SS**  trans-86.6146.2170.800000111.3
19Q36.6Very low41Very low169 Ų169142.6 Ų142.679%0.7976%0.755SS**  trans-138.4159.5149-96.9-53.8-14.900111.6
20N35.1Very low40.8Very low141 Ų141141.3 Ų141.375%0.75475%0.747SS**PPolyproline II helixtrans-73.2131.1-170.9-70.2-92.4000112
21Y36.6Very low40.5Very low223 Ų223140.8 Ų140.888%0.87575%0.746SS**PPolyproline II helixtrans-96.6124152.1-82.4-88.4000108.3R23Y21-R23 PolarHBondContact O-N 3.44Å
22P37.3Very low40.8Very low103 Ų103133.2 Ų133.267%0.66973%0.726SS**PPolyproline II helixtrans-66.8117.4-178.726.6-33.5000109.8T24P22-T24 HydrophobicContact CB-CG2 4.45Å; P22-T24 PolarHBondContact O-N 3.12Å
23R39.4Very low41.2Very low209 Ų209129.7 Ų129.779%0.78972%0.717SS**  trans-76.568.8-178.1-167.6-162.2-176.6-79.53.4111.3Y21 G25Y21-R23 PolarHBondContact O-N 3.44Å; R23-G25 PolarHBondContact NH1-O 3.43Å; R23-G25 PolarHBondContact O-N 3.4Å
24T43.5Very low41.4Very low121 Ų121130.5 Ų130.574%0.74272%0.716SS**  trans-70.631.2176.754.80000114P22 F26P22-T24 HydrophobicContact CB-CG2 4.45Å; P22-T24 PolarHBondContact O-N 3.12Å; T24-F26 PolarHBondContact O-N 2.69Å
25G35.9Very low41.9Very low39 Ų39124 Ų12440%0.40272%0.719SS.*  trans-86.586.7163.800000109.3R23 P27R23-G25 PolarHBondContact NH1-O 3.43Å; R23-G25 PolarHBondContact O-N 3.4Å; G25-P27 WeakPolarHBondContact O-CD 3.29Å; G25-P27 VanDerWaalsContact O-N 3.15Å
26F35.8Very low43.2Very low196 Ų196124.6 Ų124.686%0.8671%0.712SS**  trans-47.2118.9167.2-77.3-88.2000108.9T24 L28T24-F26 PolarHBondContact O-N 2.69Å; F26-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact O-N 3.17Å
27P43.3Very low44.7Very low94 Ų94122.1 Ų122.161%0.6170%0.695SS**  trans-67.3115.11624.810.2000105.7G25 E29G25-P27 WeakPolarHBondContact O-CD 3.29Å; G25-P27 VanDerWaalsContact O-N 3.15Å; P27-E29 HydrophobicContact CB-CG 4.39Å; P27-E29 PolarHBondContact O-N 3.49Å
28L40.9Very low46.7Very low159 Ų159123.6 Ų123.683%0.83269%0.685SS**  trans-71.980.7164.2-163.481.1000106.7F26 V30F26-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact O-N 3.17Å; L28-V30 PolarHBondContact O-N 3.48Å
29E42Very low48.9Very low145 Ų145125 Ų12568%0.67868%0.679SS**  trans-60.887.9171.6-83.4-60.4123.700108.3P27 S31P27-E29 HydrophobicContact CB-CG 4.39Å; P27-E29 PolarHBondContact O-N 3.49Å; E29-S31 PolarHBondContact O-N 2.92Å
30V43Very low51.5Low98 Ų98118.7 Ų118.759%0.59465%0.65SS**  trans-67.283157165.20000105.4L28 T32L28-V30 PolarHBondContact O-N 3.48Å; V30-T32 PolarHBondContact O-N 2.72Å; V30-T32 PolarHBondContact O-OG1 2.9Å
31S38.2Very low54.2Low103 Ų103121.9 Ų121.972%0.7266%0.661SS**  trans-52.888.7176-63.70000109.2E29 P33E29-S31 PolarHBondContact O-N 2.92Å; S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å
32T52.8Low56.7Low70 Ų70114.6 Ų114.643%0.42964%0.636SS.*  trans-88.7107.2-176.4-56.50000106V30 L34 I47V30-T32 PolarHBondContact O-N 2.72Å; V30-T32 PolarHBondContact O-OG1 2.9Å; T32-L34 PolarHBondContact O-N 2.95Å; T32-L34 VanDerWaalsContact O-N 3.13Å; T32-I47 HydrophobicContact CG2-CD1 4.04Å
33P44.2Very low59.2Low114 Ų114111.2 Ų111.274%0.7462%0.62SS**SBendtrans-62.1121.9-174.124.1-33.3000109.9S31S31-P33 VanDerWaalsContact O-CD 3.25Å; S31-P33 WeakPolarHBondContact O-CD 3.47Å
34L48.7Very low61.7Low134 Ų134101.7 Ų101.770%0.70259%0.588SS**SBendtrans65.8129.3-170.1-70.765.5000114.3T32 Q36T32-L34 PolarHBondContact O-N 2.95Å; T32-L34 VanDerWaalsContact O-N 3.13Å; L34-Q36 PolarHBondContact O-N 3.17Å
35G53.7Low64Low88 Ų88101.1 Ų101.191%0.90758%0.583SS**SBendtrans-70.254.6-174.800000116G37G35-G37 VanDerWaalsContact C-N 3.34Å
36Q67.5Low66.7Low124 Ų124102.6 Ų102.658%0.57958%0.579SS**  trans-87.3-1.6174.8-63.6-170.8-13.700113.6L34 R38L34-Q36 PolarHBondContact O-N 3.17Å; Q36-R38 PolarHBondContact O-N 2.87Å
37G75.9Confident69.2Low36 Ų3695.6 Ų95.637%0.37155%0.55SS..EExtended strand (participates in β ladder)trans-66.9115.5174.400000111.3G35G35-G37 VanDerWaalsContact C-N 3.34Å
38R86.1Confident71.3Confident158 Ų15895.6 Ų95.660%0.59655%0.545SS*.EExtended strand (participates in β ladder)trans-97150.1172.4-63-169.7-176.2-159.4-2.6109.9Q36 V45 F46 N48Q36-R38 PolarHBondContact O-N 2.87Å; R38-V45 CarbonylContact O-C 3.56Å; R38-V45 WeakPolarHBondContact O-CA 3.31Å; R38-F46 HydrophobicContact CB-CD1 4.35Å; R38-F46 HydrophobicContact CB-CE1 3.78Å; R38-F46 HydrophobicContact CB-CE2 4.48Å; R38-F46 HydrophobicContact CB-CZ 3.86Å; R38-F46 PolarHBondContact N-O 2.91Å; R38-F46 WeakPolarHBondContact O-CD1 3.29Å; R38-F46 PolarHBondContact O-N 3.46Å; R38-N48 PolarHBondContact NE-ND2 2.76Å
39V91.3Very high73.4Confident101 Ų10191.3 Ų91.361%0.61254%0.539SS*.EExtended strand (participates in β ladder)trans-94.5138.3173.2-173.20000109.2G44V39-G44 WeakPolarHBondContact CA-O 3.23Å
40N91.1Very high75.6Confident37 Ų3792.8 Ų92.820%0.19854%0.538CS..PPolyproline II helixtrans-92.6173.2175.470.337000111.9L42 G43 G44 F46 R78N40-L42 PolarHBondContact O-N 3.09Å; N40-L42 WeakPolarHBondContact OD1-CA 3.33Å; N40-L42 WeakPolarHBondContact OD1-CB 3.41Å; N40-L42 PolarHBondContact OD1-N 2.98Å; N40-G43 PolarHBondContact O-N 3.5Å; N40-G43 PolarHBondContact OD1-N 3.37Å; N40-G44 VanDerWaalsContact CG-O 3.22Å; N40-G44 PolarHBondContact N-O 2.62Å; N40-G44 PolarHBondContact ND2-O 2.7Å; N40-G44 PolarHBondContact OD1-N 2.6Å; N40-G44 VanDerWaalsContact OD1-N 3.1Å; N40-F46 HydrophobicContact CB-CD1 3.93Å; N40-F46 HydrophobicContact CB-CE1 3.8Å; N40-R78 PolarHBondContact ND2-O 2.97Å; N40-R78 PolarHBondContact OD1-O 3.44Å
41Q91.3Very high78Confident207 Ų20791 Ų9197%0.96753%0.529SS*.THydrogen-bonded Turntrans-60.1-13.3179.9-70.4173-31.400115.1
42L89.5Confident80.6Confident70 Ų7087.6 Ų87.637%0.36650%0.502SS..THydrogen-bonded Turntrans-98.25.6176-57172.4000112.3N40 R78 V79N40-L42 PolarHBondContact O-N 3.09Å; N40-L42 WeakPolarHBondContact OD1-CA 3.33Å; N40-L42 WeakPolarHBondContact OD1-CB 3.41Å; N40-L42 PolarHBondContact OD1-N 2.98Å; L42-R78 HydrophobicContact CB-CB 4.17Å; L42-R78 WeakPolarHBondContact O-CB 3.31Å; L42-R78 VanDerWaalsContact O-CD 3.27Å; L42-R78 WeakPolarHBondContact O-CD 3.18Å; L42-R78 VanDerWaalsContact O-CG 3.29Å; L42-R78 WeakPolarHBondContact O-CG 3.42Å; L42-V79 WeakPolarHBondContact CD1-O 3.47Å
43G89Confident82.5Confident32 Ų3287.3 Ų87.333%0.3350%0.502SS..SBendtrans74.522.3-177.100000114.1N40 R78N40-G43 PolarHBondContact O-N 3.5Å; N40-G43 PolarHBondContact OD1-N 3.37Å; G43-R78 WeakPolarHBondContact O-CD 3.3Å; G43-R78 PolarHBondContact O-NH1 3.38Å
44G91.1Very high84.9Confident10 Ų1085.6 Ų85.610%0.10349%0.487CS..  trans-103.2138.4178.600000112.9V39 N40V39-G44 WeakPolarHBondContact CA-O 3.23Å; N40-G44 VanDerWaalsContact CG-O 3.22Å; N40-G44 PolarHBondContact N-O 2.62Å; N40-G44 PolarHBondContact ND2-O 2.7Å; N40-G44 PolarHBondContact OD1-N 2.6Å; N40-G44 VanDerWaalsContact OD1-N 3.1Å
45V92.3Very high87.1Confident108 Ų10885.1 Ų85.166%0.65548%0.48SS*.EExtended strand (participates in β ladder)trans-80.6137.7-178.9-174.90000111R38R38-V45 CarbonylContact O-C 3.56Å; R38-V45 WeakPolarHBondContact O-CA 3.31Å
46F92.1Very high89.1Confident71 Ų7182.8 Ų82.831%0.31145%0.447SS..EExtended strand (participates in β ladder)trans-149.6154.4174.873.8-77.1000111.7R38 N40R38-F46 HydrophobicContact CB-CD1 4.35Å; R38-F46 HydrophobicContact CB-CE1 3.78Å; R38-F46 HydrophobicContact CB-CE2 4.48Å; R38-F46 HydrophobicContact CB-CZ 3.86Å; R38-F46 PolarHBondContact N-O 2.91Å; R38-F46 WeakPolarHBondContact O-CD1 3.29Å; R38-F46 PolarHBondContact O-N 3.46Å; N40-F46 HydrophobicContact CB-CD1 3.93Å; N40-F46 HydrophobicContact CB-CE1 3.8Å
47I90Very high90.5Very high48 Ų4877.9 Ų77.925%0.24642%0.423CS..EExtended strand (participates in β ladder)trans-107.1128.8174.7-55.9170.5000108.4T32 R50T32-I47 HydrophobicContact CG2-CD1 4.04Å; I47-R50 HydrophobicContact CB-CB 4.17Å; I47-R50 HydrophobicContact CB-CG 4.4Å; I47-R50 HydrophobicContact CG2-CB 4.22Å; I47-R50 HydrophobicContact CG2-CG 3.92Å; I47-R50 PolarHBondContact O-N 3.13Å
48N86.1Confident91.4Very high95 Ų9581 Ų8151%0.50843%0.428SS..THydrogen-bonded Turntrans-62.1138.1178.4-97.7-42.5000111.4R38 R50R38-N48 PolarHBondContact NE-ND2 2.76Å; N48-R50 PolarHBondContact O-N 3.49Å
49G85Confident91.9Very high69 Ų6977.4 Ų77.471%0.71142%0.416SS*.THydrogen-bonded Turntrans75.4-20.4178.600000115.7
50R89.1Confident92.2Very high175 Ų17572.6 Ų72.666%0.6639%0.387SS*.SBendtrans-86.9153175.4-64.1-165.3-177.3-158.5-0.2111.6I47 N48I47-R50 HydrophobicContact CB-CB 4.17Å; I47-R50 HydrophobicContact CB-CG 4.4Å; I47-R50 HydrophobicContact CG2-CB 4.22Å; I47-R50 HydrophobicContact CG2-CG 3.92Å; I47-R50 PolarHBondContact O-N 3.13Å; N48-R50 PolarHBondContact O-N 3.49Å
51P92.6Very high92.5Very high60 Ų6071.3 Ų71.339%0.3938%0.381SS..PPolyproline II helixtrans-70.6153.6171.930.8-33.4000110.8P99 I102P51-P99 HydrophobicContact CB-CB 3.69Å; P51-P99 HydrophobicContact CB-CG 4.1Å; P51-P99 HydrophobicContact CG-CB 4.15Å; P51-P99 HydrophobicContact CG-CG 4.13Å; P51-I102 HydrophobicContact CB-CD1 4.07Å; P51-I102 HydrophobicContact CG-CD1 4.07Å
52L93Very high92.7Very high32 Ų3265.4 Ų65.417%0.16835%0.353CS..PPolyproline II helixtrans-57.5142.5172.5-167.970.8000110.8I56 R57 I60 V79 I87L52-I56 HydrophobicContact CD1-CG2 4.49Å; L52-I56 HydrophobicContact CD2-CB 4.05Å; L52-I56 HydrophobicContact CD2-CG2 3.62Å; L52-I56 HydrophobicContact CG-CB 4.09Å; L52-I56 HydrophobicContact CG-CG2 4.1Å; L52-R57 HydrophobicContact CB-CG 4.22Å; L52-R57 HydrophobicContact CD2-CG 4.36Å; L52-R57 WeakPolarHBondContact O-CD 3.12Å; L52-I60 HydrophobicContact CD2-CD1 3.81Å; L52-V79 HydrophobicContact CD1-CG2 4.33Å; L52-V79 HydrophobicContact CD2-CG1 4Å; L52-V79 HydrophobicContact CD2-CG2 4.01Å; L52-I87 HydrophobicContact CD2-CD1 3.83Å
53P93.9Very high93.1Very high64 Ų6462.3 Ų62.342%0.41634%0.337SS..PPolyproline II helixtrans-55.6145.5-179.2-2835.9000113.8H55 I56 R57P53-H55 PolarHBondContact O-N 3.3Å; P53-I56 HydrophobicContact CB-CG1 4.35Å; P53-I56 PolarHBondContact O-N 3.4Å; P53-I56 VanDerWaalsContact O-N 3.14Å; P53-R57 WeakPolarHBondContact O-CG 3.44Å; P53-R57 PolarHBondContact O-N 3.06Å
54N93.6Very high93.5Very high79 Ų7962.4 Ų62.442%0.42234%0.335SS..Hα-helixtrans-62.1-41.3-169.7-160.914000112.8I56 R57 H58N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.98Å; N54-R57 WeakPolarHBondContact O-CA 3.21Å; N54-R57 WeakPolarHBondContact O-CB 3.35Å; N54-R57 PolarHBondContact O-N 2.98Å; N54-H58 PolarHBondContact O-CD2 3.06Å; N54-H58 PolarHBondContact O-N 3.27Å
55H94.8Very high93.7Very high123 Ų12368.3 Ų68.357%0.56936%0.359SS*.Hα-helixtrans-58.6-37.5176.958-102.2000112.9P53 K59P53-H55 PolarHBondContact O-N 3.3Å; H55-K59 WeakPolarHBondContact O-CB 3.41Å; H55-K59 PolarHBondContact O-N 2.76Å
56I95.4Very high93.9Very high40 Ų4069.7 Ų69.721%0.20536%0.358CS..Hα-helixtrans-69.3-35.3174.2-50.5-64.2000110.9L52 P53 N54 K59 I60 L77 V79L52-I56 HydrophobicContact CD1-CG2 4.49Å; L52-I56 HydrophobicContact CD2-CB 4.05Å; L52-I56 HydrophobicContact CD2-CG2 3.62Å; L52-I56 HydrophobicContact CG-CB 4.09Å; L52-I56 HydrophobicContact CG-CG2 4.1Å; P53-I56 HydrophobicContact CB-CG1 4.35Å; P53-I56 PolarHBondContact O-N 3.4Å; P53-I56 VanDerWaalsContact O-N 3.14Å; N54-I56 VanDerWaalsContact C-N 3.3Å; N54-I56 PolarHBondContact O-N 2.98Å; I56-K59 PolarHBondContact O-N 2.69Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.5Å; I56-I60 PolarHBondContact O-N 3.37Å; I56-L77 HydrophobicContact CG2-CD1 4.36Å; I56-V79 HydrophobicContact CG2-CG2 3.66Å
57R96.4Very high94Very high21 Ų2169.3 Ų69.38%0.07937%0.374CS..Hα-helixtrans-67.7-40.3177.5-61.8171.866.397.17111.8L52 P53 N54 V61 I87 I97 R98L52-R57 HydrophobicContact CB-CG 4.22Å; L52-R57 HydrophobicContact CD2-CG 4.36Å; L52-R57 WeakPolarHBondContact O-CD 3.12Å; P53-R57 WeakPolarHBondContact O-CG 3.44Å; P53-R57 PolarHBondContact O-N 3.06Å; N54-R57 WeakPolarHBondContact O-CA 3.21Å; N54-R57 WeakPolarHBondContact O-CB 3.35Å; N54-R57 PolarHBondContact O-N 2.98Å; R57-V61 PolarHBondContact O-N 3.03Å; R57-I87 HydrophobicContact CG-CD1 4.11Å; R57-I97 PolarHBondContact NE-O 3.39Å; R57-I97 PolarHBondContact NH2-O 2.96Å; R57-R98 PolarHBondContact NH2-O 3.07Å
58H96.1Very high94.3Very high101 Ų10169.6 Ų69.647%0.46838%0.376SS..Hα-helixtrans-56.9-55166.5-82.7-93.2000110.4N54 I60 V61 E62 I97N54-H58 PolarHBondContact O-CD2 3.06Å; N54-H58 PolarHBondContact O-N 3.27Å; H58-I60 VanDerWaalsContact C-N 3.27Å; H58-I60 PolarHBondContact O-N 3.02Å; H58-V61 PolarHBondContact O-N 3.29Å; H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 2.94Å; H58-I97 WeakPolarHBondContact CE1-CD1 3.48Å; H58-I97 WeakPolarHBondContact NE2-CD1 3.41Å
59K97Very high94.8Very high83 Ų8373.9 Ų73.936%0.36138%0.384SS..Hα-helixtrans-60.8-33.5-174.6-160.155.1157.7-176.90113.5H55 I56 E62 M63 L77H55-K59 WeakPolarHBondContact O-CB 3.41Å; H55-K59 PolarHBondContact O-N 2.76Å; I56-K59 PolarHBondContact O-N 2.69Å; K59-E62 HydrophobicContact CD-CB 4.49Å; K59-E62 WeakPolarHBondContact CD-OE2 3.5Å; K59-E62 WeakPolarHBondContact CE-OE2 3.26Å; K59-E62 IonicContact NZ-OE1 3.92Å; K59-E62 PolarHBondContact NZ-OE1 3.04Å; K59-E62 IonicContact NZ-OE2 2.67Å; K59-E62 PolarHBondContact NZ-OE2 3.41Å; K59-M63 HydrophobicContact CD-CG 4.36Å; K59-M63 HydrophobicContact CG-CG 4.34Å; K59-M63 HydrophobicContact CG-SD 4.15Å; K59-M63 VanDerWaalsContact O-CB 3.31Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 WeakPolarHBondContact O-CG 3.44Å; K59-M63 PolarHBondContact O-N 3.29Å; K59-L77 HydrophobicContact CB-CD1 4.08Å; K59-L77 HydrophobicContact CB-CD2 4.37Å; K59-L77 HydrophobicContact CG-CD1 4.12Å; K59-L77 HydrophobicContact CG-CD2 3.77Å
60I97Very high95.2Very high0 Ų073 Ų730%037%0.367CS..Hα-helixtrans-59.4-45.3171.9-75.7165.9000111.9L52 I56 H58 A64 I73 L77 V79 V84 I87 L88L52-I60 HydrophobicContact CD2-CD1 3.81Å; I56-I60 HydrophobicContact CG2-CD1 4.18Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.5Å; I56-I60 PolarHBondContact O-N 3.37Å; H58-I60 VanDerWaalsContact C-N 3.27Å; H58-I60 PolarHBondContact O-N 3.02Å; I60-A64 PolarHBondContact O-N 3.42Å; I60-I73 HydrophobicContact CB-CG2 4.34Å; I60-I73 HydrophobicContact CG1-CG2 3.94Å; I60-I73 HydrophobicContact CG2-CG2 4.47Å; I60-L77 HydrophobicContact CB-CD1 4.48Å; I60-L77 HydrophobicContact CG1-CD1 3.57Å; I60-V79 HydrophobicContact CD1-CG1 4.21Å; I60-V79 HydrophobicContact CD1-CG2 4.44Å; I60-V84 HydrophobicContact CD1-CG2 4.26Å; I60-V84 HydrophobicContact CG1-CG2 4.47Å; I60-V84 HydrophobicContact CG2-CG1 4.05Å; I60-I87 HydrophobicContact CB-CG2 4.39Å; I60-I87 HydrophobicContact CD1-CD1 3.59Å; I60-I87 HydrophobicContact CG2-CB 4.19Å; I60-I87 HydrophobicContact CG2-CG2 3.82Å; I60-L88 HydrophobicContact CG2-CD2 3.75Å; I60-L88 HydrophobicContact CG2-CG 3.89Å
61V96.5Very high95.5Very high10 Ų1066.6 Ų66.66%0.06135%0.348CS..Hα-helixtrans-74.5-44.5-179.7171.20000111R57 H58 M63 A64 H65 I87 L88 Y91 I97R57-V61 PolarHBondContact O-N 3.03Å; H58-V61 PolarHBondContact O-N 3.29Å; V61-M63 PolarHBondContact O-N 3.11Å; V61-A64 PolarHBondContact O-N 3.14Å; V61-A64 VanDerWaalsContact O-N 3.07Å; V61-H65 PolarHBondContact O-CD2 2.92Å; V61-H65 PolarHBondContact O-N 3.3Å; V61-I87 HydrophobicContact CG2-CG2 4.3Å; V61-L88 HydrophobicContact CG2-CD2 4.19Å; V61-Y91 HydrophobicContact CG1-CD1 3.71Å; V61-Y91 HydrophobicContact CG1-CD2 4.06Å; V61-Y91 HydrophobicContact CG1-CE1 3.46Å; V61-Y91 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y91 HydrophobicContact CG1-CE2 3.84Å; V61-Y91 HydrophobicContact CG1-CG 4.01Å; V61-Y91 HydrophobicContact CG2-CD1 4.17Å; V61-Y91 HydrophobicContact CG2-CD2 4.03Å; V61-Y91 HydrophobicContact CG2-CG 3.81Å; V61-I97 HydrophobicContact CG2-CG2 4.02Å
62E96.9Very high95.7Very high82 Ų8266.2 Ų66.238%0.38334%0.344SS..Hα-helixtrans-54.4-50176.5-169.8-145.1114.600111.2H58 K59 A64 H65 H66H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 2.94Å; K59-E62 HydrophobicContact CD-CB 4.49Å; K59-E62 WeakPolarHBondContact CD-OE2 3.5Å; K59-E62 WeakPolarHBondContact CE-OE2 3.26Å; K59-E62 IonicContact NZ-OE1 3.92Å; K59-E62 PolarHBondContact NZ-OE1 3.04Å; K59-E62 IonicContact NZ-OE2 2.67Å; K59-E62 PolarHBondContact NZ-OE2 3.41Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.85Å; E62-H65 PolarHBondContact O-N 2.84Å; E62-H66 PolarHBondContact O-N 3.48Å; E62-H66 VanDerWaalsContact O-N 3.15Å; E62-H66 PolarHBondContact O-ND1 2.76Å
63M97.2Very high95.9Very high6 Ų664.7 Ų64.73%0.0334%0.336CS..Hα-helixtrans-62.9-35.4177-71.5177.773.500112.8K59 V61 H66 I68 I73 Q76 L77K59-M63 HydrophobicContact CD-CG 4.36Å; K59-M63 HydrophobicContact CG-CG 4.34Å; K59-M63 HydrophobicContact CG-SD 4.15Å; K59-M63 VanDerWaalsContact O-CB 3.31Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 WeakPolarHBondContact O-CG 3.44Å; K59-M63 PolarHBondContact O-N 3.29Å; V61-M63 PolarHBondContact O-N 3.11Å; M63-H66 CarbonylContact O-C 3.52Å; M63-H66 PolarHBondContact O-N 3.21Å; M63-I68 HydrophobicContact CB-CB 4.3Å; M63-I68 HydrophobicContact CB-CD1 4.02Å; M63-I68 HydrophobicContact CE-CD1 3.85Å; M63-I68 HydrophobicContact CE-CG2 4.08Å; M63-I68 HydrophobicContact CG-CD1 4.14Å; M63-I68 WeakPolarHBondContact O-CB 3.45Å; M63-I68 WeakPolarHBondContact O-CG1 3.25Å; M63-I68 PolarHBondContact O-N 3.38Å; M63-I73 HydrophobicContact CB-CD1 3.83Å; M63-I73 HydrophobicContact CB-CG1 3.85Å; M63-I73 HydrophobicContact CE-CB 4.43Å; M63-I73 HydrophobicContact CE-CG1 4.09Å; M63-I73 HydrophobicContact SD-CG1 4.49Å; M63-I73 HydrophobicContact SD-CG2 4.22Å; M63-Q76 HydrophobicContact CE-CB 4.15Å; M63-Q76 HydrophobicContact CE-CG 4.16Å; M63-L77 HydrophobicContact SD-CD1 3.83Å; M63-L77 HydrophobicContact SD-CD2 3.97Å; M63-L77 HydrophobicContact SD-CG 3.85Å
64A96.5Very high96.1Very high34 Ų3462 Ų6228%0.28132%0.319SS..Hα-helixtrans-70.7-33.5177.100000112.5I60 V61 E62 H66 G67 I73 L88I60-A64 PolarHBondContact O-N 3.42Å; V61-A64 PolarHBondContact O-N 3.14Å; V61-A64 VanDerWaalsContact O-N 3.07Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 2.85Å; A64-H66 VanDerWaalsContact C-N 3.31Å; A64-G67 PolarHBondContact O-N 3.32Å; A64-G67 VanDerWaalsContact O-N 3.07Å; A64-I73 HydrophobicContact CB-CD1 3.93Å; A64-L88 HydrophobicContact CB-CD1 4.09Å; A64-L88 HydrophobicContact CB-CD2 3.49Å; A64-L88 VanDerWaalsContact CB-CD2 3.49Å; A64-L88 HydrophobicContact CB-CG 4.46Å
65H95.6Very high96.2Very high134 Ų13465.5 Ų65.562%0.6233%0.326SS*.Hα-helixtrans-64.1-35.3170.4-89.3-109.5000112.1V61 E62 G67 Y91V61-H65 PolarHBondContact O-CD2 2.92Å; V61-H65 PolarHBondContact O-N 3.3Å; E62-H65 PolarHBondContact O-N 2.84Å; H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.08Å; H65-Y91 AromaticContact NE2-CE1 3.48Å; H65-Y91 WeakPolarHBondContact NE2-CE1 3.48Å
66H96.8Very high96.3Very high137 Ų13765.7 Ų65.763%0.63433%0.327SS*.THydrogen-bonded Turntrans-75.118.5170.3-65.683.8000113.5E62 M63 A64 I68E62-H66 PolarHBondContact O-N 3.48Å; E62-H66 VanDerWaalsContact O-N 3.15Å; E62-H66 PolarHBondContact O-ND1 2.76Å; M63-H66 CarbonylContact O-C 3.52Å; M63-H66 PolarHBondContact O-N 3.21Å; A64-H66 VanDerWaalsContact C-N 3.31Å; H66-I68 HydrophobicContact CB-CD1 4.44Å; H66-I68 HydrophobicContact CB-CG1 4.31Å; H66-I68 PolarHBondContact O-N 2.86Å; H66-I68 VanDerWaalsContact O-N 3.15Å
67G94.7Very high96.3Very high62 Ų6265.5 Ų65.564%0.63933%0.327SS*.THydrogen-bonded Turntrans70.35177.700000115.6A64 H65 R69A64-G67 PolarHBondContact O-N 3.32Å; A64-G67 VanDerWaalsContact O-N 3.07Å; H65-G67 PolarHBondContact O-N 2.76Å; H65-G67 VanDerWaalsContact O-N 3.08Å; G67-R69 PolarHBondContact O-N 3.42Å
68I96.7Very high96.3Very high55 Ų5571.1 Ų71.128%0.28235%0.348SS..  trans-70.9122.9-173.7-54.7177.5000109.9M63 H66 V72 I73M63-I68 HydrophobicContact CB-CB 4.3Å; M63-I68 HydrophobicContact CB-CD1 4.02Å; M63-I68 HydrophobicContact CE-CD1 3.85Å; M63-I68 HydrophobicContact CE-CG2 4.08Å; M63-I68 HydrophobicContact CG-CD1 4.14Å; M63-I68 WeakPolarHBondContact O-CB 3.45Å; M63-I68 WeakPolarHBondContact O-CG1 3.25Å; M63-I68 PolarHBondContact O-N 3.38Å; H66-I68 HydrophobicContact CB-CD1 4.44Å; H66-I68 HydrophobicContact CB-CG1 4.31Å; H66-I68 PolarHBondContact O-N 2.86Å; H66-I68 VanDerWaalsContact O-N 3.15Å; I68-V72 HydrophobicContact CG2-CB 3.73Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; I68-I73 HydrophobicContact CB-CG1 4.19Å; I68-I73 HydrophobicContact CG2-CG1 3.9Å; I68-I73 VanDerWaalsContact O-CD1 3.3Å; I68-I73 WeakPolarHBondContact O-CD1 3.47Å
69R95.3Very high96.3Very high184 Ų18466.8 Ų66.869%0.69433%0.328SS*.  trans-58.5137.9-176.3-63.1175.370.5-170.14.2111.3G67 C71 V72 I73G67-R69 PolarHBondContact O-N 3.42Å; R69-C71 PolarHBondContact O-N 3.41Å; R69-V72 HydrophobicContact CB-CG2 4.38Å; R69-V72 WeakPolarHBondContact O-CA 3.42Å; R69-V72 WeakPolarHBondContact O-CB 3.28Å; R69-V72 PolarHBondContact O-N 2.78Å; R69-I73 PolarHBondContact O-N 3.01Å
70P94.6Very high96.3Very high52 Ų5265.8 Ų65.834%0.33833%0.332SS..Hα-helixtrans-54.5-27.7-176.3-30.736.2000116.1S74 V84 L88P70-S74 VanDerWaalsContact O-CB 3.29Å; P70-S74 WeakPolarHBondContact O-CB 3.46Å; P70-S74 PolarHBondContact O-N 3.42Å; P70-V84 HydrophobicContact CB-CG1 4.14Å; P70-L88 HydrophobicContact CB-CD1 4.27Å; P70-L88 HydrophobicContact CG-CD1 3.92Å
71C95.8Very high96.3Very high40 Ų4070.7 Ų70.727%0.2736%0.355SS..Hα-helixtrans-72.3-26.9174.762.80000113.7R69 R75R69-C71 PolarHBondContact O-N 3.41Å; C71-R75 VanDerWaalsContact O-CZ 3.29Å; C71-R75 PolarHBondContact O-N 2.75Å
72V96.8Very high96.2Very high51 Ų5172.3 Ų72.331%0.30937%0.374SS..Hα-helixtrans-76.9-47.4172.5179.60000109.6I68 R69 S74 R75 Q76I68-V72 HydrophobicContact CG2-CB 3.73Å; I68-V72 HydrophobicContact CG2-CG1 3.66Å; R69-V72 HydrophobicContact CB-CG2 4.38Å; R69-V72 WeakPolarHBondContact O-CA 3.42Å; R69-V72 WeakPolarHBondContact O-CB 3.28Å; R69-V72 PolarHBondContact O-N 2.78Å; V72-S74 PolarHBondContact O-N 3.02Å; V72-R75 PolarHBondContact O-N 3.45Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.1Å
73I96.9Very high96.1Very high0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-52-45.8173.6-56.4-179.3000110.6I60 M63 A64 I68 R69 R75 Q76 L77 V84I60-I73 HydrophobicContact CB-CG2 4.34Å; I60-I73 HydrophobicContact CG1-CG2 3.94Å; I60-I73 HydrophobicContact CG2-CG2 4.47Å; M63-I73 HydrophobicContact CB-CD1 3.83Å; M63-I73 HydrophobicContact CB-CG1 3.85Å; M63-I73 HydrophobicContact CE-CB 4.43Å; M63-I73 HydrophobicContact CE-CG1 4.09Å; M63-I73 HydrophobicContact SD-CG1 4.49Å; M63-I73 HydrophobicContact SD-CG2 4.22Å; A64-I73 HydrophobicContact CB-CD1 3.93Å; I68-I73 HydrophobicContact CB-CG1 4.19Å; I68-I73 HydrophobicContact CG2-CG1 3.9Å; I68-I73 VanDerWaalsContact O-CD1 3.3Å; I68-I73 WeakPolarHBondContact O-CD1 3.47Å; R69-I73 PolarHBondContact O-N 3.01Å; I73-R75 PolarHBondContact O-N 3.5Å; I73-Q76 PolarHBondContact O-N 2.74Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CB 3.3Å; I73-L77 PolarHBondContact O-N 3.38Å; I73-V84 HydrophobicContact CB-CG1 4.15Å; I73-V84 HydrophobicContact CG2-CG1 3.95Å; I73-V84 HydrophobicContact CG2-CG2 4.36Å
74S97.3Very high96.1Very high8 Ų869.7 Ų69.76%0.05637%0.365CS..Hα-helixtrans-57.7-44.6177.7-179.20000113.1P70 V72 R78 V79 H81P70-S74 VanDerWaalsContact O-CB 3.29Å; P70-S74 WeakPolarHBondContact O-CB 3.46Å; P70-S74 PolarHBondContact O-N 3.42Å; V72-S74 PolarHBondContact O-N 3.02Å; S74-R78 CarbonylContact O-C 3.56Å; S74-R78 VanDerWaalsContact O-CA 3.32Å; S74-R78 WeakPolarHBondContact O-CA 3.34Å; S74-R78 PolarHBondContact O-N 2.74Å; S74-V79 CarbonylContact C-O 3.49Å; S74-V79 VanDerWaalsContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.03Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.07Å; S74-H81 WeakPolarHBondContact OG-CA 3.11Å; S74-H81 PolarHBondContact OG-N 3.03Å
75R96.6Very high96.1Very high152 Ų15271 Ų7157%0.57437%0.372SS*.Hα-helixtrans-71.9-48.2177.8-71.9-176.1-68.3-98.62.5112.3C71 V72 I73 R78C71-R75 VanDerWaalsContact O-CZ 3.29Å; C71-R75 PolarHBondContact O-N 2.75Å; V72-R75 PolarHBondContact O-N 3.45Å; I73-R75 PolarHBondContact O-N 3.5Å; R75-R78 PolarHBondContact O-N 3.2Å; R75-R78 VanDerWaalsContact O-N 3.15Å
76Q96.3Very high96.1Very high127 Ų12771.5 Ų71.559%0.59337%0.372SS*.Hα-helixtrans-66.2-42.1-174.1-175.1169-5.600112.6M63 V72 I73 R78M63-Q76 HydrophobicContact CE-CB 4.15Å; M63-Q76 HydrophobicContact CE-CG 4.16Å; V72-Q76 WeakPolarHBondContact O-CB 3.34Å; V72-Q76 PolarHBondContact O-N 3.1Å; I73-Q76 PolarHBondContact O-N 2.74Å; Q76-R78 VanDerWaalsContact C-N 3.3Å
77L96.4Very high96Very high37 Ų3765.5 Ų65.519%0.19435%0.345CS..THydrogen-bonded Turntrans-86.8-1.1175.6-56.1-179.2000112.9I56 K59 I60 M63 I73 V79I56-L77 HydrophobicContact CG2-CD1 4.36Å; K59-L77 HydrophobicContact CB-CD1 4.08Å; K59-L77 HydrophobicContact CB-CD2 4.37Å; K59-L77 HydrophobicContact CG-CD1 4.12Å; K59-L77 HydrophobicContact CG-CD2 3.77Å; I60-L77 HydrophobicContact CB-CD1 4.48Å; I60-L77 HydrophobicContact CG1-CD1 3.57Å; M63-L77 HydrophobicContact SD-CD1 3.83Å; M63-L77 HydrophobicContact SD-CD2 3.97Å; M63-L77 HydrophobicContact SD-CG 3.85Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CB 3.3Å; I73-L77 PolarHBondContact O-N 3.38Å; L77-V79 HydrophobicContact CB-CG2 3.99Å; L77-V79 WeakPolarHBondContact O-CG2 3.46Å; L77-V79 PolarHBondContact O-N 3.28Å; L77-V79 VanDerWaalsContact O-N 3.16Å
78R96.4Very high96.1Very high139 Ų13964 Ų6453%0.52532%0.322SS..THydrogen-bonded Turntrans5331.1-175-53.1-177.7177.7-169.1-1.4113.6N40 L42 G43 S74 R75 Q76N40-R78 PolarHBondContact ND2-O 2.97Å; N40-R78 PolarHBondContact OD1-O 3.44Å; L42-R78 HydrophobicContact CB-CB 4.17Å; L42-R78 WeakPolarHBondContact O-CB 3.31Å; L42-R78 VanDerWaalsContact O-CD 3.27Å; L42-R78 WeakPolarHBondContact O-CD 3.18Å; L42-R78 VanDerWaalsContact O-CG 3.29Å; L42-R78 WeakPolarHBondContact O-CG 3.42Å; G43-R78 WeakPolarHBondContact O-CD 3.3Å; G43-R78 PolarHBondContact O-NH1 3.38Å; S74-R78 CarbonylContact O-C 3.56Å; S74-R78 VanDerWaalsContact O-CA 3.32Å; S74-R78 WeakPolarHBondContact O-CA 3.34Å; S74-R78 PolarHBondContact O-N 2.74Å; R75-R78 PolarHBondContact O-N 3.2Å; R75-R78 VanDerWaalsContact O-N 3.15Å; Q76-R78 VanDerWaalsContact C-N 3.3Å
79V95.9Very high95.9Very high9 Ų964.3 Ų64.36%0.05533%0.328CS..  trans-99.5135.2179.1177.10000109.1L42 L52 I56 I60 S74 L77 H81 C83 V84L42-V79 WeakPolarHBondContact CD1-O 3.47Å; L52-V79 HydrophobicContact CD1-CG2 4.33Å; L52-V79 HydrophobicContact CD2-CG1 4Å; L52-V79 HydrophobicContact CD2-CG2 4.01Å; I56-V79 HydrophobicContact CG2-CG2 3.66Å; I60-V79 HydrophobicContact CD1-CG1 4.21Å; I60-V79 HydrophobicContact CD1-CG2 4.44Å; S74-V79 CarbonylContact C-O 3.49Å; S74-V79 VanDerWaalsContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CA-O 3.24Å; S74-V79 WeakPolarHBondContact CB-O 3.5Å; S74-V79 PolarHBondContact O-N 3.03Å; S74-V79 VanDerWaalsContact O-O 3.06Å; S74-V79 PolarHBondContact OG-O 3.07Å; L77-V79 HydrophobicContact CB-CG2 3.99Å; L77-V79 WeakPolarHBondContact O-CG2 3.46Å; L77-V79 PolarHBondContact O-N 3.28Å; L77-V79 VanDerWaalsContact O-N 3.16Å; V79-H81 PolarHBondContact O-N 3.4Å; V79-C83 HydrophobicContact CG1-CB 3.73Å; V79-V84 HydrophobicContact CB-CG2 4.01Å; V79-V84 HydrophobicContact CG1-CG2 3.82Å
80S96.4Very high95.7Very high63 Ų6359.4 Ų59.444%0.44131%0.31SS..  trans-59.3139.7-179.863.40000112.5G82 C83 V84S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.45Å; S80-C83 WeakPolarHBondContact O-CA 3.25Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.01Å; S80-C83 PolarHBondContact O-N 3.17Å; S80-V84 PolarHBondContact O-N 3.12Å; S80-V84 VanDerWaalsContact O-N 3.13Å
81H96.5Very high95.7Very high102 Ų10260.4 Ų60.447%0.47231%0.308SS..Hα-helixtrans-54.8-41.2-173.8-175.6-113.6000113.3S74 V79 C83 V84 S85S74-H81 WeakPolarHBondContact OG-CA 3.11Å; S74-H81 PolarHBondContact OG-N 3.03Å; V79-H81 PolarHBondContact O-N 3.4Å; H81-C83 PolarHBondContact O-N 3.16Å; H81-V84 PolarHBondContact O-N 2.88Å; H81-S85 WeakPolarHBondContact O-CB 3.17Å; H81-S85 PolarHBondContact O-N 3.17Å
82G95.4Very high95.5Very high45 Ų4567 Ų6746%0.46433%0.334SS..Hα-helixtrans-71.6-5.7175.400000115.4S80 K86S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.45Å; G82-K86 WeakPolarHBondContact O-CB 3.42Å; G82-K86 PolarHBondContact O-NZ 3.24Å
83C95Very high94.8Very high33 Ų3370 Ų7022%0.22335%0.345CS..Hα-helixtrans-91.6-47.4166.3-168.90000110.5V79 S80 H81 S85 K86 I87V79-C83 HydrophobicContact CG1-CB 3.73Å; S80-C83 WeakPolarHBondContact O-CA 3.25Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.01Å; S80-C83 PolarHBondContact O-N 3.17Å; H81-C83 PolarHBondContact O-N 3.16Å; C83-S85 PolarHBondContact O-N 3.42Å; C83-K86 PolarHBondContact O-N 3.09Å; C83-K86 VanDerWaalsContact O-N 3.14Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.34Å
84V96.8Very high94.4Very high0 Ų073.7 Ų73.70%037%0.367CS..Hα-helixtrans-53.7-55.6174.1177.90000111I60 P70 I73 V79 S80 H81 K86 I87 L88I60-V84 HydrophobicContact CD1-CG2 4.26Å; I60-V84 HydrophobicContact CG1-CG2 4.47Å; I60-V84 HydrophobicContact CG2-CG1 4.05Å; P70-V84 HydrophobicContact CB-CG1 4.14Å; I73-V84 HydrophobicContact CB-CG1 4.15Å; I73-V84 HydrophobicContact CG2-CG1 3.95Å; I73-V84 HydrophobicContact CG2-CG2 4.36Å; V79-V84 HydrophobicContact CB-CG2 4.01Å; V79-V84 HydrophobicContact CG1-CG2 3.82Å; S80-V84 PolarHBondContact O-N 3.12Å; S80-V84 VanDerWaalsContact O-N 3.13Å; H81-V84 PolarHBondContact O-N 2.88Å; V84-K86 VanDerWaalsContact C-N 3.25Å; V84-K86 PolarHBondContact O-N 2.95Å; V84-I87 PolarHBondContact O-N 2.8Å; V84-I87 VanDerWaalsContact O-N 3.09Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å
85S96.6Very high94Very high62 Ų6275.7 Ų75.743%0.43439%0.39SS..Hα-helixtrans-55.9-37.6177.4165.80000112.9H81 C83 C89H81-S85 WeakPolarHBondContact O-CB 3.17Å; H81-S85 PolarHBondContact O-N 3.17Å; C83-S85 PolarHBondContact O-N 3.42Å; S85-C89 WeakPolarHBondContact O-CB 3.32Å; S85-C89 PolarHBondContact O-N 2.94Å
86K94.9Very high93.5Very high144 Ų14470.4 Ų70.463%0.62638%0.376SS*.Hα-helixtrans-72.2-32179.3-173.7-179.4-64.295.80112.8G82 C83 V84 R90G82-K86 WeakPolarHBondContact O-CB 3.42Å; G82-K86 PolarHBondContact O-NZ 3.24Å; C83-K86 PolarHBondContact O-N 3.09Å; C83-K86 VanDerWaalsContact O-N 3.14Å; V84-K86 VanDerWaalsContact C-N 3.25Å; V84-K86 PolarHBondContact O-N 2.95Å; K86-R90 WeakPolarHBondContact O-CB 3.25Å; K86-R90 PolarHBondContact O-N 2.75Å
87I95.3Very high93.1Very high10 Ų1065.9 Ų65.95%0.05136%0.356CS..Hα-helixtrans-73.9-47.9175.4-70.8163.1000109.9L52 R57 I60 V61 C83 V84 R90 Y91L52-I87 HydrophobicContact CD2-CD1 3.83Å; R57-I87 HydrophobicContact CG-CD1 4.11Å; I60-I87 HydrophobicContact CB-CG2 4.39Å; I60-I87 HydrophobicContact CD1-CD1 3.59Å; I60-I87 HydrophobicContact CG2-CB 4.19Å; I60-I87 HydrophobicContact CG2-CG2 3.82Å; V61-I87 HydrophobicContact CG2-CG2 4.3Å; C83-I87 WeakPolarHBondContact O-CG1 3.37Å; C83-I87 PolarHBondContact O-N 3.34Å; V84-I87 PolarHBondContact O-N 2.8Å; V84-I87 VanDerWaalsContact O-N 3.09Å; I87-R90 PolarHBondContact O-N 2.8Å; I87-Y91 WeakPolarHBondContact O-CB 3.12Å; I87-Y91 PolarHBondContact O-N 2.85Å
88L95.4Very high92.7Very high30 Ų3072.4 Ų72.416%0.15738%0.377CS..Hα-helixtrans-62.8-44.6179-65.3177.6000112.4I60 V61 A64 P70 V84 Y91 Q92I60-L88 HydrophobicContact CG2-CD2 3.75Å; I60-L88 HydrophobicContact CG2-CG 3.89Å; V61-L88 HydrophobicContact CG2-CD2 4.19Å; A64-L88 HydrophobicContact CB-CD1 4.09Å; A64-L88 HydrophobicContact CB-CD2 3.49Å; A64-L88 VanDerWaalsContact CB-CD2 3.49Å; A64-L88 HydrophobicContact CB-CG 4.46Å; P70-L88 HydrophobicContact CB-CD1 4.27Å; P70-L88 HydrophobicContact CG-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.47Å; L88-Y91 PolarHBondContact O-N 3.33Å; L88-Q92 PolarHBondContact O-N 3.26Å
89C93.9Very high92.3Very high62 Ų6268.2 Ų68.242%0.41937%0.368SS..Hα-helixtrans-60.6-46.9175.9-178.70000111.7S85 Y91 Q92 E93S85-C89 WeakPolarHBondContact O-CB 3.32Å; S85-C89 PolarHBondContact O-N 2.94Å; C89-Y91 VanDerWaalsContact C-N 3.3Å; C89-Y91 PolarHBondContact O-N 2.84Å; C89-Q92 PolarHBondContact O-N 3.36Å; C89-E93 WeakPolarHBondContact O-CG 3.42Å; C89-E93 PolarHBondContact O-N 3.19Å
90R91.3Very high91.6Very high81 Ų8169.5 Ų69.531%0.30638%0.383SS..Hα-helixtrans-60.1-39.2174.6177-175.7176.979.7-0.4112.4K86 I87 E93 T94 R98K86-R90 WeakPolarHBondContact O-CB 3.25Å; K86-R90 PolarHBondContact O-N 2.75Å; I87-R90 PolarHBondContact O-N 2.8Å; R90-E93 PolarHBondContact O-N 2.76Å; R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.32Å; R90-R98 PolarHBondContact NE-O 3.45Å; R90-R98 PolarHBondContact NH2-O 3.32Å
91Y93.3Very high90.7Very high74 Ų7471.6 Ų71.629%0.2940%0.404SS..Hα-helixtrans-64.7-45177.9-178.3-102.4000110.6V61 H65 I87 L88 C89 E93 T94 G95 I97V61-Y91 HydrophobicContact CG1-CD1 3.71Å; V61-Y91 HydrophobicContact CG1-CD2 4.06Å; V61-Y91 HydrophobicContact CG1-CE1 3.46Å; V61-Y91 VanDerWaalsContact CG1-CE1 3.46Å; V61-Y91 HydrophobicContact CG1-CE2 3.84Å; V61-Y91 HydrophobicContact CG1-CG 4.01Å; V61-Y91 HydrophobicContact CG2-CD1 4.17Å; V61-Y91 HydrophobicContact CG2-CD2 4.03Å; V61-Y91 HydrophobicContact CG2-CG 3.81Å; H65-Y91 AromaticContact NE2-CE1 3.48Å; H65-Y91 WeakPolarHBondContact NE2-CE1 3.48Å; I87-Y91 WeakPolarHBondContact O-CB 3.12Å; I87-Y91 PolarHBondContact O-N 2.85Å; L88-Y91 WeakPolarHBondContact O-CB 3.47Å; L88-Y91 PolarHBondContact O-N 3.33Å; C89-Y91 VanDerWaalsContact C-N 3.3Å; C89-Y91 PolarHBondContact O-N 2.84Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.08Å; Y91-T94 PolarHBondContact O-N 3.03Å; Y91-G95 VanDerWaalsContact CD2-O 3.28Å; Y91-G95 WeakPolarHBondContact CD2-O 3.3Å; Y91-G95 WeakPolarHBondContact CE2-O 3.27Å; Y91-G95 VanDerWaalsContact O-CA 3.3Å; Y91-G95 WeakPolarHBondContact O-CA 3.28Å; Y91-G95 PolarHBondContact O-N 2.99Å; Y91-I97 HydrophobicContact CD2-CG2 3.71Å; Y91-I97 HydrophobicContact CE2-CG2 3.94Å
92Q91.4Very high89.2Confident179 Ų17972.1 Ų72.184%0.83641%0.41SS*.Hα-helixtrans-66.4-28.4174.5-163.2172.632.400113.5L88 C89L88-Q92 PolarHBondContact O-N 3.26Å; C89-Q92 PolarHBondContact O-N 3.36Å
93E83.7Confident87.3Confident114 Ų11473.1 Ų73.153%0.53342%0.42SS..Hα-helixtrans-77.1-26.5174.2-76.2-177.9155.500114.3C89 R90 Y91C89-E93 WeakPolarHBondContact O-CG 3.42Å; C89-E93 PolarHBondContact O-N 3.19Å; R90-E93 PolarHBondContact O-N 2.76Å; Y91-E93 VanDerWaalsContact C-N 3.31Å; Y91-E93 PolarHBondContact O-N 3.08Å
94T87.4Confident85.4Confident76 Ų7675.2 Ų75.247%0.46645%0.447SS..Hα-helixtrans-144.4-5.1-162.8660000116.7R90 Y91 S96R90-T94 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-OG1 3.32Å; Y91-T94 PolarHBondContact O-N 3.03Å; T94-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact OG1-N 2.76Å
95G88.3Confident83.3Confident51 Ų5180.1 Ų80.153%0.52648%0.481SS..SBendtrans62.4-9.5-165.700000114.8Y91 I97Y91-G95 VanDerWaalsContact CD2-O 3.28Å; Y91-G95 WeakPolarHBondContact CD2-O 3.3Å; Y91-G95 WeakPolarHBondContact CE2-O 3.27Å; Y91-G95 VanDerWaalsContact O-CA 3.3Å; Y91-G95 WeakPolarHBondContact O-CA 3.28Å; Y91-G95 PolarHBondContact O-N 2.99Å; G95-I97 PolarHBondContact O-N 2.91Å
96S86.9Confident81.3Confident41 Ų4185.8 Ų85.829%0.28750%0.498SS..  trans-97.1105.3-165.3-162.10000112.9T94 R98T94-S96 PolarHBondContact O-N 3.47Å; T94-S96 PolarHBondContact OG1-N 2.76Å; S96-R98 PolarHBondContact O-N 2.87Å
97I88.9Confident79.4Confident32 Ų3284.1 Ų84.116%0.16450%0.502CS..  trans-60.5-19.916859.9170.7000113.3R57 H58 V61 Y91 G95R57-I97 PolarHBondContact NE-O 3.39Å; R57-I97 PolarHBondContact NH2-O 2.96Å; H58-I97 WeakPolarHBondContact CE1-CD1 3.48Å; H58-I97 WeakPolarHBondContact NE2-CD1 3.41Å; V61-I97 HydrophobicContact CG2-CG2 4.02Å; Y91-I97 HydrophobicContact CD2-CG2 3.71Å; Y91-I97 HydrophobicContact CE2-CG2 3.94Å; G95-I97 PolarHBondContact O-N 2.91Å
98R87.9Confident77.3Confident173 Ų17394.2 Ų94.265%0.65354%0.54SS*.SBendtrans-66.5141.5-174.1-63.4-179.476.6-126.28111.2R57 R90 S96R57-R98 PolarHBondContact NH2-O 3.07Å; R90-R98 PolarHBondContact NE-O 3.45Å; R90-R98 PolarHBondContact NH2-O 3.32Å; S96-R98 PolarHBondContact O-N 2.87Å
99P86.5Confident75.4Confident51 Ų51100.3 Ų100.333%0.33157%0.567SS.*PPolyproline II helixtrans-58.6148.9168.927.3-33.7000110P51P51-P99 HydrophobicContact CB-CB 3.69Å; P51-P99 HydrophobicContact CB-CG 4.1Å; P51-P99 HydrophobicContact CG-CB 4.15Å; P51-P99 HydrophobicContact CG-CG 4.13Å
100G81.9Confident73.5Confident36 Ų3699.5 Ų99.537%0.37156%0.56SS.*PPolyproline II helixtrans-67.9161.8166.700000110.3I102G100-I102 PolarHBondContact O-N 2.65Å
101A76.5Confident72Confident107 Ų10796.2 Ų96.288%0.88455%0.551SS**PPolyproline II helixtrans-54.7130.517100000110.1
102I65.6Low71Confident114 Ų11496.4 Ų96.459%0.58556%0.56SS**  trans-115.5117.6178.5-67.2163.5000106.5P51 G100P51-I102 HydrophobicContact CB-CD1 4.07Å; P51-I102 HydrophobicContact CG-CD1 4.07Å; G100-I102 PolarHBondContact O-N 2.65Å
103G55.6Low70.2Confident65 Ų6592.3 Ų92.367%0.6755%0.548SS*.  trans81.6-175.5-170.500000112.5
104G55.6Low69.8Low77 Ų7791.5 Ų91.579%0.79455%0.548SS*.  trans79.9122.3-154.100000110.1
105S52.9Low69.5Low104 Ų10488 Ų8873%0.72753%0.526SS*.PPolyproline II helixtrans-58.7153151.655.20000107.7
106K54Low69.3Low180 Ų18089.4 Ų89.478%0.78352%0.519SS*.PPolyproline II helixtrans-48.8140.2149.3-67.5-177.5176.9-175.30106.4R108K106-R108 PolarHBondContact O-N 3.45Å
107P54.2Low69.2Low110 Ų11093.3 Ų93.371%0.71453%0.531SS*.PPolyproline II helixtrans-50.6123.6164.423.1-31.5000106.2Q109P107-Q109 PolarHBondContact O-N 2.98Å
108R51.9Low68.9Low222 Ų22294.9 Ų94.984%0.83854%0.535SS*.PPolyproline II helixtrans-53.9131.3164.7-73.3-175.7-174.3-122.85.8104.2K106 V110K106-R108 PolarHBondContact O-N 3.45Å; R108-V110 HydrophobicContact CB-CG2 3.84Å; R108-V110 PolarHBondContact O-N 3.3Å
109Q54.9Low68.8Low158 Ų15886.7 Ų86.774%0.73850%0.504SS*.  trans-75.268.6177.8-68.8167.1-97.700106.9P107 A111P107-Q109 PolarHBondContact O-N 2.98Å; Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 CarbonylContact C-O 3.31Å; Q109-A111 VanDerWaalsContact C-O 3.31Å
110V55.7Low68.8Low45 Ų4585.8 Ų85.827%0.27350%0.495SS..  trans-63.8-43.7-175.4163.50000108.4R108 G152 A154R108-V110 HydrophobicContact CB-CG2 3.84Å; R108-V110 PolarHBondContact O-N 3.3Å; V110-G152 VanDerWaalsContact CG1-O 3.27Å; V110-G152 WeakPolarHBondContact CG1-O 3.16Å; V110-A154 WeakPolarHBondContact O-CA 3.48Å; V110-A154 WeakPolarHBondContact O-CB 3.42Å; V110-A154 PolarHBondContact O-N 3.04Å
111A59.2Low69.1Low12 Ų1286.7 Ų86.710%0.09949%0.49CS..SBendtrans-91.4137156.500000109.8Q109 E116 A154Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 CarbonylContact C-O 3.31Å; Q109-A111 VanDerWaalsContact C-O 3.31Å; A111-E116 HydrophobicContact CB-CG 3.38Å; A111-A154 HydrophobicContact CB-CB 4.13Å
112T71.3Confident69.6Low78 Ų7881.6 Ų81.648%0.47945%0.448SS..  trans-67.8147.5155.650.40000108.2D114 V115 E116T112-D114 PolarHBondContact O-N 2.89Å; T112-V115 PolarHBondContact O-N 2.77Å; T112-V115 VanDerWaalsContact OG1-CG2 3.28Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.44Å; T112-E116 PolarHBondContact O-N 2.89Å
113P75.8Confident70.5Confident92 Ų9278.1 Ų78.160%0.59743%0.428SS*.Hα-helixtrans-62.5-20.4-176.325.2-34.9000113.2K117P113-K117 WeakPolarHBondContact O-CB 3.34Å; P113-K117 PolarHBondContact O-N 2.9Å
114D75.4Confident72Confident97 Ų9782.3 Ų82.352%0.51942%0.424SS..Hα-helixtrans-72.8-39.2174.9-159.455.7000112.3T112 K117 R118T112-D114 PolarHBondContact O-N 2.89Å; D114-K117 PolarHBondContact O-N 3.28Å; D114-R118 WeakPolarHBondContact O-CB 3.24Å; D114-R118 PolarHBondContact O-N 3.44Å
115V81.5Confident73.5Confident4 Ų483.1 Ų83.12%0.02441%0.407CS..Hα-helixtrans-66.5-39.8172.2175.20000110.9T112 R118 I119 L138 V143 A154T112-V115 PolarHBondContact O-N 2.77Å; T112-V115 VanDerWaalsContact OG1-CG2 3.28Å; T112-V115 WeakPolarHBondContact OG1-CG2 3.44Å; V115-R118 PolarHBondContact O-N 3.03Å; V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; V115-I119 VanDerWaalsContact O-CG1 3.24Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.86Å; V115-L138 HydrophobicContact CG1-CD1 4.03Å; V115-L138 HydrophobicContact CG1-CD2 4.36Å; V115-V143 HydrophobicContact CG2-CG1 4.13Å; V115-A154 HydrophobicContact CB-CB 4.39Å; V115-A154 HydrophobicContact CG1-CB 3.98Å; V115-A154 HydrophobicContact CG2-CB 4.42Å
116E83.1Confident74.9Confident79 Ų7982 Ų8237%0.36939%0.393SS..Hα-helixtrans-60.9-46.2174.7-60.2-169.7137.900111.4A111 T112 R118 I119 E120 V163A111-E116 HydrophobicContact CB-CG 3.38Å; T112-E116 PolarHBondContact O-N 2.89Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.72Å; E116-I119 WeakPolarHBondContact O-CB 3.2Å; E116-I119 PolarHBondContact O-N 2.87Å; E116-E120 WeakPolarHBondContact O-CG 3.5Å; E116-E120 PolarHBondContact O-N 3.45Å; E116-V163 HydrophobicContact CG-CG2 4.32Å
117K84.6Confident76.3Confident123 Ų12378.1 Ų78.154%0.53539%0.386SS..Hα-helixtrans-57.8-43174.7178.2-168.6168.9-157.30112.2P113 D114 E120 E121P113-K117 WeakPolarHBondContact O-CB 3.34Å; P113-K117 PolarHBondContact O-N 2.9Å; D114-K117 PolarHBondContact O-N 3.28Å; K117-E120 PolarHBondContact O-N 2.77Å; K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 3.39Å
118R83.3Confident77.7Confident66 Ų6675.8 Ų75.825%0.24938%0.382CS..Hα-helixtrans-71.7-33.2-179.9-163.569.2170160.62.5112.5D114 V115 E116 E121 Y122 L138 D141 V143D114-R118 WeakPolarHBondContact O-CB 3.24Å; D114-R118 PolarHBondContact O-N 3.44Å; V115-R118 PolarHBondContact O-N 3.03Å; E116-R118 VanDerWaalsContact C-N 3.34Å; E116-R118 PolarHBondContact O-N 2.72Å; R118-E121 VanDerWaalsContact CD-OE2 3.29Å; R118-E121 WeakPolarHBondContact CD-OE2 3.34Å; R118-E121 IonicContact CZ-OE2 2.8Å; R118-E121 IonicContact NE-OE2 3.17Å; R118-E121 IonicContact NH1-OE2 3.24Å; R118-E121 PolarHBondContact NH1-OE2 3.34Å; R118-E121 PolarHBondContact O-N 2.89Å; R118-Y122 HydrophobicContact CG-CD1 4.49Å; R118-Y122 HydrophobicContact CG-CE1 3.81Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 VanDerWaalsContact CG-CZ 3.49Å; R118-Y122 VanDerWaalsContact CZ-CE1 3.43Å; R118-Y122 VanDerWaalsContact NE-CZ 3.29Å; R118-Y122 PolarHBondContact NE-OH 3.22Å; R118-Y122 PolarHBondContact NH2-OH 3.46Å; R118-Y122 VanDerWaalsContact O-CG 3.28Å; R118-Y122 PolarHBondContact O-N 3Å; R118-L138 HydrophobicContact CB-CD2 3.86Å; R118-L138 HydrophobicContact CG-CD2 3.72Å; R118-D141 IonicContact CZ-OD2 3.65Å; R118-D141 IonicContact NH2-OD2 2.69Å; R118-D141 PolarHBondContact NH2-OD2 3.01Å; R118-V143 HydrophobicContact CB-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG2 4.25Å
119I85.9Confident79.2Confident0 Ų066.6 Ų66.60%035%0.349CS..Hα-helixtrans-61.2-46.2169.6-69.9162000110.9V115 E116 E121 Y122 K123 I134 L138 I160 V163 L164V115-I119 HydrophobicContact CG1-CD1 3.88Å; V115-I119 HydrophobicContact CG1-CG1 4.41Å; V115-I119 WeakPolarHBondContact O-CD1 3.46Å; V115-I119 VanDerWaalsContact O-CG1 3.24Å; V115-I119 WeakPolarHBondContact O-CG1 3.35Å; V115-I119 PolarHBondContact O-N 2.86Å; E116-I119 WeakPolarHBondContact O-CB 3.2Å; E116-I119 PolarHBondContact O-N 2.87Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.39Å; I119-Y122 PolarHBondContact O-N 3.24Å; I119-K123 PolarHBondContact O-N 3.38Å; I119-K123 VanDerWaalsContact O-N 3.09Å; I119-I134 HydrophobicContact CB-CG2 4.33Å; I119-I134 HydrophobicContact CG1-CG2 3.88Å; I119-I134 HydrophobicContact CG2-CG2 4.22Å; I119-L138 HydrophobicContact CD1-CD1 4.33Å; I119-L138 HydrophobicContact CG1-CD1 3.87Å; I119-I160 HydrophobicContact CD1-CB 4.47Å; I119-I160 HydrophobicContact CD1-CG1 3.84Å; I119-I160 HydrophobicContact CG1-CG1 4.35Å; I119-I160 HydrophobicContact CG2-CG2 4.24Å; I119-V163 HydrophobicContact CB-CG1 4.49Å; I119-V163 HydrophobicContact CD1-CG2 4.48Å; I119-V163 HydrophobicContact CG2-CB 4.46Å; I119-V163 HydrophobicContact CG2-CG1 4Å; I119-L164 HydrophobicContact CG2-CD2 3.88Å; I119-L164 HydrophobicContact CG2-CG 4.27Å
120E86.8Confident80.6Confident33 Ų3365.2 Ų65.215%0.15434%0.341CS..Hα-helixtrans-63.1-39.1177-73173.2-155.900112.4E116 K117 R124 R167 F168E116-E120 WeakPolarHBondContact O-CG 3.5Å; E116-E120 PolarHBondContact O-N 3.45Å; K117-E120 PolarHBondContact O-N 2.77Å; E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3Å; E120-R124 PolarHBondContact O-N 3.2Å; E120-R167 VanDerWaalsContact CD-NH2 3.28Å; E120-R167 IonicContact OE1-CZ 2.72Å; E120-R167 IonicContact OE1-NE 3.35Å; E120-R167 PolarHBondContact OE1-NE 3.15Å; E120-R167 IonicContact OE1-NH2 2.62Å; E120-R167 PolarHBondContact OE1-NH2 3.13Å; E120-R167 IonicContact OE2-CZ 3.78Å; E120-R167 IonicContact OE2-NE 2.78Å; E120-R167 IonicContact OE2-NH2 2.6Å; E120-R167 PolarHBondContact OE2-NH2 2.83Å; E120-F168 HydrophobicContact CB-CZ 4.48Å; E120-F168 HydrophobicContact CG-CE2 4.21Å
121E87.8Confident82Confident55 Ų5564.1 Ų64.126%0.25734%0.335SS..Hα-helixtrans-63-50.3176.9-170.8163.1-12200111.8K117 R118 I119 K123 R124 E125K117-E121 WeakPolarHBondContact O-CB 3.16Å; K117-E121 PolarHBondContact O-N 3.39Å; R118-E121 VanDerWaalsContact CD-OE2 3.29Å; R118-E121 WeakPolarHBondContact CD-OE2 3.34Å; R118-E121 IonicContact CZ-OE2 2.8Å; R118-E121 IonicContact NE-OE2 3.17Å; R118-E121 IonicContact NH1-OE2 3.24Å; R118-E121 PolarHBondContact NH1-OE2 3.34Å; R118-E121 PolarHBondContact O-N 2.89Å; I119-E121 VanDerWaalsContact C-N 3.33Å; I119-E121 PolarHBondContact O-N 3.39Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.44Å; E121-R124 PolarHBondContact O-N 2.91Å; E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.67Å
122Y86.8Confident83.1Confident0 Ų070.1 Ų70.10%036%0.356CS..Hα-helixtrans-62.5-37.9178-62.7-13.7000113.1R118 I119 N126 I134 K137 L138 D141R118-Y122 HydrophobicContact CG-CD1 4.49Å; R118-Y122 HydrophobicContact CG-CE1 3.81Å; R118-Y122 HydrophobicContact CG-CE2 3.94Å; R118-Y122 VanDerWaalsContact CG-CZ 3.49Å; R118-Y122 VanDerWaalsContact CZ-CE1 3.43Å; R118-Y122 VanDerWaalsContact NE-CZ 3.29Å; R118-Y122 PolarHBondContact NE-OH 3.22Å; R118-Y122 PolarHBondContact NH2-OH 3.46Å; R118-Y122 VanDerWaalsContact O-CG 3.28Å; R118-Y122 PolarHBondContact O-N 3Å; I119-Y122 PolarHBondContact O-N 3.24Å; Y122-N126 PolarHBondContact O-N 2.92Å; Y122-I134 HydrophobicContact CD2-CG2 4.21Å; Y122-K137 HydrophobicContact CD1-CD 3.66Å; Y122-K137 HydrophobicContact CD1-CG 4.45Å; Y122-K137 HydrophobicContact CD2-CB 3.9Å; Y122-K137 HydrophobicContact CD2-CD 3.81Å; Y122-K137 HydrophobicContact CD2-CG 4.03Å; Y122-K137 HydrophobicContact CE1-CD 3.62Å; Y122-K137 HydrophobicContact CE1-CG 4.01Å; Y122-K137 HydrophobicContact CE2-CB 3.57Å; Y122-K137 HydrophobicContact CE2-CD 3.78Å; Y122-K137 HydrophobicContact CE2-CG 3.55Å; Y122-K137 HydrophobicContact CG-CD 3.76Å; Y122-K137 HydrophobicContact CG-CG 4.46Å; Y122-K137 PolarHBondContact OH-O 3.36Å; Y122-K137 VanDerWaalsContact OH-O 3.11Å; Y122-L138 HydrophobicContact CD2-CG 4.49Å; Y122-L138 HydrophobicContact CE2-CD2 3.92Å; Y122-L138 HydrophobicContact CE2-CG 3.92Å; Y122-D141 WeakPolarHBondContact OH-CB 3.3Å; Y122-D141 VanDerWaalsContact OH-CG 3.32Å; Y122-D141 PolarHBondContact OH-OD2 3.46Å
123K85.3Confident83.9Confident40 Ų4069.6 Ų69.617%0.17435%0.347CS..Hα-helixtrans-72.4-30.2177-167.861.4162.4175.20112.7I119 E121 N126 P127 M129 I134 L164 F168I119-K123 PolarHBondContact O-N 3.38Å; I119-K123 VanDerWaalsContact O-N 3.09Å; E121-K123 VanDerWaalsContact C-N 3.33Å; E121-K123 PolarHBondContact O-N 3.44Å; K123-N126 CarbonylContact O-C 3.23Å; K123-N126 VanDerWaalsContact O-C 3.23Å; K123-P127 VanDerWaalsContact CE-O 3.29Å; K123-P127 WeakPolarHBondContact CE-O 3.43Å; K123-P127 PolarHBondContact NZ-O 3.04Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.5Å; K123-M129 PolarHBondContact NZ-O 3.08Å; K123-I134 HydrophobicContact CB-CD1 4.4Å; K123-I134 HydrophobicContact CD-CD1 4.35Å; K123-L164 HydrophobicContact CB-CD2 3.86Å; K123-L164 HydrophobicContact CD-CD2 4.11Å; K123-L164 HydrophobicContact CG-CD2 3.73Å; K123-F168 HydrophobicContact CB-CE1 4.35Å; K123-F168 HydrophobicContact CB-CE2 3.91Å; K123-F168 HydrophobicContact CB-CZ 3.78Å; K123-F168 HydrophobicContact CG-CD1 4.24Å; K123-F168 HydrophobicContact CG-CD2 4.12Å; K123-F168 HydrophobicContact CG-CE1 4.04Å; K123-F168 HydrophobicContact CG-CE2 3.92Å; K123-F168 HydrophobicContact CG-CG 4.28Å; K123-F168 HydrophobicContact CG-CZ 3.88Å
124R86.8Confident84.3Confident153 Ų15365.2 Ų65.258%0.57732%0.319SS*.Hα-helixtrans-73.5-40.2173.5174170.855.2-120.6-5.9112.2E120 E121 N126E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3Å; E120-R124 PolarHBondContact O-N 3.2Å; E121-R124 PolarHBondContact O-N 2.91Å; R124-N126 VanDerWaalsContact C-N 3.35Å
125E86.3Confident84.7Confident94 Ų9464.4 Ų64.444%0.43931%0.309SS..Hα-helixtrans-64.1-40172.8-71169.8168.300111.7E121 K137E121-E125 WeakPolarHBondContact O-CG 3.45Å; E121-E125 PolarHBondContact O-N 2.67Å; E125-K137 IonicContact OE2-NZ 3.87Å; E125-K137 PolarHBondContact OE2-NZ 3.38Å
126N83.5Confident84.8Confident81 Ų8167.9 Ų67.943%0.43333%0.327SS..  trans-137.589.1-176.9-71.9-91.5000110.7Y122 K123 R124 G128 M129Y122-N126 PolarHBondContact O-N 2.92Å; K123-N126 CarbonylContact O-C 3.23Å; K123-N126 VanDerWaalsContact O-C 3.23Å; R124-N126 VanDerWaalsContact C-N 3.35Å; N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 VanDerWaalsContact O-N 3.13Å; N126-M129 HydrophobicContact CB-CB 3.89Å; N126-M129 HydrophobicContact CB-CE 3.95Å; N126-M129 WeakPolarHBondContact O-CB 3.47Å; N126-M129 PolarHBondContact O-N 3.4Å
127P82.3Confident84.8Confident98 Ų9866.6 Ų66.664%0.63632%0.32SS*.THydrogen-bonded Turntrans-57.9-26.5178.2-28.837.2000114.2K123 M129K123-P127 VanDerWaalsContact CE-O 3.29Å; K123-P127 WeakPolarHBondContact CE-O 3.43Å; K123-P127 PolarHBondContact NZ-O 3.04Å; K123-P127 VanDerWaalsContact O-CA 3.31Å; K123-P127 WeakPolarHBondContact O-CA 3.5Å; P127-M129 VanDerWaalsContact C-N 3.31Å; P127-M129 PolarHBondContact O-N 2.95Å
128G83.8Confident84.8Confident62 Ų6260.7 Ų60.764%0.63930%0.295SS*.THydrogen-bonded Turntrans-71.3-18.3173.100000115.1N126 F130N126-G128 PolarHBondContact O-N 3.21Å; N126-G128 VanDerWaalsContact O-N 3.13Å; G128-F130 PolarHBondContact O-N 3.07Å
129M84Confident84.8Confident29 Ų2960 Ų6014%0.14330%0.295CS..  trans-65.5129.8-167.9-165.8-179-80.400112.8K123 N126 P127 E133 I134 K137K123-M129 PolarHBondContact NZ-O 3.08Å; N126-M129 HydrophobicContact CB-CB 3.89Å; N126-M129 HydrophobicContact CB-CE 3.95Å; N126-M129 WeakPolarHBondContact O-CB 3.47Å; N126-M129 PolarHBondContact O-N 3.4Å; P127-M129 VanDerWaalsContact C-N 3.31Å; P127-M129 PolarHBondContact O-N 2.95Å; M129-E133 WeakPolarHBondContact CA-OE2 3.16Å; M129-E133 HydrophobicContact CG-CB 3.52Å; M129-E133 HydrophobicContact CG-CG 4.48Å; M129-E133 WeakPolarHBondContact CG-OE2 3.38Å; M129-E133 HydrophobicContact SD-CB 4.23Å; M129-I134 HydrophobicContact CB-CG1 4.38Å; M129-I134 HydrophobicContact CG-CG1 3.8Å; M129-I134 HydrophobicContact SD-CG1 3.6Å; M129-I134 VanDerWaalsContact SD-CG1 3.6Å; M129-K137 HydrophobicContact CE-CD 4.32Å
130F84.4Confident84.7Confident128 Ų12868.5 Ų68.556%0.56133%0.333SS*.  trans-81.5157.8-178.1-66.6-76.9000112.6G128 W132 E133 I134G128-F130 PolarHBondContact O-N 3.07Å; F130-W132 HydrophobicContact CB-CG 4.39Å; F130-W132 AromaticContact CG-NE1 3.86Å; F130-W132 PolarHBondContact O-N 3.15Å; F130-E133 HydrophobicContact CB-CG 4.4Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; F130-E133 PolarHBondContact N-OE2 3.15Å; F130-E133 PolarHBondContact O-N 3.23Å; F130-E133 VanDerWaalsContact O-N 3.1Å; F130-I134 WeakPolarHBondContact O-CG1 3.24Å; F130-I134 PolarHBondContact O-N 2.93Å
131S83.6Confident84.5Confident22 Ų2270 Ų7015%0.15434%0.342CS..Hα-helixtrans-59.9-16-179.7-52.60000115.3S161 L164S131-S161 VanDerWaalsContact CB-OG 3.25Å; S131-S161 WeakPolarHBondContact CB-OG 3.39Å; S131-S161 PolarHBondContact OG-OG 3.31Å; S131-L164 WeakPolarHBondContact OG-CD1 3.45Å
132W83.3Confident84Confident139 Ų13970.3 Ų70.353%0.52736%0.36SS..Hα-helixtrans-90.5-39.1174.865.3-92.8000111.9F130 I134 R135 D136 V157F130-W132 HydrophobicContact CB-CG 4.39Å; F130-W132 AromaticContact CG-NE1 3.86Å; F130-W132 PolarHBondContact O-N 3.15Å; W132-I134 VanDerWaalsContact C-N 3.32Å; W132-I134 PolarHBondContact O-N 3.02Å; W132-R135 VanDerWaalsContact O-CB 3.31Å; W132-R135 WeakPolarHBondContact O-CB 3.37Å; W132-R135 PolarHBondContact O-N 3.28Å; W132-R135 VanDerWaalsContact O-N 3.09Å; W132-D136 PolarHBondContact O-N 3.18Å; W132-V157 HydrophobicContact CB-CG2 4.42Å
133E87.1Confident83.4Confident66 Ų6672.4 Ų72.431%0.30837%0.372SS..Hα-helixtrans-63.1-39.9172.8-62.4171.9137.100111.2M129 F130 R135 D136 K137M129-E133 WeakPolarHBondContact CA-OE2 3.16Å; M129-E133 HydrophobicContact CG-CB 3.52Å; M129-E133 HydrophobicContact CG-CG 4.48Å; M129-E133 WeakPolarHBondContact CG-OE2 3.38Å; M129-E133 HydrophobicContact SD-CB 4.23Å; F130-E133 HydrophobicContact CB-CG 4.4Å; F130-E133 WeakPolarHBondContact CD2-OE2 3.48Å; F130-E133 PolarHBondContact N-OE2 3.15Å; F130-E133 PolarHBondContact O-N 3.23Å; F130-E133 VanDerWaalsContact O-N 3.1Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.36Å; E133-D136 PolarHBondContact O-N 3.12Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 2.79Å
134I85.3Confident82.7Confident0 Ų071.1 Ų71.10%037%0.368CS..Hα-helixtrans-59.4-41.4172.4-70172.1000110.7I119 Y122 K123 M129 F130 W132 K137 L138 I160 L164I119-I134 HydrophobicContact CB-CG2 4.33Å; I119-I134 HydrophobicContact CG1-CG2 3.88Å; I119-I134 HydrophobicContact CG2-CG2 4.22Å; Y122-I134 HydrophobicContact CD2-CG2 4.21Å; K123-I134 HydrophobicContact CB-CD1 4.4Å; K123-I134 HydrophobicContact CD-CD1 4.35Å; M129-I134 HydrophobicContact CB-CG1 4.38Å; M129-I134 HydrophobicContact CG-CG1 3.8Å; M129-I134 HydrophobicContact SD-CG1 3.6Å; M129-I134 VanDerWaalsContact SD-CG1 3.6Å; F130-I134 WeakPolarHBondContact O-CG1 3.24Å; F130-I134 PolarHBondContact O-N 2.93Å; W132-I134 VanDerWaalsContact C-N 3.32Å; W132-I134 PolarHBondContact O-N 3.02Å; I134-K137 PolarHBondContact O-N 2.95Å; I134-L138 HydrophobicContact CG2-CD1 4.28Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.21Å; I134-I160 HydrophobicContact CB-CG2 4.19Å; I134-I160 HydrophobicContact CD1-CG2 4.45Å; I134-I160 HydrophobicContact CG2-CD1 4.33Å; I134-I160 HydrophobicContact CG2-CG2 3.78Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 4.11Å
135R84.3Confident81.9Confident80 Ų8068.8 Ų68.830%0.30237%0.367SS..Hα-helixtrans-63.5-44.6176177.4-179.9178.4-124.42.2111.6W132 E133 K137 L138 L139 S155 I160W132-R135 VanDerWaalsContact O-CB 3.31Å; W132-R135 WeakPolarHBondContact O-CB 3.37Å; W132-R135 PolarHBondContact O-N 3.28Å; W132-R135 VanDerWaalsContact O-N 3.09Å; E133-R135 VanDerWaalsContact C-N 3.3Å; E133-R135 PolarHBondContact O-N 3.36Å; R135-K137 VanDerWaalsContact C-N 3.35Å; R135-L138 WeakPolarHBondContact O-CB 3.49Å; R135-L138 PolarHBondContact O-N 3.07Å; R135-L139 HydrophobicContact CG-CD1 4.07Å; R135-L139 WeakPolarHBondContact O-CG 3.41Å; R135-L139 PolarHBondContact O-N 3.41Å; R135-S155 WeakPolarHBondContact CD-O 3.42Å; R135-S155 VanDerWaalsContact CG-O 3.3Å; R135-S155 WeakPolarHBondContact CG-O 3.45Å; R135-S155 PolarHBondContact NE-O 3.18Å; R135-I160 HydrophobicContact CB-CD1 3.64Å; R135-I160 HydrophobicContact CG-CD1 4.39Å
136D82.4Confident80.9Confident77 Ų7775.4 Ų75.441%0.41239%0.388SS..Hα-helixtrans-71.4-31.8-178.2-68.3-11.1000111.5W132 E133 L139 K140W132-D136 PolarHBondContact O-N 3.18Å; E133-D136 PolarHBondContact O-N 3.12Å; D136-L139 PolarHBondContact O-N 2.97Å; D136-K140 VanDerWaalsContact O-CB 3.25Å; D136-K140 WeakPolarHBondContact O-CB 3.44Å; D136-K140 PolarHBondContact O-N 2.85Å
137K83.8Confident79.5Confident52 Ų5276.5 Ų76.523%0.22640%0.402CS..Hα-helixtrans-72.5-28.9169.7-162.3-178.1170.7-174.50113Y122 E125 M129 E133 I134 R135 D141Y122-K137 HydrophobicContact CD1-CD 3.66Å; Y122-K137 HydrophobicContact CD1-CG 4.45Å; Y122-K137 HydrophobicContact CD2-CB 3.9Å; Y122-K137 HydrophobicContact CD2-CD 3.81Å; Y122-K137 HydrophobicContact CD2-CG 4.03Å; Y122-K137 HydrophobicContact CE1-CD 3.62Å; Y122-K137 HydrophobicContact CE1-CG 4.01Å; Y122-K137 HydrophobicContact CE2-CB 3.57Å; Y122-K137 HydrophobicContact CE2-CD 3.78Å; Y122-K137 HydrophobicContact CE2-CG 3.55Å; Y122-K137 HydrophobicContact CG-CD 3.76Å; Y122-K137 HydrophobicContact CG-CG 4.46Å; Y122-K137 PolarHBondContact OH-O 3.36Å; Y122-K137 VanDerWaalsContact OH-O 3.11Å; E125-K137 IonicContact OE2-NZ 3.87Å; E125-K137 PolarHBondContact OE2-NZ 3.38Å; M129-K137 HydrophobicContact CE-CD 4.32Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 2.79Å; I134-K137 PolarHBondContact O-N 2.95Å; R135-K137 VanDerWaalsContact C-N 3.35Å; K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 2.96Å; K137-D141 VanDerWaalsContact O-N 3.14Å
138L84.5Confident78.1Confident0 Ų075.2 Ų75.20%039%0.393CS..Hα-helixtrans-69.3-38.6170.4-74.6169.2000111.8V115 R118 I119 Y122 I134 R135 V143 C144 I160V115-L138 HydrophobicContact CG1-CD1 4.03Å; V115-L138 HydrophobicContact CG1-CD2 4.36Å; R118-L138 HydrophobicContact CB-CD2 3.86Å; R118-L138 HydrophobicContact CG-CD2 3.72Å; I119-L138 HydrophobicContact CD1-CD1 4.33Å; I119-L138 HydrophobicContact CG1-CD1 3.87Å; Y122-L138 HydrophobicContact CD2-CG 4.49Å; Y122-L138 HydrophobicContact CE2-CD2 3.92Å; Y122-L138 HydrophobicContact CE2-CG 3.92Å; I134-L138 HydrophobicContact CG2-CD1 4.28Å; I134-L138 VanDerWaalsContact O-CG 3.26Å; I134-L138 WeakPolarHBondContact O-CG 3.22Å; I134-L138 PolarHBondContact O-N 3.21Å; R135-L138 WeakPolarHBondContact O-CB 3.49Å; R135-L138 PolarHBondContact O-N 3.07Å; L138-V143 HydrophobicContact CD2-CB 4.05Å; L138-V143 HydrophobicContact CD2-CG1 3.95Å; L138-V143 PolarHBondContact O-N 2.97Å; L138-C144 PolarHBondContact O-N 3.31Å; L138-I160 HydrophobicContact CD1-CD1 4.21Å
139L82.9Confident76.5Confident50 Ų5074.3 Ų74.326%0.26238%0.375SS..Hα-helixtrans-69.5-42.5174.9-73.7161.2000111.8R135 D136 G142 C144 R146R135-L139 HydrophobicContact CG-CD1 4.07Å; R135-L139 WeakPolarHBondContact O-CG 3.41Å; R135-L139 PolarHBondContact O-N 3.41Å; D136-L139 PolarHBondContact O-N 2.97Å; L139-G142 PolarHBondContact O-N 2.97Å; L139-C144 WeakPolarHBondContact CD2-O 3.35Å; L139-R146 HydrophobicContact CD2-CB 4.31Å
140K83.8Confident74.5Confident180 Ų18076.8 Ų76.878%0.78339%0.393SS*.Hα-helixtrans-65.1-41-179.9-175.5-179.3179.1-177.10112.6D136 G142D136-K140 VanDerWaalsContact O-CB 3.25Å; D136-K140 WeakPolarHBondContact O-CB 3.44Å; D136-K140 PolarHBondContact O-N 2.85Å; K140-G142 PolarHBondContact O-N 3.09Å
141D82.6Confident72.7Confident65 Ų6577 Ų7735%0.34841%0.41SS..THydrogen-bonded Turntrans-86.59.2-176.8-65.819.8000112.3R118 Y122 K137 V143R118-D141 IonicContact CZ-OD2 3.65Å; R118-D141 IonicContact NH2-OD2 2.69Å; R118-D141 PolarHBondContact NH2-OD2 3.01Å; Y122-D141 WeakPolarHBondContact OH-CB 3.3Å; Y122-D141 VanDerWaalsContact OH-CG 3.32Å; Y122-D141 PolarHBondContact OH-OD2 3.46Å; K137-D141 WeakPolarHBondContact O-CB 3.4Å; K137-D141 PolarHBondContact O-N 2.96Å; K137-D141 VanDerWaalsContact O-N 3.14Å; D141-V143 HydrophobicContact CB-CG2 4.18Å; D141-V143 PolarHBondContact O-N 2.62Å
142G76.9Confident71.2Confident61 Ų6178 Ų7863%0.62942%0.424SS*.THydrogen-bonded Turntrans71.810.5175.700000115.5L139 K140 C144L139-G142 PolarHBondContact O-N 2.97Å; K140-G142 PolarHBondContact O-N 3.09Å; G142-C144 VanDerWaalsContact C-N 3.31Å
143V74.1Confident70Confident43 Ų4375.5 Ų75.526%0.26142%0.418SS..SBendtrans-80.6-14.3-175.7-172.90000111.9V115 R118 L138 D141V115-V143 HydrophobicContact CG2-CG1 4.13Å; R118-V143 HydrophobicContact CB-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG1 4.31Å; R118-V143 HydrophobicContact CG-CG2 4.25Å; L138-V143 HydrophobicContact CD2-CB 4.05Å; L138-V143 HydrophobicContact CD2-CG1 3.95Å; L138-V143 PolarHBondContact O-N 2.97Å; D141-V143 HydrophobicContact CB-CG2 4.18Å; D141-V143 PolarHBondContact O-N 2.62Å
144C70.8Confident68.5Low13 Ų1373 Ų739%0.08841%0.408CS..SBendtrans-142.8130.9172.4-71.80000110.5L138 L139 G142L138-C144 PolarHBondContact O-N 3.31Å; L139-C144 WeakPolarHBondContact CD2-O 3.35Å; G142-C144 VanDerWaalsContact C-N 3.31Å
145D71.1Confident67.3Low105 Ų10573 Ų7356%0.56141%0.409SS*.  trans-78.5142.9176.3-79.5-56.2000112.6S147 T148D145-S147 PolarHBondContact O-N 3.3Å; D145-T148 HydrophobicContact CB-CG2 4.16Å; D145-T148 PolarHBondContact N-OG1 2.8Å; D145-T148 PolarHBondContact O-N 2.97Å; D145-T148 VanDerWaalsContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 3.21Å
146R63.8Low66.7Low232 Ų23270 Ų7088%0.87540%0.4SS*.THydrogen-bonded Turntrans-63.8-21.1177.7-164.7171.7-175.3148.20.6113.5L139L139-R146 HydrophobicContact CD2-CB 4.31Å
147S55.1Low66.3Low104 Ų10469.1 Ų69.173%0.72740%0.397SS*.THydrogen-bonded Turntrans-83.1-28.2174.651.90000113.2D145 V149D145-S147 PolarHBondContact O-N 3.3Å; S147-V149 PolarHBondContact O-N 2.9Å
148T53.6Low66Low72 Ų7269.7 Ų69.744%0.44241%0.407SS..SBendtrans-79.633.5178.9550000113.8D145 P150 E153D145-T148 HydrophobicContact CB-CG2 4.16Å; D145-T148 PolarHBondContact N-OG1 2.8Å; D145-T148 PolarHBondContact O-N 2.97Å; D145-T148 VanDerWaalsContact O-N 3.08Å; D145-T148 PolarHBondContact O-OG1 3.21Å; T148-P150 VanDerWaalsContact C-CD 3.41Å; T148-E153 WeakPolarHBondContact O-CB 3.43Å
149V50.1Low65.5Low43 Ų4370.1 Ų70.126%0.26141%0.41SS..  trans-125.262.7-177.9-158.50000114.2S147S147-V149 PolarHBondContact O-N 2.9Å
150P42Very low65.4Low81 Ų8167.7 Ų67.753%0.52640%0.398SS..SBendtrans-61.1160.3144.8-11.426.9000110.6T148 G152 E153T148-P150 VanDerWaalsContact C-CD 3.41Å; P150-G152 PolarHBondContact O-N 2.76Å; P150-E153 HydrophobicContact CG-CG 4.41Å; P150-E153 PolarHBondContact O-N 2.75Å
151S46.2Very low65.3Low131 Ų13160.2 Ų60.292%0.91637%0.368SS*.THydrogen-bonded Turntrans-67.821.5-177.1-48.10000116.1
152G52Low65.1Low43 Ų4363.9 Ų63.944%0.44338%0.377SS..THydrogen-bonded Turntrans-131.31.3-176.500000115.9V110 P150V110-G152 VanDerWaalsContact CG1-O 3.27Å; V110-G152 WeakPolarHBondContact CG1-O 3.16Å; P150-G152 PolarHBondContact O-N 2.76Å
153E57Low65.3Low88 Ų8861.8 Ų61.841%0.41135%0.352SS..SBendtrans-98.7175.3-170.7-68.5-56.6150.500115.3T148 P150 S155 S156 S159T148-E153 WeakPolarHBondContact O-CB 3.43Å; P150-E153 HydrophobicContact CG-CG 4.41Å; P150-E153 PolarHBondContact O-N 2.75Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.32Å; E153-S156 PolarHBondContact O-N 3.38Å; E153-S159 PolarHBondContact O-OG 3.34Å
154A57.2Low65.7Low12 Ų1260.6 Ų60.610%0.09934%0.344CS..THydrogen-bonded Turntrans-46.6-49.6-173.600000114.3V110 A111 V115 S156 S159V110-A154 WeakPolarHBondContact O-CA 3.48Å; V110-A154 WeakPolarHBondContact O-CB 3.42Å; V110-A154 PolarHBondContact O-N 3.04Å; A111-A154 HydrophobicContact CB-CB 4.13Å; V115-A154 HydrophobicContact CB-CB 4.39Å; V115-A154 HydrophobicContact CG1-CB 3.98Å; V115-A154 HydrophobicContact CG2-CB 4.42Å; A154-S156 VanDerWaalsContact C-N 3.28Å; A154-S156 PolarHBondContact O-N 3.29Å; A154-S159 WeakPolarHBondContact O-CB 3.45Å
155S58.7Low66.2Low2 Ų267.5 Ų67.51%0.01437%0.369CS..THydrogen-bonded Turntrans-83.73.5-170.657.90000113.7R135 E153R135-S155 WeakPolarHBondContact CD-O 3.42Å; R135-S155 VanDerWaalsContact CG-O 3.3Å; R135-S155 WeakPolarHBondContact CG-O 3.45Å; R135-S155 PolarHBondContact NE-O 3.18Å; E153-S155 VanDerWaalsContact C-N 3.33Å; E153-S155 PolarHBondContact O-N 3.32Å
156S71.6Confident66.5Low16 Ų1666.3 Ų66.311%0.11237%0.373CS..  trans-65.2139.3174.699.80000110.1E153 A154 S158 S159 I160E153-S156 PolarHBondContact O-N 3.38Å; A154-S156 VanDerWaalsContact C-N 3.28Å; A154-S156 PolarHBondContact O-N 3.29Å; S156-S158 PolarHBondContact O-N 3.03Å; S156-S158 VanDerWaalsContact O-N 3.07Å; S156-S158 PolarHBondContact OG-N 3.05Å; S156-S159 WeakPolarHBondContact O-CA 3.17Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.82Å; S156-S159 WeakPolarHBondContact OG-CB 3.3Å; S156-S159 PolarHBondContact OG-N 3.19Å; S156-S159 PolarHBondContact OG-OG 3.48Å; S156-I160 PolarHBondContact O-N 2.9Å
157V75.4Confident66.9Low58 Ų5862.8 Ų62.835%0.35236%0.36SS..Hα-helixtrans-57.5-28.3178.5-175.10000111.3W132 S161W132-V157 HydrophobicContact CB-CG2 4.42Å; V157-S161 VanDerWaalsContact O-CB 3.25Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; V157-S161 PolarHBondContact O-OG 2.61Å
158S76.1Confident67.7Low64 Ų6461.1 Ų61.145%0.44834%0.34SS..Hα-helixtrans-74.8-32.6174.1-1760000113.5S156 R162S156-S158 PolarHBondContact O-N 3.03Å; S156-S158 VanDerWaalsContact O-N 3.07Å; S156-S158 PolarHBondContact OG-N 3.05Å; S158-R162 WeakPolarHBondContact O-CG 3.49Å; S158-R162 PolarHBondContact O-N 2.77Å; S158-R162 PolarHBondContact O-NE 3.28Å; S158-R162 PolarHBondContact OG-NH2 3.16Å
159S75.3Confident68Low9 Ų959.9 Ų59.96%0.06334%0.342CS..Hα-helixtrans-70.2-51.7172.8-56.20000109.8E153 A154 S156 S161 R162 V163E153-S159 PolarHBondContact O-OG 3.34Å; A154-S159 WeakPolarHBondContact O-CB 3.45Å; S156-S159 WeakPolarHBondContact O-CA 3.17Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.82Å; S156-S159 WeakPolarHBondContact OG-CB 3.3Å; S156-S159 PolarHBondContact OG-N 3.19Å; S156-S159 PolarHBondContact OG-OG 3.48Å; S159-S161 PolarHBondContact O-N 3.24Å; S159-R162 WeakPolarHBondContact O-CA 3.49Å; S159-R162 WeakPolarHBondContact O-CB 3.47Å; S159-R162 PolarHBondContact O-N 3.35Å; S159-V163 PolarHBondContact O-N 3.29Å
160I79.6Confident68.3Low0 Ų066 Ų660%036%0.364CS..Hα-helixtrans-55.9-48.9176.6-64.9163.8000110.5I119 I134 R135 L138 S156 R162 V163 L164I119-I160 HydrophobicContact CD1-CB 4.47Å; I119-I160 HydrophobicContact CD1-CG1 3.84Å; I119-I160 HydrophobicContact CG1-CG1 4.35Å; I119-I160 HydrophobicContact CG2-CG2 4.24Å; I134-I160 HydrophobicContact CB-CG2 4.19Å; I134-I160 HydrophobicContact CD1-CG2 4.45Å; I134-I160 HydrophobicContact CG2-CD1 4.33Å; I134-I160 HydrophobicContact CG2-CG2 3.78Å; R135-I160 HydrophobicContact CB-CD1 3.64Å; R135-I160 HydrophobicContact CG-CD1 4.39Å; L138-I160 HydrophobicContact CD1-CD1 4.21Å; S156-I160 PolarHBondContact O-N 2.9Å; I160-R162 PolarHBondContact O-N 3.11Å; I160-R162 VanDerWaalsContact O-N 3.17Å; I160-V163 PolarHBondContact O-N 3.01Å; I160-V163 VanDerWaalsContact O-N 3.12Å; I160-L164 HydrophobicContact CG2-CD1 3.96Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 2.91Å
161S82.1Confident68.7Low23 Ų2368.5 Ų68.516%0.16137%0.367CS..Hα-helixtrans-64-21.7178.2-56.20000114S131 V157 S159 R165S131-S161 VanDerWaalsContact CB-OG 3.25Å; S131-S161 WeakPolarHBondContact CB-OG 3.39Å; S131-S161 PolarHBondContact OG-OG 3.31Å; V157-S161 VanDerWaalsContact O-CB 3.25Å; V157-S161 WeakPolarHBondContact O-CB 3.38Å; V157-S161 PolarHBondContact O-N 3.48Å; V157-S161 PolarHBondContact O-OG 2.61Å; S159-S161 PolarHBondContact O-N 3.24Å; S161-R165 WeakPolarHBondContact O-CG 3.42Å; S161-R165 VanDerWaalsContact O-CZ 3.25Å; S161-R165 PolarHBondContact O-N 3.49Å; S161-R165 PolarHBondContact O-NH1 3.23Å
162R79.1Confident68.9Low142 Ų14268.7 Ų68.754%0.53636%0.358SS..Hα-helixtrans-78.3-43.7171.9-83.8174.3-91.3174.9-9111.5S158 S159 I160 R165 A166S158-R162 WeakPolarHBondContact O-CG 3.49Å; S158-R162 PolarHBondContact O-N 2.77Å; S158-R162 PolarHBondContact O-NE 3.28Å; S158-R162 PolarHBondContact OG-NH2 3.16Å; S159-R162 WeakPolarHBondContact O-CA 3.49Å; S159-R162 WeakPolarHBondContact O-CB 3.47Å; S159-R162 PolarHBondContact O-N 3.35Å; I160-R162 PolarHBondContact O-N 3.11Å; I160-R162 VanDerWaalsContact O-N 3.17Å; R162-R165 PolarHBondContact O-N 2.92Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.14Å
163V81.6Confident68.8Low17 Ų1773.9 Ų73.910%0.10338%0.376CS..Hα-helixtrans-58.9-48.6173.4176.20000110.3E116 I119 S159 I160 R165 A166 R167E116-V163 HydrophobicContact CG-CG2 4.32Å; I119-V163 HydrophobicContact CB-CG1 4.49Å; I119-V163 HydrophobicContact CD1-CG2 4.48Å; I119-V163 HydrophobicContact CG2-CB 4.46Å; I119-V163 HydrophobicContact CG2-CG1 4Å; S159-V163 PolarHBondContact O-N 3.29Å; I160-V163 PolarHBondContact O-N 3.01Å; I160-V163 VanDerWaalsContact O-N 3.12Å; V163-R165 PolarHBondContact O-N 3.37Å; V163-A166 PolarHBondContact O-N 3.13Å; V163-A166 VanDerWaalsContact O-N 3.16Å; V163-R167 HydrophobicContact CG1-CG 4.46Å; V163-R167 VanDerWaalsContact O-CG 3.3Å; V163-R167 WeakPolarHBondContact O-CG 3.27Å; V163-R167 PolarHBondContact O-N 3.49Å
164L81.7Confident68.6Low17 Ų1777.1 Ų77.19%0.08939%0.391CS..Hα-helixtrans-57.7-49.2178.8-68.8176.6000112.6I119 K123 S131 I134 I160 A166 R167 F168 G169I119-L164 HydrophobicContact CG2-CD2 3.88Å; I119-L164 HydrophobicContact CG2-CG 4.27Å; K123-L164 HydrophobicContact CB-CD2 3.86Å; K123-L164 HydrophobicContact CD-CD2 4.11Å; K123-L164 HydrophobicContact CG-CD2 3.73Å; S131-L164 WeakPolarHBondContact OG-CD1 3.45Å; I134-L164 HydrophobicContact CD1-CD1 3.98Å; I134-L164 HydrophobicContact CD1-CD2 4.11Å; I160-L164 HydrophobicContact CG2-CD1 3.96Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 WeakPolarHBondContact O-CG 3.47Å; I160-L164 PolarHBondContact O-N 2.91Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 2.95Å; L164-R167 PolarHBondContact O-N 3.33Å; L164-F168 HydrophobicContact CD2-CD2 4.03Å; L164-F168 HydrophobicContact CD2-CE2 4.14Å; L164-F168 WeakPolarHBondContact O-CB 3.35Å; L164-F168 PolarHBondContact O-N 2.94Å; L164-G169 PolarHBondContact O-N 2.96Å
165R80.6Confident68Low159 Ų15982.2 Ų82.260%0.642%0.416SS*.Hα-helixtrans-64.3-34.4176.9-75.4-170.3-61.9-90.41.6113.1S161 R162 V163 R167 G169S161-R165 WeakPolarHBondContact O-CG 3.42Å; S161-R165 VanDerWaalsContact O-CZ 3.25Å; S161-R165 PolarHBondContact O-N 3.49Å; S161-R165 PolarHBondContact O-NH1 3.23Å; R162-R165 PolarHBondContact O-N 2.92Å; V163-R165 PolarHBondContact O-N 3.37Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.88Å; R165-G169 PolarHBondContact O-N 3.19Å
166A76.9Confident67.4Low80 Ų8089.9 Ų89.966%0.66146%0.457SS*.Hα-helixtrans-74.1-12.8179.600000114.3R162 V163 L164R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.14Å; V163-A166 PolarHBondContact O-N 3.13Å; V163-A166 VanDerWaalsContact O-N 3.16Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 2.95Å
167R73.5Confident65.8Low158 Ų15894.9 Ų94.960%0.59649%0.491SS*.Hα-helixtrans-125-31.1-171.8-58.1-70.6-92.8164.20.8114.1E120 V163 L164 R165E120-R167 VanDerWaalsContact CD-NH2 3.28Å; E120-R167 IonicContact OE1-CZ 2.72Å; E120-R167 IonicContact OE1-NE 3.35Å; E120-R167 PolarHBondContact OE1-NE 3.15Å; E120-R167 IonicContact OE1-NH2 2.62Å; E120-R167 PolarHBondContact OE1-NH2 3.13Å; E120-R167 IonicContact OE2-CZ 3.78Å; E120-R167 IonicContact OE2-NE 2.78Å; E120-R167 IonicContact OE2-NH2 2.6Å; E120-R167 PolarHBondContact OE2-NH2 2.83Å; V163-R167 HydrophobicContact CG1-CG 4.46Å; V163-R167 VanDerWaalsContact O-CG 3.3Å; V163-R167 WeakPolarHBondContact O-CG 3.27Å; V163-R167 PolarHBondContact O-N 3.49Å; L164-R167 PolarHBondContact O-N 3.33Å; R165-R167 VanDerWaalsContact C-N 3.26Å; R165-R167 PolarHBondContact O-N 2.88Å
168F71.3Confident64.5Low68 Ų6899.3 Ų99.330%0.29851%0.512SS..THydrogen-bonded Turntrans-114-35.6-179.9-62.4-90.4000112.9E120 K123 L164 K170 K171E120-F168 HydrophobicContact CB-CZ 4.48Å; E120-F168 HydrophobicContact CG-CE2 4.21Å; K123-F168 HydrophobicContact CB-CE1 4.35Å; K123-F168 HydrophobicContact CB-CE2 3.91Å; K123-F168 HydrophobicContact CB-CZ 3.78Å; K123-F168 HydrophobicContact CG-CD1 4.24Å; K123-F168 HydrophobicContact CG-CD2 4.12Å; K123-F168 HydrophobicContact CG-CE1 4.04Å; K123-F168 HydrophobicContact CG-CE2 3.92Å; K123-F168 HydrophobicContact CG-CG 4.28Å; K123-F168 HydrophobicContact CG-CZ 3.88Å; L164-F168 HydrophobicContact CD2-CD2 4.03Å; L164-F168 HydrophobicContact CD2-CE2 4.14Å; L164-F168 WeakPolarHBondContact O-CB 3.35Å; L164-F168 PolarHBondContact O-N 2.94Å; F168-K170 PolarHBondContact O-N 3.14Å; F168-K171 PolarHBondContact O-N 2.95Å
169G60.8Low63.1Low47 Ų47105.5 Ų105.549%0.48553%0.531SS..THydrogen-bonded Turntrans-72.841.7-178.200000115.2L164 R165L164-G169 PolarHBondContact O-N 2.96Å; R165-G169 PolarHBondContact O-N 3.19Å
170K55.4Low61.4Low170 Ų170114.5 Ų114.574%0.73957%0.569SS**THydrogen-bonded Turntrans-152.723.4175.8-152.2-137.2173.8-135.90112.3F168F168-K170 PolarHBondContact O-N 3.14Å
171K51.7Low59.3Low134 Ų134121.4 Ų121.458%0.58361%0.606SS**SBendtrans-130.7-0.9-178.3-146.9-165.5177.9-81.80114.2F168 D175F168-K171 PolarHBondContact O-N 2.95Å; K171-D175 IonicContact NZ-OD2 2.71Å; K171-D175 PolarHBondContact NZ-OD2 3.18Å
172D48.5Very low57.4Low136 Ų136129.3 Ų129.373%0.72764%0.64SS**SBendtrans-95.41.7-172.9-51.6-43.4000112.8
173D50Low55.4Low152 Ų152130.6 Ų130.681%0.81366%0.658SS**SBendtrans-109.8-5.4-174.6-62.7-70.1000114.7
174E53.3Low53.1Low155 Ų155132.9 Ų132.972%0.72469%0.685SS**SBendtrans-123.2-4.6-169.9-69.9-179.7178.500115.2
175D44.4Very low51.2Low119 Ų119139 Ų13964%0.63671%0.713SS**SBendtrans-110.95.8-170.6-81.4-42.8000115.5K171K171-D175 IonicContact NZ-OD2 2.71Å; K171-D175 PolarHBondContact NZ-OD2 3.18Å
176D45.9Very low49.7Very low164 Ų164139.3 Ų139.388%0.87772%0.718SS**  trans-126.760.7-176.2-168.741.2000114.6
177C38.5Very low47.9Very low120 Ų120145.4 Ų145.481%0.81173%0.73SS**  trans-150.838.1172.953.50000115.5
178D48Very low46.5Very low151 Ų151144.2 Ų144.281%0.80774%0.741SS**  trans-124.269.8172.8-161.7-6.9000112.6
179K47.2Very low45.6Very low195 Ų195149.7 Ų149.785%0.84877%0.765SS**  trans176.4104.4156.5-99.8149.4-169155.60112.3
180K38.7Very low45.3Very low198 Ų198156.7 Ų156.786%0.86178%0.784SS**  176.3154.1119.7-97.9167.1-176.8177.70113
181D37.3Very low44.7Very low144 Ų144153.3 Ų153.377%0.7778%0.782SS**  trans-89.6166.8-163.3-41.9-98.8000114
182E41Very low44.8Very low189 Ų189154 Ų15488%0.88379%0.79SS**  trans53.7129.9155.8-65.9-167.6118.300123.1
183D36.8Very low45.1Very low170 Ų170154 Ų15491%0.90979%0.79SS**  trans65.3171.6148.7-158.422.3000119
184G34Very low45Very low64 Ų64150.1 Ų150.166%0.6679%0.787SS**  trans107.369.1166.300000116.6
185E41.1Very low44.8Very low146 Ų146149.5 Ų149.568%0.68279%0.787SS**  trans-28.8167.3170.1-42.6167.36800121
186K48.9Very low45.1Very low165 Ų165152 Ų15272%0.71780%0.799SS**  trans71.686.5156-47.6-178.6-164.6870118.6
187K40Very low44.9Very low208 Ų208147.1 Ų147.190%0.90479%0.787SS**  trans-125.5122.3148.9-78-177.5-179.5166.40113.3
188T44.7Very low45.1Very low134 Ų134148 Ų14882%0.82278%0.784SS**  trans-6125164.851.40000118.1
189K52Low44.7Very low183 Ų183150.5 Ų150.580%0.79679%0.788SS**SBendtrans-59.5164.6159.3-61.9175-178.1177.10110.2
190H53.9Low43.9Very low194 Ų194145.5 Ų145.590%0.89878%0.776SS**  trans79.552.4-179.7-39.3-68.8000116.1
191S43.8Very low43.6Very low99 Ų99140.7 Ų140.769%0.69277%0.767SS**  trans-96.8150.2150.7-171.90000110D193S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 3.41Å
192I53.3Low43.4Very low147 Ų147144.4 Ų144.475%0.75477%0.77SS**G310 helixtrans-73.8-13.9-166.2-165.8162.9000114.8G194I192-G194 VanDerWaalsContact C-N 3.31Å; I192-G194 PolarHBondContact O-N 2.87Å
193D54.1Low43.1Very low137 Ų137142 Ų14273%0.73377%0.769SS**G310 helixtrans-62.7-34.6-175.2-153.453.5000113.1S191 I195 L196S191-D193 VanDerWaalsContact C-N 3.29Å; S191-D193 PolarHBondContact O-N 3.41Å; D193-I195 PolarHBondContact O-N 3.41Å; D193-L196 PolarHBondContact O-N 2.89Å
194G48.9Very low43Very low71 Ų71141.7 Ų141.773%0.73277%0.767SS**G310 helixtrans-72.215.2-177.800000116.6I192I192-G194 VanDerWaalsContact C-N 3.31Å; I192-G194 PolarHBondContact O-N 2.87Å
195I49.5Very low43Very low142 Ų142146.6 Ų146.673%0.72878%0.778SS**G310 helixtrans-108.3-18.7179.1-65.8179.3000112.4D193D193-I195 PolarHBondContact O-N 3.41Å
196L48.8Very low42.9Very low172 Ų172142.5 Ų142.590%0.90178%0.776SS**THydrogen-bonded Turntrans-118.7-2-179.6-71.5165.7000113.7D193 D198D193-L196 PolarHBondContact O-N 2.89Å; L196-D198 PolarHBondContact O-N 3.33Å
197G41.8Very low42.2Very low60 Ų60140.1 Ų140.162%0.61978%0.78SS**SBendtrans-87.5100.8178.100000114.3
198D43.8Very low42.4Very low139 Ų139137.1 Ų137.174%0.74377%0.774SS**  trans61.7122.3153.8-145.8-60.6000121L196 C200L196-D198 PolarHBondContact O-N 3.33Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 2.71Å
199K38.6Very low42.1Very low204 Ų204137 Ų13789%0.88777%0.772SS**  trans-146.877137.8-164.2171.4-178.6176.20113
200C31.3Very low41.7Very low89 Ų89134.7 Ų134.760%0.60177%0.769SS**  trans17.5125.5133.7-174.90000118.8D198D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 2.71Å
201S32.1Very low40.9Very low97 Ų97130.7 Ų130.768%0.67876%0.763SS**  172.9110.7105.7-177.10000116.2
202R34Very low40.7Very low222 Ų222133 Ų13384%0.83876%0.762SS**  39.4107.3128.7-47.5169.285.51596.9120.6
203T33.8Very low40.5Very low138 Ų138131 Ų13185%0.84776%0.759SS**  -151.8127.4120.437.60000104.9
204D34.4Very low39.8Very low164 Ų164130.1 Ų130.188%0.87775%0.754SS**  cis68.977.140.9-149.4-122.2000113.4
205D33.9Very low39.4Very low167 Ų167133.7 Ų133.789%0.89376%0.756SS**  trans-153.6153.6141.8-172.6-153.5000108
206G40.2Very low39Very low61 Ų61131.2 Ų131.263%0.62975%0.749SS**  trans-107.7142.8-164.900000115.5
207S33.1Very low38.6Very low115 Ų115130.4 Ų130.480%0.80475%0.745SS**  trans-154.296.9152.222.90000111.1
208D45Very low38.6Very low145 Ų145136.7 Ų136.778%0.77576%0.755SS**  trans-64.9129.3163.5170.425.4000110D210D208-D210 PolarHBondContact OD1-N 2.78Å; D208-D210 VanDerWaalsContact OD1-N 3.12Å
209V37.8Very low38.6Very low130 Ų130141 Ų14179%0.78876%0.761SS**  trans-147.766.8165.3-80.20000109.6S211V209-S211 PolarHBondContact O-N 2.92Å
210D44.7Very low38.8Very low135 Ų135141.1 Ų141.172%0.72276%0.761SS**  trans-55.2124.7161.9-176.7-114.2000110.8D208D208-D210 PolarHBondContact OD1-N 2.78Å; D208-D210 VanDerWaalsContact OD1-N 3.12Å
211S35.7Very low39.5Very low111 Ų111144.8 Ų144.878%0.77677%0.77SS**  trans-168.856.4174.4-80.40000111.6V209V209-S211 PolarHBondContact O-N 2.92Å
212E41Very low40.6Very low146 Ų146149.2 Ų149.268%0.68277%0.772SS**  trans-64.6144145.7-107-81121.400108D214E212-D214 PolarHBondContact OE1-N 3.08Å; E212-D214 PolarHBondContact OE2-N 3.06Å
213P47.3Very low41.9Very low107 Ų107150.1 Ų150.170%0.69578%0.775SS**  -142.8144.883.535.9-19.8000116L215P213-L215 PolarHBondContact O-N 2.95Å
214D40.9Very low43.1Very low117 Ų117148.2 Ų148.263%0.62677%0.768SS**  trans-30.9100.2168.9-179.520.1000113.5E212 P216E212-D214 PolarHBondContact OE1-N 3.08Å; E212-D214 PolarHBondContact OE2-N 3.06Å; D214-P216 WeakPolarHBondContact O-CD 3.44Å
215L39.1Very low45.4Very low146 Ų146150.6 Ų150.676%0.76476%0.764SS**  trans-87.7102.6159.8-76.1177.4000107.8P213 L217P213-L215 PolarHBondContact O-N 2.95Å; L215-L217 PolarHBondContact O-N 2.82Å
216P41.8Very low47.8Very low91 Ų91144.8 Ų144.859%0.59174%0.735SS**  trans-65.695.8-178.324.9-35.4000109.9D214 K218D214-P216 WeakPolarHBondContact O-CD 3.44Å; P216-K218 VanDerWaalsContact C-N 3.31Å; P216-K218 PolarHBondContact O-N 3.31Å
217L41.2Very low50.1Low154 Ų154147.7 Ų147.781%0.80674%0.741SS**  trans-62.289.6-178.1-70.4178.9000109.7L215 R219L215-L217 PolarHBondContact O-N 2.82Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.85Å
218K41.5Very low52.9Low192 Ų192145.2 Ų145.284%0.83572%0.716SS**  trans-57.993.4179.2-78.9-177.8176.9173.60109.7P216 K220P216-K218 VanDerWaalsContact C-N 3.31Å; P216-K218 PolarHBondContact O-N 3.31Å; K218-K220 PolarHBondContact O-N 3.35Å
219R42.3Very low55.3Low231 Ų231141.6 Ų141.687%0.87270%0.699SS**  trans-45.9100.1178.7-56.2178.9-165.992.74.5108.7L217 Q221L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.85Å; R219-Q221 PolarHBondContact O-N 3.47Å
220K44.4Very low57.9Low205 Ų205139.4 Ų139.489%0.89169%0.694SS**  trans-72.797.8-171.5-133.2163.8-172.1167.50107.4K218 R222K218-K220 PolarHBondContact O-N 3.35Å; K220-R222 PolarHBondContact O-N 3.34Å
221Q44.9Very low60.3Low166 Ų166140 Ų14078%0.77669%0.693SS**  trans-51.6106.9-166.2-176.867.8-10.900110.5R219 R223R219-Q221 PolarHBondContact O-N 3.47Å; Q221-R223 PolarHBondContact O-N 3.33Å
222R54.8Low63.2Low191 Ų191136.1 Ų136.172%0.72166%0.662SS**  trans-56.5114-171.8173.2173150-110.6-4109.2K220 S224K220-R222 PolarHBondContact O-N 3.34Å; R222-S224 PolarHBondContact O-N 3.21Å; R222-S224 VanDerWaalsContact O-N 3.15Å
223R61.3Low65.9Low240 Ų240131.9 Ų131.991%0.90664%0.644SS**  trans-43.4118.5-166.5-171.6-178.5-68.6-125.53.8111.2Q221 R225Q221-R223 PolarHBondContact O-N 3.33Å; R223-R225 PolarHBondContact O-N 2.78Å
224S60.8Low68.2Low99 Ų99133.5 Ų133.569%0.69264%0.642SS**PPolyproline II helixtrans-50.8130.6-168.4-57.90000112.3R222 T226R222-S224 PolarHBondContact O-N 3.21Å; R222-S224 VanDerWaalsContact O-N 3.15Å; S224-T226 PolarHBondContact O-N 2.82Å
225R82.8Confident70.9Confident214 Ų214130.1 Ų130.181%0.80862%0.623SS**PPolyproline II helixtrans-70.9124.1175.4-178.9-175.4177.7103.73.7108.7R223 T227R223-R225 PolarHBondContact O-N 2.78Å; R225-T227 PolarHBondContact O-N 2.99Å
226T83.5Confident73.6Confident45 Ų45123.1 Ų123.128%0.27659%0.586SS.*PPolyproline II helixtrans-54119.7170.3-45.60000110.4S224 L260 R264S224-T226 PolarHBondContact O-N 2.82Å; T226-L260 HydrophobicContact CG2-CD2 4.18Å; T226-R264 WeakPolarHBondContact OG1-CD 3.35Å
227T88.3Confident76.3Confident122 Ų122121.7 Ų121.775%0.74857%0.572SS**PPolyproline II helixtrans-100.5126.816645.80000107.7R225R225-T227 PolarHBondContact O-N 2.99Å
228F92.4Very high78.9Confident63 Ų63120 Ų12028%0.27656%0.557SS.*PPolyproline II helixtrans-83.8143.2177.1-55.3-98000109.3Q232 L233 L236 L260 W268F228-Q232 VanDerWaalsContact CA-OE1 3.3Å; F228-Q232 HydrophobicContact CB-CB 4.38Å; F228-L233 HydrophobicContact CB-CD1 4.29Å; F228-L233 HydrophobicContact CB-CD2 3.74Å; F228-L233 HydrophobicContact CB-CG 3.73Å; F228-L233 HydrophobicContact CD2-CD2 4.43Å; F228-L233 HydrophobicContact CG-CD2 4.02Å; F228-L236 HydrophobicContact CD1-CD1 4.06Å; F228-L236 HydrophobicContact CE1-CD1 4.11Å; F228-L260 HydrophobicContact CD1-CD1 3.69Å; F228-L260 HydrophobicContact CE1-CD1 3.64Å; F228-W268 HydrophobicContact CE1-CB 4.24Å; F228-W268 AromaticContact CE1-CD1 3.74Å; F228-W268 HydrophobicContact CE1-CG 4.28Å; F228-W268 AromaticContact CE2-CD1 3.96Å; F228-W268 HydrophobicContact CZ-CB 4.06Å; F228-W268 AromaticContact CZ-CD1 3.65Å; F228-W268 HydrophobicContact CZ-CG 4.24Å
229T94.6Very high81.6Confident69 Ų69111.4 Ų111.442%0.42352%0.523SS..PPolyproline II helixtrans-74.1170.5167.669.30000110.7Q232 L233T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.44Å; T229-Q232 VanDerWaalsContact OG1-CG 3.22Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.36Å; T229-Q232 PolarHBondContact OG1-N 2.98Å; T229-Q232 VanDerWaalsContact OG1-N 3.12Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 2.76Å; T229-L233 VanDerWaalsContact O-N 3.13Å
230A93.8Very high84.2Confident84 Ų84100.6 Ų100.669%0.69448%0.482SS*.Hα-helixtrans-62.1-51.8174.900000111.5Q232 L233 E234A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.19Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 WeakPolarHBondContact O-CA 3.5Å; A230-L233 WeakPolarHBondContact O-CB 3.41Å; A230-L233 PolarHBondContact O-N 2.81Å; A230-E234 PolarHBondContact O-N 3.2Å
231E94.6Very high86.7Confident147 Ų14798.1 Ų98.169%0.68747%0.474SS*.Hα-helixtrans-50.4-46.4172.9178.3-166.6-164.700112.8L233 E234 E235E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.26Å; E231-E234 PolarHBondContact O-N 3.25Å; E231-E235 PolarHBondContact O-N 3.49Å; E231-E235 VanDerWaalsContact O-N 3.16Å
232Q95.8Very high89.1Confident29 Ų29100.9 Ų100.914%0.13648%0.477CS..Hα-helixtrans-64-32.3176.4-75174.7-19.700112.8F228 T229 A230 L236 T258F228-Q232 VanDerWaalsContact CA-OE1 3.3Å; F228-Q232 HydrophobicContact CB-CB 4.38Å; T229-Q232 PolarHBondContact O-N 3.41Å; T229-Q232 WeakPolarHBondContact OG1-CB 3.44Å; T229-Q232 VanDerWaalsContact OG1-CG 3.22Å; T229-Q232 WeakPolarHBondContact OG1-CG 3.36Å; T229-Q232 PolarHBondContact OG1-N 2.98Å; T229-Q232 VanDerWaalsContact OG1-N 3.12Å; A230-Q232 VanDerWaalsContact C-N 3.33Å; A230-Q232 PolarHBondContact O-N 3.19Å; Q232-L236 WeakPolarHBondContact O-CB 3.41Å; Q232-L236 WeakPolarHBondContact O-CD1 3.49Å; Q232-L236 WeakPolarHBondContact O-CG 3.49Å; Q232-L236 PolarHBondContact O-N 3.16Å; Q232-T258 WeakPolarHBondContact CG-O 3.32Å; Q232-T258 PolarHBondContact NE2-O 3.01Å
233L97.2Very high91Very high58 Ų5894.2 Ų94.230%0.30446%0.458SS..Hα-helixtrans-76.9-37.8175.8-70.1171000111.6F228 T229 A230 E231 L236 E237 W268F228-L233 HydrophobicContact CB-CD1 4.29Å; F228-L233 HydrophobicContact CB-CD2 3.74Å; F228-L233 HydrophobicContact CB-CG 3.73Å; F228-L233 HydrophobicContact CD2-CD2 4.43Å; F228-L233 HydrophobicContact CG-CD2 4.02Å; T229-L233 WeakPolarHBondContact O-CG 3.41Å; T229-L233 PolarHBondContact O-N 2.76Å; T229-L233 VanDerWaalsContact O-N 3.13Å; A230-L233 CarbonylContact O-C 3.5Å; A230-L233 WeakPolarHBondContact O-CA 3.5Å; A230-L233 WeakPolarHBondContact O-CB 3.41Å; A230-L233 PolarHBondContact O-N 2.81Å; E231-L233 VanDerWaalsContact C-N 3.29Å; E231-L233 PolarHBondContact O-N 3.26Å; L233-L236 PolarHBondContact O-N 3Å; L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 WeakPolarHBondContact O-CG 3.11Å; L233-E237 PolarHBondContact O-N 3.05Å; L233-W268 VanDerWaalsContact CD2-NE1 3.29Å
234E96.9Very high92.7Very high140 Ų14086 Ų8665%0.65443%0.43SS*.Hα-helixtrans-60.1-53178.8-171.5-179.9160.200111.7A230 E231 L236 E237 K238A230-E234 PolarHBondContact O-N 3.2Å; E231-E234 PolarHBondContact O-N 3.25Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.88Å; E234-E237 PolarHBondContact O-N 3.05Å; E234-E237 VanDerWaalsContact O-N 3.16Å; E234-K238 VanDerWaalsContact O-CB 3.24Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.85Å
235E96.6Very high94.4Very high46 Ų4688.7 Ų88.722%0.21543%0.426CS..Hα-helixtrans-64.8-32.3178.4-175.468.7176.800112E231 K238 A239 L254 R257 T258E231-E235 PolarHBondContact O-N 3.49Å; E231-E235 VanDerWaalsContact O-N 3.16Å; E235-K238 IonicContact OE2-NZ 2.88Å; E235-K238 PolarHBondContact OE2-NZ 2.89Å; E235-A239 VanDerWaalsContact O-CB 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 3.44Å; E235-L254 HydrophobicContact CG-CD2 4.13Å; E235-R257 WeakPolarHBondContact OE1-CD 3.46Å; E235-T258 HydrophobicContact CB-CG2 4.45Å
236L97.5Very high95.1Very high0 Ų079 Ų790%039%0.39CS..Hα-helixtrans-71.7-34.4173.8-72.8172.9000113.1F228 Q232 L233 E234 F240 L254 T258 L260 V265 W268 F269F228-L236 HydrophobicContact CD1-CD1 4.06Å; F228-L236 HydrophobicContact CE1-CD1 4.11Å; Q232-L236 WeakPolarHBondContact O-CB 3.41Å; Q232-L236 WeakPolarHBondContact O-CD1 3.49Å; Q232-L236 WeakPolarHBondContact O-CG 3.49Å; Q232-L236 PolarHBondContact O-N 3.16Å; L233-L236 PolarHBondContact O-N 3Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 2.88Å; L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 PolarHBondContact O-N 2.83Å; L236-L254 HydrophobicContact CD2-CB 4.45Å; L236-T258 HydrophobicContact CD2-CG2 4.43Å; L236-T258 HydrophobicContact CG-CG2 4.14Å; L236-L260 HydrophobicContact CD1-CD1 4.46Å; L236-V265 HydrophobicContact CD2-CG1 3.94Å; L236-V265 HydrophobicContact CD2-CG2 4.34Å; L236-W268 HydrophobicContact CB-CD2 4.06Å; L236-W268 HydrophobicContact CB-CE3 4.01Å; L236-W268 HydrophobicContact CB-CH2 3.82Å; L236-W268 HydrophobicContact CB-CZ2 3.83Å; L236-W268 HydrophobicContact CB-CZ3 3.9Å; L236-W268 HydrophobicContact CD1-CB 4.47Å; L236-W268 HydrophobicContact CD1-CD2 3.91Å; L236-W268 HydrophobicContact CD1-CE3 4.42Å; L236-W268 HydrophobicContact CD1-CG 3.87Å; L236-W268 HydrophobicContact CD2-CE3 4.39Å; L236-W268 HydrophobicContact CG-CD2 4.43Å; L236-W268 WeakPolarHBondContact O-CH2 3.29Å; L236-W268 WeakPolarHBondContact O-CZ3 3.35Å; L236-F269 HydrophobicContact CD2-CE2 3.87Å
237E97.2Very high95.8Very high61 Ų6180 Ų8029%0.28539%0.394SS..Hα-helixtrans-78.5-41.1178.7-69.6-168.6-174.700111.8L233 E234 A239 F240 E241 W268 R272L233-E237 WeakPolarHBondContact O-CB 3.22Å; L233-E237 WeakPolarHBondContact O-CG 3.11Å; L233-E237 PolarHBondContact O-N 3.05Å; E234-E237 PolarHBondContact O-N 3.05Å; E234-E237 VanDerWaalsContact O-N 3.16Å; E237-A239 VanDerWaalsContact C-N 3.29Å; E237-A239 PolarHBondContact O-N 3.48Å; E237-F240 WeakPolarHBondContact O-CA 3.34Å; E237-F240 VanDerWaalsContact O-CB 3.32Å; E237-F240 WeakPolarHBondContact O-CB 3.44Å; E237-F240 PolarHBondContact O-N 2.67Å; E237-E241 WeakPolarHBondContact O-CG 3.43Å; E237-E241 PolarHBondContact O-N 3.06Å; E237-W268 HydrophobicContact CG-CH2 3.59Å; E237-W268 HydrophobicContact CG-CZ2 3.47Å; E237-W268 VanDerWaalsContact CG-CZ2 3.47Å; E237-R272 IonicContact OE1-CZ 3.1Å; E237-R272 IonicContact OE1-NE 2.83Å; E237-R272 IonicContact OE1-NH1 3.05Å; E237-R272 PolarHBondContact OE1-NH1 3.26Å; E237-R272 IonicContact OE1-NH2 2.71Å; E237-R272 IonicContact OE2-CZ 3.99Å; E237-R272 IonicContact OE2-NH1 2.62Å; E237-R272 PolarHBondContact OE2-NH1 3.01Å; E237-R272 IonicContact OE2-NH2 2.69Å; E237-R272 PolarHBondContact OE2-NH2 3.27Å
238K96.9Very high96.2Very high117 Ų11777.4 Ų77.451%0.50938%0.375SS..Hα-helixtrans-56.6-38.9168176178.9162.3-153.30112.8E234 E235 R242E234-K238 VanDerWaalsContact O-CB 3.24Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 2.85Å; E235-K238 IonicContact OE2-NZ 2.88Å; E235-K238 PolarHBondContact OE2-NZ 2.89Å; K238-R242 PolarHBondContact O-N 2.62Å
239A96.6Very high96.4Very high13 Ų1382.5 Ų82.511%0.10739%0.393CS..Hα-helixtrans-72.6-32.7172.400000113.2E235 E237 E241 R242 T243 L254 F269E235-A239 VanDerWaalsContact O-CB 3.25Å; E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 3.44Å; E237-A239 VanDerWaalsContact C-N 3.29Å; E237-A239 PolarHBondContact O-N 3.48Å; A239-E241 VanDerWaalsContact C-N 3.34Å; A239-R242 PolarHBondContact O-N 3.16Å; A239-T243 PolarHBondContact O-N 3.46Å; A239-L254 HydrophobicContact CB-CD1 3.63Å; A239-L254 HydrophobicContact CB-CD2 3.68Å; A239-L254 HydrophobicContact CB-CG 4.29Å; A239-F269 HydrophobicContact CB-CZ 4.1Å
240F97.4Very high96.5Very high4 Ų481.6 Ų81.62%0.01839%0.388CS..Hα-helixtrans-66.3-34.2175.3-173.6-96.9000112.7L236 E237 T243 H244 W268 F269 R272 R273 W276L236-F240 WeakPolarHBondContact O-CB 3.47Å; L236-F240 PolarHBondContact O-N 2.83Å; E237-F240 WeakPolarHBondContact O-CA 3.34Å; E237-F240 VanDerWaalsContact O-CB 3.32Å; E237-F240 WeakPolarHBondContact O-CB 3.44Å; E237-F240 PolarHBondContact O-N 2.67Å; F240-T243 CarbonylContact O-C 3.17Å; F240-T243 PolarHBondContact O-N 3.06Å; F240-H244 AromaticContact CD1-CD2 3.61Å; F240-H244 AromaticContact CE1-CD2 3.21Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.45Å; F240-H244 AromaticContact CE1-NE2 3.55Å; F240-H244 HydrophobicContact CE2-CB 4.32Å; F240-H244 AromaticContact CE2-CD2 3.77Å; F240-H244 HydrophobicContact CZ-CB 4.45Å; F240-H244 AromaticContact CZ-CD2 3.29Å; F240-H244 WeakPolarHBondContact CZ-CD2 3.48Å; F240-H244 AromaticContact CZ-NE2 3.98Å; F240-H244 PolarHBondContact O-CD2 2.72Å; F240-H244 VanDerWaalsContact O-CD2 3.23Å; F240-H244 PolarHBondContact O-N 2.84Å; F240-W268 HydrophobicContact CB-CH2 4.1Å; F240-W268 HydrophobicContact CB-CZ3 4.1Å; F240-W268 HydrophobicContact CD2-CZ3 4.18Å; F240-W268 HydrophobicContact CG-CH2 4.46Å; F240-W268 HydrophobicContact CG-CZ3 4.42Å; F240-F269 HydrophobicContact CB-CE1 3.99Å; F240-F269 HydrophobicContact CB-CZ 4.39Å; F240-F269 AromaticContact CD2-CD1 3.72Å; F240-F269 HydrophobicContact CD2-CD1 3.72Å; F240-F269 AromaticContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CE2-CD1 4.43Å; F240-F269 HydrophobicContact CG-CE1 4.37Å; F240-R272 HydrophobicContact CD1-CG 3.8Å; F240-R272 HydrophobicContact CD2-CB 4.05Å; F240-R272 HydrophobicContact CD2-CG 3.51Å; F240-R272 HydrophobicContact CE1-CG 3.69Å; F240-R272 HydrophobicContact CE2-CB 3.81Å; F240-R272 HydrophobicContact CE2-CG 3.4Å; F240-R272 HydrophobicContact CG-CG 3.72Å; F240-R272 HydrophobicContact CZ-CB 4.25Å; F240-R272 HydrophobicContact CZ-CG 3.5Å; F240-R272 VanDerWaalsContact CZ-CG 3.5Å; F240-R273 HydrophobicContact CE2-CG 3.8Å; F240-R273 HydrophobicContact CZ-CG 4.29Å; F240-W276 HydrophobicContact CE1-CD2 4.48Å; F240-W276 HydrophobicContact CZ-CB 4.19Å; F240-W276 HydrophobicContact CZ-CG 4.41Å
241E96.6Very high96.7Very high152 Ų15279.6 Ų79.671%0.7136%0.362SS*.Hα-helixtrans-65.7-39.9172.9-71.1167.5-179.700112.2E237 A239E237-E241 WeakPolarHBondContact O-CG 3.43Å; E237-E241 PolarHBondContact O-N 3.06Å; A239-E241 VanDerWaalsContact C-N 3.34Å
242R95.9Very high96.9Very high224 Ų22476.7 Ų76.785%0.84535%0.349SS*.Hα-helixtrans-67.2-41.3172.6-71.6-177.765.388-3.3112.6K238 A239K238-R242 PolarHBondContact O-N 2.62Å; A239-R242 PolarHBondContact O-N 3.16Å
243T95.2Very high96.9Very high52 Ų5279.8 Ų79.832%0.31936%0.363SS..  trans-155.3128.4172.3176.40000113A239 F240 Y245 P246 F269A239-T243 PolarHBondContact O-N 3.46Å; F240-T243 CarbonylContact O-C 3.17Å; F240-T243 PolarHBondContact O-N 3.06Å; T243-Y245 PolarHBondContact O-N 2.83Å; T243-Y245 VanDerWaalsContact OG1-C 3.24Å; T243-Y245 PolarHBondContact OG1-N 2.77Å; T243-Y245 PolarHBondContact OG1-O 2.74Å; T243-P246 HydrophobicContact CG2-CB 3.99Å; T243-F269 WeakPolarHBondContact O-CE1 3.29Å
244H96.1Very high96.9Very high68 Ų6877.2 Ų77.232%0.31535%0.35SS..SBendtrans-66.1-19.4169.9-61.3140.9000113F240 R273 W276F240-H244 AromaticContact CD1-CD2 3.61Å; F240-H244 AromaticContact CE1-CD2 3.21Å; F240-H244 WeakPolarHBondContact CE1-CD2 3.45Å; F240-H244 AromaticContact CE1-NE2 3.55Å; F240-H244 HydrophobicContact CE2-CB 4.32Å; F240-H244 AromaticContact CE2-CD2 3.77Å; F240-H244 HydrophobicContact CZ-CB 4.45Å; F240-H244 AromaticContact CZ-CD2 3.29Å; F240-H244 WeakPolarHBondContact CZ-CD2 3.48Å; F240-H244 AromaticContact CZ-NE2 3.98Å; F240-H244 PolarHBondContact O-CD2 2.72Å; F240-H244 VanDerWaalsContact O-CD2 3.23Å; F240-H244 PolarHBondContact O-N 2.84Å; H244-R273 VanDerWaalsContact O-CD 3.22Å; H244-R273 WeakPolarHBondContact O-CD 3.4Å; H244-R273 WeakPolarHBondContact O-CG 3.27Å; H244-R273 PolarHBondContact O-NH1 2.99Å; H244-W276 AromaticContact CE1-NE1 3.93Å
245Y97.1Very high97Very high155 Ų15571 Ų7161%0.60832%0.322SS*.SBendtrans-132.573.8-176.4-65.1-90.9000110.8T243 R273T243-Y245 PolarHBondContact O-N 2.83Å; T243-Y245 VanDerWaalsContact OG1-C 3.24Å; T243-Y245 PolarHBondContact OG1-N 2.77Å; T243-Y245 PolarHBondContact OG1-O 2.74Å; Y245-R273 VanDerWaalsContact CE1-NE 3.28Å
246P96.8Very high97Very high9 Ų975.9 Ų75.96%0.05835%0.345CS..  trans-65.7142.5173.129.3-36.9000111.2T243 T250 R251 F269T243-P246 HydrophobicContact CG2-CB 3.99Å; P246-T250 HydrophobicContact CB-CG2 3.63Å; P246-R251 HydrophobicContact CB-CG 3.88Å; P246-R251 HydrophobicContact CG-CG 3.66Å; P246-R251 PolarHBondContact O-NH1 2.71Å; P246-F269 VanDerWaalsContact CD-CE1 3.46Å; P246-F269 HydrophobicContact CG-CD1 3.56Å; P246-F269 HydrophobicContact CG-CD2 4.07Å; P246-F269 HydrophobicContact CG-CE1 3.5Å; P246-F269 VanDerWaalsContact CG-CE1 3.5Å; P246-F269 HydrophobicContact CG-CE2 4.03Å; P246-F269 HydrophobicContact CG-CG 3.86Å; P246-F269 HydrophobicContact CG-CZ 3.76Å
247D97.6Very high96.9Very high67 Ų6782.1 Ų82.136%0.35837%0.368SS..  trans-73.1-170.2177.584-59.4000111.8Y249 T250 R251D247-Y249 WeakPolarHBondContact OD2-CB 3.2Å; D247-Y249 VanDerWaalsContact OD2-CD2 3.22Å; D247-Y249 WeakPolarHBondContact OD2-CD2 3.42Å; D247-Y249 PolarHBondContact OD2-N 3.32Å; D247-T250 WeakPolarHBondContact OD1-CB 3.49Å; D247-T250 PolarHBondContact OD1-N 3.34Å; D247-T250 PolarHBondContact OD1-OG1 2.9Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 VanDerWaalsContact O-CZ 3.26Å; D247-R251 PolarHBondContact O-N 3.46Å; D247-R251 PolarHBondContact O-NH1 2.94Å
248I97.2Very high96.8Very high68 Ų6879.6 Ų79.635%0.34936%0.357SS..Hα-helixtrans-66.2-48.3178.6-174.560.2000111.6T250 R251 E252 E262I248-T250 PolarHBondContact O-N 2.88Å; I248-R251 PolarHBondContact O-N 3.1Å; I248-R251 VanDerWaalsContact O-N 3.1Å; I248-E252 HydrophobicContact CD1-CG 4.24Å; I248-E252 HydrophobicContact CG1-CG 4.43Å; I248-E252 WeakPolarHBondContact O-CG 3.36Å; I248-E252 PolarHBondContact O-N 3Å; I248-E262 HydrophobicContact CD1-CG 4.03Å
249Y97.7Very high96.8Very high169 Ų16982.9 Ų82.966%0.66337%0.371SS*.Hα-helixtrans-66.8-42.2-174-57-63.8000111.4D247 R251 E252 E253D247-Y249 WeakPolarHBondContact OD2-CB 3.2Å; D247-Y249 VanDerWaalsContact OD2-CD2 3.22Å; D247-Y249 WeakPolarHBondContact OD2-CD2 3.42Å; D247-Y249 PolarHBondContact OD2-N 3.32Å; Y249-R251 VanDerWaalsContact C-N 3.29Å; Y249-R251 PolarHBondContact O-N 2.9Å; Y249-E252 PolarHBondContact O-N 3.34Å; Y249-E253 PolarHBondContact O-N 3Å
250T96.9Very high96.7Very high50 Ų5083.7 Ų83.731%0.30737%0.374SS..Hα-helixtrans-60.8-37.5173.9-55.10000111.8P246 D247 I248 L254P246-T250 HydrophobicContact CB-CG2 3.63Å; D247-T250 WeakPolarHBondContact OD1-CB 3.49Å; D247-T250 PolarHBondContact OD1-N 3.34Å; D247-T250 PolarHBondContact OD1-OG1 2.9Å; I248-T250 PolarHBondContact O-N 2.88Å; T250-L254 HydrophobicContact CG2-CD1 4.06Å; T250-L254 WeakPolarHBondContact O-CB 3.49Å; T250-L254 WeakPolarHBondContact O-CD1 3.32Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.91Å; T250-L254 VanDerWaalsContact O-N 3.08Å
251R97.6Very high96.7Very high42 Ų4287.6 Ų87.616%0.15840%0.398CS..Hα-helixtrans-73.7-29.2177.8-67.4-175.5-36.7-94.4-4.8112.6P246 D247 I248 Y249 A255 E262 V265P246-R251 HydrophobicContact CB-CG 3.88Å; P246-R251 HydrophobicContact CG-CG 3.66Å; P246-R251 PolarHBondContact O-NH1 2.71Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 VanDerWaalsContact O-CZ 3.26Å; D247-R251 PolarHBondContact O-N 3.46Å; D247-R251 PolarHBondContact O-NH1 2.94Å; I248-R251 PolarHBondContact O-N 3.1Å; I248-R251 VanDerWaalsContact O-N 3.1Å; Y249-R251 VanDerWaalsContact C-N 3.29Å; Y249-R251 PolarHBondContact O-N 2.9Å; R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.24Å; R251-A255 PolarHBondContact O-N 3.1Å; R251-E262 HydrophobicContact CB-CG 4.06Å; R251-E262 IonicContact CZ-OE1 3.97Å; R251-E262 IonicContact NE-OE1 2.74Å; R251-E262 PolarHBondContact NE-OE1 2.89Å; R251-E262 IonicContact NH2-OE1 3.15Å; R251-E262 PolarHBondContact NH2-OE1 2.85Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 4.09Å
252E97.9Very high96.7Very high86 Ų8682.3 Ų82.340%0.40237%0.373SS..Hα-helixtrans-74-40.4173.6-72.3178.5169.100112.3I248 Y249 A255 Q256 E262I248-E252 HydrophobicContact CD1-CG 4.24Å; I248-E252 HydrophobicContact CG1-CG 4.43Å; I248-E252 WeakPolarHBondContact O-CG 3.36Å; I248-E252 PolarHBondContact O-N 3Å; Y249-E252 PolarHBondContact O-N 3.34Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 3.01Å; E252-Q256 WeakPolarHBondContact O-CG 3.42Å; E252-Q256 PolarHBondContact O-N 3.36Å; E252-Q256 PolarHBondContact O-NE2 3.09Å; E252-E262 HydrophobicContact CG-CB 4.46Å; E252-E262 HydrophobicContact CG-CG 4.12Å
253E97.1Very high96.7Very high94 Ų9473.6 Ų73.644%0.43935%0.349SS..Hα-helixtrans-58.8-48.2169.5-76-150.6137.400111.5Y249 A255 Q256 R257Y249-E253 PolarHBondContact O-N 3Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.07Å; E253-Q256 WeakPolarHBondContact O-CB 3.37Å; E253-Q256 PolarHBondContact O-N 3.48Å; E253-R257 PolarHBondContact O-N 3.37Å; E253-R257 IonicContact OE1-NH2 2.76Å; E253-R257 PolarHBondContact OE1-NH2 2.95Å; E253-R257 VanDerWaalsContact OE1-NH2 3.1Å; E253-R257 IonicContact OE2-CZ 3.92Å; E253-R257 VanDerWaalsContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NH1 2.76Å; E253-R257 PolarHBondContact OE2-NH1 3.43Å; E253-R257 IonicContact OE2-NH2 3.06Å; E253-R257 PolarHBondContact OE2-NH2 3.15Å
254L97.1Very high96.7Very high5 Ų575.9 Ų75.93%0.02635%0.352CS..Hα-helixtrans-64.4-35.5179-70.5167.9000111.8E235 L236 A239 T250 Q256 T258 V265 F269E235-L254 HydrophobicContact CG-CD2 4.13Å; L236-L254 HydrophobicContact CD2-CB 4.45Å; A239-L254 HydrophobicContact CB-CD1 3.63Å; A239-L254 HydrophobicContact CB-CD2 3.68Å; A239-L254 HydrophobicContact CB-CG 4.29Å; T250-L254 HydrophobicContact CG2-CD1 4.06Å; T250-L254 WeakPolarHBondContact O-CB 3.49Å; T250-L254 WeakPolarHBondContact O-CD1 3.32Å; T250-L254 WeakPolarHBondContact O-CG 3.38Å; T250-L254 PolarHBondContact O-N 2.91Å; T250-L254 VanDerWaalsContact O-N 3.08Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; L254-T258 VanDerWaalsContact O-CB 3.31Å; L254-T258 WeakPolarHBondContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CG2 3.36Å; L254-T258 PolarHBondContact O-N 3.18Å; L254-T258 PolarHBondContact O-OG1 3.06Å; L254-V265 HydrophobicContact CB-CG1 4.1Å; L254-V265 HydrophobicContact CB-CG2 4.47Å; L254-V265 HydrophobicContact CD1-CG1 4.38Å; L254-F269 HydrophobicContact CD1-CE2 3.89Å; L254-F269 HydrophobicContact CD1-CZ 4.04Å
255A97.5Very high96.8Very high8 Ų872.6 Ų72.67%0.06634%0.337CS..Hα-helixtrans-61.4-43.8173.500000111.3R251 E252 E253 K259 L260 V265R251-A255 VanDerWaalsContact O-CB 3.27Å; R251-A255 WeakPolarHBondContact O-CB 3.24Å; R251-A255 PolarHBondContact O-N 3.1Å; E252-A255 WeakPolarHBondContact O-CB 3.2Å; E252-A255 PolarHBondContact O-N 3.01Å; E253-A255 VanDerWaalsContact C-N 3.29Å; E253-A255 PolarHBondContact O-N 3.07Å; A255-K259 WeakPolarHBondContact O-CA 3.32Å; A255-K259 PolarHBondContact O-N 3.24Å; A255-L260 CarbonylContact C-O 3.56Å; A255-L260 WeakPolarHBondContact CB-O 3.35Å; A255-L260 PolarHBondContact O-N 2.83Å; A255-L260 VanDerWaalsContact O-O 3.06Å; A255-V265 HydrophobicContact CB-CG2 4.05Å
256Q97.4Very high96.8Very high149 Ų14969.8 Ų69.870%0.69633%0.329SS*.Hα-helixtrans-64.2-54.1174.8-68.4172.863.400111.9E252 E253 L254 T258 K259E252-Q256 WeakPolarHBondContact O-CG 3.42Å; E252-Q256 PolarHBondContact O-N 3.36Å; E252-Q256 PolarHBondContact O-NE2 3.09Å; E253-Q256 WeakPolarHBondContact O-CB 3.37Å; E253-Q256 PolarHBondContact O-N 3.48Å; L254-Q256 VanDerWaalsContact C-N 3.35Å; Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 3Å; Q256-K259 PolarHBondContact O-N 3.24Å; Q256-K259 VanDerWaalsContact O-N 3.11Å
257R95.7Very high96.8Very high132 Ų13272.3 Ų72.350%0.49834%0.344SS..Hα-helixtrans-56.5-45.6-179.9-70.1-173.3-174.110715.2112E235 E253 K259E235-R257 WeakPolarHBondContact OE1-CD 3.46Å; E253-R257 PolarHBondContact O-N 3.37Å; E253-R257 IonicContact OE1-NH2 2.76Å; E253-R257 PolarHBondContact OE1-NH2 2.95Å; E253-R257 VanDerWaalsContact OE1-NH2 3.1Å; E253-R257 IonicContact OE2-CZ 3.92Å; E253-R257 VanDerWaalsContact OE2-CZ 3.24Å; E253-R257 IonicContact OE2-NH1 2.76Å; E253-R257 PolarHBondContact OE2-NH1 3.43Å; E253-R257 IonicContact OE2-NH2 3.06Å; E253-R257 PolarHBondContact OE2-NH2 3.15Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 2.91Å
258T95.4Very high96.8Very high7 Ų770.1 Ų70.14%0.04333%0.331CS..Hα-helixtrans-81.8-6.3-179.462.20000114.4Q232 E235 L236 L254 Q256 L260Q232-T258 WeakPolarHBondContact CG-O 3.32Å; Q232-T258 PolarHBondContact NE2-O 3.01Å; E235-T258 HydrophobicContact CB-CG2 4.45Å; L236-T258 HydrophobicContact CD2-CG2 4.43Å; L236-T258 HydrophobicContact CG-CG2 4.14Å; L254-T258 VanDerWaalsContact O-CB 3.31Å; L254-T258 WeakPolarHBondContact O-CB 3.25Å; L254-T258 WeakPolarHBondContact O-CG2 3.36Å; L254-T258 PolarHBondContact O-N 3.18Å; L254-T258 PolarHBondContact O-OG1 3.06Å; Q256-T258 VanDerWaalsContact C-N 3.34Å; Q256-T258 PolarHBondContact O-N 3Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.76Å; T258-L260 WeakPolarHBondContact OG1-CD1 3.47Å; T258-L260 WeakPolarHBondContact OG1-CG 3.43Å
259K96.5Very high96.8Very high186 Ų18666.9 Ų66.981%0.80931%0.314SS*.THydrogen-bonded Turntrans56.743.7-173.7-57169.4-174.6164.60112.4A255 Q256 R257A255-K259 WeakPolarHBondContact O-CA 3.32Å; A255-K259 PolarHBondContact O-N 3.24Å; Q256-K259 PolarHBondContact O-N 3.24Å; Q256-K259 VanDerWaalsContact O-N 3.11Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 2.91Å
260L94.6Very high96.8Very high30 Ų3061.8 Ų61.816%0.15730%0.304CS..SBendtrans-119.6173.7177.3-61.9178.1000110.2T226 F228 L236 A255 T258 R264T226-L260 HydrophobicContact CG2-CD2 4.18Å; F228-L260 HydrophobicContact CD1-CD1 3.69Å; F228-L260 HydrophobicContact CE1-CD1 3.64Å; L236-L260 HydrophobicContact CD1-CD1 4.46Å; A255-L260 CarbonylContact C-O 3.56Å; A255-L260 WeakPolarHBondContact CB-O 3.35Å; A255-L260 PolarHBondContact O-N 2.83Å; A255-L260 VanDerWaalsContact O-O 3.06Å; T258-L260 VanDerWaalsContact C-N 3.32Å; T258-L260 PolarHBondContact O-N 2.76Å; T258-L260 WeakPolarHBondContact OG1-CD1 3.47Å; T258-L260 WeakPolarHBondContact OG1-CG 3.43Å; L260-R264 HydrophobicContact CB-CB 4.26Å
261T96.5Very high96.8Very high86 Ų8664 Ų6453%0.52831%0.313SS..  trans-89152.4167.269.20000110.8A263 R264 V265T261-A263 PolarHBondContact O-N 3.38Å; T261-R264 WeakPolarHBondContact O-CA 3.5Å; T261-R264 WeakPolarHBondContact O-CB 3.46Å; T261-R264 PolarHBondContact O-N 3.34Å; T261-V265 PolarHBondContact O-N 2.82Å
262E96.9Very high96.7Very high42 Ų4264.8 Ų64.820%0.19632%0.316CS..Hα-helixtrans-48.1-45.7173.8-172.5-75.5162.600110.8I248 R251 E252 R264 V265 Q266I248-E262 HydrophobicContact CD1-CG 4.03Å; R251-E262 HydrophobicContact CB-CG 4.06Å; R251-E262 IonicContact CZ-OE1 3.97Å; R251-E262 IonicContact NE-OE1 2.74Å; R251-E262 PolarHBondContact NE-OE1 2.89Å; R251-E262 IonicContact NH2-OE1 3.15Å; R251-E262 PolarHBondContact NH2-OE1 2.85Å; E252-E262 HydrophobicContact CG-CB 4.46Å; E252-E262 HydrophobicContact CG-CG 4.12Å; E262-R264 PolarHBondContact O-N 2.84Å; E262-V265 CarbonylContact O-C 3.59Å; E262-V265 WeakPolarHBondContact O-CA 3.21Å; E262-V265 WeakPolarHBondContact O-CB 3.27Å; E262-V265 PolarHBondContact O-N 3.1Å; E262-Q266 WeakPolarHBondContact O-CB 3.22Å; E262-Q266 PolarHBondContact O-N 3.22Å
263A95.9Very high96.6Very high41 Ų4163.1 Ų63.134%0.33931%0.306SS..Hα-helixtrans-69.6-2.3178.700000114.8T261 V267T261-A263 PolarHBondContact O-N 3.38Å; A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.29Å
264R96.2Very high96.4Very high99 Ų9960.4 Ų60.437%0.37430%0.3SS..Hα-helixtrans-91.3-43.9161.4-63.5-59781465.1110.8T226 L260 T261 E262 V267 W268T226-R264 WeakPolarHBondContact OG1-CD 3.35Å; L260-R264 HydrophobicContact CB-CB 4.26Å; T261-R264 WeakPolarHBondContact O-CA 3.5Å; T261-R264 WeakPolarHBondContact O-CB 3.46Å; T261-R264 PolarHBondContact O-N 3.34Å; E262-R264 PolarHBondContact O-N 2.84Å; R264-V267 PolarHBondContact O-N 3.31Å; R264-W268 WeakPolarHBondContact O-CB 3.41Å; R264-W268 PolarHBondContact O-N 2.76Å
265V97.1Very high96.1Very high0 Ų068.4 Ų68.40%033%0.33CS..Hα-helixtrans-59.2-51.9175.61800000110.4L236 R251 L254 A255 T261 E262 V267 W268 F269L236-V265 HydrophobicContact CD2-CG1 3.94Å; L236-V265 HydrophobicContact CD2-CG2 4.34Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 4.09Å; L254-V265 HydrophobicContact CB-CG1 4.1Å; L254-V265 HydrophobicContact CB-CG2 4.47Å; L254-V265 HydrophobicContact CD1-CG1 4.38Å; A255-V265 HydrophobicContact CB-CG2 4.05Å; T261-V265 PolarHBondContact O-N 2.82Å; E262-V265 CarbonylContact O-C 3.59Å; E262-V265 WeakPolarHBondContact O-CA 3.21Å; E262-V265 WeakPolarHBondContact O-CB 3.27Å; E262-V265 PolarHBondContact O-N 3.1Å; V265-V267 VanDerWaalsContact C-N 3.32Å; V265-V267 PolarHBondContact O-N 3.49Å; V265-W268 WeakPolarHBondContact O-CA 3.49Å; V265-W268 WeakPolarHBondContact O-CB 3.1Å; V265-W268 PolarHBondContact O-N 3.32Å; V265-F269 HydrophobicContact CG1-CD2 3.71Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 WeakPolarHBondContact O-CD2 3.42Å; V265-F269 PolarHBondContact O-N 2.82Å
266Q97.3Very high95.8Very high95 Ų9574 Ų7444%0.44435%0.35SS..Hα-helixtrans-54.4-45176.5-167.5-154.751.900112.4E262 S270E262-Q266 WeakPolarHBondContact O-CB 3.22Å; E262-Q266 PolarHBondContact O-N 3.22Å; Q266-S270 WeakPolarHBondContact O-CB 3.21Å; Q266-S270 PolarHBondContact O-N 3.39Å
267V96.8Very high95.4Very high62 Ų6274.2 Ų74.238%0.37634%0.344SS..Hα-helixtrans-68.8-38176.9169.30000111.4A263 R264 V265 N271A263-V267 VanDerWaalsContact O-CG2 3.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.29Å; R264-V267 PolarHBondContact O-N 3.31Å; V265-V267 VanDerWaalsContact C-N 3.32Å; V265-V267 PolarHBondContact O-N 3.49Å; V267-N271 PolarHBondContact O-N 3.17Å; V267-N271 PolarHBondContact O-ND2 2.59Å
268W97.1Very high94.8Very high21 Ų2175.6 Ų75.68%0.0835%0.353CS..Hα-helixtrans-62.5-51.2174.8-177.2103000110.7F228 L233 L236 E237 F240 R264 V265 S270 N271 R272F228-W268 HydrophobicContact CE1-CB 4.24Å; F228-W268 AromaticContact CE1-CD1 3.74Å; F228-W268 HydrophobicContact CE1-CG 4.28Å; F228-W268 AromaticContact CE2-CD1 3.96Å; F228-W268 HydrophobicContact CZ-CB 4.06Å; F228-W268 AromaticContact CZ-CD1 3.65Å; F228-W268 HydrophobicContact CZ-CG 4.24Å; L233-W268 VanDerWaalsContact CD2-NE1 3.29Å; L236-W268 HydrophobicContact CB-CD2 4.06Å; L236-W268 HydrophobicContact CB-CE3 4.01Å; L236-W268 HydrophobicContact CB-CH2 3.82Å; L236-W268 HydrophobicContact CB-CZ2 3.83Å; L236-W268 HydrophobicContact CB-CZ3 3.9Å; L236-W268 HydrophobicContact CD1-CB 4.47Å; L236-W268 HydrophobicContact CD1-CD2 3.91Å; L236-W268 HydrophobicContact CD1-CE3 4.42Å; L236-W268 HydrophobicContact CD1-CG 3.87Å; L236-W268 HydrophobicContact CD2-CE3 4.39Å; L236-W268 HydrophobicContact CG-CD2 4.43Å; L236-W268 WeakPolarHBondContact O-CH2 3.29Å; L236-W268 WeakPolarHBondContact O-CZ3 3.35Å; E237-W268 HydrophobicContact CG-CH2 3.59Å; E237-W268 HydrophobicContact CG-CZ2 3.47Å; E237-W268 VanDerWaalsContact CG-CZ2 3.47Å; F240-W268 HydrophobicContact CB-CH2 4.1Å; F240-W268 HydrophobicContact CB-CZ3 4.1Å; F240-W268 HydrophobicContact CD2-CZ3 4.18Å; F240-W268 HydrophobicContact CG-CH2 4.46Å; F240-W268 HydrophobicContact CG-CZ3 4.42Å; R264-W268 WeakPolarHBondContact O-CB 3.41Å; R264-W268 PolarHBondContact O-N 2.76Å; V265-W268 WeakPolarHBondContact O-CA 3.49Å; V265-W268 WeakPolarHBondContact O-CB 3.1Å; V265-W268 PolarHBondContact O-N 3.32Å; W268-S270 VanDerWaalsContact C-N 3.32Å; W268-S270 PolarHBondContact O-N 3.35Å; W268-N271 CarbonylContact O-C 3.54Å; W268-N271 WeakPolarHBondContact O-CA 3.12Å; W268-N271 PolarHBondContact O-N 2.83Å; W268-R272 HydrophobicContact CE3-CB 4.18Å; W268-R272 HydrophobicContact CH2-CB 3.91Å; W268-R272 HydrophobicContact CH2-CG 3.64Å; W268-R272 HydrophobicContact CZ2-CB 4.29Å; W268-R272 HydrophobicContact CZ2-CG 4.19Å; W268-R272 HydrophobicContact CZ3-CB 3.86Å; W268-R272 HydrophobicContact CZ3-CG 3.97Å; W268-R272 PolarHBondContact O-N 3.13Å
269F97.9Very high94Very high1 Ų181 Ų810%0.00438%0.378CS..Hα-helixtrans-59.7-41178.6-91.7-91.7000112.1L236 A239 F240 T243 P246 L254 V265 N271 R272 R273L236-F269 HydrophobicContact CD2-CE2 3.87Å; A239-F269 HydrophobicContact CB-CZ 4.1Å; F240-F269 HydrophobicContact CB-CE1 3.99Å; F240-F269 HydrophobicContact CB-CZ 4.39Å; F240-F269 AromaticContact CD2-CD1 3.72Å; F240-F269 HydrophobicContact CD2-CD1 3.72Å; F240-F269 AromaticContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CD2-CE1 3.76Å; F240-F269 HydrophobicContact CE2-CD1 4.43Å; F240-F269 HydrophobicContact CG-CE1 4.37Å; T243-F269 WeakPolarHBondContact O-CE1 3.29Å; P246-F269 VanDerWaalsContact CD-CE1 3.46Å; P246-F269 HydrophobicContact CG-CD1 3.56Å; P246-F269 HydrophobicContact CG-CD2 4.07Å; P246-F269 HydrophobicContact CG-CE1 3.5Å; P246-F269 VanDerWaalsContact CG-CE1 3.5Å; P246-F269 HydrophobicContact CG-CE2 4.03Å; P246-F269 HydrophobicContact CG-CG 3.86Å; P246-F269 HydrophobicContact CG-CZ 3.76Å; L254-F269 HydrophobicContact CD1-CE2 3.89Å; L254-F269 HydrophobicContact CD1-CZ 4.04Å; V265-F269 HydrophobicContact CG1-CD2 3.71Å; V265-F269 HydrophobicContact CG1-CE2 3.8Å; V265-F269 WeakPolarHBondContact O-CD2 3.42Å; V265-F269 PolarHBondContact O-N 2.82Å; F269-N271 PolarHBondContact O-N 3.34Å; F269-R272 PolarHBondContact O-N 3.25Å; F269-R273 WeakPolarHBondContact O-CB 3.22Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.41Å
270S96.9Very high92.7Very high62 Ų6274.1 Ų74.143%0.43436%0.356SS..Hα-helixtrans-60.3-43.4173.9-171.50000112.2Q266 W268 A274Q266-S270 WeakPolarHBondContact O-CB 3.21Å; Q266-S270 PolarHBondContact O-N 3.39Å; W268-S270 VanDerWaalsContact C-N 3.32Å; W268-S270 PolarHBondContact O-N 3.35Å; S270-A274 WeakPolarHBondContact O-CB 3.35Å; S270-A274 PolarHBondContact O-N 3.32Å; S270-A274 VanDerWaalsContact O-N 3.09Å
271N96.3Very high91.2Very high96 Ų9674.2 Ų74.251%0.51336%0.364SS..Hα-helixtrans-69.3-39.2175.7-78.7-72.8000112.9V267 W268 F269 A274 R275V267-N271 PolarHBondContact O-N 3.17Å; V267-N271 PolarHBondContact O-ND2 2.59Å; W268-N271 CarbonylContact O-C 3.54Å; W268-N271 WeakPolarHBondContact O-CA 3.12Å; W268-N271 PolarHBondContact O-N 2.83Å; F269-N271 PolarHBondContact O-N 3.34Å; N271-A274 PolarHBondContact O-N 3.45Å; N271-R275 PolarHBondContact O-N 3.43Å
272R96.1Very high89.5Confident59 Ų5972.8 Ų72.822%0.22336%0.361CS..Hα-helixtrans-64.4-48.5176.9-174.474.4179.9-172-5.8110.6E237 F240 W268 F269 A274 R275 W276E237-R272 IonicContact OE1-CZ 3.1Å; E237-R272 IonicContact OE1-NE 2.83Å; E237-R272 IonicContact OE1-NH1 3.05Å; E237-R272 PolarHBondContact OE1-NH1 3.26Å; E237-R272 IonicContact OE1-NH2 2.71Å; E237-R272 IonicContact OE2-CZ 3.99Å; E237-R272 IonicContact OE2-NH1 2.62Å; E237-R272 PolarHBondContact OE2-NH1 3.01Å; E237-R272 IonicContact OE2-NH2 2.69Å; E237-R272 PolarHBondContact OE2-NH2 3.27Å; F240-R272 HydrophobicContact CD1-CG 3.8Å; F240-R272 HydrophobicContact CD2-CB 4.05Å; F240-R272 HydrophobicContact CD2-CG 3.51Å; F240-R272 HydrophobicContact CE1-CG 3.69Å; F240-R272 HydrophobicContact CE2-CB 3.81Å; F240-R272 HydrophobicContact CE2-CG 3.4Å; F240-R272 HydrophobicContact CG-CG 3.72Å; F240-R272 HydrophobicContact CZ-CB 4.25Å; F240-R272 HydrophobicContact CZ-CG 3.5Å; F240-R272 VanDerWaalsContact CZ-CG 3.5Å; W268-R272 HydrophobicContact CE3-CB 4.18Å; W268-R272 HydrophobicContact CH2-CB 3.91Å; W268-R272 HydrophobicContact CH2-CG 3.64Å; W268-R272 HydrophobicContact CZ2-CB 4.29Å; W268-R272 HydrophobicContact CZ2-CG 4.19Å; W268-R272 HydrophobicContact CZ3-CB 3.86Å; W268-R272 HydrophobicContact CZ3-CG 3.97Å; W268-R272 PolarHBondContact O-N 3.13Å; F269-R272 PolarHBondContact O-N 3.25Å; R272-A274 PolarHBondContact O-N 3.34Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 3.23Å; R272-W276 PolarHBondContact O-N 2.73Å
273R95.8Very high87.6Confident50 Ų5076.6 Ų76.619%0.18938%0.383CS..Hα-helixtrans-55.5-36.6170.8-73.7-164.3-67.2-88.35.8113F240 H244 Y245 F269 R275 R277F240-R273 HydrophobicContact CE2-CG 3.8Å; F240-R273 HydrophobicContact CZ-CG 4.29Å; H244-R273 VanDerWaalsContact O-CD 3.22Å; H244-R273 WeakPolarHBondContact O-CD 3.4Å; H244-R273 WeakPolarHBondContact O-CG 3.27Å; H244-R273 PolarHBondContact O-NH1 2.99Å; Y245-R273 VanDerWaalsContact CE1-NE 3.28Å; F269-R273 WeakPolarHBondContact O-CB 3.22Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.41Å; R273-R275 VanDerWaalsContact C-N 3.34Å; R273-R277 PolarHBondContact O-N 3.34Å; R273-R277 VanDerWaalsContact O-N 3.17Å; R273-R277 PolarHBondContact O-NE 3.18Å
274A93.6Very high85.9Confident37 Ų3781.4 Ų81.431%0.30640%0.398SS..Hα-helixtrans-74.3-20.317800000114.1S270 N271 R272 K278S270-A274 WeakPolarHBondContact O-CB 3.35Å; S270-A274 PolarHBondContact O-N 3.32Å; S270-A274 VanDerWaalsContact O-N 3.09Å; N271-A274 PolarHBondContact O-N 3.45Å; R272-A274 PolarHBondContact O-N 3.34Å; A274-K278 WeakPolarHBondContact O-CG 3.36Å
275R91.1Very high84Confident174 Ų17482.6 Ų82.666%0.65741%0.411SS*.Hα-helixtrans-82.4-46.8168.1-69.1179.7179.2-160.5-0.7111.3N271 R272 R273 R277 K278 Q279N271-R275 PolarHBondContact O-N 3.43Å; R272-R275 WeakPolarHBondContact O-CB 3.36Å; R272-R275 PolarHBondContact O-N 3.23Å; R273-R275 VanDerWaalsContact C-N 3.34Å; R275-R277 PolarHBondContact O-N 2.95Å; R275-K278 WeakPolarHBondContact O-CA 3.42Å; R275-K278 WeakPolarHBondContact O-CB 3.41Å; R275-K278 PolarHBondContact O-N 3.01Å; R275-Q279 PolarHBondContact O-N 3.03Å
276W90.7Very high82.3Confident126 Ų12684.6 Ų84.648%0.47743%0.428SS..Hα-helixtrans-51.1-51.2178.2-175.8-108.2000112.4F240 H244 R272 K278 Q279 A280F240-W276 HydrophobicContact CE1-CD2 4.48Å; F240-W276 HydrophobicContact CZ-CB 4.19Å; F240-W276 HydrophobicContact CZ-CG 4.41Å; H244-W276 AromaticContact CE1-NE1 3.93Å; R272-W276 PolarHBondContact O-N 2.73Å; W276-K278 PolarHBondContact O-N 3.01Å; W276-Q279 PolarHBondContact O-N 2.86Å; W276-Q279 VanDerWaalsContact O-N 3.11Å; W276-A280 PolarHBondContact O-N 3.17Å
277R89.9Confident80.4Confident153 Ų15382.4 Ų82.458%0.57743%0.426SS*.Hα-helixtrans-62-23.8176.4-76.6-177.9-78103.8-4.4114.4R273 R275 G281R273-R277 PolarHBondContact O-N 3.34Å; R273-R277 VanDerWaalsContact O-N 3.17Å; R273-R277 PolarHBondContact O-NE 3.18Å; R275-R277 PolarHBondContact O-N 2.95Å; R277-G281 PolarHBondContact O-N 3.11Å
278K83.3Confident78.3Confident160 Ų16085.6 Ų85.670%0.69644%0.435SS*.Hα-helixtrans-80.2-37173.6-70.4179.9177.4-172.50112.2A274 R275 W276 A282A274-K278 WeakPolarHBondContact O-CG 3.36Å; R275-K278 WeakPolarHBondContact O-CA 3.42Å; R275-K278 WeakPolarHBondContact O-CB 3.41Å; R275-K278 PolarHBondContact O-N 3.01Å; W276-K278 PolarHBondContact O-N 3.01Å; K278-A282 WeakPolarHBondContact O-CB 3.49Å; K278-A282 PolarHBondContact O-N 2.92Å
279Q77.1Confident76.3Confident120 Ų12090 Ų9056%0.56146%0.46SS*.Hα-helixtrans-65.5-47.6173.9-72.9167.9-58.500110.5R275 W276 G281 A282 N283R275-Q279 PolarHBondContact O-N 3.03Å; W276-Q279 PolarHBondContact O-N 2.86Å; W276-Q279 VanDerWaalsContact O-N 3.11Å; Q279-G281 PolarHBondContact O-N 3.04Å; Q279-A282 PolarHBondContact O-N 2.96Å; Q279-A282 VanDerWaalsContact O-N 3.16Å; Q279-N283 PolarHBondContact O-N 2.89Å
280A70.1Confident74.3Confident43 Ų4397.9 Ų97.936%0.35550%0.497SS..Hα-helixtrans-58.3-44.1175.400000112.8W276 N283 Q284W276-A280 PolarHBondContact O-N 3.17Å; A280-N283 PolarHBondContact O-N 3.23Å; A280-Q284 WeakPolarHBondContact O-CG 3.42Å; A280-Q284 PolarHBondContact O-N 2.82Å
281G62.7Low72.2Confident31 Ų31101.3 Ų101.332%0.3251%0.51SS..Hα-helixtrans-66.8-33.3175.800000114.1R277 Q279 L285R277-G281 PolarHBondContact O-N 3.11Å; Q279-G281 PolarHBondContact O-N 3.04Å; G281-L285 WeakPolarHBondContact O-CG 3.45Å; G281-L285 PolarHBondContact O-N 2.9Å
282A60.9Low69.7Low56 Ų56101.3 Ų101.346%0.46351%0.509SS..Hα-helixtrans-69.8-40.8173.400000111.9K278 Q279 L285 A286K278-A282 WeakPolarHBondContact O-CB 3.49Å; K278-A282 PolarHBondContact O-N 2.92Å; Q279-A282 PolarHBondContact O-N 2.96Å; Q279-A282 VanDerWaalsContact O-N 3.16Å; A282-L285 PolarHBondContact O-N 3.16Å; A282-A286 PolarHBondContact O-N 2.86Å
283N57.7Low67.1Low122 Ų122105.1 Ų105.165%0.65254%0.542SS*.Hα-helixtrans-65.7-36.2176.3-105.742.1000112.7Q279 A280 A286 A287Q279-N283 PolarHBondContact O-N 2.89Å; A280-N283 PolarHBondContact O-N 3.23Å; N283-A286 PolarHBondContact O-N 3.05Å; N283-A287 WeakPolarHBondContact O-CB 3.34Å; N283-A287 PolarHBondContact O-N 3.4Å
284Q59.3Low65Low143 Ų143106.4 Ų106.467%0.66857%0.571SS**Hα-helixtrans-65-38.6174-73.6179.829.800112.1A280 A287 F288A280-Q284 WeakPolarHBondContact O-CG 3.42Å; A280-Q284 PolarHBondContact O-N 2.82Å; Q284-A287 PolarHBondContact O-N 3.04Å; Q284-F288 WeakPolarHBondContact O-CB 3.38Å; Q284-F288 PolarHBondContact O-N 3.38Å
285L57.5Low62.5Low123 Ų123107.3 Ų107.364%0.64458%0.583SS**Hα-helixtrans-66.7-37.9174-70.1167.8000112.1G281 A282 N289G281-L285 WeakPolarHBondContact O-CG 3.45Å; G281-L285 PolarHBondContact O-N 2.9Å; A282-L285 PolarHBondContact O-N 3.16Å; L285-N289 PolarHBondContact O-N 3.48Å; L285-N289 PolarHBondContact O-ND2 3.28Å
286A60.2Low60.2Low42 Ų42108.6 Ų108.635%0.34759%0.594SS.*Hα-helixtrans-65.9-47.2173.500000111.9A282 N283 F288 N289 H290A282-A286 PolarHBondContact O-N 2.86Å; N283-A286 PolarHBondContact O-N 3.05Å; A286-F288 VanDerWaalsContact C-N 3.32Å; A286-F288 PolarHBondContact O-N 3.33Å; A286-N289 WeakPolarHBondContact O-CB 3.44Å; A286-N289 PolarHBondContact O-N 3.33Å; A286-H290 PolarHBondContact O-CD2 3.18Å; A286-H290 PolarHBondContact O-N 3.31Å
287A57.6Low58.1Low50 Ų50107.3 Ų107.341%0.41360%0.601SS.*Hα-helixtrans-61.5-38.2178.100000112.5N283 Q284 N289 H290 L291N283-A287 WeakPolarHBondContact O-CB 3.34Å; N283-A287 PolarHBondContact O-N 3.4Å; Q284-A287 PolarHBondContact O-N 3.04Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 3.45Å; A287-H290 PolarHBondContact O-N 2.98Å; A287-H290 VanDerWaalsContact O-N 3.11Å; A287-L291 PolarHBondContact O-N 2.84Å
288F52.8Low56.1Low128 Ų128106 Ų10656%0.56161%0.613SS**Hα-helixtrans-62.8-37.7175.7-171-99.8000112.5Q284 A286 H290 L291 L292Q284-F288 WeakPolarHBondContact O-CB 3.38Å; Q284-F288 PolarHBondContact O-N 3.38Å; A286-F288 VanDerWaalsContact C-N 3.32Å; A286-F288 PolarHBondContact O-N 3.33Å; F288-H290 PolarHBondContact O-N 3.17Å; F288-L291 PolarHBondContact O-N 2.96Å; F288-L291 VanDerWaalsContact O-N 3.16Å; F288-L292 HydrophobicContact CD1-CD1 4.4Å; F288-L292 HydrophobicContact CE1-CD1 3.9Å; F288-L292 HydrophobicContact CZ-CD1 4.44Å
289N55.8Low54.3Low114 Ų114104.7 Ų104.761%0.6162%0.618SS**Hα-helixtrans-64.4-24.8174.4-67-23.7000113.2L285 A286 A287L285-N289 PolarHBondContact O-N 3.48Å; L285-N289 PolarHBondContact O-ND2 3.28Å; A286-N289 WeakPolarHBondContact O-CB 3.44Å; A286-N289 PolarHBondContact O-N 3.33Å; A287-N289 VanDerWaalsContact C-N 3.33Å; A287-N289 PolarHBondContact O-N 3.45Å
290H55.4Low52.6Low166 Ų166102.2 Ų102.277%0.76963%0.625SS**THydrogen-bonded Turntrans-86.1-5.8176.5-69-67.3000114A286 A287 F288A286-H290 PolarHBondContact O-CD2 3.18Å; A286-H290 PolarHBondContact O-N 3.31Å; A287-H290 PolarHBondContact O-N 2.98Å; A287-H290 VanDerWaalsContact O-N 3.11Å; F288-H290 PolarHBondContact O-N 3.17Å
291L53.2Low51Low135 Ų135107.4 Ų107.471%0.70764%0.644SS**SBendtrans-102.83.1-178.1-71.5167.1000113.8A287 F288A287-L291 PolarHBondContact O-N 2.84Å; F288-L291 PolarHBondContact O-N 2.96Å; F288-L291 VanDerWaalsContact O-N 3.16Å
292L43.8Very low49.9Very low96 Ų96112.2 Ų112.250%0.50367%0.669SS.*SBendtrans-108.7109.4177.5-70172.5000110.8F288 G294 G295F288-L292 HydrophobicContact CD1-CD1 4.4Å; F288-L292 HydrophobicContact CE1-CD1 3.9Å; F288-L292 HydrophobicContact CZ-CD1 4.44Å; L292-G294 PolarHBondContact O-N 3.4Å; L292-G294 VanDerWaalsContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 3.38Å
293P40.4Very low48.8Very low139 Ų139115.7 Ų115.790%0.90369%0.685SS**THydrogen-bonded Turntrans-62.6113.1172.1-20.232.8000110.3
294G52.8Low47.8Very low77 Ų77117.4 Ų117.479%0.79469%0.693SS**THydrogen-bonded Turntrans110.29.3178.500000116.6L292L292-G294 PolarHBondContact O-N 3.4Å; L292-G294 VanDerWaalsContact O-N 3.11Å
295G39.5Very low46.8Very low55 Ų55116.1 Ų116.157%0.56770%0.697SS**PPolyproline II helixtrans-62132.7170.500000112.9L292L292-G295 PolarHBondContact O-N 3.38Å
296F43.3Very low45.6Very low202 Ų202116.5 Ų116.589%0.88671%0.705SS**PPolyproline II helixtrans-58.1140.5-177.9-75.1-97.1000113
297P46.2Very low44.3Very low98 Ų98124.5 Ų124.564%0.63673%0.728SS**PPolyproline II helixtrans-71.6140.8176.929.9-34.8000111.8T299P297-T299 PolarHBondContact O-N 3.15Å
298P47.7Very low43Very low125 Ų125130.7 Ų130.781%0.81275%0.748SS**  trans-76.790.2172.731.6-33.7000110.6
299T45.6Very low42Very low133 Ų133132 Ų13282%0.81676%0.76SS**  trans-74.7135.5169.847.40000110.6P297P297-T299 PolarHBondContact O-N 3.15Å
300G41.1Very low41Very low68 Ų68132.5 Ų132.570%0.70177%0.77SS**  trans137.616.8163.800000120.7
301M38.3Very low39.8Very low153 Ų153133.3 Ų133.375%0.75477%0.774SS**  trans-147116.7165.544.7-82.1-6200113.5T303M301-T303 PolarHBondContact O-N 3.43Å
302P39.8Very low38.8Very low131 Ų131130.9 Ų130.985%0.85177%0.768SS**  trans-83.9105.3175.732.2-31.7000111.1
303T36.3Very low38.1Very low129 Ų129131.4 Ų131.479%0.79178%0.78SS**PPolyproline II helixtrans-88.6118.6161.7540000109.3M301M301-T303 PolarHBondContact O-N 3.43Å
304L37.2Very low37.6Very low158 Ų158134.8 Ų134.883%0.82778%0.776SS**PPolyproline II helixtrans-60.2139.3173.7-63.5172.9000110.2T306L304-T306 PolarHBondContact O-N 3.11Å
305P37.6Very low37Very low116 Ų116136.9 Ų136.975%0.75378%0.776SS**PPolyproline II helixtrans-71.1122.3178.628.3-33.3000110.8Y307P305-Y307 PolarHBondContact O-N 3.4Å
306T32.2Very low36.4Very low131 Ų131139.7 Ų139.780%0.80479%0.787SS**PPolyproline II helixtrans-65.6119.3164.9-62.10000109.1L304 Q308L304-T306 PolarHBondContact O-N 3.11Å; T306-Q308 PolarHBondContact O-N 3.3Å
307Y33.5Very low35.8Very low210 Ų210137 Ų13782%0.82479%0.787SS**PPolyproline II helixtrans-63.6123.5169.2-117.4-96.6000109.5P305P305-Y307 PolarHBondContact O-N 3.4Å
308Q29.9Very low35.1Very low180 Ų180138.9 Ų138.984%0.84180%0.797SS**PPolyproline II helixtrans-84.5122.3166-74.2-177.9-24.900108.9T306T306-Q308 PolarHBondContact O-N 3.3Å
309L31.5Very low34.3Very low157 Ų157140.6 Ų140.682%0.82280%0.798SS**PPolyproline II helixtrans-90.3130.7158.2-100.683.8000108.7
310P36.2Very low33.5Very low124 Ų124139 Ų13981%0.80579%0.792SS**PPolyproline II helixtrans-74.8147.5164.6-16.632.3000112
311E28.9Very low32.9Very low183 Ų183144.1 Ų144.186%0.85580%0.798SS**PPolyproline II helixtrans-88.3125.2-176.8-170.669.4-148.600112.5
312S33.9Very low32.4Very low83 Ų83145.1 Ų145.158%0.5880%0.801SS**  trans15.7140.8153.2-160.50000122.9
313S27.7Very low32Very low107 Ų107141.9 Ų141.975%0.74879%0.791SS**  trans-161.286.5149.6-810000114.5
314Y29.4Very low31.7Very low210 Ų210140.8 Ų140.882%0.82479%0.789SS**  trans51167.3146.4-58.6-74.9000121.8
315P40.8Very low31.4Very low122 Ų122138.1 Ų138.179%0.79278%0.783SS**  cis-121.2-170.2-8.840-23.6000114.1
316S27.8Very low31.4Very low114 Ų114138.8 Ų138.880%0.79779%0.786SS**  trans-84.1153.9-171.6-39.40000116.7
317T30.1Very low31.7Very low145 Ų145140 Ų14089%0.8979%0.786SS**  trans-138.7177151.5430000110.8
318T30.8Very low31.6Very low137 Ų137139.2 Ų139.284%0.8479%0.79SS**  trans-118.6163.4-159.851.40000114.5
319L31.7Very low31.7Very low162 Ų162139.4 Ų139.485%0.84878%0.783SS**  trans137.8144.5133.6-161.862.8000115.3
320S28.4Very low32.3Very low99 Ų99138 Ų13869%0.69278%0.783SS**  trans-55.6166.6-169.2-45.40000120.8
321Q28.9Very low32.2Very low176 Ų176138 Ų13882%0.82277%0.772SS**  123.4107.3119-160.8163.9-4.700118.7
322E27.9Very low33.1Very low174 Ų174134.8 Ų134.881%0.81377%0.767SS**  trans55.1166.1132-133.3-86.410400121.2
323G30.6Very low33.2Very low62 Ų62137.8 Ų137.864%0.63978%0.776SS**  trans124.5124.5164.800000116.1
324S30.7Very low35Very low106 Ų106138.2 Ų138.274%0.74178%0.776SS**  trans-101.2143.2179.1-67.60000114.4
325S32Very low36.1Very low102 Ų102133.7 Ų133.771%0.71377%0.772SS**  trans42.8127.7146.463.40000121.7
326T36Very low35.8Very low131 Ų131133.5 Ų133.580%0.80477%0.774SS**  -177.3151.9106.325.70000115.7
327L38.2Very low36.1Very low157 Ų157132.8 Ų132.882%0.82277%0.769SS**  trans2.1132156.3-63.5162.6000122.1
328H32Very low36.3Very low193 Ų193133.1 Ų133.189%0.89476%0.762SS**  -157.7158.8113.4-127.8-87.8000114.3
329R32.9Very low36.6Very low184 Ų184135.8 Ų135.869%0.69477%0.765SS**  trans-138.3145-180163.1174.2176.5-168.8-0.7110
330P44Very low36.7Very low126 Ų126136.7 Ų136.782%0.81877%0.765SS**  -138.7179.6118.222-0.2000114.2
331Q34.6Very low36.8Very low125 Ų125135.8 Ų135.858%0.58477%0.771SS**  trans-119.2171.9-179.5-162.8-177.3-6.800109.8
332P46.8Very low36.9Very low115 Ų115131 Ų13175%0.74777%0.768SS**  -151.3177.2114.938.1-20.9000116.4
333L36.4Very low37.2Very low146 Ų146130.6 Ų130.676%0.76477%0.771SS**  trans-136.8-164.8160.8-69173.2000108.6
334P65.6Low37.1Very low116 Ų116132.8 Ų132.875%0.75378%0.777SS**  -106.1-172.2-109.542.4-24.6000113.3
335P51.5Low37.2Very low115 Ų115132.5 Ų132.575%0.74778%0.78SS**  -156.7161.68440.3-19.3000119.4
336S34Very low37Very low118 Ų118134.4 Ų134.483%0.82578%0.783SS**  trans20.3136.8142.8-44.70000124.9
337S34.5Very low36.7Very low100 Ų100132.5 Ų132.570%0.69978%0.775SS**  139.6153.999.5-1430000118.4
338M34Very low36.3Very low151 Ų151130.6 Ų130.674%0.74478%0.775SS**  trans65126.8159.4-64.7-60.598.400123
339H37Very low36.6Very low194 Ų194126.9 Ų126.990%0.89877%0.77SS**  trans-155.6136.7139.5-108.7-79.2000111.3
340Q35Very low36.5Very low181 Ų181122.5 Ų122.585%0.84677%0.773SS**  trans-92.5168.6166.5-61.5165.9-3.300108.9
341G31.1Very low36.1Very low80 Ų80127.2 Ų127.283%0.82578%0.776SS**  cis124.596.6-2.700000113.9
342G29.4Very low35.9Very low74 Ų74124.7 Ų124.776%0.76378%0.784SS**  trans149.2116.8163.200000120.1
343L34.1Very low35.3Very low167 Ų167127.2 Ų127.287%0.87479%0.79SS**  trans52.6117.5130.3-53.7176.8000124.6
344S30.1Very low35Very low108 Ų108125.2 Ų125.276%0.75579%0.788SS**  52.9134.5120.9-53.40000126
345A31.8Very low33.4Very low99 Ų99124.9 Ų124.982%0.81879%0.789SS**  trans69159.4153.500000117.7
346D29Very low32.6Very low143 Ų143126.4 Ų126.477%0.76579%0.791SS**  cis-151.7164.45.9-157.2-21.6000111.8
347S28.5Very low32.5Very low90 Ų90130.4 Ų130.463%0.62979%0.788SS**  trans67124.5140.8-860000125.8
348S29.7Very low32.5Very low118 Ų118134.4 Ų134.483%0.82580%0.795SS**  95.5140.4127.3-690000122.4
349S38.2Very low32.3Very low114 Ų114132.1 Ų132.180%0.79779%0.794SS**  trans-97.9155.7-162.9-43.50000115.1
350A32.2Very low32.1Very low92 Ų92132.1 Ų132.176%0.7679%0.792SS**  trans-155.5152.5154.800000115
351Y33.9Very low31.7Very low226 Ų226128.3 Ų128.389%0.88679%0.785SS**  trans-72.3170.3173.7-23.8-88.5000111.3
352G32Very low31.6Very low71 Ų71128.3 Ų128.373%0.73277%0.772SS**  cis166.2158.6-1.300000111.9
353L32.7Very low31.7Very low168 Ų168135 Ų13588%0.8878%0.776SS**  trans35.8114.9160.2-70.1168000123.4
354S30.7Very low31.6Very low104 Ų104131.6 Ų131.673%0.72777%0.766SS**  89.7144.3120.780.30000124.8
355S32.6Very low31.6Very low109 Ų109133.8 Ų133.876%0.76277%0.769SS**  trans72.694139.7-63.30000124.2
356N33.7Very low31.8Very low148 Ų148134.3 Ų134.379%0.79176%0.763SS**  43.4113117-174.692.8000121.6
357R31.8Very low31.9Very low202 Ų202136.9 Ų136.976%0.76277%0.767SS**  trans-155.4168.2132.4-105.3163-163.9-81.3-0.1107.1
358H34.2Very low32.3Very low184 Ų184140.2 Ų140.285%0.85278%0.775SS**  cis-141.9-178.647.2-30.1-79.6000112.7
359S30.5Very low32.5Very low103 Ų103139.7 Ų139.772%0.7277%0.771SS**  trans-158.5175-177.2-50.20000112.6
360F32.4Very low33.5Very low194 Ų194140.3 Ų140.385%0.85177%0.773SS**  trans74.8151.4178.5-102.4-119.1000115.4
361S28Very low33.3Very low101 Ų101141.5 Ų141.571%0.70678%0.775SS**  cis-160.3170.713-165.30000109.7
362S28.2Very low33.3Very low80 Ų80135 Ų13556%0.55977%0.768SS**  cis-175173.7-42.5-170.80000108.8
363Y30.5Very low33.2Very low214 Ų214137.5 Ų137.584%0.83978%0.775SS**  trans66156.5176.1-65.3-91000117.9
364S33.3Very low33.2Very low96 Ų96133.9 Ų133.967%0.67176%0.763SS**  cis-170.9134.4-35.253.80000113.1
365D29.9Very low33.5Very low153 Ų153136 Ų13682%0.81877%0.766SS**  trans51.6153.8147-105.5-61.6000128.1
366T35.3Very low33.9Very low111 Ų111137.9 Ų137.968%0.68176%0.763SS**  trans89.7129.1150.634.50000127.2
367F31.2Very low33.8Very low197 Ų197138.8 Ų138.886%0.86476%0.764SS**  trans79165.5150.2-85.6-72.3000123.7
368M37.3Very low34Very low160 Ų160135.8 Ų135.879%0.78876%0.764SS**  trans-137.3145.1-153.6-62.7-136.18000116.1
369S34.8Very low35.2Very low106 Ų106131.9 Ų131.974%0.74176%0.755SS**  trans61.5170.5149.3-63.70000118
370P58.6Low35.7Very low128 Ų128133.3 Ų133.383%0.83176%0.758SS**  cis-104.8-151.3-5.236.8-19.3000111
371S28.6Very low35.8Very low117 Ų117127.1 Ų127.182%0.81875%0.749SS**  cis-150.1-148.57.768.10000112.4
372A32.2Very low36.1Very low89 Ų89130.2 Ų130.274%0.73676%0.758SS**  trans-154.1154.6-172.100000115.3
373S30.8Very low36.4Very low124 Ų124129.6 Ų129.687%0.86776%0.764SS**  trans174.4160.1153.4-80.50000110.7
374S33.4Very low36.5Very low92 Ų92127.8 Ų127.864%0.64377%0.768SS**  cis-170.2159.2-39.2-165.20000109.4
375N36.3Very low36.6Very low148 Ų148127.7 Ų127.779%0.79177%0.767SS**  trans67.6157.5167-59.1-41.7000118.9
376H40.3Very low37.4Very low148 Ų148126.3 Ų126.369%0.68577%0.767SS**  cis-169158.9-32.7-168.3-77.7000109.1
377M31.7Very low37.5Very low167 Ų167129.8 Ų129.882%0.82378%0.775SS**  trans122.5122.5155.1-64.2-64.8167.600116.7
378N37.4Very low37.7Very low140 Ų140127 Ų12775%0.74978%0.775SS**  trans-126178.1168.2-169.515.8000106.5
379P58.8Low37.8Very low102 Ų102128 Ų12866%0.66278%0.779SS**  -157.4151.194.640-20.8000118.7
380V40.4Very low37.7Very low132 Ų132128.5 Ų128.580%0.878%0.783SS**  trans52.4141149.8-56.20000121.5
381G35.7Very low36.5Very low64 Ų64130.2 Ų130.266%0.6678%0.783SS**  cis170.6171.30.500000110
382N33.3Very low37.2Very low167 Ų167132.2 Ų132.289%0.89378%0.784SS**  cis-121.8-121.72.9-65.2-41.9000110.1
383G34.5Very low37.2Very low67 Ų67133.7 Ų133.769%0.69179%0.789SS**  cis141.3132-1.600000111.1
384L32.9Very low37.7Very low175 Ų175135.3 Ų135.392%0.91679%0.788SS**  cis-137.2126.1-1.5-76.1171.2000112.4
385S34.6Very low39.1Very low94 Ų94135.7 Ų135.766%0.65779%0.788SS**  trans32.2127143.5-158.90000124.5
386P47.9Very low38.5Very low125 Ų125134.2 Ų134.281%0.81279%0.789SS**  trans-111.8166144.839.1-30.2000113
387Q37.7Very low38Very low183 Ų183132 Ų13286%0.85580%0.797SS**  trans-145.9149.6174.8-71.6-167.3-8.700115.1
388V34.2Very low38.1Very low140 Ų140130.8 Ų130.885%0.84880%0.798SS**  trans-156.2156.3175.6-157.40000110.3
389M38.8Very low38.7Very low180 Ų180129.4 Ų129.489%0.88780%0.797SS**  trans121.5166.9151.7-65.5-166.6176.400119.1
390S32.8Very low37.3Very low117 Ų117130.1 Ų130.182%0.81881%0.805SS**  trans83.9145.2166.6-102.20000118
391I34.7Very low36.7Very low163 Ų163132.7 Ų132.784%0.83681%0.808SS**  cis-142.9172.93.2-38.2165.8000110.6
392L42.5Very low37.3Very low160 Ų160134.1 Ų134.184%0.83881%0.805SS**  trans-123.7148.1174.6-175.882.6000112.4
393S33.2Very low37.1Very low119 Ų119133.5 Ų133.583%0.83280%0.797SS**  trans-165.8162.1164.5-89.60000114.4
394N39.8Very low36.9Very low158 Ų158137.3 Ų137.385%0.84580%0.797SS**  trans-154.8-168.5-179.5-147.516.3000107.5
395P62.7Low36.6Very low100 Ų100134.6 Ų134.665%0.64978%0.783SS**  cis-133.8-174-17.544-27.8000114.8
396S25.6Very low36.5Very low117 Ų117138.9 Ų138.982%0.81879%0.79SS**  trans171.3149.5136.9-820000118.4
397A29.7Very low35.6Very low102 Ų102138.5 Ų138.584%0.84379%0.791SS**  trans74.5152150.100000123.7
398V33.4Very low35.3Very low141 Ų141137.4 Ų137.486%0.85579%0.789SS**  trans-171.9159.7-164.5137.70000106.8
399P50.3Low35.3Very low111 Ų111135.9 Ų135.972%0.72179%0.785SS**  cis-140.7-158.524.234.9-9.1000116.5
400S27.8Very low35.3Very low118 Ų118133.2 Ų133.283%0.82578%0.781SS**  trans119.1150.7142.7-61.70000120.4
401Q29.4Very low35.4Very low185 Ų185135.6 Ų135.686%0.86478%0.784SS**  trans-132.6179.5-177.6-123.6-156.1-3.100109.2
402P48.2Very low35.2Very low94 Ų94136.2 Ų136.261%0.6178%0.783SS**  cis-137.9-171.7-3.731.9-7.4000116.6
403Q28.5Very low34.5Very low155 Ų155133 Ų13372%0.72477%0.773SS**  trans106.9145.2150.4-67.9-62.40.600123.7
404H29.6Very low34.3Very low147 Ų147132.4 Ų132.468%0.68177%0.769SS**  trans67.492.3161.7-67.5-56.1000123.4
405D28Very low33.9Very low118 Ų118133.2 Ų133.263%0.63177%0.772SS**  79.8144.6112.4-79.1-56.1000125.9
406F30.9Very low32.3Very low183 Ų183136.9 Ų136.980%0.80378%0.781SS**  trans45.999.4166.8-56.7-63000119.3
407S29.3Very low32.6Very low118 Ų118136.7 Ų136.783%0.82578%0.78SS**  -170.8160.874.6-70.70000113.4
408I32.4Very low32.6Very low159 Ų159137.4 Ų137.482%0.81578%0.779SS**  trans-122.9128.6-169.9-54.2172.7000108.1
409S33.7Very low33Very low109 Ų109138.2 Ų138.276%0.76278%0.778SS**  -170.9151.678.1-530000112.8
410P38.8Very low32.9Very low123 Ų123138.3 Ų138.380%0.79978%0.779SS**  trans-97.2177.2167.938.6-34.2000113.9
411L34Very low33.2Very low168 Ų168139.9 Ų139.988%0.8878%0.776SS**  trans-65.7153.1176.4-55.5164.2000113.5
412H30.5Very low33.3Very low176 Ų176136.6 Ų136.682%0.81577%0.773SS**  -172.5155.3114.4-166.6-118.6000114
413S29.6Very low32.5Very low91 Ų91136 Ų13664%0.63678%0.777SS**  trans-39.3139.9-178.8-45.80000120.1
414S28.4Very low32.5Very low107 Ų107134.4 Ų134.475%0.74878%0.783SS**  -171.9137.6121.2-171.70000111.3
415L31.1Very low32.6Very low175 Ų175132.5 Ų132.592%0.91679%0.785SS**  trans-144.5100.7163.1-83.8-177.1000111.5
416E28.8Very low32.9Very low178 Ų178132.1 Ų132.183%0.83279%0.791SS**  trans-76.7154157.5-172.271-147.900109.2
417S31.1Very low32.9Very low113 Ų113131.8 Ų131.879%0.7979%0.792SS**  trans-91.2133.8-178.3-64.30000113.2
418S31.6Very low32.9Very low117 Ų117136.5 Ų136.582%0.81879%0.792SS**  trans-156141.3160.654.40000113.7
419N40.2Very low33Very low158 Ų158132.5 Ų132.585%0.84578%0.778SS**  trans-96.8161.1-179.7-69.2-11.9000112.2
420P49.2Very low32.8Very low113 Ų113134.4 Ų134.473%0.73478%0.78SS**  trans-111.9176132.46.814.8000109.9
421I34Very low32.5Very low151 Ų151134.2 Ų134.277%0.77478%0.781SS**  cis-156.9151.824.9-4.7178.4000110.4
422S32.1Very low32.6Very low115 Ų115133 Ų13380%0.80477%0.774SS**  trans60.3151.3147.5-64.70000121.7
423A30.6Very low32.8Very low82 Ų82134 Ų13468%0.67878%0.776SS**  cis-167.4160-16.400000111.9
424S29.5Very low32.7Very low122 Ų122134.4 Ų134.485%0.85378%0.779SS**  trans62.6158.8157.8-70.50000121.3
425C30Very low33Very low106 Ų106135.1 Ų135.172%0.71678%0.779SS**  cis-172119.3-30.2-178.10000111.7
426S34Very low33Very low110 Ų110133.6 Ų133.677%0.76977%0.771SS**  trans60.5160.7158.1-51.20000118.9
427Q31.4Very low33.1Very low176 Ų176131.3 Ų131.382%0.82278%0.775SS**  cis-130.1148.8-0.8-71-172.776.600108.7
428R30.3Very low33.2Very low218 Ų218134.1 Ų134.182%0.82378%0.78SS**  38.9142.588.4-89.6-178.9165.7-92.87.9116.2
429S33.9Very low33.2Very low75 Ų75133 Ų13352%0.52478%0.779SS.*  cis-179.5162.8-27.846.60000108.8
430D29Very low32.8Very low149 Ų149131.1 Ų131.180%0.79778%0.778SS**  trans116.9148.3154.8-56.2-28.1000118.4
431S32.5Very low32.2Very low119 Ų119130.7 Ų130.783%0.83278%0.777SS**  trans-165.1115175.8-178.20000111.7
432I36.4Very low32Very low143 Ų143132.3 Ų132.373%0.73378%0.782SS**  trans-146.9116.8178.7-56.4-178.7000111
433K34.9Very low32Very low196 Ų196130.9 Ų130.985%0.85277%0.772SS**  trans41.2131.8152.7-52.8170.8-177177.40120.8
434S27.4Very low32Very low100 Ų100137.6 Ų137.670%0.69978%0.781SS**  149.8135.996-147.90000116.1
435V34.3Very low32.3Very low122 Ų122137.1 Ų137.174%0.73978%0.776SS**  trans49.5139150.5-620000125.8
436D32.1Very low33.1Very low143 Ų143138 Ų13877%0.76578%0.781SS**  trans40.4123.1143.2-66.7-74.1000124.7
437S29.9Very low33.9Very low129 Ų129139 Ų13990%0.90278%0.784SS**  -179.9177.7118.5-80.20000113.5
438L34.3Very low34.1Very low172 Ų172136.9 Ų136.990%0.90178%0.784SS**  trans-118.6164.5-155.6-147.779.7000115.9
439A31.6Very low34.1Very low95 Ų95137.2 Ų137.279%0.78579%0.787SS**  trans69.6153.6164.200000117.3
440S30.8Very low34Very low118 Ų118138.5 Ų138.583%0.82580%0.796SS**  cis-147.1-169.119.3-163.30000113.4
441S37.4Very low34.2Very low104 Ų104134.9 Ų134.973%0.72779%0.786SS**  trans-104.2177.8-165.3-56.10000115.8
442Q30.1Very low34.3Very low185 Ų185135.8 Ų135.886%0.86479%0.787SS**  trans89.5152.2166.8-62.2-171.295.300118.4
443S32.5Very low34Very low85 Ų85132.7 Ų132.759%0.59478%0.778SS**  cis-176.5171-45.349.50000111.5
444Y29.4Very low33.9Very low223 Ų223134.2 Ų134.288%0.87578%0.78SS**  trans80.5161.1163.2-88.2-85.7000120.4
445C36.7Very low34.3Very low112 Ų112132.3 Ų132.376%0.75778%0.776SS**  trans-119.2162-161-46.10000112.8
446P46.2Very low34.2Very low124 Ų124134.1 Ų134.181%0.80579%0.787SS**  trans-92.7149.5164.735.6-31.9000113.2
447P49.8Very low34.2Very low130 Ų130134.7 Ų134.784%0.84479%0.79SS**  trans-100.9-179.8178.739.5-36000114.7
448T35.9Very low35.6Very low133 Ų133133.4 Ų133.482%0.81678%0.779SS**  trans-106.2145.1-177.153.10000113.9
449Y30.7Very low35.5Very low225 Ų225131.2 Ų131.288%0.88277%0.772SS**  trans-160.3177.1144.8-144-112.5000113.6
450S32.8Very low35.5Very low102 Ų102133.3 Ų133.371%0.71378%0.775SS**  trans-138.7-167.4-174.9-51.50000109.6
451A32.5Very low35.7Very low73 Ų73132.2 Ų132.260%0.60377%0.773SS**  cis-159.6-175.12.900000109
452T34.5Very low35.2Very low137 Ų137130.5 Ų130.584%0.8477%0.772SS**  trans65.5155.7155.539.70000117.6
453S30.9Very low35.1Very low78 Ų78131.7 Ų131.755%0.54577%0.77SS.*  cis-172.3162.7-941.70000111.4
454Y32.6Very low35.1Very low229 Ų229134.8 Ų134.890%0.89878%0.775SS**  trans69.3152.9171.5-50.1-76.9000116.5
455G34.3Very low35Very low60 Ų60133.9 Ų133.962%0.61977%0.772SS**  cis169.3168.4-9.400000114.1
456V33.3Very low34.7Very low159 Ų159132.3 Ų132.396%0.96476%0.762SS**  trans70.7140.1170-52.50000121.7
457D31.8Very low33.9Very low155 Ų155132.9 Ų132.983%0.82975%0.754SS**  trans-121.6-167.4172.9-139.6-7.8000105.8
458P60.4Low33Very low102 Ų102137 Ų13766%0.66275%0.754SS**  cis-142.1-151.39.235.4-8.5000114.9
459V31Very low32.8Very low127 Ų127134.4 Ų134.477%0.7775%0.754SS**  trans90.6129.3164.7-176.80000114.9
460T32.6Very low32.7Very low138 Ų138132.2 Ų132.285%0.84775%0.752SS**  cis-134166.219.3-32.20000113.2
461A33.9Very low32.9Very low95 Ų95133.3 Ų133.379%0.78575%0.754SS**  trans-100.8166.2-178.200000115.6
462G27.6Very low32.9Very low68 Ų68134.2 Ų134.270%0.70176%0.761SS**  trans-17072.3179.400000117.1
463Y28.5Very low33.6Very low210 Ų210133.9 Ų133.982%0.82476%0.759SS**  trans33.8140.1145.9-70.5-100.7000122.4
464Q31.4Very low33.6Very low151 Ų151137.3 Ų137.371%0.70677%0.771SS**  cis-173144.9-13.2-162.3-173.6-3.900111
465Y27.7Very low33.6Very low204 Ų204135.9 Ų135.980%0.877%0.765SS**  trans55.2143.7160-106.4-134.2000119.3
466S30Very low33.6Very low78 Ų78140.4 Ų140.455%0.54578%0.775SS.*  cis-153.3174.922.8-147.60000108.8
467Q28.8Very low33.6Very low137 Ų137136.7 Ų136.764%0.6476%0.761SS**  cis-157.2-1804.6-152.4150.3-40.100111
468Y32Very low33.7Very low217 Ų217139.1 Ų139.185%0.85176%0.764SS**  trans24.2124.2161.6-73.4-54.6000121
469G31.2Very low32.3Very low78 Ų78142 Ų14280%0.80477%0.773SS**  trans15118.7151.600000121.2
470Q29.3Very low32.4Very low179 Ų179142.9 Ų142.984%0.83678%0.779SS**  trans-62.5140.8172.4-77.4-179-900111
471T36.6Very low32.3Very low124 Ų124141.4 Ų141.476%0.76177%0.774SS**  54.2146.366.575.30000113.2
472A32.5Very low32.2Very low92 Ų92144.9 Ų144.976%0.7678%0.779SS**  cis-151-17421.600000114.3
473V50.1Low32.4Very low130 Ų130146.6 Ų146.679%0.78878%0.78SS**  trans-74.2168.2169.1-67.70000113
474D29.9Very low32.5Very low150 Ų150142.5 Ų142.580%0.80278%0.777SS**  trans-145.5169.3156.1-139.8-39.9000112.7
475Y31.7Very low32.6Very low199 Ų199143.6 Ų143.678%0.7878%0.782SS**  trans-88.4168.4-160.8-73.8-111.7000113.6
476L34.4Very low33.1Very low156 Ų156145.8 Ų145.882%0.81779%0.789SS**  179.4139.757-176.259.4000114.5
477A33.3Very low33.3Very low81 Ų81153.5 Ų153.567%0.66981%0.806SS**  trans30.9134.2153.300000124
478K34.4Very low33.7Very low206 Ų206155.6 Ų155.690%0.89682%0.818SS**  -163.1139.4104.9-104.6163.9-173.5173.50112.9
479N31.4Very low33.7Very low161 Ų161154.7 Ų154.786%0.86182%0.819SS**  trans-90.2152.6171.2-68.2-37.7000110.8
480V32.4Very low33.8Very low146 Ų146157.9 Ų157.989%0.88582%0.817SS**  trans-170.8138.9132.3137.20000109.6
481S31Very low34.1Very low107 Ų107152 Ų15275%0.74881%0.805SS**  trans-81.1157.4177.4-48.20000112.2
482L32Very low33.9Very low168 Ų168153.4 Ų153.488%0.8881%0.807SS**  -166.9148.7126.8-108.2166.6000112.8
483S32Very low34.1Very low105 Ų105158 Ų15873%0.73481%0.812SS**  trans-114.3131171.4178.50000108.9
484T30.7Very low33.3Very low124 Ų124157.3 Ų157.376%0.76181%0.813SS**  trans-139.390173.8-46.80000106.9
485Q32.4Very low33.7Very low173 Ų173154.4 Ų154.481%0.80881%0.81SS**  63.5122.580-161.5-179.157.700112.5R487Q485-R487 PolarHBondContact O-N 3.16Å
486R38.9Very low34Very low251 Ų251151.4 Ų151.495%0.94781%0.812SS**  trans-62.8133.3175.8-66.3174.6175.4171.5-2.7109.7
487R35.3Very low34.3Very low239 Ų239152 Ų15290%0.90282%0.816SS**  trans-126.3117.6162.2-169.2170.5-178.8-174.20.1109.7Q485Q485-R487 PolarHBondContact O-N 3.16Å
488M35.8Very low34.4Very low181 Ų181151.5 Ų151.589%0.89282%0.818SS**  trans-65.8142.5166.1-70.7176.7169.800108.8
489K33.3Very low34.7Very low199 Ų199150.6 Ų150.687%0.86582%0.822SS**  trans-116.297.8176.7-171.3171-176.1-179.80108.9
490L33.3Very low35Very low144 Ų144151 Ų15175%0.75482%0.823SS**  trans-60.2146.2153-87.273.5000107.7
491G34.4Very low35.3Very low57 Ų57152.4 Ų152.459%0.58882%0.82SS**  trans-104.6111.2167.300000108.5H493G491-H493 PolarHBondContact O-CD2 3.11Å; G491-H493 PolarHBondContact O-N 3.43Å
492D33.5Very low35.6Very low152 Ų152154.3 Ų154.381%0.81383%0.827SS**  trans-69.8125.9173.9-57.9-62.8000109.5S494D492-S494 PolarHBondContact O-N 3.36Å
493H36.3Very low35.8Very low188 Ų188153.3 Ų153.387%0.8782%0.818SS**  trans-81.3109179.9-78.2-106.5000110.2G491G491-H493 PolarHBondContact O-CD2 3.11Å; G491-H493 PolarHBondContact O-N 3.43Å
494S32.8Very low36.3Very low116 Ų116154.8 Ų154.881%0.81182%0.823SS**  trans-82.6113.2163.8-174.40000109.4D492D492-S494 PolarHBondContact O-N 3.36Å
495A39.3Very low36.6Very low89 Ų89152.4 Ų152.474%0.73682%0.822SS**  trans-135.393.5175.400000109.4L497A495-L497 PolarHBondContact O-N 3.12Å
496V38.2Very low36.9Very low136 Ų136153.1 Ų153.182%0.82483%0.826SS**  trans-83.1109.9172.8174.90000108.5
497L39.8Very low37.1Very low169 Ų169145 Ų14589%0.88581%0.813SS**  trans-145.1134.2169.5-79.1-177.6000112.4A495A495-L497 PolarHBondContact O-N 3.12Å
498G35.7Very low37.4Very low70 Ų70148.4 Ų148.472%0.72283%0.828SS**  trans60.488.4141.900000118.8L500G498-L500 PolarHBondContact O-N 3.12Å
499L39.3Very low37.5Very low187 Ų187146.8 Ų146.898%0.97983%0.825SS**  trans-63.9115.8143.4-88.7165.5000108.2
500L38.5Very low37.7Very low169 Ų169144 Ų14489%0.88582%0.822SS**  trans-135.2134.1165.4-110.7170.1000109G498G498-L500 PolarHBondContact O-N 3.12Å
501Q38.4Very low37.9Very low176 Ų176144 Ų14482%0.82283%0.826SS**  trans-102.3124.1-165.7178.8176.8-16.500109.8
502V38.4Very low38.1Very low147 Ų147149.1 Ų149.189%0.89184%0.84SS**  trans-134.7144.7170.7-176.90000108.2
503E36.5Very low38.4Very low148 Ų148148.9 Ų148.969%0.69284%0.842SS**  trans-121.8151.8-161.1-152.4-170.3130.100111.7
504T42.3Very low38.6Very low136 Ų136146.3 Ų146.383%0.83484%0.84SS**  trans61.1147.9167.562.30000120
505G36.3Very low39Very low73 Ų73148.5 Ų148.575%0.75384%0.842SS**  trans148.778.5156.800000117.9
506Q39.4Very low39Very low188 Ų188153.1 Ų153.188%0.87985%0.85SS**  trans42.6125.4152.4-77.2-174-15.600121
507A41.4Very low39Very low82 Ų82154.5 Ų154.568%0.67885%0.853SS**  68.1139.89400000114.7
508Y42.4Very low39Very low309 Ų309153.2 Ų153.2100%1.21285%0.85SS**  cis-111.2015.8-94.4-111.3000114.2

Retrieved 508 of 508 residues in 1188.6 ms (Link to these results)