A0A077YXZ1_TRITR Loading...

Serine

AlphaFold DB , UniProt , Accession A0A077YXZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,006 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
1M38.3Very low36.2Very low214 Ų214148.9 Ų148.9100%1.05475%0.747SS**  0132.80-65.4179.6179.200108.8
2P33.9Very low36.9Very low133 Ų133149 Ų14986%0.86474%0.739SS**  trans-82116.6170.832-30.3000110
3F38.4Very low37.2Very low186 Ų186149.2 Ų149.282%0.81674%0.736SS**  trans-98.2107.5172.825.4-95.5000109.7L5F3-L5 PolarHBondContact O-N 2.77Å
4T32.5Very low37.6Very low126 Ų126145 Ų14577%0.77371%0.709SS**  trans-57.5124.2166.447.20000109.6R6T4-R6 PolarHBondContact O-N 3.1Å
5L33.2Very low37.9Very low162 Ų162140.7 Ų140.785%0.84870%0.698SS**  trans-57.6109.1162.7-80.8167.3000108.1F3 T7F3-L5 PolarHBondContact O-N 2.77Å; L5-T7 PolarHBondContact O-N 2.77Å
6R32Very low38.2Very low225 Ų225137.2 Ų137.285%0.84969%0.691SS**  trans-71.485.1161.9-73.5-174.1179.8176.60.8107.5T4 V8T4-R6 PolarHBondContact O-N 3.1Å; R6-V8 PolarHBondContact O-N 3.38Å; R6-V8 VanDerWaalsContact O-N 3.1Å
7T35.8Very low38.5Very low117 Ų117138.6 Ų138.672%0.71870%0.698SS**  trans-47.6116.9146.7440000106.4L5 D9L5-T7 PolarHBondContact O-N 2.77Å; T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 3.42Å
8V36.2Very low38.4Very low119 Ų119139.2 Ų139.272%0.72170%0.702SS**  trans-68.1103.1178.3-177.10000106.1R6 Q10R6-V8 PolarHBondContact O-N 3.38Å; R6-V8 VanDerWaalsContact O-N 3.1Å; V8-Q10 HydrophobicContact CB-CG 4.46Å; V8-Q10 HydrophobicContact CG1-CG 3.84Å; V8-Q10 PolarHBondContact O-N 3.29Å
9D37.4Very low38.6Very low76 Ų76142.5 Ų142.541%0.40671%0.711SS.*  trans-76.264.1-171.8-163.4-14.4000109.9T7 Y11 K12T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 3.42Å; D9-Y11 PolarHBondContact O-N 2.85Å; D9-K12 PolarHBondContact O-N 3.07Å; D9-K12 IonicContact OD1-NZ 3.74Å; D9-K12 WeakPolarHBondContact OD2-CD 3.29Å; D9-K12 WeakPolarHBondContact OD2-CE 3.46Å; D9-K12 IonicContact OD2-NZ 3.18Å; D9-K12 PolarHBondContact OD2-NZ 3.33Å
10Q43.5Very low38.4Very low93 Ų93141.7 Ų141.744%0.43571%0.714SS.*Hα-helixtrans-59-28.5-176.3-68.1-173.3-17.700111V8 K12 H13 Y14V8-Q10 HydrophobicContact CB-CG 4.46Å; V8-Q10 HydrophobicContact CG1-CG 3.84Å; V8-Q10 PolarHBondContact O-N 3.29Å; Q10-K12 VanDerWaalsContact C-N 3.3Å; Q10-K12 PolarHBondContact O-N 3.34Å; Q10-H13 CarbonylContact O-C 3.51Å; Q10-H13 WeakPolarHBondContact O-CA 3.25Å; Q10-H13 PolarHBondContact O-N 3.21Å; Q10-Y14 WeakPolarHBondContact O-CD2 3.39Å; Q10-Y14 PolarHBondContact O-N 3.39Å
11Y37.5Very low38.1Very low187 Ų187139.3 Ų139.373%0.73372%0.716SS**Hα-helixtrans-52.6-43.5170.4-108.5-90.7000112.8D9 H13 Y14 C15D9-Y11 PolarHBondContact O-N 2.85Å; Y11-H13 PolarHBondContact O-N 2.98Å; Y11-Y14 PolarHBondContact O-N 2.9Å; Y11-Y14 VanDerWaalsContact O-N 3.15Å; Y11-C15 PolarHBondContact O-N 3.29Å; Y11-C15 PolarHBondContact O-SG 2.76Å
12K43.9Very low38.1Very low150 Ų150135.3 Ų135.365%0.65271%0.705SS**Hα-helixtrans-67.1-21.4176.3-74.2-173.3176.365.40114D9 Q10D9-K12 PolarHBondContact O-N 3.07Å; D9-K12 IonicContact OD1-NZ 3.74Å; D9-K12 WeakPolarHBondContact OD2-CD 3.29Å; D9-K12 WeakPolarHBondContact OD2-CE 3.46Å; D9-K12 IonicContact OD2-NZ 3.18Å; D9-K12 PolarHBondContact OD2-NZ 3.33Å; Q10-K12 VanDerWaalsContact C-N 3.3Å; Q10-K12 PolarHBondContact O-N 3.34Å
13H41.3Very low38Very low151 Ų151135.3 Ų135.370%0.69970%0.701SS**Hα-helixtrans-88.3-23.8172.6-120.7-52.3000113.3Q10 Y11 S16Q10-H13 CarbonylContact O-C 3.51Å; Q10-H13 WeakPolarHBondContact O-CA 3.25Å; Q10-H13 PolarHBondContact O-N 3.21Å; Y11-H13 PolarHBondContact O-N 2.98Å; H13-S16 PolarHBondContact O-OG 3.14Å
14Y43.4Very low37.8Very low91 Ų91129.8 Ų129.836%0.35770%0.697SS.*Hα-helixtrans-75.5-39.3171.3-86.4-123.5000111.2Q10 Y11 S16 M17 L49Q10-Y14 WeakPolarHBondContact O-CD2 3.39Å; Q10-Y14 PolarHBondContact O-N 3.39Å; Y11-Y14 PolarHBondContact O-N 2.9Å; Y11-Y14 VanDerWaalsContact O-N 3.15Å; Y14-S16 PolarHBondContact O-N 3.47Å; Y14-S16 VanDerWaalsContact O-N 3.11Å; Y14-M17 PolarHBondContact O-N 2.79Å; Y14-M17 VanDerWaalsContact O-N 3.15Å; Y14-L49 HydrophobicContact CD1-CD2 4.22Å; Y14-L49 HydrophobicContact CE1-CD1 3.66Å; Y14-L49 HydrophobicContact CE1-CD2 3.78Å; Y14-L49 HydrophobicContact CE1-CG 3.66Å; Y14-L49 HydrophobicContact CE2-CD1 4.49Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.43Å
15C41.3Very low37.9Very low81 Ų81129.8 Ų129.855%0.54770%0.697SS.*THydrogen-bonded Turntrans-61.7-18.4177.5-66.90000114.4Y11 M17Y11-C15 PolarHBondContact O-N 3.29Å; Y11-C15 PolarHBondContact O-SG 2.76Å; C15-M17 VanDerWaalsContact C-N 3.34Å
16S42.4Very low38.1Very low84 Ų84129 Ų12959%0.58770%0.699SS**THydrogen-bonded Turntrans-82.4-4.8177.260.90000114.8H13 Y14H13-S16 PolarHBondContact O-OG 3.14Å; Y14-S16 PolarHBondContact O-N 3.47Å; Y14-S16 VanDerWaalsContact O-N 3.11Å
17M43Very low38.4Very low162 Ų162124.7 Ų124.780%0.79870%0.698SS**SBendtrans-94.3-13.3175.6-76.4-76.2-75.500113.5Y14 C15 K19Y14-M17 PolarHBondContact O-N 2.79Å; Y14-M17 VanDerWaalsContact O-N 3.15Å; C15-M17 VanDerWaalsContact C-N 3.34Å; M17-K19 PolarHBondContact O-N 3.04Å
18L37.7Very low38.5Very low149 Ų149123.7 Ų123.778%0.7870%0.702SS**  trans-74.574.6172.3-85.9165.3000110.4T20L18-T20 PolarHBondContact O-N 2.99Å; L18-T20 VanDerWaalsContact O-N 3.08Å
19K41.8Very low38.4Very low201 Ų201126.4 Ų126.487%0.87471%0.707SS**  trans-7596.1177.7-138.8-177.8-173.6-174.70109.5M17M17-K19 PolarHBondContact O-N 3.04Å
20T34.3Very low38.3Very low126 Ų126128.5 Ų128.577%0.77372%0.724SS**  trans-58.2149.9167.447.60000111.9L18L18-T20 PolarHBondContact O-N 2.99Å; L18-T20 VanDerWaalsContact O-N 3.08Å
21A33.3Very low38.2Very low92 Ų92133.2 Ų133.276%0.7675%0.746SS**  trans73.8138.8165.400000116
22T37.1Very low38.3Very low131 Ų131129.1 Ų129.180%0.80475%0.751SS**  cis-144.4137.65.4-370000110.4G24T22-G24 PolarHBondContact O-N 3.36Å
23V32.7Very low38.1Very low132 Ų132125.6 Ų125.680%0.876%0.757SS**  trans-80.3106.9163.3176.90000107.5T25V23-T25 HydrophobicContact CG1-CG2 4.31Å
24G34.5Very low38.2Very low71 Ų71125.7 Ų125.773%0.73276%0.763SS**  trans-96.1102.4177.100000111.2T22T22-G24 PolarHBondContact O-N 3.36Å
25T33.2Very low38.1Very low126 Ų126130.2 Ų130.277%0.77379%0.788SS**  trans-90.7106.8173.7480000111.2V23V23-T25 HydrophobicContact CG1-CG2 4.31Å
26T39.1Very low37.9Very low144 Ų144132.6 Ų132.688%0.88380%0.799SS**  trans-146.3147.2156.529.40000110.8
27T37.6Very low37.9Very low136 Ų136137.7 Ų137.783%0.83481%0.814SS**  trans-87.5155.9-170.142.90000114.3
28A36.7Very low37.8Very low96 Ų96134.9 Ų134.979%0.79381%0.81SS**  trans56.6107.1151.500000119.1
29Q34.5Very low38.1Very low176 Ų176134.6 Ų134.682%0.82282%0.815SS**  -156.4134.197.1-166.8169.5-2.200110.6
30P36.3Very low38Very low119 Ų119127.9 Ų127.977%0.77380%0.803SS**  trans-89.1121176.932.9-31.1000111.7
31Q40.4Very low38.6Very low192 Ų192127.2 Ų127.290%0.89780%0.803SS**  trans-145.1139.9155.8-115178.310.800110.8
32A39Very low39.3Very low101 Ų101125 Ų12584%0.83578%0.782SS**  trans-82.3135.7-169.900000112.1
33G41Very low40Very low76 Ų76124 Ų12478%0.78478%0.778SS**  trans-153.562.8-179.300000111Q35G33-Q35 PolarHBondContact O-N 3.1Å; G33-Q35 VanDerWaalsContact O-N 3.16Å
34N43Very low41.1Very low153 Ų153121.7 Ų121.782%0.81876%0.761SS**  trans-63.2113-175.3-68.9-18.7000112.1
35Q40.6Very low42.2Very low187 Ų187123.2 Ų123.287%0.87475%0.753SS**  -145.9144.3113.1-75.8-1447.500110G33G33-Q35 PolarHBondContact O-N 3.1Å; G33-Q35 VanDerWaalsContact O-N 3.16Å
36V37.8Very low43.6Very low131 Ų131119.4 Ų119.479%0.79474%0.738SS**  trans-107.8106.8-178.61770000108.6
37E42.7Very low44.8Very low190 Ų190117 Ų11789%0.88872%0.72SS**  trans-101.4116.8153.2-71.8-157.2138.100108.2T39E37-T39 PolarHBondContact O-N 3.43Å
38S40Very low46.3Very low103 Ų103115.7 Ų115.772%0.7270%0.704SS**  trans-72.1115-170.443.30000111.4G40S38-G40 PolarHBondContact O-N 3.33Å
39T44.7Very low47.8Very low144 Ų144115.4 Ų115.488%0.88369%0.688SS**  trans-68.573.115326.50000108.6E37 S41E37-T39 PolarHBondContact O-N 3.43Å; T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.06Å
40G39.6Very low49.8Very low60 Ų60111.1 Ų111.162%0.61968%0.675SS**  trans-68.188.4179.100000110.7S38 S42S38-G40 PolarHBondContact O-N 3.33Å; G40-S42 PolarHBondContact O-N 2.86Å
41S47.6Very low51.8Low112 Ų112110.9 Ų110.978%0.78366%0.663SS**  trans-65.180.3162.156.90000108.6T39T39-S41 VanDerWaalsContact C-N 3.34Å; T39-S41 PolarHBondContact O-N 3.06Å
42S46.4Very low53.9Low44 Ų44105.9 Ų105.931%0.30865%0.646SS.*  trans-65.5131.9-175.2-172.60000109.9G40 D44 D45G40-S42 PolarHBondContact O-N 2.86Å; S42-D44 PolarHBondContact O-N 3.26Å; S42-D44 WeakPolarHBondContact OG-CB 3.47Å; S42-D44 PolarHBondContact OG-N 3.48Å; S42-D44 PolarHBondContact OG-OD2 3.14Å; S42-D45 PolarHBondContact O-N 3.38Å; S42-D45 VanDerWaalsContact O-N 3.14Å
43P52.6Low56.1Low112 Ų112102.8 Ų102.873%0.72762%0.62SS**THydrogen-bonded Turntrans-59.9-16.2169.727-34.7000112.2D45P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.24Å
44D56Low58.3Low83 Ų83104.4 Ų104.444%0.44461%0.61SS.*Hα-helixtrans-63.8-22.9174.1-66.3-48.5000114.1S42 G46 L47 Q48S42-D44 PolarHBondContact O-N 3.26Å; S42-D44 WeakPolarHBondContact OG-CB 3.47Å; S42-D44 PolarHBondContact OG-N 3.48Å; S42-D44 PolarHBondContact OG-OD2 3.14Å; D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact O-N 3.41Å; D44-L47 CarbonylContact O-C 3.57Å; D44-L47 WeakPolarHBondContact O-CA 3.31Å; D44-L47 PolarHBondContact O-N 3.29Å; D44-Q48 WeakPolarHBondContact O-CB 3.33Å; D44-Q48 WeakPolarHBondContact O-CG 3.33Å; D44-Q48 PolarHBondContact O-N 3.11Å
45D57.3Low60.4Low103 Ų103101.2 Ų101.255%0.55159%0.592SS**Hα-helixtrans-64.3-35.6-177.1-80.1-6.1000111.9S42 P43 Q48 L49S42-D45 PolarHBondContact O-N 3.38Å; S42-D45 VanDerWaalsContact O-N 3.14Å; P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.24Å; D45-Q48 PolarHBondContact OD1-NE2 3.45Å; D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.49Å
46G63.5Low62.7Low46 Ų4693.2 Ų93.247%0.47456%0.558SS.*Hα-helixtrans-68.8-34.4171.400000113D44 T50D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact O-N 3.41Å; G46-T50 WeakPolarHBondContact O-CG2 3.49Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 2.93Å
47L62.8Low65.2Low94 Ų9490 Ų9049%0.49254%0.541SS..Hα-helixtrans-73-39176.4-65.5174.8000111.8D44 T50 Q51D44-L47 CarbonylContact O-C 3.57Å; D44-L47 WeakPolarHBondContact O-CA 3.31Å; D44-L47 PolarHBondContact O-N 3.29Å; L47-T50 WeakPolarHBondContact CA-OG1 3.49Å; L47-T50 PolarHBondContact O-OG1 2.79Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; L47-Q51 VanDerWaalsContact O-CB 3.28Å; L47-Q51 WeakPolarHBondContact O-CB 3.4Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L47-Q51 PolarHBondContact O-N 3.32Å
48Q70.5Confident67.5Low108 Ų10885.5 Ų85.551%0.50552%0.522SS..Hα-helixtrans-65.8-44.3174-73.9-178.573.600110.9D44 D45 T50 Q51 V52D44-Q48 WeakPolarHBondContact O-CB 3.33Å; D44-Q48 WeakPolarHBondContact O-CG 3.33Å; D44-Q48 PolarHBondContact O-N 3.11Å; D45-Q48 PolarHBondContact OD1-NE2 3.45Å; Q48-T50 PolarHBondContact O-N 3.36Å; Q48-Q51 PolarHBondContact O-N 3.32Å; Q48-V52 WeakPolarHBondContact O-CB 3.35Å; Q48-V52 VanDerWaalsContact O-CG2 3.31Å; Q48-V52 WeakPolarHBondContact O-CG2 3.13Å; Q48-V52 PolarHBondContact O-N 2.82Å
49L66.8Low69.9Low89 Ų8989.4 Ų89.447%0.46652%0.521SS..Hα-helixtrans-62.4-44.4177.9-16769.3000111.7Y14 D45 V52 A53Y14-L49 HydrophobicContact CD1-CD2 4.22Å; Y14-L49 HydrophobicContact CE1-CD1 3.66Å; Y14-L49 HydrophobicContact CE1-CD2 3.78Å; Y14-L49 HydrophobicContact CE1-CG 3.66Å; Y14-L49 HydrophobicContact CE2-CD1 4.49Å; Y14-L49 WeakPolarHBondContact OH-CD1 3.43Å; D45-L49 VanDerWaalsContact O-CB 3.31Å; D45-L49 WeakPolarHBondContact O-CB 3.29Å; D45-L49 PolarHBondContact O-N 3.49Å; L49-V52 PolarHBondContact O-N 3.02Å; L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.36Å
50T77.3Confident72.1Confident87 Ų8788.2 Ų88.253%0.53451%0.506SS..Hα-helixtrans-69.1-35.6175.649.60000112.8G46 L47 Q48 A53 L54G46-T50 WeakPolarHBondContact O-CG2 3.49Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 2.93Å; L47-T50 WeakPolarHBondContact CA-OG1 3.49Å; L47-T50 PolarHBondContact O-OG1 2.79Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; Q48-T50 PolarHBondContact O-N 3.36Å; T50-A53 PolarHBondContact O-N 3.49Å; T50-L54 VanDerWaalsContact O-CB 3.31Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 PolarHBondContact O-N 2.88Å
51Q78.3Confident74.6Confident113 Ų11390.8 Ų90.853%0.52850%0.504SS..Hα-helixtrans-64.5-41.8171.1-76.6173.233.500112.3L47 Q48 L54 L55L47-Q51 VanDerWaalsContact O-CB 3.28Å; L47-Q51 WeakPolarHBondContact O-CB 3.4Å; L47-Q51 WeakPolarHBondContact O-CG 3.36Å; L47-Q51 PolarHBondContact O-N 3.32Å; Q48-Q51 PolarHBondContact O-N 3.32Å; Q51-L54 PolarHBondContact O-N 2.7Å; Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.26Å; Q51-L55 WeakPolarHBondContact O-CG 3.33Å; Q51-L55 PolarHBondContact O-N 3.06Å
52V84.1Confident76.7Confident88 Ų8887 Ų8753%0.53348%0.483SS..Hα-helixtrans-65.1-41.1176.3168.60000111Q48 L49 L55 A56Q48-V52 WeakPolarHBondContact O-CB 3.35Å; Q48-V52 VanDerWaalsContact O-CG2 3.31Å; Q48-V52 WeakPolarHBondContact O-CG2 3.13Å; Q48-V52 PolarHBondContact O-N 2.82Å; L49-V52 PolarHBondContact O-N 3.02Å; V52-L55 PolarHBondContact O-N 3.12Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 2.97Å
53A84.6Confident78.7Confident36 Ų3687.7 Ų87.730%0.29849%0.488SS..Hα-helixtrans-63-45.6172.700000111.8L49 T50 L55 A56 C57L49-A53 WeakPolarHBondContact O-CB 3.29Å; L49-A53 PolarHBondContact O-N 3.36Å; T50-A53 PolarHBondContact O-N 3.49Å; A53-L55 PolarHBondContact O-N 3.25Å; A53-A56 WeakPolarHBondContact O-CB 3.39Å; A53-A56 PolarHBondContact O-N 3.07Å; A53-A56 VanDerWaalsContact O-N 3.11Å; A53-C57 PolarHBondContact O-N 3.13Å; A53-C57 PolarHBondContact O-SG 2.87Å; A53-C57 VanDerWaalsContact O-SG 3.33Å
54L88.1Confident80.5Confident110 Ų11087.4 Ų87.458%0.57648%0.48SS*.Hα-helixtrans-59.2-44.7175.6-170.379.4000111.6T50 Q51 A56 C57 I58T50-L54 VanDerWaalsContact O-CB 3.31Å; T50-L54 WeakPolarHBondContact O-CB 3.45Å; T50-L54 PolarHBondContact O-N 2.88Å; Q51-L54 PolarHBondContact O-N 2.7Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.18Å; L54-C57 WeakPolarHBondContact O-CB 3.25Å; L54-C57 PolarHBondContact O-N 3.09Å; L54-I58 HydrophobicContact CD2-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.2Å; L54-I58 PolarHBondContact O-N 3.21Å
55L87.9Confident82.2Confident85 Ų8588.2 Ų88.245%0.44548%0.481SS..Hα-helixtrans-64.7-32.7175.5-73.3169.1000112.4Q51 V52 A53 R59Q51-L55 WeakPolarHBondContact O-CB 3.31Å; Q51-L55 VanDerWaalsContact O-CG 3.26Å; Q51-L55 WeakPolarHBondContact O-CG 3.33Å; Q51-L55 PolarHBondContact O-N 3.06Å; V52-L55 PolarHBondContact O-N 3.12Å; A53-L55 PolarHBondContact O-N 3.25Å; L55-R59 WeakPolarHBondContact O-CB 3.48Å; L55-R59 WeakPolarHBondContact O-CD 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.91Å
56A88.1Confident83.6Confident19 Ų1988.4 Ų88.416%0.15748%0.481CS..Hα-helixtrans-67.5-44.7171.500000111.5V52 A53 L54 I58 R59 Q60V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 2.97Å; A53-A56 WeakPolarHBondContact O-CB 3.39Å; A53-A56 PolarHBondContact O-N 3.07Å; A53-A56 VanDerWaalsContact O-N 3.11Å; L54-A56 VanDerWaalsContact C-N 3.3Å; L54-A56 PolarHBondContact O-N 3.18Å; A56-I58 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.2Å; A56-Q60 WeakPolarHBondContact O-CG 3.19Å; A56-Q60 PolarHBondContact O-N 2.94Å
57C89.2Confident84.8Confident63 Ų6391.9 Ų91.943%0.42649%0.485SS..Hα-helixtrans-60.8-43.6174.3-65.40000112A53 L54 R59 Q60 L61A53-C57 PolarHBondContact O-N 3.13Å; A53-C57 PolarHBondContact O-SG 2.87Å; A53-C57 VanDerWaalsContact O-SG 3.33Å; L54-C57 WeakPolarHBondContact O-CB 3.25Å; L54-C57 PolarHBondContact O-N 3.09Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.2Å; C57-Q60 PolarHBondContact O-N 3.3Å; C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.34Å; C57-L61 PolarHBondContact O-N 3Å
58I92Very high86.1Confident96 Ų9690 Ų9049%0.49248%0.481SS..Hα-helixtrans-61.4-40.7175.6-69163.5000111.1L54 A56 L61 G62L54-I58 HydrophobicContact CD2-CD1 4.37Å; L54-I58 HydrophobicContact CG-CD1 4.06Å; L54-I58 VanDerWaalsContact O-CG1 3.29Å; L54-I58 WeakPolarHBondContact O-CG1 3.2Å; L54-I58 PolarHBondContact O-N 3.21Å; A56-I58 PolarHBondContact O-N 3.31Å; I58-L61 PolarHBondContact O-N 2.89Å; I58-G62 PolarHBondContact O-N 3.49Å
59R90.9Very high87Confident185 Ų18588.4 Ų88.470%0.69847%0.474SS*.Hα-helixtrans-66.5-37.9174.5-73.4165.8179.5162.20.5112.6L55 A56 C57 G62 S63L55-R59 WeakPolarHBondContact O-CB 3.48Å; L55-R59 WeakPolarHBondContact O-CD 3.49Å; L55-R59 WeakPolarHBondContact O-CG 3.27Å; L55-R59 PolarHBondContact O-N 2.91Å; A56-R59 PolarHBondContact O-N 3.2Å; C57-R59 VanDerWaalsContact C-N 3.33Å; C57-R59 PolarHBondContact O-N 3.2Å; R59-G62 PolarHBondContact O-N 2.83Å; R59-S63 PolarHBondContact O-N 3.42Å
60Q90.1Very high87.9Confident120 Ų12087.3 Ų87.356%0.56147%0.468SS*.Hα-helixtrans-66.6-43.6174.8-74.1174.7-6.600111.5A56 C57 G62 S63 L64A56-Q60 WeakPolarHBondContact O-CG 3.19Å; A56-Q60 PolarHBondContact O-N 2.94Å; C57-Q60 PolarHBondContact O-N 3.3Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 3.3Å; Q60-S63 PolarHBondContact O-N 3.05Å; Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 2.83Å
61L91.3Very high88.3Confident113 Ų11388.8 Ų88.859%0.59247%0.47SS*.Hα-helixtrans-61.6-39.7173.9-71.9169.2000112C57 I58 L64 H65C57-L61 WeakPolarHBondContact O-CB 3.48Å; C57-L61 WeakPolarHBondContact O-CG 3.34Å; C57-L61 PolarHBondContact O-N 3Å; I58-L61 PolarHBondContact O-N 2.89Å; L61-L64 PolarHBondContact O-N 2.63Å; L61-H65 WeakPolarHBondContact O-CB 3.29Å; L61-H65 PolarHBondContact O-N 3.48Å
62G92.8Very high88.9Confident32 Ų3286.3 Ų86.333%0.3346%0.463SS..Hα-helixtrans-60.8-47.5171.100000112.6I58 R59 Q60 L64 H65 D66I58-G62 PolarHBondContact O-N 3.49Å; R59-G62 PolarHBondContact O-N 2.83Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 3.3Å; G62-L64 VanDerWaalsContact C-N 3.29Å; G62-L64 PolarHBondContact O-N 2.92Å; G62-H65 WeakPolarHBondContact O-CB 3.46Å; G62-H65 PolarHBondContact O-N 2.76Å; G62-D66 PolarHBondContact O-N 2.79Å
63S89.1Confident89.2Confident60 Ų6089.8 Ų89.842%0.4247%0.466SS..Hα-helixtrans-64.8-30.8175.9-175.20000113.3R59 Q60 Q67R59-S63 PolarHBondContact O-N 3.42Å; Q60-S63 PolarHBondContact O-N 3.05Å; S63-Q67 WeakPolarHBondContact O-CB 3.24Å; S63-Q67 VanDerWaalsContact O-CG 3.23Å; S63-Q67 WeakPolarHBondContact O-CG 3.45Å; S63-Q67 PolarHBondContact O-N 2.95Å; S63-Q67 VanDerWaalsContact O-N 3.11Å; S63-Q67 PolarHBondContact OG-NE2 2.84Å
64L89.8Confident89.2Confident105 Ų10590.7 Ų90.755%0.5547%0.47SS..Hα-helixtrans-72.9-41.5176.2-179.762.8000111Q60 L61 G62 Q67 S68Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 2.63Å; G62-L64 VanDerWaalsContact C-N 3.29Å; G62-L64 PolarHBondContact O-N 2.92Å; L64-Q67 PolarHBondContact O-N 2.81Å; L64-S68 WeakPolarHBondContact O-CB 3.45Å; L64-S68 PolarHBondContact O-N 3.4Å; L64-S68 PolarHBondContact O-OG 3.47Å
65H92.4Very high89.3Confident101 Ų10190 Ų9047%0.46847%0.466SS..Hα-helixtrans-58.1-46.7171.2169.5-85.3000111.5L61 G62 Q67 S68 M69L61-H65 WeakPolarHBondContact O-CB 3.29Å; L61-H65 PolarHBondContact O-N 3.48Å; G62-H65 WeakPolarHBondContact O-CB 3.46Å; G62-H65 PolarHBondContact O-N 2.76Å; H65-Q67 VanDerWaalsContact C-N 3.34Å; H65-Q67 PolarHBondContact O-N 3.27Å; H65-S68 PolarHBondContact O-N 3.42Å; H65-S68 PolarHBondContact O-OG 3.1Å; H65-M69 WeakPolarHBondContact O-CB 3.39Å; H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 2.62Å
66D86.7Confident89.4Confident106 Ų10693.5 Ų93.557%0.56748%0.475SS*.Hα-helixtrans-68.8-34.3-178.6-67-10.6000112.1G62 L70G62-D66 PolarHBondContact O-N 2.79Å; D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 3.26Å
67Q87.1Confident89.4Confident119 Ų11997.4 Ų97.456%0.55649%0.493SS*.Hα-helixtrans-67.3-43171.3-75172.922.700112.2S63 L64 H65 L70 M71S63-Q67 WeakPolarHBondContact O-CB 3.24Å; S63-Q67 VanDerWaalsContact O-CG 3.23Å; S63-Q67 WeakPolarHBondContact O-CG 3.45Å; S63-Q67 PolarHBondContact O-N 2.95Å; S63-Q67 VanDerWaalsContact O-N 3.11Å; S63-Q67 PolarHBondContact OG-NE2 2.84Å; L64-Q67 PolarHBondContact O-N 2.81Å; H65-Q67 VanDerWaalsContact C-N 3.34Å; H65-Q67 PolarHBondContact O-N 3.27Å; Q67-L70 PolarHBondContact O-N 3.48Å; Q67-M71 WeakPolarHBondContact O-CG 3.33Å; Q67-M71 PolarHBondContact O-N 3.23Å
68S90.7Very high89.5Confident56 Ų56100.8 Ų100.839%0.39250%0.502SS..Hα-helixtrans-66.6-39.817872.80000111.4L64 H65 L70 M71 V72L64-S68 WeakPolarHBondContact O-CB 3.45Å; L64-S68 PolarHBondContact O-N 3.4Å; L64-S68 PolarHBondContact O-OG 3.47Å; H65-S68 PolarHBondContact O-N 3.42Å; H65-S68 PolarHBondContact O-OG 3.1Å; S68-L70 VanDerWaalsContact C-N 3.33Å; S68-L70 PolarHBondContact O-N 2.87Å; S68-M71 PolarHBondContact O-N 3.3Å; S68-V72 VanDerWaalsContact O-CB 3.3Å; S68-V72 WeakPolarHBondContact O-CB 3.33Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 2.85Å
69M89.5Confident89.5Confident74 Ų74101.3 Ų101.337%0.36551%0.506SS..Hα-helixtrans-64.3-33.6173.7-75.5-60.2-58.200113.1H65 R73H65-M69 WeakPolarHBondContact O-CB 3.39Å; H65-M69 WeakPolarHBondContact O-CG 3.48Å; H65-M69 PolarHBondContact O-N 2.62Å; M69-R73 WeakPolarHBondContact O-CB 3.3Å; M69-R73 VanDerWaalsContact O-CG 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.3Å; M69-R73 PolarHBondContact O-N 3.36Å
70L85.6Confident89.6Confident65 Ų6597.2 Ų97.234%0.3449%0.494SS..Hα-helixtrans-69.7-46.7173.3-171.7149.4000111.3D66 Q67 S68 V72 R73 C74D66-L70 WeakPolarHBondContact O-CB 3.43Å; D66-L70 PolarHBondContact O-N 3.26Å; Q67-L70 PolarHBondContact O-N 3.48Å; S68-L70 VanDerWaalsContact C-N 3.33Å; S68-L70 PolarHBondContact O-N 2.87Å; L70-V72 PolarHBondContact O-N 2.85Å; L70-R73 PolarHBondContact O-N 3.46Å; L70-C74 PolarHBondContact O-N 3.22Å; L70-C74 PolarHBondContact O-SG 2.86Å; L70-C74 VanDerWaalsContact O-SG 3.37Å
71M86.2Confident89.5Confident119 Ų11994.6 Ų94.659%0.58648%0.482SS*.Hα-helixtrans-59.3-44.7175.1-72.8-62.9-58.300112.2Q67 S68 C74 L75Q67-M71 WeakPolarHBondContact O-CG 3.33Å; Q67-M71 PolarHBondContact O-N 3.23Å; S68-M71 PolarHBondContact O-N 3.3Å; M71-C74 PolarHBondContact O-N 3.38Å; M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.96Å; M71-L75 VanDerWaalsContact O-N 3.12Å
72V91.3Very high89.6Confident61 Ų6193.1 Ų93.137%0.3748%0.477SS..Hα-helixtrans-64-39.2177.91660000111.3S68 L70 L75 Y76S68-V72 VanDerWaalsContact O-CB 3.3Å; S68-V72 WeakPolarHBondContact O-CB 3.33Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.47Å; S68-V72 PolarHBondContact O-N 2.85Å; L70-V72 PolarHBondContact O-N 2.85Å; V72-L75 PolarHBondContact O-N 3.33Å; V72-Y76 HydrophobicContact CG1-CD2 3.63Å; V72-Y76 HydrophobicContact CG1-CE2 3.53Å; V72-Y76 VanDerWaalsContact O-CD2 3.23Å; V72-Y76 WeakPolarHBondContact O-CD2 3.32Å; V72-Y76 PolarHBondContact O-N 2.88Å
73R89.5Confident89.6Confident160 Ų16096.3 Ų96.360%0.60449%0.487SS*.Hα-helixtrans-61.9-50.4173.6-79.8172.3-179.8172.61.8112.2M69 L70 L75 Y76 D77M69-R73 WeakPolarHBondContact O-CB 3.3Å; M69-R73 VanDerWaalsContact O-CG 3.26Å; M69-R73 WeakPolarHBondContact O-CG 3.3Å; M69-R73 PolarHBondContact O-N 3.36Å; L70-R73 PolarHBondContact O-N 3.46Å; R73-L75 PolarHBondContact O-N 3.25Å; R73-Y76 CarbonylContact O-C 3.58Å; R73-Y76 WeakPolarHBondContact O-CA 3.47Å; R73-Y76 PolarHBondContact O-N 2.83Å; R73-D77 PolarHBondContact O-N 2.77Å
74C84.8Confident89.8Confident55 Ų5599.3 Ų99.337%0.37249%0.489SS..Hα-helixtrans-57.2-38.3178.3-62.70000112.4L70 M71 D77 E78L70-C74 PolarHBondContact O-N 3.22Å; L70-C74 PolarHBondContact O-SG 2.86Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; M71-C74 PolarHBondContact O-N 3.38Å; C74-D77 PolarHBondContact O-N 2.81Å; C74-E78 WeakPolarHBondContact O-CG 3.31Å; C74-E78 PolarHBondContact O-N 3.43Å
75L89.3Confident89.8Confident96 Ų96101.7 Ų101.750%0.50349%0.491SS..Hα-helixtrans-67.2-38.8173.8-69.5170.7000112.8M71 V72 R73 L79M71-L75 WeakPolarHBondContact O-CG 3.3Å; M71-L75 PolarHBondContact O-N 2.96Å; M71-L75 VanDerWaalsContact O-N 3.12Å; V72-L75 PolarHBondContact O-N 3.33Å; R73-L75 PolarHBondContact O-N 3.25Å; L75-L79 WeakPolarHBondContact O-CB 2.9Å; L75-L79 WeakPolarHBondContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 3.4Å
76Y91.9Very high89.9Confident159 Ų15999.6 Ų99.662%0.62449%0.485SS*.Hα-helixtrans-66.5-39.7173.1-86.6-64.5000112.6V72 R73 L79 E80V72-Y76 HydrophobicContact CG1-CD2 3.63Å; V72-Y76 HydrophobicContact CG1-CE2 3.53Å; V72-Y76 VanDerWaalsContact O-CD2 3.23Å; V72-Y76 WeakPolarHBondContact O-CD2 3.32Å; V72-Y76 PolarHBondContact O-N 2.88Å; R73-Y76 CarbonylContact O-C 3.58Å; R73-Y76 WeakPolarHBondContact O-CA 3.47Å; R73-Y76 PolarHBondContact O-N 2.83Å; Y76-L79 PolarHBondContact O-N 3.23Å; Y76-E80 WeakPolarHBondContact O-CB 3.38Å; Y76-E80 PolarHBondContact O-N 3.32Å
77D88.2Confident90.2Very high100 Ų10099 Ų9954%0.53548%0.482SS..Hα-helixtrans-64.4-41.9178.2-60.2-34.7000111R73 C74 E81R73-D77 PolarHBondContact O-N 2.77Å; C74-D77 PolarHBondContact O-N 2.81Å; D77-E81 PolarHBondContact O-N 2.98Å
78E90.3Very high90.4Very high134 Ų134100.4 Ų100.463%0.62649%0.486SS*.Hα-helixtrans-65-42.5172.6-75.4-176.2-177.400112.3C74 E81 V82C74-E78 WeakPolarHBondContact O-CG 3.31Å; C74-E78 PolarHBondContact O-N 3.43Å; E78-E81 PolarHBondContact O-N 3.48Å; E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.82Å
79L92.2Very high90.5Very high108 Ų108102.9 Ų102.957%0.56550%0.495SS*.Hα-helixtrans-66.6-40.4177.8-76168.9000112.4L75 Y76 V82 D83L75-L79 WeakPolarHBondContact O-CB 2.9Å; L75-L79 WeakPolarHBondContact O-CD1 3.29Å; L75-L79 WeakPolarHBondContact O-CG 3.17Å; L75-L79 PolarHBondContact O-N 3.4Å; Y76-L79 PolarHBondContact O-N 3.23Å; L79-V82 PolarHBondContact O-N 3.19Å; L79-D83 WeakPolarHBondContact O-CB 3.34Å; L79-D83 PolarHBondContact O-N 3.39Å
80E92.3Very high90.7Very high98 Ų98101.6 Ų101.646%0.45849%0.491SS..Hα-helixtrans-65.5-40177.5-156.1-153.6147.300111.1Y76 V82 D83 R84Y76-E80 WeakPolarHBondContact O-CB 3.38Å; Y76-E80 PolarHBondContact O-N 3.32Å; E80-V82 VanDerWaalsContact C-N 3.33Å; E80-V82 PolarHBondContact O-N 2.94Å; E80-D83 PolarHBondContact O-N 2.89Å; E80-R84 WeakPolarHBondContact O-CB 3.49Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.83Å; E80-R84 IonicContact OE1-CZ 2.66Å; E80-R84 IonicContact OE1-NE 3.66Å; E80-R84 PolarHBondContact OE1-NE 3.22Å; E80-R84 IonicContact OE1-NH2 2.75Å; E80-R84 PolarHBondContact OE1-NH2 2.87Å; E80-R84 IonicContact OE2-CZ 3.02Å; E80-R84 IonicContact OE2-NH2 3.75Å; E80-R84 PolarHBondContact OE2-NH2 3.26Å
81E89.6Confident91Very high66 Ų66102.8 Ų102.831%0.30850%0.497SS..Hα-helixtrans-67.8-31.6175-179.656.8-162.300112.6D77 E78 R84 R85D77-E81 PolarHBondContact O-N 2.98Å; E78-E81 PolarHBondContact O-N 3.48Å; E81-R84 IonicContact OE2-NH1 3.83Å; E81-R84 PolarHBondContact OE2-NH1 3.39Å; E81-R84 VanDerWaalsContact OE2-NH1 3.16Å; E81-R85 VanDerWaalsContact O-CD 3.26Å; E81-R85 WeakPolarHBondContact O-CD 3.42Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 2.62Å; E81-R85 IonicContact OE1-NE 3.87Å; E81-R85 PolarHBondContact OE1-NE 2.99Å; E81-R85 IonicContact OE1-NH2 3.23Å; E81-R85 PolarHBondContact OE1-NH2 3.48Å
82V91.9Very high91.2Very high81 Ų81105.3 Ų105.349%0.49150%0.501SS..Hα-helixtrans-67.6-44168.5169.60000111.3E78 L79 E80 R85 V86E78-V82 WeakPolarHBondContact O-CG2 3.26Å; E78-V82 PolarHBondContact O-N 2.82Å; L79-V82 PolarHBondContact O-N 3.19Å; E80-V82 VanDerWaalsContact C-N 3.33Å; E80-V82 PolarHBondContact O-N 2.94Å; V82-R85 CarbonylContact O-C 3.59Å; V82-R85 WeakPolarHBondContact O-CB 3.34Å; V82-R85 PolarHBondContact O-N 3.38Å; V82-R85 VanDerWaalsContact O-N 3.12Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.34Å
83D93.7Very high91.1Very high99 Ų99105.9 Ų105.953%0.52950%0.5SS..Hα-helixtrans-64.4-47.3-177.7-158.742.5000111.4L79 E80 R85 V86 D87L79-D83 WeakPolarHBondContact O-CB 3.34Å; L79-D83 PolarHBondContact O-N 3.39Å; E80-D83 PolarHBondContact O-N 2.89Å; D83-R85 PolarHBondContact O-N 3.01Å; D83-V86 CarbonylContact O-C 3.56Å; D83-V86 WeakPolarHBondContact O-CA 3.27Å; D83-V86 WeakPolarHBondContact O-CB 3.44Å; D83-V86 PolarHBondContact O-N 2.88Å; D83-D87 PolarHBondContact O-N 2.77Å
84R92.2Very high91.2Very high123 Ų123103.2 Ų103.246%0.46449%0.494SS..Hα-helixtrans-53.5-37.1171-67.8168.6-168.7161.8-1.2112.6E80 E81 K88E80-R84 WeakPolarHBondContact O-CB 3.49Å; E80-R84 WeakPolarHBondContact O-CG 3.34Å; E80-R84 PolarHBondContact O-N 2.83Å; E80-R84 IonicContact OE1-CZ 2.66Å; E80-R84 IonicContact OE1-NE 3.66Å; E80-R84 PolarHBondContact OE1-NE 3.22Å; E80-R84 IonicContact OE1-NH2 2.75Å; E80-R84 PolarHBondContact OE1-NH2 2.87Å; E80-R84 IonicContact OE2-CZ 3.02Å; E80-R84 IonicContact OE2-NH2 3.75Å; E80-R84 PolarHBondContact OE2-NH2 3.26Å; E81-R84 IonicContact OE2-NH1 3.83Å; E81-R84 PolarHBondContact OE2-NH1 3.39Å; E81-R84 VanDerWaalsContact OE2-NH1 3.16Å; R84-K88 VanDerWaalsContact O-CB 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 3.34Å
85R91.6Very high91.4Very high155 Ų155103.9 Ų103.959%0.58550%0.497SS*.Hα-helixtrans-73.5-39176.3-71.7167.7-171.4-167.85.6112E81 V82 D83 K88 L89E81-R85 VanDerWaalsContact O-CD 3.26Å; E81-R85 WeakPolarHBondContact O-CD 3.42Å; E81-R85 WeakPolarHBondContact O-CG 3.49Å; E81-R85 PolarHBondContact O-N 3.43Å; E81-R85 IonicContact OE1-CZ 2.62Å; E81-R85 IonicContact OE1-NE 3.87Å; E81-R85 PolarHBondContact OE1-NE 2.99Å; E81-R85 IonicContact OE1-NH2 3.23Å; E81-R85 PolarHBondContact OE1-NH2 3.48Å; V82-R85 CarbonylContact O-C 3.59Å; V82-R85 WeakPolarHBondContact O-CB 3.34Å; V82-R85 PolarHBondContact O-N 3.38Å; V82-R85 VanDerWaalsContact O-N 3.12Å; D83-R85 PolarHBondContact O-N 3.01Å; R85-K88 PolarHBondContact O-N 3.1Å; R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.15Å; R85-L89 PolarHBondContact O-N 2.95Å
86V93.3Very high91.4Very high58 Ų58104 Ų10435%0.35250%0.502SS..Hα-helixtrans-64.7-42.5175.1169.20000110.8V82 D83 L89 T90V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CG2 3.31Å; V82-V86 PolarHBondContact O-N 3.34Å; D83-V86 CarbonylContact O-C 3.56Å; D83-V86 WeakPolarHBondContact O-CA 3.27Å; D83-V86 WeakPolarHBondContact O-CB 3.44Å; D83-V86 PolarHBondContact O-N 2.88Å; V86-L89 PolarHBondContact O-N 3.2Å; V86-T90 VanDerWaalsContact O-CB 3.22Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 3.47Å; V86-T90 PolarHBondContact O-OG1 3.45Å
87D93Very high91.3Very high92 Ų92103.6 Ų103.649%0.49250%0.499SS..Hα-helixtrans-63.5-48173.9-101.4-0.6000111.8D83 L89 T90 N91D83-D87 PolarHBondContact O-N 2.77Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.49Å; D87-T90 PolarHBondContact O-N 2.93Å; D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 3.36Å; D87-N91 PolarHBondContact O-ND2 2.87Å
88K92.5Very high91.2Very high149 Ų149104.9 Ų104.965%0.64850%0.5SS*.Hα-helixtrans-61.6-34.8177-170.2170.5-174.9172.20112.2R84 R85 R92R84-K88 VanDerWaalsContact O-CB 3.27Å; R84-K88 WeakPolarHBondContact O-CB 3.48Å; R84-K88 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.1Å; K88-R92 WeakPolarHBondContact O-CD 3.49Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 3.35Å
89L91.5Very high91Very high109 Ų109103.6 Ų103.657%0.57149%0.494SS*.Hα-helixtrans-73-43.4173.9-178.760.2000111.9R85 V86 D87 R92 M93R85-L89 VanDerWaalsContact O-CB 3.26Å; R85-L89 WeakPolarHBondContact O-CB 3.15Å; R85-L89 PolarHBondContact O-N 2.95Å; V86-L89 PolarHBondContact O-N 3.2Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-N 3.31Å; L89-M93 WeakPolarHBondContact O-CB 2.96Å; L89-M93 PolarHBondContact O-N 3.19Å
90T93.3Very high90.4Very high47 Ų47101.1 Ų101.129%0.28849%0.489SS..Hα-helixtrans-64.4-45.8-178.9-62.90000111.1V86 D87 R92 M93 Q94V86-T90 VanDerWaalsContact O-CB 3.22Å; V86-T90 WeakPolarHBondContact O-CB 3.35Å; V86-T90 PolarHBondContact O-N 3.47Å; V86-T90 PolarHBondContact O-OG1 3.45Å; D87-T90 PolarHBondContact O-N 2.93Å; T90-R92 PolarHBondContact O-N 3.45Å; T90-M93 PolarHBondContact O-N 3.24Å; T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.29Å
91N92.3Very high89.9Confident89 Ų89102.8 Ų102.848%0.47650%0.5SS..Hα-helixtrans-60.4-44.4174.7-74.5-50.8000111.7D87 M93 Q94 T95D87-N91 WeakPolarHBondContact O-CB 3.49Å; D87-N91 PolarHBondContact O-N 3.36Å; D87-N91 PolarHBondContact O-ND2 2.87Å; N91-M93 VanDerWaalsContact C-N 3.35Å; N91-M93 PolarHBondContact O-N 3.32Å; N91-Q94 PolarHBondContact O-N 3.45Å; N91-T95 PolarHBondContact O-N 3.37Å; N91-T95 PolarHBondContact O-OG1 3.43Å
92R91Very high89.5Confident173 Ų173105.8 Ų105.865%0.65352%0.515SS*.Hα-helixtrans-61.1-41.7173.4-73.5172.970.6-161.72.7112.2K88 L89 T90 T95 V96K88-R92 WeakPolarHBondContact O-CD 3.49Å; K88-R92 WeakPolarHBondContact O-CG 3.44Å; K88-R92 PolarHBondContact O-N 3.35Å; L89-R92 PolarHBondContact O-N 3.31Å; T90-R92 PolarHBondContact O-N 3.45Å; R92-T95 PolarHBondContact O-N 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.46Å; R92-V96 PolarHBondContact O-N 2.86Å
93M89.9Confident88.7Confident72 Ų72107.8 Ų107.836%0.35552%0.522SS..Hα-helixtrans-66.4-36.2178.5-174174.46800112.2L89 T90 N91 R97L89-M93 WeakPolarHBondContact O-CB 2.96Å; L89-M93 PolarHBondContact O-N 3.19Å; T90-M93 PolarHBondContact O-N 3.24Å; N91-M93 VanDerWaalsContact C-N 3.35Å; N91-M93 PolarHBondContact O-N 3.32Å; M93-R97 WeakPolarHBondContact O-CB 3.49Å; M93-R97 PolarHBondContact O-N 3.06Å
94Q90.8Very high87.5Confident104 Ų104108.7 Ų108.749%0.48653%0.533SS..Hα-helixtrans-64.9-45172.4-71-177.131.100111.7T90 N91 R97 K98T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.29Å; N91-Q94 PolarHBondContact O-N 3.45Å; Q94-R97 PolarHBondContact O-N 3Å; Q94-K98 PolarHBondContact O-N 3.26Å
95T89.4Confident86.2Confident70 Ų70110.3 Ų110.343%0.42955%0.55SS.*Hα-helixtrans-62.5-43.6175.5-59.70000111.9N91 R92 R97 K98 H99N91-T95 PolarHBondContact O-N 3.37Å; N91-T95 PolarHBondContact O-OG1 3.43Å; R92-T95 PolarHBondContact O-N 3.46Å; T95-R97 VanDerWaalsContact C-N 3.32Å; T95-R97 PolarHBondContact O-N 3.21Å; T95-K98 PolarHBondContact O-N 2.86Å; T95-H99 WeakPolarHBondContact CG2-NE2 3.37Å; T95-H99 PolarHBondContact O-CD2 2.89Å; T95-H99 PolarHBondContact O-N 3.21Å
96V88.6Confident84.8Confident99 Ų99108.4 Ų108.460%0.656%0.558SS**Hα-helixtrans-61.4-39.1173.6169.80000111.4R92 A100R92-V96 WeakPolarHBondContact O-CG2 3.46Å; R92-V96 PolarHBondContact O-N 2.86Å; V96-A100 WeakPolarHBondContact O-CB 3.18Å; V96-A100 PolarHBondContact O-N 2.85Å
97R89.4Confident82.7Confident149 Ų149111.9 Ų111.956%0.56258%0.575SS**Hα-helixtrans-66.9-35.3175.6-177.8174.6-72.5166.21.2112.8M93 Q94 T95 N101M93-R97 WeakPolarHBondContact O-CB 3.49Å; M93-R97 PolarHBondContact O-N 3.06Å; Q94-R97 PolarHBondContact O-N 3Å; T95-R97 VanDerWaalsContact C-N 3.32Å; T95-R97 PolarHBondContact O-N 3.21Å; R97-N101 PolarHBondContact O-N 3.25Å; R97-N101 PolarHBondContact O-OD1 3Å
98K87.3Confident80.8Confident127 Ų127111.7 Ų111.755%0.55259%0.586SS**Hα-helixtrans-62.5-57172.8-72178.1-179.9-179.60110.5Q94 T95 A100 N101 E102Q94-K98 PolarHBondContact O-N 3.26Å; T95-K98 PolarHBondContact O-N 2.86Å; K98-A100 VanDerWaalsContact C-N 3.28Å; K98-A100 PolarHBondContact O-N 3.49Å; K98-N101 WeakPolarHBondContact O-CA 3.21Å; K98-N101 WeakPolarHBondContact O-CB 3.33Å; K98-N101 PolarHBondContact O-N 3.24Å; K98-E102 WeakPolarHBondContact O-CG 3.36Å; K98-E102 PolarHBondContact O-N 3.34Å
99H84.7Confident78.4Confident108 Ų108112.2 Ų112.250%0.559%0.591SS.*Hα-helixtrans-61.2-34.3179.3-61.9-37.9000113.3T95 N101 E102 L103T95-H99 WeakPolarHBondContact CG2-NE2 3.37Å; T95-H99 PolarHBondContact O-CD2 2.89Å; T95-H99 PolarHBondContact O-N 3.21Å; H99-N101 VanDerWaalsContact C-N 3.27Å; H99-N101 PolarHBondContact O-N 2.93Å; H99-E102 WeakPolarHBondContact CA-OE2 3.45Å; H99-E102 IonicContact CE1-OE2 3.84Å; H99-E102 IonicContact CG-OE2 2.65Å; H99-E102 IonicContact ND1-OE2 3.81Å; H99-E102 PolarHBondContact ND1-OE2 3.39Å; H99-E102 PolarHBondContact O-N 3.49Å; H99-L103 WeakPolarHBondContact O-CG 3.39Å; H99-L103 PolarHBondContact O-N 3.08Å
100A80.4Confident76.3Confident56 Ų56109.8 Ų109.846%0.46359%0.586SS.*Hα-helixtrans-67.3-24.6174.400000113.9V96 K98V96-A100 WeakPolarHBondContact O-CB 3.18Å; V96-A100 PolarHBondContact O-N 2.85Å; K98-A100 VanDerWaalsContact C-N 3.28Å; K98-A100 PolarHBondContact O-N 3.49Å
101N80.7Confident74.1Confident132 Ų132113.2 Ų113.271%0.70661%0.607SS**Hα-helixtrans-87.8-21.7172.6-66.6-7.4000112.5R97 K98 H99R97-N101 PolarHBondContact O-N 3.25Å; R97-N101 PolarHBondContact O-OD1 3Å; K98-N101 WeakPolarHBondContact O-CA 3.21Å; K98-N101 WeakPolarHBondContact O-CB 3.33Å; K98-N101 PolarHBondContact O-N 3.24Å; H99-N101 VanDerWaalsContact C-N 3.27Å; H99-N101 PolarHBondContact O-N 2.93Å
102E81.4Confident71.8Confident129 Ų129118.6 Ų118.660%0.60362%0.62SS**Hα-helixtrans-82.8-18.2176.1-68.8156.4-168.200112.5K98 H99K98-E102 WeakPolarHBondContact O-CG 3.36Å; K98-E102 PolarHBondContact O-N 3.34Å; H99-E102 WeakPolarHBondContact CA-OE2 3.45Å; H99-E102 IonicContact CE1-OE2 3.84Å; H99-E102 IonicContact CG-OE2 2.65Å; H99-E102 IonicContact ND1-OE2 3.81Å; H99-E102 PolarHBondContact ND1-OE2 3.39Å; H99-E102 PolarHBondContact O-N 3.49Å
103L75Confident69.4Low123 Ų123116.1 Ų116.164%0.64463%0.626SS**SBendtrans-64.9123.9172.7-78.5171.9000110.5H99 L105H99-L103 WeakPolarHBondContact O-CG 3.39Å; H99-L103 PolarHBondContact O-N 3.08Å; L103-L105 PolarHBondContact O-N 3.04Å
104P69.5Low67.2Low119 Ų119123.8 Ų123.877%0.77365%0.653SS**PPolyproline II helixtrans-64.6124.217426.8-33.1000109.7
105L63.6Low64.7Low156 Ų156121.4 Ų121.482%0.81766%0.657SS**PPolyproline II helixtrans-62.5135.3166.4-68.8170.7000108.3L103 D107L103-L105 PolarHBondContact O-N 3.04Å; L105-D107 PolarHBondContact O-N 3.46Å
106P62.5Low62.2Low115 Ų115128 Ų12875%0.74768%0.682SS**PPolyproline II helixtrans-64.7126.6176.126.8-33.3000109.6A108P106-A108 PolarHBondContact O-N 2.81Å
107D50.6Low60Low132 Ų132131 Ų13171%0.70669%0.694SS**PPolyproline II helixtrans-54.1123-179.6-71.8-54.7000111L105 E109 A110L105-D107 PolarHBondContact O-N 3.46Å; D107-E109 PolarHBondContact O-N 2.82Å; D107-E109 VanDerWaalsContact O-N 3.09Å; D107-A110 VanDerWaalsContact O-CB 3.29Å; D107-A110 WeakPolarHBondContact O-CB 3.2Å; D107-A110 PolarHBondContact O-N 2.93Å
108A51.4Low57.5Low87 Ų87130.1 Ų130.172%0.71970%0.697SS**G310 helixtrans-60-26.3-176.400000112.7P106 A110 V111P106-A108 PolarHBondContact O-N 2.81Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å; A108-V111 PolarHBondContact O-N 3.27Å
109E42.9Very low55.2Low161 Ų161133 Ų13375%0.75271%0.714SS**G310 helixtrans-75.5-16.2177-56.8-160.6164.400113.9D107 V111D107-E109 PolarHBondContact O-N 2.82Å; D107-E109 VanDerWaalsContact O-N 3.09Å; E109-V111 PolarHBondContact O-N 3.45Å
110A48Very low52.9Low58 Ų58134.7 Ų134.748%0.47973%0.727SS.*G310 helixtrans-72.2-12.6172.300000112.6D107 A108 R112D107-A110 VanDerWaalsContact O-CB 3.29Å; D107-A110 WeakPolarHBondContact O-CB 3.2Å; D107-A110 PolarHBondContact O-N 2.93Å; A108-A110 VanDerWaalsContact C-N 3.31Å; A108-A110 PolarHBondContact O-N 3.38Å; A110-R112 PolarHBondContact O-N 3.17Å
111V46.8Very low50.7Low118 Ų118138.2 Ų138.272%0.71574%0.737SS**  trans-10154.5179.4-1640000110.3A108 E109A108-V111 PolarHBondContact O-N 3.27Å; E109-V111 PolarHBondContact O-N 3.45Å
112R43.1Very low48.4Very low202 Ų202141.9 Ų141.976%0.76274%0.741SS**PPolyproline II helixtrans-72.8136.5166.9-71.2-169.3-177.5-162.30.9109.7A110 Y114A110-R112 PolarHBondContact O-N 3.17Å; R112-Y114 PolarHBondContact O-N 2.87Å
113P42.2Very low46.4Very low121 Ų121142.9 Ų142.979%0.78675%0.749SS**PPolyproline II helixtrans-76.8118.3-17429.9-33.9000111.5
114Y43.2Very low44.3Very low234 Ų234140.9 Ų140.992%0.91875%0.751SS**PPolyproline II helixtrans-72.7135.1145.5-79-89.2000107.6R112R112-Y114 PolarHBondContact O-N 2.87Å
115G38.8Very low42.6Very low54 Ų54142.5 Ų142.556%0.55775%0.753SS**PPolyproline II helixtrans-72.6151.2-155.800000116L117G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.35Å
116E36.9Very low41.1Very low207 Ų207139.6 Ų139.697%0.96775%0.751SS**  trans36.346.5146.5-58-170.9133.300118
117L40.9Very low39.7Very low162 Ų162139 Ų13985%0.84875%0.747SS**  trans-110.7128.3165.2-89.1163.6000110.8G115 M119G115-L117 VanDerWaalsContact C-N 3.31Å; G115-L117 PolarHBondContact O-N 3.35Å; L117-M119 PolarHBondContact O-N 2.85Å
118E37.4Very low38.8Very low132 Ų132141.2 Ų141.262%0.61775%0.751SS**  trans-58.995.9-159.3-57.9-175.6122.100115.3N120 L121E118-N120 PolarHBondContact O-N 3.43Å; E118-L121 HydrophobicContact CB-CB 4.38Å; E118-L121 PolarHBondContact O-N 2.95Å; E118-L121 VanDerWaalsContact O-N 3.07Å
119M38.3Very low37.9Very low187 Ų187145.2 Ų145.292%0.92175%0.749SS**THydrogen-bonded Turntrans-63.77.6168.1-114.9-176.3-176.300114.7L117L117-M119 PolarHBondContact O-N 2.85Å
120N37.5Very low37.4Very low143 Ų143145.7 Ų145.777%0.76575%0.745SS**THydrogen-bonded Turntrans-96.3-15172.9-66.7-43.7000113.3E118 W122E118-N120 PolarHBondContact O-N 3.43Å; N120-W122 VanDerWaalsContact C-N 3.28Å; N120-W122 PolarHBondContact O-N 2.87Å
121L33.6Very low36.7Very low131 Ų131153.4 Ų153.469%0.68677%0.768SS**THydrogen-bonded Turntrans-88.820.7-172.3-153.569.9000114.2E118E118-L121 HydrophobicContact CB-CB 4.38Å; E118-L121 PolarHBondContact O-N 2.95Å; E118-L121 VanDerWaalsContact O-N 3.07Å
122W33.7Very low36.2Very low208 Ų208151.5 Ų151.579%0.78877%0.765SS**THydrogen-bonded Turntrans-117.418.8-172.9-90.868.5000114.6N120N120-W122 VanDerWaalsContact C-N 3.28Å; N120-W122 PolarHBondContact O-N 2.87Å
123I37.7Very low35.6Very low150 Ų150149 Ų14977%0.76977%0.766SS**SBendtrans-114.6-5.6-176.3-64.8176.9000112.7
124A32.6Very low35.1Very low81 Ų81152.7 Ų152.767%0.66976%0.764SS**SBendtrans-112.1-38.2-162.200000117
125N33.1Very low34.8Very low154 Ų154146.8 Ų146.882%0.82475%0.752SS**SBendtrans-146.4136.3-168.2-80.9-52.1000114
126A31.4Very low34.5Very low95 Ų95149.9 Ų149.979%0.78577%0.766SS**  trans62143.616400000118.8
127P34.5Very low34.6Very low101 Ų101148.7 Ų148.766%0.65676%0.76SS**  trans-80.6-179.6167.735.5-34.8000111.6
128F31.3Very low34.6Very low180 Ų180144.3 Ų144.379%0.78974%0.743SS**  trans93.8123.1173.7-67.3-78000118.2
129Y31.2Very low34.5Very low170 Ų170141.8 Ų141.867%0.66774%0.744SS**  trans85.6158.7149.4-89-117.6000122
130Y33.2Very low34.6Very low172 Ų172135.4 Ų135.468%0.67573%0.727SS**  trans62.677.7169.4-65.8-66.3000120.2
131F32.6Very low35.2Very low219 Ų219132 Ų13296%0.96171%0.714SS**  -69.3124.1125.9-121.3-85.9000108.2
132A37Very low35.6Very low79 Ų79131.1 Ų131.165%0.65371%0.71SS**  trans-80.8123.7-171.700000113.4
133L30.8Very low36Very low149 Ų149129.2 Ų129.278%0.7871%0.707SS**  trans39.8108.9136.3-62.4166.4000118.9
134R31.9Very low36.1Very low199 Ų199128.3 Ų128.375%0.75170%0.699SS**  trans-130.4112.1132.6-77.2-165.1175.8-174.3-0.4110.9
135T36.3Very low36.7Very low110 Ų110130.5 Ų130.568%0.67569%0.694SS**  trans45.198.2150.554.30000119.3E137T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.48Å
136S32.7Very low37.2Very low119 Ų119129.7 Ų129.783%0.83269%0.689SS**SBendtrans56.7-32138.648.80000122.7
137E38.4Very low38Very low181 Ų181129.4 Ų129.485%0.84668%0.681SS**  trans-95-11.3-172.6-61.5-174.2148.500113.5T135 A139T135-E137 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 3.48Å; E137-A139 VanDerWaalsContact C-N 3.26Å; E137-A139 PolarHBondContact O-N 3.31Å; E137-A139 VanDerWaalsContact O-N 3.1Å
138S41.2Very low38.6Very low70 Ų70129.4 Ų129.449%0.4968%0.679SS.*THydrogen-bonded Turntrans-77.36.4-168.264.30000116.1G140 S141 L142S138-G140 VanDerWaalsContact C-N 3.3Å; S138-G140 PolarHBondContact O-N 2.83Å; S138-S141 WeakPolarHBondContact O-CA 3.48Å; S138-S141 VanDerWaalsContact O-CB 3.29Å; S138-S141 WeakPolarHBondContact O-CB 3.45Å; S138-S141 PolarHBondContact O-N 3.4Å; S138-L142 PolarHBondContact O-N 3.28Å
139A36Very low39.2Very low79 Ų79126.3 Ų126.365%0.65367%0.665SS**Hα-helixtrans-60.9-37.3178.700000112.6E137 K143E137-A139 VanDerWaalsContact C-N 3.26Å; E137-A139 PolarHBondContact O-N 3.31Å; E137-A139 VanDerWaalsContact O-N 3.1Å; A139-K143 PolarHBondContact O-N 3.47Å
140G38.9Very low39.8Very low53 Ų53129.8 Ų129.855%0.54668%0.677SS.*Hα-helixtrans-67.2-37.3171.200000112.8S138 K143 H144S138-G140 VanDerWaalsContact C-N 3.3Å; S138-G140 PolarHBondContact O-N 2.83Å; G140-K143 PolarHBondContact O-N 2.9Å; G140-H144 PolarHBondContact O-N 3.02Å; G140-H144 VanDerWaalsContact O-N 3.11Å
141S50.5Low40.5Very low72 Ų72129.3 Ų129.350%0.50368%0.68SS.*Hα-helixtrans-61.9-44.2176.8-173.80000111.6S138 K143 H144 F145S138-S141 WeakPolarHBondContact O-CA 3.48Å; S138-S141 VanDerWaalsContact O-CB 3.29Å; S138-S141 WeakPolarHBondContact O-CB 3.45Å; S138-S141 PolarHBondContact O-N 3.4Å; S141-K143 PolarHBondContact O-N 3.33Å; S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.14Å; S141-F145 WeakPolarHBondContact O-CB 3.27Å; S141-F145 PolarHBondContact O-N 2.9Å
142L41.7Very low41.2Very low113 Ų113128.8 Ų128.859%0.59267%0.674SS**Hα-helixtrans-61.6-42179.1-153.885.1000112S138 H144 F145 L146S138-L142 PolarHBondContact O-N 3.28Å; L142-H144 PolarHBondContact O-N 2.95Å; L142-F145 PolarHBondContact O-N 3.13Å; L142-L146 HydrophobicContact CD2-CD1 4.5Å; L142-L146 HydrophobicContact CG-CD1 4.41Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.24Å
143K43.6Very low41.6Very low168 Ų168128.7 Ų128.773%0.7367%0.667SS**Hα-helixtrans-60.1-43.6173.8-106-178.7176.8177.50111.7A139 G140 S141 L146 S147A139-K143 PolarHBondContact O-N 3.47Å; G140-K143 PolarHBondContact O-N 2.9Å; S141-K143 PolarHBondContact O-N 3.33Å; K143-L146 PolarHBondContact O-N 2.96Å; K143-S147 VanDerWaalsContact O-CB 3.25Å; K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.97Å; K143-S147 PolarHBondContact O-OG 2.66Å
144H39.6Very low42.7Very low131 Ų131125.2 Ų125.261%0.60666%0.655SS**Hα-helixtrans-65.6-39.9174.8-114.77.6000112.9G140 S141 L142 L146 S147 V148G140-H144 PolarHBondContact O-N 3.02Å; G140-H144 VanDerWaalsContact O-N 3.11Å; S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.14Å; L142-H144 PolarHBondContact O-N 2.95Å; H144-L146 PolarHBondContact O-N 3.36Å; H144-S147 PolarHBondContact O-N 2.84Å; H144-V148 WeakPolarHBondContact O-CB 3.34Å; H144-V148 VanDerWaalsContact O-CG2 3.31Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 3.39Å
145F44.1Very low43.4Very low126 Ų126120.1 Ų120.155%0.55366%0.656SS**Hα-helixtrans-63.5-32.1179.1-136.6-121.9000112.4S141 L142 K149S141-F145 WeakPolarHBondContact O-CB 3.27Å; S141-F145 PolarHBondContact O-N 2.9Å; L142-F145 PolarHBondContact O-N 3.13Å; F145-K149 WeakPolarHBondContact O-CD 3.2Å; F145-K149 WeakPolarHBondContact O-CG 3.24Å
146L45Very low43.7Very low137 Ų137119.9 Ų119.972%0.71765%0.646SS**Hα-helixtrans-86.6-33.4175.9-66.1169.9000112.9L142 K143 H144L142-L146 HydrophobicContact CD2-CD1 4.5Å; L142-L146 HydrophobicContact CG-CD1 4.41Å; L142-L146 WeakPolarHBondContact O-CG 3.32Å; L142-L146 PolarHBondContact O-N 3.24Å; K143-L146 PolarHBondContact O-N 2.96Å; H144-L146 PolarHBondContact O-N 3.36Å
147S47.6Very low44.3Very low90 Ų90117.1 Ų117.163%0.62963%0.625SS**Hα-helixtrans-84.4-19.5-17779.30000114.9K143 H144K143-S147 VanDerWaalsContact O-CB 3.25Å; K143-S147 WeakPolarHBondContact O-CB 3.45Å; K143-S147 PolarHBondContact O-N 2.97Å; K143-S147 PolarHBondContact O-OG 2.66Å; H144-S147 PolarHBondContact O-N 2.84Å
148V47.1Very low44.3Very low100 Ų100116.6 Ų116.661%0.60662%0.622SS**SBendtrans-105.7-19.3-173.7-177.40000112.9H144 R150H144-V148 WeakPolarHBondContact O-CB 3.34Å; H144-V148 VanDerWaalsContact O-CG2 3.31Å; H144-V148 WeakPolarHBondContact O-CG2 3.45Å; H144-V148 PolarHBondContact O-N 3.39Å; V148-R150 PolarHBondContact O-N 3.41Å
149K43.2Very low44.3Very low116 Ų116119 Ų11950%0.50463%0.626SS.*  trans-75.486.1-177.6-82.5-173.9174.5179.80113.4F145 H151F145-K149 WeakPolarHBondContact O-CD 3.2Å; F145-K149 WeakPolarHBondContact O-CG 3.24Å; K149-H151 PolarHBondContact O-N 3.4Å
150R43.7Very low44.4Very low243 Ų243124 Ų12492%0.91763%0.633SS**  trans-58.5120.7136.1-72.8-175.1176.5-177.6-1107V148V148-R150 PolarHBondContact O-N 3.41Å
151H49.1Very low44.3Very low161 Ų161124.4 Ų124.475%0.74564%0.637SS**  trans-58.7147.5177.5-72.5-103.1000110.3K149 C153K149-H151 PolarHBondContact O-N 3.4Å; H151-C153 VanDerWaalsContact C-N 3.35Å; H151-C153 PolarHBondContact O-N 3.22Å
152Y47.8Very low43.6Very low209 Ų209129.9 Ų129.982%0.8266%0.661SS**  trans-69.194.9173.4179.5-95.7000109.2S154Y152-S154 PolarHBondContact O-N 3.29Å
153C44.9Very low43.4Very low76 Ų76128.4 Ų128.451%0.51467%0.665SS.*  trans-79.5111.8167.9-66.50000108.8H151H151-C153 VanDerWaalsContact C-N 3.35Å; H151-C153 PolarHBondContact O-N 3.22Å
154S52.4Low43.1Very low76 Ų76127.9 Ų127.953%0.53167%0.67SS.*  trans-51.2146.5146.655.30000108.5Y152 K156Y152-S154 PolarHBondContact O-N 3.29Å; S154-K156 PolarHBondContact O-N 3.02Å
155A46.7Very low42.9Very low93 Ų93124.3 Ų124.377%0.76967%0.668SS**  trans-5598.4-177.500000111.9
156K43.3Very low43.1Very low105 Ų105123.5 Ų123.546%0.45767%0.673SS.*  trans-78.6136.4176.1-74.7178.5177.1178.10108.7S154 E158 E159S154-K156 PolarHBondContact O-N 3.02Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.95Å; K156-E159 VanDerWaalsContact CD-CD 3.49Å; K156-E159 HydrophobicContact CD-CG 4.4Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE1 3.85Å; K156-E159 PolarHBondContact NZ-OE1 3.22Å; K156-E159 IonicContact NZ-OE2 2.6Å; K156-E159 PolarHBondContact NZ-OE2 3.22Å
157P44.8Very low43Very low60 Ų60120.8 Ų120.839%0.3966%0.66SS.*SBendtrans-75.6-3.1-173.427.4-33.2000115.8N167P157-N167 WeakPolarHBondContact CB-OD1 3.46Å; P157-N167 PolarHBondContact O-ND2 3.39Å
158E39.5Very low43.2Very low170 Ų170123.9 Ų123.979%0.79466%0.664SS**SBendtrans-130.4-5.8-157.6-73.4164.8169.500116.4K156K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.95Å
159E41.8Very low43.5Very low120 Ų120124.1 Ų124.156%0.56167%0.666SS**SBendtrans-106.54.4-168.8-73.7175.5-178.800115.7K156K156-E159 VanDerWaalsContact CD-CD 3.49Å; K156-E159 HydrophobicContact CD-CG 4.4Å; K156-E159 WeakPolarHBondContact CD-OE2 3.4Å; K156-E159 IonicContact NZ-OE1 3.85Å; K156-E159 PolarHBondContact NZ-OE1 3.22Å; K156-E159 IonicContact NZ-OE2 2.6Å; K156-E159 PolarHBondContact NZ-OE2 3.22Å
160F38.2Very low44.1Very low186 Ų186124.2 Ų124.282%0.81667%0.672SS**SBendtrans-132.6119.7177.6-78.2-86.1000112.3
161G36Very low45.5Very low61 Ų61116.9 Ų116.963%0.62965%0.65SS**  trans-70.3153.1-179.900000114.7A163G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.42Å
162D34.7Very low46.9Very low186 Ų186118.9 Ų118.9100%0.99566%0.657SS**SBendtrans54.61.7152.6-56.8-8.6000120.9
163A38.1Very low48.2Very low83 Ų83113.5 Ų113.569%0.68664%0.642SS**SBendtrans-127.6-46.9-176.100000117G161G161-A163 VanDerWaalsContact C-N 3.26Å; G161-A163 PolarHBondContact O-N 3.42Å
164L38.5Very low49.6Very low157 Ų157113 Ų11382%0.82264%0.639SS**  trans-14028.1-161.7-80.1167.8000114.6T166L164-T166 PolarHBondContact O-N 2.89Å
165G34.3Very low50.7Low56 Ų56117 Ų11758%0.57765%0.649SS**  trans-63.2117.4177.700000112.5N167G165-N167 PolarHBondContact O-N 2.95Å
166T48.8Very low52.2Low108 Ų108115.6 Ų115.666%0.66363%0.634SS**  trans-78.45.3178.144.60000114.2L164L164-T166 PolarHBondContact O-N 2.89Å
167N42.3Very low53.9Low80 Ų80113.4 Ų113.443%0.42862%0.623SS.*SBendtrans-75.8125.3167.5-71.8-24.3000109.8P157 G165 T169P157-N167 WeakPolarHBondContact CB-OD1 3.46Å; P157-N167 PolarHBondContact O-ND2 3.39Å; G165-N167 PolarHBondContact O-N 2.95Å; N167-T169 PolarHBondContact O-N 2.97Å; N167-T169 PolarHBondContact O-OG1 3.22Å
168Q52.4Low55.7Low156 Ų156114.1 Ų114.173%0.72963%0.628SS**  trans-76.446177.1-70-174.8-20.800113L171Q168-L171 HydrophobicContact CB-CD1 4.09Å; Q168-L171 HydrophobicContact CB-CD2 4.06Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.34Å; Q168-L171 WeakPolarHBondContact O-CG 3.19Å
169T52.7Low57.4Low104 Ų104110 Ų11064%0.63861%0.611SS**THydrogen-bonded Turntrans-71.5140.6162.846.60000109.1N167N167-T169 PolarHBondContact O-N 2.97Å; N167-T169 PolarHBondContact O-OG1 3.22Å
170N56.7Low59.1Low118 Ų118107 Ų10763%0.63160%0.603SS**THydrogen-bonded Turntrans73.334.2-177.7-43.7-41.1000115.9F172 L173N170-F172 PolarHBondContact O-N 3.22Å; N170-L173 HydrophobicContact CB-CD1 3.83Å; N170-L173 HydrophobicContact CB-CD2 4.35Å; N170-L173 HydrophobicContact CB-CG 3.86Å; N170-L173 WeakPolarHBondContact O-CG 3.48Å; N170-L173 PolarHBondContact O-N 3.34Å
171L72.5Confident61.1Low89 Ų89102.5 Ų102.547%0.46659%0.587SS.*THydrogen-bonded Turntrans-54.8-18.3173.4-80.8168.5000115.5Q168 S176Q168-L171 HydrophobicContact CB-CD1 4.09Å; Q168-L171 HydrophobicContact CB-CD2 4.06Å; Q168-L171 HydrophobicContact CB-CG 3.98Å; Q168-L171 HydrophobicContact CG-CD2 4.34Å; Q168-L171 WeakPolarHBondContact O-CG 3.19Å; L171-S176 WeakPolarHBondContact O-CB 3.16Å; L171-S176 PolarHBondContact O-OG 3.43Å
172F77.8Confident63.2Low203 Ų203104.1 Ų104.189%0.8957%0.574SS**THydrogen-bonded Turntrans-108.523.6-174.9-59.8-71.6000114.5N170N170-F172 PolarHBondContact O-N 3.22Å
173L77Confident65.3Low96 Ų96100.3 Ų100.350%0.50355%0.553SS.*  trans-57.7157.3171.8-73.4166.6000112.2N170 E175 S176 R177N170-L173 HydrophobicContact CB-CD1 3.83Å; N170-L173 HydrophobicContact CB-CD2 4.35Å; N170-L173 HydrophobicContact CB-CG 3.86Å; N170-L173 WeakPolarHBondContact O-CG 3.48Å; N170-L173 PolarHBondContact O-N 3.34Å; L173-E175 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact O-N 3.15Å; L173-S176 PolarHBondContact N-OG 3.34Å; L173-S176 PolarHBondContact O-N 3.48Å; L173-S176 PolarHBondContact O-OG 3.27Å; L173-S176 VanDerWaalsContact O-OG 3.05Å; L173-R177 PolarHBondContact O-N 3.13Å
174C72.8Confident67.2Low65 Ų65101.2 Ų101.244%0.43955%0.546SS..THydrogen-bonded Turntrans-59-25.5173.5-69.10000112.9R177C174-R177 WeakPolarHBondContact O-CB 3.43Å
175E75.4Confident69Low160 Ų16098.4 Ų98.475%0.74853%0.525SS*.THydrogen-bonded Turntrans-75.4-40.5177.8-63.3178.2-178.900112.8L173 R177 R182L173-E175 PolarHBondContact O-N 3.15Å; L173-E175 VanDerWaalsContact O-N 3.15Å; E175-R177 PolarHBondContact O-N 2.94Å; E175-R182 PolarHBondContact O-NH2 2.91Å
176S78.5Confident71Confident64 Ų6498 Ų9845%0.44852%0.516SS..THydrogen-bonded Turntrans-76.4-6.5179.660.50000114L171 L173 P178L171-S176 WeakPolarHBondContact O-CB 3.16Å; L171-S176 PolarHBondContact O-OG 3.43Å; L173-S176 PolarHBondContact N-OG 3.34Å; L173-S176 PolarHBondContact O-N 3.48Å; L173-S176 PolarHBondContact O-OG 3.27Å; L173-S176 VanDerWaalsContact O-OG 3.05Å; S176-P178 WeakPolarHBondContact O-CD 3.26Å
177R79.8Confident72.2Confident59 Ų59103.1 Ų103.122%0.22352%0.523CS..SBendtrans-62.9124.6176.5-174177-61.4174.13111.1L173 C174 E175 L181 R182L173-R177 PolarHBondContact O-N 3.13Å; C174-R177 WeakPolarHBondContact O-CB 3.43Å; E175-R177 PolarHBondContact O-N 2.94Å; R177-L181 HydrophobicContact CG-CB 3.67Å; R177-R182 HydrophobicContact CB-CG 4.24Å; R177-R182 HydrophobicContact CG-CG 4.11Å; R177-R182 WeakPolarHBondContact O-CG 3.39Å; R177-R182 VanDerWaalsContact O-CZ 3.26Å; R177-R182 PolarHBondContact O-NE 3.34Å; R177-R182 PolarHBondContact O-NH2 2.89Å
178P82.6Confident73.4Confident76 Ų76103.6 Ų103.649%0.49453%0.533SS..  trans-58.6149.2175.1-26.935000113.6S176 S180 L181 R182S176-P178 WeakPolarHBondContact O-CD 3.26Å; P178-S180 VanDerWaalsContact C-N 3.27Å; P178-S180 PolarHBondContact O-N 3.36Å; P178-L181 CarbonylContact O-C 3.57Å; P178-L181 WeakPolarHBondContact O-CA 3.26Å; P178-L181 PolarHBondContact O-N 2.9Å; P178-R182 PolarHBondContact O-N 3.34Å
179D75.7Confident73.6Confident82 Ų8298 Ų9844%0.43951%0.511SS..Hα-helixtrans-58.4-34-175.8-78.3-55.6000114.2L181 R182 L183D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; D179-R182 VanDerWaalsContact CG-NH1 3.31Å; D179-R182 PolarHBondContact O-N 3Å; D179-R182 WeakPolarHBondContact OD1-CD 3.41Å; D179-R182 IonicContact OD1-CZ 2.63Å; D179-R182 IonicContact OD1-NE 2.96Å; D179-R182 IonicContact OD1-NH1 2.76Å; D179-R182 PolarHBondContact OD1-NH1 2.92Å; D179-R182 IonicContact OD2-NH1 3.16Å; D179-R182 PolarHBondContact OD2-NH1 2.7Å; D179-L183 WeakPolarHBondContact O-CB 3.37Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.41Å; D179-L183 PolarHBondContact O-N 3.06Å
180S76.7Confident73.6Confident58 Ų5899 Ų9941%0.40652%0.522SS..Hα-helixtrans-57.3-41.3172.354.30000112.3P178 L184P178-S180 VanDerWaalsContact C-N 3.27Å; P178-S180 PolarHBondContact O-N 3.36Å; S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 2.75Å
181L80.2Confident73Confident91 Ų91101.9 Ų101.948%0.47652%0.524SS..Hα-helixtrans-79.4-30.6175.1-66.8-178.6000112.7R177 P178 D179 L184 Y185R177-L181 HydrophobicContact CG-CB 3.67Å; P178-L181 CarbonylContact O-C 3.57Å; P178-L181 WeakPolarHBondContact O-CA 3.26Å; P178-L181 PolarHBondContact O-N 2.9Å; D179-L181 VanDerWaalsContact C-N 3.29Å; D179-L181 PolarHBondContact O-N 2.87Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L181-Y185 VanDerWaalsContact O-CB 3.27Å; L181-Y185 WeakPolarHBondContact O-CB 3.16Å; L181-Y185 PolarHBondContact O-N 2.79Å
182R80.5Confident72Confident96 Ų96105.9 Ų105.936%0.36254%0.541SS..Hα-helixtrans-62-46.5171.1-62-178-169.1146.5-3.6110.8E175 R177 P178 D179 Y185 A186E175-R182 PolarHBondContact O-NH2 2.91Å; R177-R182 HydrophobicContact CB-CG 4.24Å; R177-R182 HydrophobicContact CG-CG 4.11Å; R177-R182 WeakPolarHBondContact O-CG 3.39Å; R177-R182 VanDerWaalsContact O-CZ 3.26Å; R177-R182 PolarHBondContact O-NE 3.34Å; R177-R182 PolarHBondContact O-NH2 2.89Å; P178-R182 PolarHBondContact O-N 3.34Å; D179-R182 VanDerWaalsContact CG-NH1 3.31Å; D179-R182 PolarHBondContact O-N 3Å; D179-R182 WeakPolarHBondContact OD1-CD 3.41Å; D179-R182 IonicContact OD1-CZ 2.63Å; D179-R182 IonicContact OD1-NE 2.96Å; D179-R182 IonicContact OD1-NH1 2.76Å; D179-R182 PolarHBondContact OD1-NH1 2.92Å; D179-R182 IonicContact OD2-NH1 3.16Å; D179-R182 PolarHBondContact OD2-NH1 2.7Å; R182-Y185 PolarHBondContact O-N 3.14Å; R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 3.45Å
183L77.4Confident70.6Confident106 Ų106102.3 Ų102.356%0.55553%0.531SS*.Hα-helixtrans-64.8-39.8178.1-71.8168000112.7D179 R187D179-L183 WeakPolarHBondContact O-CB 3.37Å; D179-L183 VanDerWaalsContact O-CG 3.28Å; D179-L183 WeakPolarHBondContact O-CG 3.41Å; D179-L183 PolarHBondContact O-N 3.06Å; L183-R187 WeakPolarHBondContact O-CG 3.39Å; L183-R187 PolarHBondContact O-N 3.1Å
184L77.9Confident68.9Low102 Ų102100.2 Ų100.253%0.53452%0.517SS..Hα-helixtrans-68.3-38.9174.2-74.3168.9000112.2S180 L181 R187 S188S180-L184 VanDerWaalsContact O-CG 3.31Å; S180-L184 WeakPolarHBondContact O-CG 3.27Å; S180-L184 PolarHBondContact O-N 2.75Å; L181-L184 HydrophobicContact CD2-CD1 4.31Å; L184-R187 PolarHBondContact O-N 2.9Å; L184-S188 PolarHBondContact O-N 2.63Å; L184-S188 PolarHBondContact O-OG 2.94Å
185Y76.4Confident67.5Low97 Ų97102.4 Ų102.438%0.3853%0.53SS..Hα-helixtrans-65-48.2175.8-165.8-85.4000111.4L181 R182 R187 S188 S189 Y194L181-Y185 VanDerWaalsContact O-CB 3.27Å; L181-Y185 WeakPolarHBondContact O-CB 3.16Å; L181-Y185 PolarHBondContact O-N 2.79Å; R182-Y185 PolarHBondContact O-N 3.14Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-R187 VanDerWaalsContact O-N 3.14Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 CarbonylContact O-C 3.57Å; Y185-S188 PolarHBondContact O-N 3.24Å; Y185-S188 PolarHBondContact O-OG 3.2Å; Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 2.88Å; Y185-Y194 AromaticContact CD1-CD2 3.84Å; Y185-Y194 HydrophobicContact CD1-CD2 3.84Å; Y185-Y194 AromaticContact CD1-CE2 3.82Å; Y185-Y194 HydrophobicContact CD1-CE2 3.82Å; Y185-Y194 AromaticContact CE1-CD2 3.39Å; Y185-Y194 HydrophobicContact CE1-CD2 3.39Å; Y185-Y194 AromaticContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CG 4.3Å
186A76.5Confident65.9Low47 Ų47102.3 Ų102.339%0.38853%0.527SS..Hα-helixtrans-61.4-22.8177.100000113.7R182 F196R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 3.45Å; A186-F196 HydrophobicContact CB-CZ 4.29Å
187R75.7Confident63.8Low216 Ų216101.9 Ų101.982%0.81553%0.533SS*.THydrogen-bonded Turntrans-83.8-12.7171.8-75.9177.2176.2-173.60.6114.5L183 L184 Y185L183-R187 WeakPolarHBondContact O-CG 3.39Å; L183-R187 PolarHBondContact O-N 3.1Å; L184-R187 PolarHBondContact O-N 2.9Å; Y185-R187 PolarHBondContact O-N 3.37Å; Y185-R187 VanDerWaalsContact O-N 3.14Å
188S66.5Low61.9Low90 Ų90107.2 Ų107.263%0.62957%0.565SS**THydrogen-bonded Turntrans-115.7-19.4-176.945.90000113.8L184 Y185 S190L184-S188 PolarHBondContact O-N 2.63Å; L184-S188 PolarHBondContact O-OG 2.94Å; Y185-S188 WeakPolarHBondContact CA-OG 3.45Å; Y185-S188 CarbonylContact O-C 3.57Å; Y185-S188 PolarHBondContact O-N 3.24Å; Y185-S188 PolarHBondContact O-OG 3.2Å; S188-S190 PolarHBondContact O-N 3.09Å; S188-S190 VanDerWaalsContact O-N 3.16Å
189S55.7Low59.4Low38 Ų38110.4 Ų110.427%0.26657%0.574SS.*  trans-78.188.216759.70000111Y185 R191Y185-S189 PolarHBondContact O-N 2.89Å; Y185-S189 PolarHBondContact O-OG 2.88Å; S189-R191 PolarHBondContact O-N 3.16Å; S189-R191 VanDerWaalsContact O-N 3.08Å
190S54.1Low57.3Low125 Ų125115 Ų11587%0.87459%0.59SS**  trans-79.131.1173.270.30000113.2S188S188-S190 PolarHBondContact O-N 3.09Å; S188-S190 VanDerWaalsContact O-N 3.16Å
191R44.5Very low55.1Low180 Ų180118 Ų11868%0.67961%0.608SS**SBendtrans-158.4154.3-166.7-151.1172.3-167.5167.72111.4S189 D193S189-R191 PolarHBondContact O-N 3.16Å; S189-R191 VanDerWaalsContact O-N 3.08Å; R191-D193 WeakPolarHBondContact CD-OD2 3.09Å; R191-D193 PolarHBondContact O-N 3.13Å
192E50.4Low52.6Low173 Ų173121.6 Ų121.681%0.80862%0.619SS**SBendtrans-72.56.7-166.3-59.294.8144.800115.9Y194E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.09Å
193D47.5Very low50.1Low128 Ų128121.9 Ų121.968%0.68463%0.632SS**  trans-76.88.1-169.6-55.2-62000115.5R191R191-D193 WeakPolarHBondContact CD-OD2 3.09Å; R191-D193 PolarHBondContact O-N 3.13Å
194Y42.1Very low47.8Very low51 Ų51123.4 Ų123.420%0.265%0.646CS.*SBendtrans-106120.7174.5-146.4-104.9000110.8Y185 E192 F196Y185-Y194 AromaticContact CD1-CD2 3.84Å; Y185-Y194 HydrophobicContact CD1-CD2 3.84Å; Y185-Y194 AromaticContact CD1-CE2 3.82Å; Y185-Y194 HydrophobicContact CD1-CE2 3.82Å; Y185-Y194 AromaticContact CE1-CD2 3.39Å; Y185-Y194 HydrophobicContact CE1-CD2 3.39Å; Y185-Y194 AromaticContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CE2 3.65Å; Y185-Y194 HydrophobicContact CE1-CG 4.3Å; E192-Y194 PolarHBondContact O-N 3.37Å; E192-Y194 VanDerWaalsContact O-N 3.09Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 HydrophobicContact CD1-CD2 4Å; Y194-F196 AromaticContact CD1-CE2 3.94Å; Y194-F196 HydrophobicContact CD1-CE2 3.94Å; Y194-F196 PolarHBondContact O-N 2.78Å
195P44Very low45.4Very low111 Ų111123.6 Ų123.672%0.72165%0.648SS**  trans-70.488174.429.7-33.8000109.5G197P195-G197 PolarHBondContact O-N 3.43Å
196F41.2Very low43.1Very low158 Ų158124.1 Ų124.169%0.69367%0.665SS**  trans-70.331.7168.9-98.7-80000112.9A186 Y194 L198A186-F196 HydrophobicContact CB-CZ 4.29Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 HydrophobicContact CD1-CD2 4Å; Y194-F196 AromaticContact CD1-CE2 3.94Å; Y194-F196 HydrophobicContact CD1-CE2 3.94Å; Y194-F196 PolarHBondContact O-N 2.78Å; F196-L198 PolarHBondContact O-N 3.32Å
197G35.2Very low40.6Very low55 Ų55130.6 Ų130.657%0.56769%0.685SS**  trans-76.897.8162.900000109.1P195 Q199P195-G197 PolarHBondContact O-N 3.43Å; G197-Q199 PolarHBondContact O-N 3.21Å
198L38.5Very low38.3Very low172 Ų172124.1 Ų124.190%0.90168%0.678SS**  trans-67.958.6153.9-84.1167.5000109.6F196 K200F196-L198 PolarHBondContact O-N 3.32Å; L198-K200 PolarHBondContact O-N 2.88Å
199Q30.2Very low36.4Very low143 Ų143125.3 Ų125.367%0.66868%0.681SS**  trans-66.595.1155.2-71.1-165.364.900105.7G197G197-Q199 PolarHBondContact O-N 3.21Å
200K32.5Very low35Very low179 Ų179132 Ų13278%0.77871%0.708SS**  trans-38.7140.6142.3-65.4179.4177.2-178.50106.9L198 K202L198-K200 PolarHBondContact O-N 2.88Å; K200-K202 PolarHBondContact O-N 3.45Å
201P29.5Very low33.9Very low121 Ų121131.1 Ų131.179%0.78670%0.698SS**  trans-49.4118.4173.422.8-33.4000106.9T203P201-T203 PolarHBondContact O-N 2.83Å
202K28.3Very low33Very low165 Ų165131.7 Ų131.772%0.71771%0.708SS**  trans-59.9109.2176.3-81.7-174.4178.4179.70104.8K200 T204K200-K202 PolarHBondContact O-N 3.45Å; K202-T204 PolarHBondContact O-N 3.18Å
203T28.9Very low32.2Very low102 Ų102128.9 Ų128.963%0.62671%0.705SS**  trans-54.9116.8156.842.60000104.6P201 D205P201-T203 PolarHBondContact O-N 2.83Å; T203-D205 WeakPolarHBondContact CB-OD2 3.33Å; T203-D205 PolarHBondContact O-N 3.26Å; T203-D205 PolarHBondContact OG1-OD2 2.88Å
204T29.1Very low31.3Very low139 Ų139130.5 Ų130.585%0.85371%0.714SS**  trans-7359.2159.546.90000107.5K202 S206K202-T204 PolarHBondContact O-N 3.18Å; T204-S206 PolarHBondContact O-N 3.48Å
205D26.3Very low30.9Very low106 Ų106136.7 Ų136.757%0.56774%0.744SS**  trans-58.794.9149.1-63.3-46.3000104T203 F207T203-D205 WeakPolarHBondContact CB-OD2 3.33Å; T203-D205 PolarHBondContact O-N 3.26Å; T203-D205 PolarHBondContact OG1-OD2 2.88Å; D205-F207 VanDerWaalsContact C-N 3.29Å; D205-F207 PolarHBondContact O-N 3.06Å
206S28.5Very low30.2Very low107 Ų107137 Ų13775%0.74874%0.744SS**  trans-60.2100.9167.950.50000106.1T204 A208T204-S206 PolarHBondContact O-N 3.48Å; S206-A208 PolarHBondContact O-N 3.31Å
207F25Very low29.7Very low183 Ų183138.8 Ų138.880%0.80375%0.752SS**  trans-62.282.1172.9-91.2-96.4000108.7D205 V209D205-F207 VanDerWaalsContact C-N 3.29Å; D205-F207 PolarHBondContact O-N 3.06Å; F207-V209 HydrophobicContact CB-CG2 4.4Å; F207-V209 PolarHBondContact O-N 2.76Å
208A26.1Very low29.6Very low81 Ų81141 Ų14167%0.66975%0.754SS**  trans-66.787.6159.600000106.2S206 Q210S206-A208 PolarHBondContact O-N 3.31Å; A208-Q210 PolarHBondContact O-N 3.36Å
209V26.6Very low29.2Very low115 Ų115139.2 Ų139.270%0.69775%0.746SS**  trans-70.477.2168.9-177.50000107.2F207 T211F207-V209 HydrophobicContact CB-CG2 4.4Å; F207-V209 PolarHBondContact O-N 2.76Å; V209-T211 HydrophobicContact CG1-CG2 4.22Å
210Q27.6Very low29.2Very low177 Ų177139.6 Ų139.683%0.82775%0.752SS**  trans-92.392.7160.2-74.4-170.7-53.100106.9A208 E212A208-Q210 PolarHBondContact O-N 3.36Å; Q210-E212 PolarHBondContact O-N 2.88Å
211T30.2Very low29.2Very low108 Ų108136.4 Ų136.466%0.66375%0.753SS**  trans-57.4127.1164.744.90000109.7V209 P213V209-T211 HydrophobicContact CG1-CG2 4.22Å; T211-P213 WeakPolarHBondContact O-CD 3.35Å
212E26Very low29.3Very low192 Ų192135 Ų13590%0.89775%0.745SS**  trans-66134.6155.7-65.1179.4146.800108.8Q210Q210-E212 PolarHBondContact O-N 2.88Å
213P32.7Very low29.3Very low114 Ų114136.3 Ų136.374%0.7475%0.752SS**  trans-134.576.5167.834.7-14.1000110.1T211T211-P213 WeakPolarHBondContact O-CD 3.35Å
214D28.3Very low29.2Very low162 Ų162137.2 Ų137.287%0.86676%0.762SS**  trans-116.434.2-179-137.618.6000112
215E34.8Very low29.3Very low180 Ų180136.8 Ų136.884%0.84176%0.759SS**  trans-119.7115.5164.1-73.1-159155.900110.6
216V28.1Very low29.5Very low119 Ų119138.2 Ų138.272%0.72177%0.767SS**  trans-87.2112.9-179.4176.80000110.1T218V216-T218 HydrophobicContact CG1-CG2 4.23Å
217F31.6Very low29.6Very low195 Ų195142.9 Ų142.986%0.85577%0.774SS**  trans-135.4150.7157.8-81.8-73.6000110.6
218T32.2Very low29.8Very low100 Ų100144 Ų14461%0.61377%0.773SS**  trans-115.5158-144.458.90000115.7V216V216-T218 HydrophobicContact CG1-CG2 4.23Å
219D29.7Very low30Very low135 Ų135151.3 Ų151.372%0.72278%0.783SS**  trans76.6141.4151.4-51-35.7000121.6
220D30.5Very low30.1Very low151 Ų151151.9 Ų151.981%0.80779%0.789SS**  trans49.2100.2155.6-60.4-18.9000119.2
221S33.9Very low30.3Very low113 Ų113155 Ų15579%0.7979%0.793SS**  -171.1153.360.435.60000114.5
222S30.1Very low30.4Very low90 Ų90155.7 Ų155.763%0.62980%0.8SS**  trans-29.1138.5170.953.60000116
223F28Very low30.7Very low193 Ų193158.5 Ų158.585%0.84680%0.802SS**  -160.1141.569.8-102.5-82.5000113.9
224S28.1Very low30.7Very low122 Ų122163.4 Ų163.485%0.85381%0.806SS**  trans-78.5140.7-178.8-46.90000113.6
225V31Very low30.8Very low129 Ų129167.3 Ų167.378%0.78281%0.809SS**  trans-118.2120.3169.7-179.70000109.5
226D31.3Very low30.5Very low136 Ų136164 Ų16473%0.72781%0.805SS**  trans-83.5128-169.3-172.95.4000112.9R228D226-R228 PolarHBondContact O-N 3.33Å
227F29.3Very low30.7Very low206 Ų206163 Ų16390%0.90480%0.803SS**SBendtrans-78.432.3-172.7-90.1-90.8000114.3
228R29.8Very low30.5Very low207 Ų207163.2 Ų163.278%0.78180%0.804SS**  trans-136.464.6-172.5-67.5-167.5174.8-159.9-0.2116.1D226D226-R228 PolarHBondContact O-N 3.33Å
229R30.1Very low30.5Very low233 Ų233164 Ų16488%0.87981%0.814SS**  trans-167.7129148-102.1139.8-166.6-145.21.9113
230P29.4Very low30.6Very low128 Ų128161.5 Ų161.583%0.83181%0.812SS**  trans-73.8142.1168.231.5-33.4000110.7
231R30.8Very low31Very low242 Ų242161.8 Ų161.891%0.91381%0.814SS**  trans-121.8148.8170.2-83.6-173.3167.2-177.2-3.4111.6
232P32.7Very low31.6Very low122 Ų122162.4 Ų162.479%0.79281%0.813SS**PPolyproline II helixtrans-100.7162.3-151.3-224.5000114.5R234P232-R234 PolarHBondContact O-N 3.35Å
233R31.3Very low32.3Very low252 Ų252163.4 Ų163.495%0.95182%0.817SS**PPolyproline II helixtrans-58.4123.4170.3-70.2171.9164.5144.8-7.1111.3
234R33.6Very low33.2Very low216 Ų216161.6 Ų161.682%0.81582%0.815SS**PPolyproline II helixtrans-97148154.9-101.1-173.1173.1-159.5-0.7109.8P232 E673P232-R234 PolarHBondContact O-N 3.35Å; R234-E673 IonicContact CZ-OE1 3.93Å; R234-E673 IonicContact NE-OE1 3.14Å; R234-E673 IonicContact NH2-OE1 2.77Å; R234-E673 PolarHBondContact NH2-OE1 3.47Å
235R30.9Very low34.3Very low245 Ų245157.7 Ų157.793%0.92579%0.787SS**  trans-105.9130.8-177-73.9175.1162.5-172.5-5.5110.9
236S29Very low35.9Very low110 Ų110154.7 Ų154.777%0.76977%0.77SS**  trans-171.3139.3160.250.60000110.5
237S30.7Very low36.9Very low97 Ų97153 Ų15368%0.67877%0.766SS**  cis-176.4115.9-19.140.60000109.3
238F28Very low38.5Very low200 Ų200149 Ų14988%0.87775%0.75SS**  trans61.3153.3171-70.6-106.4000116
239S32Very low40.3Very low116 Ų116142.8 Ų142.881%0.81173%0.73SS**PPolyproline II helixcis-72.2162.6-0.4-63.20000113.2
240A33Very low41.9Very low84 Ų84137.6 Ų137.669%0.69471%0.714SS**PPolyproline II helixtrans-74.1126.1167.300000109.1T242A240-T242 PolarHBondContact O-N 2.66Å
241D38.4Very low43.2Very low156 Ų156136 Ų13683%0.83470%0.701SS**PPolyproline II helixtrans-54.6128.7163.8-73.4-55.2000108.4
242T46.4Very low44.6Very low126 Ų126130.9 Ų130.977%0.77369%0.688SS**PPolyproline II helixtrans-54.7132.4171.638.80000108.8A240 L244A240-T242 PolarHBondContact O-N 2.66Å; T242-L244 PolarHBondContact O-N 2.73Å
243P44Very low46Very low112 Ų112130.8 Ų130.873%0.72768%0.675SS**PPolyproline II helixtrans-53.7131.3-179.122.9-33.3000109.3P245P243-P245 VanDerWaalsContact O-N 3.16Å
244L46.9Very low47Very low154 Ų154125.8 Ų125.881%0.80666%0.66SS**PPolyproline II helixtrans-52.1125.3178.5-79.3167.5000108.3T242 T246T242-L244 PolarHBondContact O-N 2.73Å; L244-T246 PolarHBondContact O-N 2.71Å
245P52.1Low47.9Very low41 Ų41119.6 Ų119.627%0.26665%0.646SS.*PPolyproline II helixtrans-56.7129.6-170.819.9-31.8000109.7P243 E249 K250P243-P245 VanDerWaalsContact O-N 3.16Å; P245-E249 HydrophobicContact CB-CB 3.7Å; P245-E249 WeakPolarHBondContact CB-OE2 3.14Å; P245-K250 HydrophobicContact CB-CG 4.04Å; P245-K250 HydrophobicContact CG-CG 3.99Å; P245-K250 WeakPolarHBondContact O-CE 3.39Å
246T64Low48.7Very low66 Ų66110.8 Ų110.841%0.40563%0.626SS.*PPolyproline II helixtrans-57.7164.5-179.975.20000110.7L244 E248 E249 K250L244-T246 PolarHBondContact O-N 2.71Å; T246-E248 WeakPolarHBondContact CB-OE2 3.33Å; T246-E248 PolarHBondContact O-N 3.26Å; T246-E248 PolarHBondContact OG1-N 3.47Å; T246-E248 PolarHBondContact OG1-OE2 2.95Å; T246-E249 PolarHBondContact O-N 3.15Å; T246-E249 VanDerWaalsContact O-N 3.1Å; T246-E249 PolarHBondContact OG1-N 3.05Å; T246-K250 WeakPolarHBondContact O-CG 3.13Å; T246-K250 PolarHBondContact O-N 3.23Å
247P53Low49.6Very low101 Ų101109.6 Ų109.666%0.65662%0.622SS**Hα-helixtrans-50.8-41.8171.5-27.537.4000112.3K250 V251P247-K250 PolarHBondContact O-N 2.86Å; P247-V251 WeakPolarHBondContact O-CB 3.5Å; P247-V251 VanDerWaalsContact O-CG2 3.31Å; P247-V251 WeakPolarHBondContact O-CG2 3.22Å; P247-V251 PolarHBondContact O-N 2.89Å
248E63.3Low49.9Very low121 Ų121108.9 Ų108.957%0.56562%0.616SS**Hα-helixtrans-64.9-45.8174.4-5781.8-179.800112.5T246 K250 V251 Q252T246-E248 WeakPolarHBondContact CB-OE2 3.33Å; T246-E248 PolarHBondContact O-N 3.26Å; T246-E248 PolarHBondContact OG1-N 3.47Å; T246-E248 PolarHBondContact OG1-OE2 2.95Å; E248-K250 VanDerWaalsContact C-N 3.31Å; E248-K250 PolarHBondContact O-N 3.01Å; E248-V251 PolarHBondContact O-N 2.6Å; E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 2.81Å
249E66.1Low50.3Low77 Ų77106.5 Ų106.536%0.3661%0.606SS.*Hα-helixtrans-61.8-38.5176.3-92.2-156.8-160.800112.3P245 T246 Q252 K253P245-E249 HydrophobicContact CB-CB 3.7Å; P245-E249 WeakPolarHBondContact CB-OE2 3.14Å; T246-E249 PolarHBondContact O-N 3.15Å; T246-E249 VanDerWaalsContact O-N 3.1Å; T246-E249 PolarHBondContact OG1-N 3.05Å; E249-Q252 PolarHBondContact O-N 3.47Å; E249-K253 VanDerWaalsContact O-CB 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.43Å; E249-K253 WeakPolarHBondContact O-CD 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.31Å; E249-K253 IonicContact OE2-NZ 2.7Å; E249-K253 PolarHBondContact OE2-NZ 2.93Å
250K63.4Low50.2Low124 Ų124106.4 Ų106.454%0.53960%0.603SS.*Hα-helixtrans-64.9-44.6175.9-73.9175.4178.3170.60110.7P245 T246 P247 E248 K253 F254P245-K250 HydrophobicContact CB-CG 4.04Å; P245-K250 HydrophobicContact CG-CG 3.99Å; P245-K250 WeakPolarHBondContact O-CE 3.39Å; T246-K250 WeakPolarHBondContact O-CG 3.13Å; T246-K250 PolarHBondContact O-N 3.23Å; P247-K250 PolarHBondContact O-N 2.86Å; E248-K250 VanDerWaalsContact C-N 3.31Å; E248-K250 PolarHBondContact O-N 3.01Å; K250-K253 PolarHBondContact O-N 3.09Å; K250-F254 VanDerWaalsContact O-CB 3.3Å; K250-F254 WeakPolarHBondContact O-CB 3.48Å; K250-F254 PolarHBondContact O-N 2.94Å
251V57.2Low50.1Low93 Ų93108.4 Ų108.456%0.56461%0.606SS**Hα-helixtrans-65-42.9175.5170.80000111.2P247 E248 F254 V255P247-V251 WeakPolarHBondContact O-CB 3.5Å; P247-V251 VanDerWaalsContact O-CG2 3.31Å; P247-V251 WeakPolarHBondContact O-CG2 3.22Å; P247-V251 PolarHBondContact O-N 2.89Å; E248-V251 PolarHBondContact O-N 2.6Å; V251-F254 PolarHBondContact O-N 2.87Å; V251-V255 HydrophobicContact CG1-CG2 4.26Å; V251-V255 WeakPolarHBondContact O-CB 3.37Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.27Å; V251-V255 PolarHBondContact O-N 2.84Å
252Q61.2Low49.6Very low136 Ų136106.9 Ų106.964%0.63660%0.603SS**Hα-helixtrans-65.6-40.8176.8-73.9-177.66.800112.3E248 E249 F254 V255 A256E248-Q252 WeakPolarHBondContact O-CB 3.49Å; E248-Q252 WeakPolarHBondContact O-CG 3.38Å; E248-Q252 PolarHBondContact O-N 2.81Å; E249-Q252 PolarHBondContact O-N 3.47Å; Q252-F254 VanDerWaalsContact C-N 3.34Å; Q252-V255 PolarHBondContact O-N 2.99Å; Q252-A256 WeakPolarHBondContact O-CB 3.35Å; Q252-A256 PolarHBondContact O-N 2.81Å
253K61.6Low48.7Very low120 Ų120107.9 Ų107.952%0.52260%0.603SS.*Hα-helixtrans-65.5-36.8173.5-76164.2177.3163.50111.6E249 K250 A257E249-K253 VanDerWaalsContact O-CB 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.43Å; E249-K253 WeakPolarHBondContact O-CD 3.41Å; E249-K253 VanDerWaalsContact O-CG 3.27Å; E249-K253 WeakPolarHBondContact O-CG 3.49Å; E249-K253 PolarHBondContact O-N 3.31Å; E249-K253 IonicContact OE2-NZ 2.7Å; E249-K253 PolarHBondContact OE2-NZ 2.93Å; K250-K253 PolarHBondContact O-N 3.09Å; K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.49Å
254F51.2Low48Very low147 Ų147111.3 Ų111.365%0.64561%0.609SS**Hα-helixtrans-67.9-47.7174.1-162.1-94.2000111.7K250 V251 Q252 A256 A257 C258K250-F254 VanDerWaalsContact O-CB 3.3Å; K250-F254 WeakPolarHBondContact O-CB 3.48Å; K250-F254 PolarHBondContact O-N 2.94Å; V251-F254 PolarHBondContact O-N 2.87Å; Q252-F254 VanDerWaalsContact C-N 3.34Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 2.93Å; F254-A257 CarbonylContact O-C 3.43Å; F254-A257 PolarHBondContact O-N 2.94Å; F254-C258 WeakPolarHBondContact O-CB 3.37Å; F254-C258 PolarHBondContact O-N 2.99Å; F254-C258 PolarHBondContact O-SG 3.21Å; F254-C258 VanDerWaalsContact O-SG 3.34Å
255V53.2Low47.3Very low86 Ų86109 Ų10952%0.52160%0.601SS.*Hα-helixtrans-62.5-35.9175.2169.90000111.7V251 Q252 C258 K259V251-V255 HydrophobicContact CG1-CG2 4.26Å; V251-V255 WeakPolarHBondContact O-CB 3.37Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.27Å; V251-V255 PolarHBondContact O-N 2.84Å; Q252-V255 PolarHBondContact O-N 2.99Å; V255-C258 CarbonylContact O-C 3.58Å; V255-C258 PolarHBondContact O-N 3.19Å; V255-K259 PolarHBondContact O-N 3.11Å
256A48.2Very low46.2Very low60 Ų60114.6 Ų114.650%0.49663%0.629SS.*Hα-helixtrans-68.5-40.8173.500000112.4Q252 F254 C258 K259Q252-A256 WeakPolarHBondContact O-CB 3.35Å; Q252-A256 PolarHBondContact O-N 2.81Å; F254-A256 VanDerWaalsContact C-N 3.31Å; F254-A256 PolarHBondContact O-N 2.93Å; A256-C258 VanDerWaalsContact C-N 3.28Å; A256-C258 PolarHBondContact O-N 3.36Å; A256-K259 PolarHBondContact O-N 2.82Å
257A47.4Very low44.9Very low84 Ų84113.8 Ų113.869%0.69462%0.622SS**Hα-helixtrans-69.2-25.6173.300000113K253 F254K253-A257 WeakPolarHBondContact O-CB 3.44Å; K253-A257 PolarHBondContact O-N 3.49Å; F254-A257 CarbonylContact O-C 3.43Å; F254-A257 PolarHBondContact O-N 2.94Å
258C38.4Very low44.3Very low82 Ų82113 Ų11355%0.55462%0.617SS**THydrogen-bonded Turntrans-945174.6-66.70000113.9F254 V255 A256F254-C258 WeakPolarHBondContact O-CB 3.37Å; F254-C258 PolarHBondContact O-N 2.99Å; F254-C258 PolarHBondContact O-SG 3.21Å; F254-C258 VanDerWaalsContact O-SG 3.34Å; V255-C258 CarbonylContact O-C 3.58Å; V255-C258 PolarHBondContact O-N 3.19Å; A256-C258 VanDerWaalsContact C-N 3.28Å; A256-C258 PolarHBondContact O-N 3.36Å
259K34.8Very low43.1Very low150 Ų150110.6 Ų110.665%0.65262%0.617SS**SBendtrans-62.3132166.2-81.4-171.8174.6-175.20108.1V255 A256 T261V255-K259 PolarHBondContact O-N 3.11Å; A256-K259 PolarHBondContact O-N 2.82Å; K259-T261 PolarHBondContact O-N 3.19Å
260P30.4Very low41.8Very low115 Ų115110.5 Ų110.575%0.74763%0.629SS**  trans-63.4112.9-179.725.8-33.4000109T262P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.05Å
261T30.1Very low40.6Very low125 Ų125109.1 Ų109.177%0.76763%0.626SS**  trans-67.596.4166.522.80000107.8K259 L263K259-T261 PolarHBondContact O-N 3.19Å; T261-L263 PolarHBondContact O-N 2.91Å
262T28.1Very low39.9Very low125 Ų125109.5 Ų109.577%0.76763%0.625SS**  trans-62.484.8166.346.60000108.2P260 E264P260-T262 VanDerWaalsContact C-N 3.31Å; P260-T262 PolarHBondContact O-N 3.05Å; T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact O-N 3.39Å
263L28.5Very low39.2Very low147 Ų147109.8 Ų109.877%0.7762%0.624SS**  trans-67.790.6170.4-76.8167.1000107.6T261 V265T261-L263 PolarHBondContact O-N 2.91Å; L263-V265 HydrophobicContact CB-CG2 4.42Å; L263-V265 WeakPolarHBondContact O-CG2 3.47Å; L263-V265 PolarHBondContact O-N 3.04Å
264E28.9Very low38.2Very low183 Ų183113.6 Ų113.686%0.85564%0.635SS**  trans-59.794.3159.1-66.1-169.7135.800107.2T262 D266T262-E264 VanDerWaalsContact C-N 3.26Å; T262-E264 PolarHBondContact O-N 3.39Å; E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.77Å
265V31.5Very low37.6Very low106 Ų106111 Ų11164%0.64263%0.626SS**  trans-7693.5177.8-170.40000106.8L263 L267L263-V265 HydrophobicContact CB-CG2 4.42Å; L263-V265 WeakPolarHBondContact O-CG2 3.47Å; L263-V265 PolarHBondContact O-N 3.04Å; V265-L267 HydrophobicContact CB-CD1 4.27Å; V265-L267 HydrophobicContact CG1-CD1 3.86Å; V265-L267 HydrophobicContact CG1-CG 3.88Å; V265-L267 PolarHBondContact O-N 3.01Å
266D30.6Very low37.2Very low159 Ų159109.9 Ų109.985%0.8562%0.622SS**  trans-67.171-180-155.22.4000110.7E264 P268E264-D266 VanDerWaalsContact C-N 3.31Å; E264-D266 PolarHBondContact O-N 2.77Å; D266-P268 WeakPolarHBondContact O-CD 3.45Å
267L37.1Very low36.7Very low49 Ų49116.7 Ų116.726%0.25764%0.635SS.*  trans-77.4110.1-177.3-94.2151.5000107.9V265 A269 M271 L272 M275V265-L267 HydrophobicContact CB-CD1 4.27Å; V265-L267 HydrophobicContact CG1-CD1 3.86Å; V265-L267 HydrophobicContact CG1-CG 3.88Å; V265-L267 PolarHBondContact O-N 3.01Å; L267-A269 PolarHBondContact O-N 2.87Å; L267-M271 HydrophobicContact CD2-CB 3.78Å; L267-M271 HydrophobicContact CD2-CE 3.62Å; L267-M271 HydrophobicContact CD2-CG 4.47Å; L267-M271 HydrophobicContact CD2-SD 3.94Å; L267-L272 HydrophobicContact CB-CD1 3.68Å; L267-L272 HydrophobicContact CD1-CD1 4.23Å; L267-M275 HydrophobicContact CD1-CE 3.89Å; L267-M275 HydrophobicContact CD2-CE 3.88Å
268P38.4Very low36.4Very low85 Ų85120.8 Ų120.855%0.55264%0.637SS**  trans-55.5138.3-176.122.1-33.5000109.7D266 A270 M271 L272D266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-A270 CarbonylContact O-C 3.58Å; P268-A270 PolarHBondContact O-N 2.74Å; P268-M271 PolarHBondContact O-N 2.83Å; P268-L272 PolarHBondContact O-N 3.43Å
269A39.7Very low36.2Very low70 Ų70127.6 Ų127.658%0.57965%0.651SS**Hα-helixtrans-55.1-18.4-165.400000115.3L267 K273L267-A269 PolarHBondContact O-N 2.87Å; A269-K273 VanDerWaalsContact O-CB 3.27Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 WeakPolarHBondContact O-CG 3.5Å; A269-K273 PolarHBondContact O-N 3.39Å
270A38.7Very low36.1Very low74 Ų74124 Ų12461%0.61265%0.649SS**Hα-helixtrans-68.1-36.4169.800000114.1P268 R274P268-A270 CarbonylContact O-C 3.58Å; P268-A270 PolarHBondContact O-N 2.74Å; A270-R274 WeakPolarHBondContact O-CB 3.43Å; A270-R274 WeakPolarHBondContact O-CG 3.16Å; A270-R274 PolarHBondContact O-N 3.25Å; A270-R274 VanDerWaalsContact O-N 3.08Å
271M38.5Very low36.2Very low96 Ų96124 Ų12447%0.47365%0.647SS.*Hα-helixtrans-73.6-41.2170.2-81.6-170.268.700111.4L267 P268 K273 R274 M275L267-M271 HydrophobicContact CD2-CB 3.78Å; L267-M271 HydrophobicContact CD2-CE 3.62Å; L267-M271 HydrophobicContact CD2-CG 4.47Å; L267-M271 HydrophobicContact CD2-SD 3.94Å; P268-M271 PolarHBondContact O-N 2.83Å; M271-K273 VanDerWaalsContact C-N 3.33Å; M271-K273 PolarHBondContact O-N 2.86Å; M271-R274 CarbonylContact O-C 3.58Å; M271-R274 PolarHBondContact O-N 3.37Å; M271-M275 PolarHBondContact O-N 3.02Å
272L41.6Very low36.2Very low101 Ų101123.2 Ų123.253%0.52965%0.647SS.*Hα-helixtrans-59.5-44.3174.2-131.779.1000111.1L267 P268 R274 M275 S276L267-L272 HydrophobicContact CB-CD1 3.68Å; L267-L272 HydrophobicContact CD1-CD1 4.23Å; P268-L272 PolarHBondContact O-N 3.43Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.38Å; L272-M275 PolarHBondContact O-N 3.07Å; L272-S276 WeakPolarHBondContact O-CB 3.37Å; L272-S276 PolarHBondContact O-N 3.38Å; L272-S276 PolarHBondContact O-OG 3.33Å; L272-S276 VanDerWaalsContact O-OG 3.07Å
273K45.7Very low36.2Very low142 Ų142125 Ų12562%0.61765%0.652SS**Hα-helixtrans-66.6-21.7172-78.6178.1175.1172.90114.5A269 M271 R277A269-K273 VanDerWaalsContact O-CB 3.27Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 WeakPolarHBondContact O-CG 3.5Å; A269-K273 PolarHBondContact O-N 3.39Å; M271-K273 VanDerWaalsContact C-N 3.33Å; M271-K273 PolarHBondContact O-N 2.86Å; K273-R277 VanDerWaalsContact O-CB 3.29Å; K273-R277 WeakPolarHBondContact O-CB 3.34Å; K273-R277 WeakPolarHBondContact O-CD 3.49Å; K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 2.92Å
274R41.9Very low36.3Very low200 Ų200121.9 Ų121.976%0.75565%0.648SS**Hα-helixtrans-85-31174.3-88.1-179.2164.5177.6-3.6113.2A270 M271 L272A270-R274 WeakPolarHBondContact O-CB 3.43Å; A270-R274 WeakPolarHBondContact O-CG 3.16Å; A270-R274 PolarHBondContact O-N 3.25Å; A270-R274 VanDerWaalsContact O-N 3.08Å; M271-R274 CarbonylContact O-C 3.58Å; M271-R274 PolarHBondContact O-N 3.37Å; L272-R274 VanDerWaalsContact C-N 3.3Å; L272-R274 PolarHBondContact O-N 3.38Å
275M38.7Very low36.2Very low91 Ų91121.1 Ų121.145%0.44865%0.649SS.*Hα-helixtrans-83.1-40.1174.5-66.4-163.9-70.400111.8L267 M271 L272 R277 K278 W279L267-M275 HydrophobicContact CD1-CE 3.89Å; L267-M275 HydrophobicContact CD2-CE 3.88Å; M271-M275 PolarHBondContact O-N 3.02Å; L272-M275 PolarHBondContact O-N 3.07Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.23Å; M275-K278 CarbonylContact O-C 3.59Å; M275-K278 WeakPolarHBondContact O-CA 3.47Å; M275-K278 PolarHBondContact O-N 2.85Å; M275-W279 PolarHBondContact O-N 3.05Å
276S43.4Very low36.2Very low64 Ų64120.9 Ų120.945%0.44866%0.658SS.*Hα-helixtrans-61.5-39.5173.368.40000112L272 K278 W279 A280L272-S276 WeakPolarHBondContact O-CB 3.37Å; L272-S276 PolarHBondContact O-N 3.38Å; L272-S276 PolarHBondContact O-OG 3.33Å; L272-S276 VanDerWaalsContact O-OG 3.07Å; S276-K278 PolarHBondContact O-N 3.48Å; S276-K278 VanDerWaalsContact O-N 3.11Å; S276-W279 PolarHBondContact O-N 3.17Å; S276-A280 WeakPolarHBondContact O-CB 3.19Å; S276-A280 PolarHBondContact O-N 3.12Å
277R38.4Very low36.2Very low202 Ų202122 Ų12276%0.76266%0.658SS**Hα-helixtrans-68.3-1.6171.4-73.7-179176.5-162.5-1.8115.3K273 M275K273-R277 VanDerWaalsContact O-CB 3.29Å; K273-R277 WeakPolarHBondContact O-CB 3.34Å; K273-R277 WeakPolarHBondContact O-CD 3.49Å; K273-R277 WeakPolarHBondContact O-CG 3.47Å; K273-R277 PolarHBondContact O-N 2.92Å; M275-R277 VanDerWaalsContact C-N 3.32Å; M275-R277 PolarHBondContact O-N 3.23Å
278K41.9Very low35.9Very low170 Ų170124.6 Ų124.674%0.73968%0.681SS**Hα-helixtrans-114-9.1170.8-74.9-165.2170-162.70114.2M275 S276M275-K278 CarbonylContact O-C 3.59Å; M275-K278 WeakPolarHBondContact O-CA 3.47Å; M275-K278 PolarHBondContact O-N 2.85Å; S276-K278 PolarHBondContact O-N 3.48Å; S276-K278 VanDerWaalsContact O-N 3.11Å
279W32.8Very low35.5Very low225 Ų225128.4 Ų128.485%0.85269%0.691SS**Hα-helixtrans-111.1-16.8172.1-79.7-10.3000114M275 S276 T281M275-W279 PolarHBondContact O-N 3.05Å; S276-W279 PolarHBondContact O-N 3.17Å; W279-T281 PolarHBondContact O-N 2.96Å
280A33.5Very low35Very low74 Ų74134.9 Ų134.961%0.61270%0.701SS**THydrogen-bonded Turntrans-75.35.4174.900000114.7S276S276-A280 WeakPolarHBondContact O-CB 3.19Å; S276-A280 PolarHBondContact O-N 3.12Å
281T31.9Very low34.6Very low116 Ų116139.4 Ų139.471%0.71271%0.706SS**THydrogen-bonded Turntrans-128.247.8-179.358.70000111.6W279W279-T281 PolarHBondContact O-N 2.96Å
282S30.2Very low34.2Very low108 Ų108140.2 Ų140.276%0.75572%0.721SS**THydrogen-bonded Turntrans-150.1-28.3170.7-163.80000114
283N28.9Very low33.6Very low163 Ų163139.3 Ų139.387%0.87273%0.729SS**SBendtrans-109.481.7171.7-85.6-12.5000110.9
284A29.8Very low32.8Very low82 Ų82138.6 Ų138.668%0.67874%0.737SS**  trans-145.737.5178.300000113.5
285N28.1Very low32.2Very low167 Ų167134.9 Ų134.989%0.89374%0.736SS**SBendtrans-161.9157162.1-114.4-42000112
286A30Very low31.9Very low100 Ų100135.5 Ų135.583%0.82676%0.756SS**  trans65.961.6170.200000118.6
287Q31.1Very low31.3Very low183 Ų183139.4 Ų139.486%0.85577%0.772SS**SBendtrans-139.9135.9137-158.4162.6-0.100112.1
288S31.6Very low31.2Very low104 Ų104135 Ų13573%0.72777%0.772SS**  trans46.396.5167.749.60000119.4
289Q29.1Very low30.8Very low164 Ų164136.1 Ų136.177%0.76678%0.78SS**  -60.8178.8129.3-71.4176.4-28.200110.4
290W28.5Very low30.7Very low207 Ų207128.7 Ų128.778%0.78477%0.773SS**  trans71.3129.3174.9-45.477.7000112.2
291K31Very low30.6Very low168 Ų168130.7 Ų130.773%0.7378%0.777SS**  cis-162.4153.310.9-121.7163.9169.5171.80109.6
292S29.7Very low30.3Very low113 Ų113135.1 Ų135.179%0.7979%0.787SS**  trans43.7141.3144.2-56.90000122.2
293A29.2Very low30.3Very low82 Ų82133.7 Ų133.768%0.67879%0.79SS**  cis-170.6176.3-6.300000112.1
294T30.3Very low30.2Very low128 Ų128135.2 Ų135.279%0.78579%0.792SS**  trans66.492.5154.638.60000121.6
295T28.3Very low30.6Very low122 Ų122136.6 Ų136.675%0.74879%0.794SS**  45.6121.8116.756.10000122.4
296A31.7Very low30.7Very low104 Ų104134 Ų13486%0.8679%0.789SS**  -151.7134.8128.900000109.1
297D30.5Very low30.5Very low146 Ų146139.6 Ų139.678%0.78179%0.79SS**  trans-112.2161-173.3-71-69.4000113.1
298S36.3Very low30.4Very low110 Ų110141 Ų14177%0.76979%0.787SS**  trans143.6151.1149.755.50000113.1
299E33.5Very low30.2Very low193 Ų193141.5 Ų141.590%0.90279%0.786SS**  cis-163.5166.1-23.2-111.1-179171.500108.9
300G32.5Very low30.1Very low68 Ų68137.8 Ų137.870%0.70178%0.778SS**  trans77.8110.8168.600000116.3
301T30.1Very low30.2Very low116 Ų116134.9 Ų134.971%0.71278%0.776SS**  cis94.5128.110.4-22.10000118.4
302F25Very low29.9Very low210 Ų210131.6 Ų131.692%0.92178%0.775SS**  trans73139.7165.5-69.6-63.6000122.7
303G30.5Very low30.1Very low78 Ų78131.7 Ų131.780%0.80477%0.773SS**  trans158.6115.8171.500000111.8
304Q28.3Very low30Very low195 Ų195132.7 Ų132.791%0.91178%0.775SS**  trans-116164.4-175-102.9-131.3-2.500113.7
305P37.6Very low29.7Very low111 Ų111132.1 Ų132.172%0.72178%0.775SS**  trans-92.8173.5-165.338.3-37.3000114.5
306S29.2Very low29.7Very low113 Ų113131.3 Ų131.379%0.7978%0.78SS**  trans-147.9168.4167-161.60000113.3
307Y27.2Very low29.7Very low216 Ų216131 Ų13185%0.84778%0.778SS**  trans-77.2-174.3-166.4-54.7-98.6000112.9
308R27.8Very low29.5Very low213 Ų213127.5 Ų127.580%0.80478%0.776SS**  cis-175.5162.528.3-149.9-168.3-163.9-166.84.4112.4
309T28.4Very low29.1Very low115 Ų115127.8 Ų127.871%0.70678%0.778SS**  trans61.7156.9152.134.50000119.9
310S26.6Very low29Very low86 Ų86125.1 Ų125.160%0.60178%0.775SS**  cis178172.7-31.751.90000110.6
311I29.7Very low28.7Very low145 Ų145126.8 Ų126.874%0.74478%0.776SS**  trans74117.4164.8-56.4154.1000113.5
312S25.6Very low29Very low99 Ų99126.4 Ų126.469%0.69278%0.775SS**  cis82.2155.432.689.40000114.9
313P34.4Very low29.3Very low115 Ų115123 Ų12375%0.74777%0.766SS**  cis-139.8-173.1-9.942.7-24.2000115.2
314S25.6Very low29.2Very low103 Ų103126.4 Ų126.472%0.7276%0.761SS**  trans52.9129.2141.2-166.30000123.7
315C25.9Very low29.4Very low117 Ų117125.6 Ų125.679%0.79176%0.757SS**  166.3140.3111-920000115.1
316A28Very low29Very low104 Ų104126 Ų12686%0.8675%0.753SS**  trans57.8145152.300000121.4
317A30.3Very low29.2Very low98 Ų98126.9 Ų126.981%0.8175%0.754SS**  cis-164.3144.5-16.400000112
318G27.5Very low29.4Very low73 Ų73123 Ų12375%0.75375%0.746SS**  trans68.9162.2166.500000116.8
319S27.6Very low29.6Very low115 Ų115119.6 Ų119.680%0.80474%0.744SS**  cis176.8134.9-9.9410000107.3
320V30.4Very low29.6Very low138 Ų138118.9 Ų118.984%0.83674%0.743SS**  cis-136.7-157.13.4-157.90000108.5
321S26.9Very low29.9Very low102 Ų102123 Ų12371%0.71376%0.758SS**  trans-141.6-147.9166.9-46.60000106.3
322P37.2Very low30Very low108 Ų108121.5 Ų121.570%0.70176%0.755SS**  cis-117.5-178.7-40.827.4-4.4000109.7
323L30.3Very low30.5Very low140 Ų140124.5 Ų124.573%0.73376%0.764SS**  166.7148.983.5-90.5133000103.9
324Q28Very low30.5Very low148 Ų148125.7 Ų125.769%0.69276%0.764SS**  cis74.198.922.8-166.4174.5-1.200117.2D326Q324-D326 PolarHBondContact NE2-OD2 2.88Å; Q324-D326 VanDerWaalsContact NE2-OD2 3.09Å
325E33.3Very low31.2Very low179 Ų179130.4 Ų130.484%0.83678%0.775SS**  trans-170.3118.1140-99.2157.8-156.600103.9
326D29Very low31.4Very low118 Ų118132.5 Ų132.563%0.63177%0.773SS**  83.5152.253.6-76-55.7000113.8Q324Q324-D326 PolarHBondContact NE2-OD2 2.88Å; Q324-D326 VanDerWaalsContact NE2-OD2 3.09Å
327V33.3Very low31.7Very low133 Ų133134.9 Ų134.981%0.80677%0.768SS**  trans74.2142.2177.4-169.90000115.7
328I31.7Very low31.8Very low134 Ų134134 Ų13469%0.68776%0.761SS**  cis-179.6171-41.5-101.1161.1000106.2
329D32.1Very low31.7Very low141 Ų141135.5 Ų135.575%0.75477%0.766SS**  trans61.7108.5175.7-59.3-23.7000116.5
330S28.2Very low31.9Very low100 Ų100135.1 Ų135.170%0.69976%0.759SS**  74.2103.75984.60000115
331L33.2Very low31.8Very low174 Ų174138 Ų13891%0.91176%0.763SS**  trans-148.2141.4133.7-140.174.7000109.3
332T31.6Very low32Very low112 Ų112142.8 Ų142.869%0.68777%0.766SS**  trans-86.6153.9172.145.10000110.6
333D36.1Very low31.5Very low163 Ų163144.6 Ų144.687%0.87277%0.769SS**  trans-150.7144.8134.9-100-29.3000108.5
334D35.3Very low31.5Very low139 Ų139146.6 Ų146.674%0.74378%0.775SS**  trans-94.1151.1-169.1-59.9-74.7000113
335E38.6Very low31.6Very low203 Ų203147.4 Ų147.495%0.94978%0.778SS**  -143.9142.1124.6-91.6-141.4124.800110.5
336E31.9Very low31.5Very low161 Ų161147.7 Ų147.775%0.75278%0.779SS**  trans-101.4-173.1-170.8-152.6-163.6149.200111.1
337M32.8Very low31.7Very low154 Ų154147 Ų14776%0.75978%0.784SS**  trans74.2130.7167.9-55.2-66.6169.200117
338A32.1Very low31.7Very low79 Ų79146.5 Ų146.565%0.65378%0.781SS**  cis-153.8141.2-10.400000111
339A27Very low31.8Very low104 Ų104143.4 Ų143.486%0.8677%0.766SS**  trans-70132.316400000110
340T31.8Very low31.9Very low107 Ų107142.8 Ų142.866%0.65676%0.762SS**  trans-138.9115.7157.820.80000110.4R342T340-R342 PolarHBondContact O-N 3.42Å
341E27.3Very low32.3Very low199 Ų199144.7 Ų144.793%0.9376%0.758SS**  trans-56.7132.1159.4-62.2167.211200108.8
342R30.3Very low32.7Very low203 Ų203143.6 Ų143.677%0.76675%0.748SS**  trans-135.9113.5164.1-77.2-165.6169.3132.74.6110.3T340 H344T340-R342 PolarHBondContact O-N 3.42Å; R342-H344 PolarHBondContact O-N 3.39Å
343D28.4Very low32.7Very low145 Ų145141.2 Ų141.278%0.77574%0.735SS**  trans-53.3102.7169.6-68.4-61.3000110.6H345D343-H345 VanDerWaalsContact C-N 3.28Å; D343-H345 PolarHBondContact O-N 3.16Å
344H29.7Very low32.9Very low183 Ų183136.9 Ų136.985%0.84772%0.722SS**  trans-75.989.4163.4-92.2-69.3000108.9R342 E346R342-H344 PolarHBondContact O-N 3.39Å; H344-E346 PolarHBondContact O-N 3Å
345H29.6Very low32.9Very low165 Ų165132.4 Ų132.476%0.76470%0.704SS**  trans-52.1104.6172.4-81.4-78.1000111.5D343 S347D343-H345 VanDerWaalsContact C-N 3.28Å; D343-H345 PolarHBondContact O-N 3.16Å; H345-S347 PolarHBondContact O-N 2.79Å
346E31.1Very low32.8Very low184 Ų184123.9 Ų123.986%0.8667%0.668SS**  trans-69.179.1156.3-72.3-167.1148.200108.8H344 V348H344-E346 PolarHBondContact O-N 3Å; E346-V348 PolarHBondContact O-N 3.34Å
347S33.3Very low33.3Very low105 Ų105121.7 Ų121.773%0.73466%0.656SS**  trans-68.995.1169.257.70000108.7H345 D349H345-S347 PolarHBondContact O-N 2.79Å; S347-D349 PolarHBondContact O-N 3.34Å
348V32.9Very low33.6Very low121 Ų121120.8 Ų120.873%0.73365%0.65SS**  trans-56.7106.3174.4178.80000108.7E346 L350E346-V348 PolarHBondContact O-N 3.34Å; V348-L350 PolarHBondContact O-N 2.8Å
349D33.9Very low33.9Very low70 Ų70123.3 Ų123.337%0.37464%0.644SS.*  trans-66.3114-177.4177.412.6000109.8S347 F351 Q352S347-D349 PolarHBondContact O-N 3.34Å; D349-F351 PolarHBondContact O-N 3.31Å; D349-F351 WeakPolarHBondContact OD1-CD2 3.41Å; D349-F351 PolarHBondContact OD1-N 2.85Å; D349-Q352 HydrophobicContact CB-CG 4.06Å; D349-Q352 PolarHBondContact O-N 2.77Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.18Å; D349-Q352 PolarHBondContact OD2-NE2 3.09Å
350L34.5Very low34.5Very low128 Ų128122.8 Ų122.867%0.6763%0.626SS**THydrogen-bonded Turntrans-59.2-22.8-175.5-87.185.3000112.5V348 Q352 A356V348-L350 PolarHBondContact O-N 2.8Å; L350-Q352 PolarHBondContact O-N 2.93Å; L350-A356 WeakPolarHBondContact O-CB 3.29Å
351F36.8Very low34.7Very low140 Ų140126.3 Ų126.361%0.61463%0.629SS**THydrogen-bonded Turntrans-75.6-8.7176.6-63.1-75.3000114D349 K357D349-F351 PolarHBondContact O-N 3.31Å; D349-F351 WeakPolarHBondContact OD1-CD2 3.41Å; D349-F351 PolarHBondContact OD1-N 2.85Å; F351-K357 WeakPolarHBondContact O-CE 3.33Å; F351-K357 PolarHBondContact O-NZ 2.79Å
352Q41.5Very low35.3Very low151 Ų151122.1 Ų122.171%0.70661%0.612SS**THydrogen-bonded Turntrans-99.1-16.9178.3-61.4-176.738.300113.5D349 L350 A354D349-Q352 HydrophobicContact CB-CG 4.06Å; D349-Q352 PolarHBondContact O-N 2.77Å; D349-Q352 WeakPolarHBondContact OD2-CG 3.18Å; D349-Q352 PolarHBondContact OD2-NE2 3.09Å; L350-Q352 PolarHBondContact O-N 2.93Å; Q352-A354 PolarHBondContact O-N 2.8Å
353C32.9Very low35.5Very low61 Ų61117.6 Ų117.641%0.41260%0.598SS.*  trans-72.8119.8174.6-176.70000110.7A355 A356 K357C353-A355 PolarHBondContact O-N 3.04Å; C353-A356 HydrophobicContact CB-CB 3.77Å; C353-A356 WeakPolarHBondContact O-CB 3.47Å; C353-A356 PolarHBondContact O-N 2.84Å; C353-A356 VanDerWaalsContact O-N 3.13Å; C353-K357 PolarHBondContact O-N 3Å; C353-K357 VanDerWaalsContact O-N 3.16Å
354A38.8Very low35.8Very low73 Ų73114 Ų11460%0.60359%0.589SS**Hα-helixtrans-58.5-46.1-178.800000112.5Q352 A356 K357 E358Q352-A354 PolarHBondContact O-N 2.8Å; A354-A356 VanDerWaalsContact C-N 3.31Å; A354-A356 PolarHBondContact O-N 2.93Å; A354-K357 WeakPolarHBondContact O-CB 3.45Å; A354-K357 PolarHBondContact O-N 3.14Å; A354-K357 VanDerWaalsContact O-N 3.09Å; A354-E358 PolarHBondContact O-N 2.96Å
355A36.1Very low35.8Very low44 Ų44109.4 Ų109.436%0.36458%0.576SS.*Hα-helixtrans-60.7-39.1175.800000112.1C353 K357 E358 Y359C353-A355 PolarHBondContact O-N 3.04Å; A355-K357 VanDerWaalsContact C-N 3.25Å; A355-K357 PolarHBondContact O-N 3.22Å; A355-E358 PolarHBondContact O-N 3.29Å; A355-Y359 HydrophobicContact CB-CD2 4.49Å; A355-Y359 WeakPolarHBondContact O-CD2 3.22Å; A355-Y359 PolarHBondContact O-N 3.42Å
356A36.6Very low35.9Very low24 Ų24109 Ų10920%0.19857%0.572CS.*Hα-helixtrans-63.9-31.717700000112.2L350 C353 A354 L360L350-A356 WeakPolarHBondContact O-CB 3.29Å; C353-A356 HydrophobicContact CB-CB 3.77Å; C353-A356 WeakPolarHBondContact O-CB 3.47Å; C353-A356 PolarHBondContact O-N 2.84Å; C353-A356 VanDerWaalsContact O-N 3.13Å; A354-A356 VanDerWaalsContact C-N 3.31Å; A354-A356 PolarHBondContact O-N 2.93Å; A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 WeakPolarHBondContact O-CD1 3.41Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å
357K42.8Very low35.8Very low116 Ų116111.1 Ų111.150%0.50457%0.574SS.*Hα-helixtrans-68.4-41.2172.9-90172.1165.1149.20112.8F351 C353 A354 A355 Y361F351-K357 WeakPolarHBondContact O-CE 3.33Å; F351-K357 PolarHBondContact O-NZ 2.79Å; C353-K357 PolarHBondContact O-N 3Å; C353-K357 VanDerWaalsContact O-N 3.16Å; A354-K357 WeakPolarHBondContact O-CB 3.45Å; A354-K357 PolarHBondContact O-N 3.14Å; A354-K357 VanDerWaalsContact O-N 3.09Å; A355-K357 VanDerWaalsContact C-N 3.25Å; A355-K357 PolarHBondContact O-N 3.22Å; K357-Y361 WeakPolarHBondContact O-CD2 3.27Å; K357-Y361 PolarHBondContact O-N 3.47Å
358E38.9Very low35.7Very low135 Ų135117.5 Ų117.563%0.63158%0.582SS**Hα-helixtrans-63.3-54.3175-68.1170.1156.200110.4A354 A355 L360 Y361 D362A354-E358 PolarHBondContact O-N 2.96Å; A355-E358 PolarHBondContact O-N 3.29Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.88Å; E358-Y361 PolarHBondContact O-N 2.92Å; E358-Y361 VanDerWaalsContact O-N 3.13Å; E358-D362 PolarHBondContact O-N 2.92Å; E358-D362 VanDerWaalsContact O-N 3.15Å
359Y36.7Very low35.4Very low131 Ų131123.1 Ų123.151%0.51459%0.59SS.*Hα-helixtrans-60.7-34.6178.4-75.6-67.9000113.9A355 Y361 D362 F363A355-Y359 HydrophobicContact CB-CD2 4.49Å; A355-Y359 WeakPolarHBondContact O-CD2 3.22Å; A355-Y359 PolarHBondContact O-N 3.42Å; Y359-Y361 VanDerWaalsContact C-N 3.34Å; Y359-Y361 PolarHBondContact O-N 2.96Å; Y359-D362 PolarHBondContact O-N 3.27Å; Y359-F363 WeakPolarHBondContact O-CD2 3.4Å; Y359-F363 WeakPolarHBondContact O-CE2 3.48Å; Y359-F363 PolarHBondContact O-N 2.92Å
360L40.8Very low35.3Very low94 Ų94128.5 Ų128.549%0.49261%0.612SS.*Hα-helixtrans-67.6-31.4177.7-82.5168.2000113.1A356 E358A356-L360 WeakPolarHBondContact O-CB 3.45Å; A356-L360 WeakPolarHBondContact O-CD1 3.41Å; A356-L360 WeakPolarHBondContact O-CG 3.43Å; A356-L360 PolarHBondContact O-N 3.41Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.88Å
361Y35.6Very low35Very low181 Ų181134.2 Ų134.271%0.7163%0.625SS**Hα-helixtrans-77.7-35.6174.9-87.2-99.3000112K357 E358 Y359 F363 A364K357-Y361 WeakPolarHBondContact O-CD2 3.27Å; K357-Y361 PolarHBondContact O-N 3.47Å; E358-Y361 PolarHBondContact O-N 2.92Å; E358-Y361 VanDerWaalsContact O-N 3.13Å; Y359-Y361 VanDerWaalsContact C-N 3.34Å; Y359-Y361 PolarHBondContact O-N 2.96Å; Y361-F363 PolarHBondContact O-N 2.9Å; Y361-A364 WeakPolarHBondContact O-CB 3.42Å; Y361-A364 PolarHBondContact O-N 2.88Å
362D41Very low35Very low110 Ų110133.9 Ų133.959%0.58863%0.628SS**Hα-helixtrans-65.1-19.3174.4-76.6-20.9000114E358 Y359 P365E358-D362 PolarHBondContact O-N 2.92Å; E358-D362 VanDerWaalsContact O-N 3.15Å; Y359-D362 PolarHBondContact O-N 3.27Å; D362-P365 VanDerWaalsContact O-CD 3.29Å; D362-P365 WeakPolarHBondContact O-CD 3.45Å
363F33.7Very low34.4Very low108 Ų108130.5 Ų130.547%0.47463%0.634SS.*THydrogen-bonded Turntrans-84.1-11.6171.9-67.9-52.3000114.5Y359 Y361 P365Y359-F363 WeakPolarHBondContact O-CD2 3.4Å; Y359-F363 WeakPolarHBondContact O-CE2 3.48Å; Y359-F363 PolarHBondContact O-N 2.92Å; Y361-F363 PolarHBondContact O-N 2.9Å; F363-P365 VanDerWaalsContact C-CD 3.42Å
364A33.9Very low34.2Very low70 Ų70129.1 Ų129.158%0.57963%0.631SS**G310 helixtrans-61.9-32.3-179.500000116Y361 F366Y361-A364 WeakPolarHBondContact O-CB 3.42Å; Y361-A364 PolarHBondContact O-N 2.88Å; A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 3.05Å
365P30.4Very low33.9Very low87 Ų87131.5 Ų131.557%0.56563%0.632SS**G310 helixtrans-68.4-19.5-178.1-23.835.7000115.7D362 F363 Y367 R368D362-P365 VanDerWaalsContact O-CD 3.29Å; D362-P365 WeakPolarHBondContact O-CD 3.45Å; F363-P365 VanDerWaalsContact C-CD 3.42Å; P365-Y367 VanDerWaalsContact C-N 3.32Å; P365-Y367 PolarHBondContact O-N 3.46Å; P365-R368 PolarHBondContact O-N 3.48Å
366F30.7Very low33.8Very low157 Ų157139.4 Ų139.469%0.68966%0.658SS**G310 helixtrans-76-9.8-161.3-76.6-83.2000116A364 R368A364-F366 VanDerWaalsContact C-N 3.3Å; A364-F366 PolarHBondContact O-N 3.05Å; F366-R368 VanDerWaalsContact C-N 3.28Å; F366-R368 PolarHBondContact O-N 2.97Å
367Y29.3Very low33.7Very low228 Ų228145.8 Ų145.889%0.89468%0.683SS**G310 helixtrans-79.61175.9-81.3-79.6000115P365P365-Y367 VanDerWaalsContact C-N 3.32Å; P365-Y367 PolarHBondContact O-N 3.46Å
368R31.7Very low33.1Very low238 Ų238147.3 Ų147.390%0.89869%0.691SS**G310 helixtrans-103.97.9178.7-77.3-172.3174.4177.10.2116P365 F366P365-R368 PolarHBondContact O-N 3.48Å; F366-R368 VanDerWaalsContact C-N 3.28Å; F366-R368 PolarHBondContact O-N 2.97Å
369R27.5Very low32.8Very low239 Ų239149 Ų14990%0.90270%0.703SS**  trans-136.354.4-178.6-69.2-170.3176.6-177.20.7115.4
370Q31.1Very low32.5Very low183 Ų183147.3 Ų147.386%0.85571%0.711SS**  trans-94.3110.2153.9-101.8-172.3-2.100110.2I372Q370-I372 PolarHBondContact O-N 2.82Å; Q370-I372 VanDerWaalsContact O-N 3.13Å
371R29.2Very low32Very low249 Ų249150 Ų15094%0.9472%0.724SS**  trans-68103.3170.8-76.4-179.8169.2179.8-3.8109.5G373R371-G373 PolarHBondContact O-N 3.18Å
372I35.5Very low31.8Very low132 Ų132151.7 Ų151.768%0.67773%0.73SS**  trans-77.873.5166-53.2-177.9000109Q370 G374 I375Q370-I372 PolarHBondContact O-N 2.82Å; Q370-I372 VanDerWaalsContact O-N 3.13Å; I372-G374 PolarHBondContact O-N 3.29Å; I372-I375 HydrophobicContact CG2-CG1 4.36Å
373G28.4Very low31.4Very low81 Ų81157.3 Ų157.384%0.83574%0.743SS**THydrogen-bonded Turntrans-69.894.1162.500000109R371R371-G373 PolarHBondContact O-N 3.18Å
374G29.5Very low31.3Very low32 Ų32158.4 Ų158.433%0.3376%0.76SS.*THydrogen-bonded Turntrans174.6-2.3-177.300000118.3I372 K376 Q377I372-G374 PolarHBondContact O-N 3.29Å; G374-K376 VanDerWaalsContact C-N 3.26Å; G374-K376 PolarHBondContact O-N 3.08Å; G374-Q377 PolarHBondContact O-N 2.74Å; G374-Q377 VanDerWaalsContact O-N 3.12Å
375I31.5Very low31.4Very low123 Ų123164.1 Ų164.163%0.63177%0.772SS**G310 helixtrans-69.1-19.6-171.3-66.3179.3000113.7I372 Q377 F378I372-I375 HydrophobicContact CG2-CG1 4.36Å; I375-Q377 PolarHBondContact O-N 3.29Å; I375-F378 PolarHBondContact O-N 2.7Å
376K34.7Very low31.6Very low209 Ų209171.4 Ų171.491%0.90979%0.788SS**G310 helixtrans-61.2-4.7169.5-79.3-167.4175.1-1760114.7G374G374-K376 VanDerWaalsContact C-N 3.26Å; G374-K376 PolarHBondContact O-N 3.08Å
377Q34.4Very low31.6Very low158 Ų158168.8 Ų168.874%0.73879%0.789SS**G310 helixtrans-107-8.5176.4-68.3-174.9-15.400115.3G374 I375G374-Q377 PolarHBondContact O-N 2.74Å; G374-Q377 VanDerWaalsContact O-N 3.12Å; I375-Q377 PolarHBondContact O-N 3.29Å
378F30.4Very low31.7Very low149 Ų149164 Ų16465%0.65479%0.786SS**G310 helixtrans-95.3-9.9-169.8-88.5-85.4000116.7I375 S380I375-F378 PolarHBondContact O-N 2.7Å; F378-S380 PolarHBondContact O-N 2.92Å
379L32.7Very low31.9Very low169 Ų169158 Ų15889%0.88578%0.776SS**G310 helixtrans-74.32174.4-70.7171.8000114.2
380S30.6Very low32.2Very low97 Ų97152.8 Ų152.868%0.67877%0.771SS**G310 helixtrans-82.6-15.6-177.9-55.40000114.5F378 R382F378-S380 PolarHBondContact O-N 2.92Å; S380-R382 PolarHBondContact O-N 2.93Å
381L29.2Very low32.3Very low150 Ų150153.8 Ų153.879%0.78578%0.776SS**  trans-77.964.5179.6-76.5170.9000112.1R383L381-R383 PolarHBondContact O-N 2.92Å
382R33Very low32.4Very low217 Ų217152.8 Ų152.882%0.81977%0.772SS**  trans-56.2132.7168-71.3177.7170.5169.6-2.2109.7S380S380-R382 PolarHBondContact O-N 2.93Å
383R31.6Very low32.3Very low228 Ų228150.6 Ų150.686%0.8677%0.774SS**  trans-48.3140.7160.3-66.9178.5178.7170.4-0.7108.6L381 K385L381-R383 PolarHBondContact O-N 2.92Å; R383-K385 PolarHBondContact O-N 3.37Å
384P31.1Very low32.5Very low130 Ų130154.7 Ų154.784%0.84477%0.771SS**  trans-61.8104.1-178.624.9-33.7000110.1R386P384-R386 PolarHBondContact O-N 2.91Å
385K36.1Very low32.8Very low190 Ų190162.1 Ų162.183%0.82679%0.794SS**  trans-62.7122.7169.2-83.5-166.5172-170.30107.4R383 S387R383-K385 PolarHBondContact O-N 3.37Å; K385-S387 PolarHBondContact O-N 2.92Å
386R34.4Very low32.8Very low240 Ų240160.6 Ų160.691%0.90679%0.794SS**  trans-49.5124.9159.6-77177.8167.4171.3-5.8107.6P384 P388P384-R386 PolarHBondContact O-N 2.91Å; R386-P388 VanDerWaalsContact O-CD 3.24Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å
387S31.3Very low32.5Very low102 Ų102158.8 Ų158.871%0.71379%0.789SS**  trans-73.5113.9178.647.90000110.4K385K385-S387 PolarHBondContact O-N 2.92Å
388P31.7Very low32.2Very low127 Ų127161.8 Ų161.883%0.82580%0.795SS**  trans-95.298.6172.632.2-18000108.3R386R386-P388 VanDerWaalsContact O-CD 3.24Å; R386-P388 WeakPolarHBondContact O-CD 3.34Å
389T35.2Very low32.1Very low112 Ų112160.9 Ų160.969%0.68780%0.802SS**  trans-133.7134.5176.727.10000110.9
390T33.6Very low32.1Very low130 Ų130156.9 Ų156.980%0.79879%0.788SS**  trans5483.5164.352.60000117.3
391Q34.1Very low31.9Very low204 Ų204161.4 Ų161.495%0.95380%0.796SS**  -126.6149104.8-78.7-161.7-1400109.6
392R30.5Very low31.9Very low228 Ų228160.4 Ų160.486%0.8679%0.792SS**  trans-144.4104.6-165.2-171.2-169.7-164.1-175.85.8109.8
393A34.3Very low31.8Very low87 Ų87157.1 Ų157.172%0.71979%0.79SS**  trans-155.4126.5167.400000105.9
394H31.7Very low31.9Very low166 Ų166150.2 Ų150.277%0.76978%0.782SS**  50.810761.8-61.3-76.9000109.7
395K36Very low32Very low189 Ų189151.4 Ų151.482%0.82278%0.781SS**  -154.213051.1-93.6174.4-178.7179.90109.9
396S33.2Very low31.9Very low90 Ų90148.9 Ų148.963%0.62978%0.777SS**  71.2116.591.278.50000115
397E28.1Very low31.8Very low171 Ų171142.6 Ų142.680%0.79977%0.765SS**  trans23.6127.6141.5-63.6147.9155.500119.1
398Y27.7Very low31.7Very low221 Ų221143.3 Ų143.387%0.86777%0.769SS**  trans-132.1115.1145.8-136.8-90.8000110.5
399T28.1Very low31.8Very low131 Ų131142.8 Ų142.880%0.80476%0.759SS**  trans-110107.9176.148.90000109.9
400S31.8Very low31.6Very low84 Ų84145.6 Ų145.659%0.58776%0.757SS**  trans-161.8117.9161.448.20000107.3
401F27.2Very low31.5Very low192 Ų192150.2 Ų150.284%0.84276%0.76SS**  58.6100.979.2-86.8-79.6000113.4
402N28.3Very low31.4Very low130 Ų130145.3 Ų145.370%0.69575%0.749SS**  trans57145.3146.9-6618.5000122.5
403D32.8Very low31.7Very low147 Ų147143.2 Ų143.279%0.78675%0.746SS**  trans74.1138.6152.2-54.7-31.5000121.5
404A33.7Very low31.7Very low83 Ų83146.7 Ų146.769%0.68675%0.747SS**  trans59.6100.9155.700000120.9
405D31.7Very low31.7Very low156 Ų156147.8 Ų147.883%0.83475%0.75SS**  69.7160.3121.4-60.4-35000123.7
406D34.1Very low31.7Very low137 Ų137149 Ų14973%0.73376%0.755SS**  trans61.791.4163.2-85.6-41000123.3
407T33.2Very low31.6Very low108 Ų108153.8 Ų153.866%0.66377%0.767SS**  50.6120.7112.466.60000122.1
408C27.7Very low32.1Very low117 Ų117150.8 Ų150.879%0.79176%0.762SS**  80.9149.6128.3-70.90000123.1
409D33.8Very low32.4Very low115 Ų115146.1 Ų146.162%0.61576%0.759SS**  trans68.6102.9147.3-96.417.5000122.1
410R31.7Very low32.6Very low172 Ų172149.2 Ų149.265%0.64977%0.765SS**  58.8114.1100.2-179.4-162.3-166.2-179.86117.2
411W31.8Very low32.7Very low226 Ų226149 Ų14986%0.85678%0.775SS**  -159.6139.4106.9-101.7-58.7000114.2
412S31.5Very low32.9Very low102 Ų102146 Ų14671%0.71377%0.768SS**  trans-87.8157.3162.6480000110.6
413K37.1Very low32.9Very low184 Ų184147.1 Ų147.180%0.877%0.769SS**  trans-162.9149.4153.9-112.2163.6-171.4173.60114.5
414E34.5Very low32.8Very low160 Ų160146.4 Ų146.475%0.74877%0.77SS**  trans62.3109.1157.6-58.4-173.2131.800119
415K32.2Very low32.5Very low189 Ų189152.4 Ų152.482%0.82278%0.781SS**  cis93.1110.447.7-80.6-175.3179-177.60112.8
416K36.5Very low32.6Very low215 Ų215151.4 Ų151.494%0.93578%0.78SS**  -159.4132.5125.9-108.1163.4-175174.80109.3
417E30.8Very low32.5Very low190 Ų190149.8 Ų149.889%0.88878%0.78SS**  trans-110.4174.6-172.4-105.2-170.3142.700111.4
418P38.3Very low32.5Very low107 Ų107153.2 Ų153.270%0.69579%0.786SS**  trans-93.5-166.9-160.440.3-39.6000113.3
419P34.3Very low32.8Very low124 Ų124151 Ų15181%0.80577%0.767SS**  trans-120.6164.6139.237.2-31000113.2
420E32.5Very low33Very low196 Ų196150.7 Ų150.792%0.91676%0.764SS**  trans-82.2162.1-172-57.7165.3121.600113.3
421G32.6Very low33.1Very low79 Ų79145.7 Ų145.781%0.81476%0.759SS**  trans-156.836.9-167.200000117.3
422N30.9Very low33.7Very low129 Ų129139.1 Ų139.169%0.6974%0.741SS**  trans10.9122163.4-85-24.4000122.2
423H28.3Very low34Very low154 Ų154137.3 Ų137.371%0.71373%0.728SS**  trans93.2155.7135.8-57.2-23.8000122.3
424T31.2Very low34.2Very low131 Ų131133 Ų13380%0.80471%0.712SS**  trans64.1121.2172.964.40000119.6T426T424-T426 PolarHBondContact O-N 3.2Å
425K29Very low34.4Very low209 Ų209132 Ų13291%0.90971%0.706SS**  trans-69.6111165.8-64.2172.3-179.8174.70108.7S427K425-S427 PolarHBondContact O-N 3.2Å; K425-S427 VanDerWaalsContact O-N 3.11Å
426T32Very low34.7Very low135 Ų135126.5 Ų126.583%0.82869%0.69SS**  trans-72.5100165.144.80000109.1T424T424-T426 PolarHBondContact O-N 3.2Å
427S33.7Very low34.7Very low104 Ų104123.3 Ų123.373%0.72768%0.677SS**  trans-59146.3164.643.90000109.6K425 D429K425-S427 PolarHBondContact O-N 3.2Å; K425-S427 VanDerWaalsContact O-N 3.11Å; S427-D429 VanDerWaalsContact C-N 3.31Å; S427-D429 PolarHBondContact O-N 3.38Å
428F32.1Very low35.2Very low179 Ų179118.7 Ų118.779%0.78566%0.657SS**  trans-72.288.5177.9-169-91.9000109.3I430F428-I430 HydrophobicContact CD1-CG1 4.2Å; F428-I430 PolarHBondContact O-N 2.7Å
429D33.4Very low35.3Very low72 Ų72121.8 Ų121.839%0.38566%0.66SS.*  trans-7393.5-172.9-178.612000112S427 A431 N432 S433S427-D429 VanDerWaalsContact C-N 3.31Å; S427-D429 PolarHBondContact O-N 3.38Å; D429-A431 PolarHBondContact O-N 2.78Å; D429-A431 WeakPolarHBondContact OD1-CA 3.46Å; D429-A431 VanDerWaalsContact OD1-CB 3.25Å; D429-A431 WeakPolarHBondContact OD1-CB 3.46Å; D429-A431 PolarHBondContact OD1-N 3.14Å; D429-N432 HydrophobicContact CB-CB 4.4Å; D429-N432 PolarHBondContact O-N 2.9Å; D429-N432 PolarHBondContact OD1-N 3.14Å; D429-N432 WeakPolarHBondContact OD2-CB 3.4Å; D429-N432 PolarHBondContact OD2-N 3.18Å; D429-N432 PolarHBondContact OD2-ND2 2.88Å; D429-S433 PolarHBondContact O-N 2.85Å
430I39.6Very low35.5Very low108 Ų108124.4 Ų124.455%0.55466%0.658SS**Hα-helixtrans-55.5-34.2174.3-63.7173.3000110.9F428 S433 I434F428-I430 HydrophobicContact CD1-CG1 4.2Å; F428-I430 PolarHBondContact O-N 2.7Å; I430-S433 PolarHBondContact O-N 3.32Å; I430-I434 HydrophobicContact CG2-CD1 3.61Å; I430-I434 HydrophobicContact CG2-CG1 4.12Å; I430-I434 WeakPolarHBondContact O-CB 3.45Å; I430-I434 VanDerWaalsContact O-CG1 3.32Å; I430-I434 WeakPolarHBondContact O-CG1 3.23Å; I430-I434 PolarHBondContact O-N 3.08Å
431A33.6Very low35.7Very low66 Ų66118.6 Ų118.655%0.54564%0.639SS.*Hα-helixtrans-67.4-44.2-179.600000111.5D429 K435D429-A431 PolarHBondContact O-N 2.78Å; D429-A431 WeakPolarHBondContact OD1-CA 3.46Å; D429-A431 VanDerWaalsContact OD1-CB 3.25Å; D429-A431 WeakPolarHBondContact OD1-CB 3.46Å; D429-A431 PolarHBondContact OD1-N 3.14Å; A431-K435 WeakPolarHBondContact O-CB 3.47Å; A431-K435 PolarHBondContact O-N 3.33Å
432N43Very low35.6Very low89 Ų89123 Ų12348%0.47664%0.637SS.*Hα-helixtrans-68.2-32.7172.9-91.5-55.3000112.9D429 K435 C436D429-N432 HydrophobicContact CB-CB 4.4Å; D429-N432 PolarHBondContact O-N 2.9Å; D429-N432 PolarHBondContact OD1-N 3.14Å; D429-N432 WeakPolarHBondContact OD2-CB 3.4Å; D429-N432 PolarHBondContact OD2-N 3.18Å; D429-N432 PolarHBondContact OD2-ND2 2.88Å; N432-K435 PolarHBondContact O-N 2.97Å; N432-C436 WeakPolarHBondContact O-CB 3.46Å; N432-C436 PolarHBondContact O-N 3.16Å; N432-C436 PolarHBondContact O-SG 2.92Å
433S39.3Very low35.3Very low64 Ų64120.8 Ų120.845%0.44863%0.631SS.*Hα-helixtrans-64.5-48.7174-163.40000111.9D429 I430 K435 C436 F437D429-S433 PolarHBondContact O-N 2.85Å; I430-S433 PolarHBondContact O-N 3.32Å; S433-K435 PolarHBondContact O-N 3.44Å; S433-C436 PolarHBondContact O-N 3.16Å; S433-F437 PolarHBondContact O-N 3.17Å
434I40.3Very low35.3Very low92 Ų92122.9 Ų122.947%0.47264%0.639SS.*Hα-helixtrans-62.5-41.6174.5-69.4173.6000111.1I430 C436 F437 L438I430-I434 HydrophobicContact CG2-CD1 3.61Å; I430-I434 HydrophobicContact CG2-CG1 4.12Å; I430-I434 WeakPolarHBondContact O-CB 3.45Å; I430-I434 VanDerWaalsContact O-CG1 3.32Å; I430-I434 WeakPolarHBondContact O-CG1 3.23Å; I430-I434 PolarHBondContact O-N 3.08Å; I434-C436 VanDerWaalsContact C-N 3.3Å; I434-C436 PolarHBondContact O-N 3.19Å; I434-F437 WeakPolarHBondContact O-CB 3.43Å; I434-F437 PolarHBondContact O-N 3.3Å; I434-F437 VanDerWaalsContact O-N 3.08Å; I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.28Å; I434-L438 WeakPolarHBondContact O-CG 3.43Å; I434-L438 PolarHBondContact O-N 2.85Å
435K39.1Very low35.2Very low141 Ų141126.7 Ų126.761%0.61364%0.638SS**Hα-helixtrans-62.8-36.3176.3-164.9173-171.1175.20111.9A431 N432 S433 K439A431-K435 WeakPolarHBondContact O-CB 3.47Å; A431-K435 PolarHBondContact O-N 3.33Å; N432-K435 PolarHBondContact O-N 2.97Å; S433-K435 PolarHBondContact O-N 3.44Å; K435-K439 WeakPolarHBondContact O-CB 3.43Å; K435-K439 PolarHBondContact O-N 3.33Å; K435-K439 VanDerWaalsContact O-N 3.1Å
436C37.7Very low35Very low72 Ų72122.9 Ų122.949%0.48664%0.638SS.*Hα-helixtrans-71.6-33.6170.9-700000113N432 S433 I434 K440N432-C436 WeakPolarHBondContact O-CB 3.46Å; N432-C436 PolarHBondContact O-N 3.16Å; N432-C436 PolarHBondContact O-SG 2.92Å; S433-C436 PolarHBondContact O-N 3.16Å; I434-C436 VanDerWaalsContact C-N 3.3Å; I434-C436 PolarHBondContact O-N 3.19Å; C436-K440 WeakPolarHBondContact O-CB 3.46Å; C436-K440 WeakPolarHBondContact O-CG 3.31Å; C436-K440 PolarHBondContact O-N 2.82Å; C436-K440 VanDerWaalsContact O-N 3.16Å
437F37.5Very low34.8Very low149 Ų149121.3 Ų121.365%0.65463%0.632SS**Hα-helixtrans-68-53.2176.2-151.7-90.6000110.8S433 I434 K439 K440 S441S433-F437 PolarHBondContact O-N 3.17Å; I434-F437 WeakPolarHBondContact O-CB 3.43Å; I434-F437 PolarHBondContact O-N 3.3Å; I434-F437 VanDerWaalsContact O-N 3.08Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.1Å; F437-K440 CarbonylContact O-C 3.56Å; F437-K440 WeakPolarHBondContact O-CA 3.23Å; F437-K440 WeakPolarHBondContact O-CB 3.43Å; F437-K440 PolarHBondContact O-N 2.87Å; F437-S441 PolarHBondContact O-N 3.22Å; F437-S441 PolarHBondContact O-OG 2.8Å
438L40Very low34.5Very low93 Ų93121.9 Ų121.949%0.48764%0.637SS.*Hα-helixtrans-58.6-40.3176.3-70171.5000112.3I434 K440 S441 F442I434-L438 HydrophobicContact CG2-CD1 3.87Å; I434-L438 HydrophobicContact CG2-CG 4.28Å; I434-L438 WeakPolarHBondContact O-CG 3.43Å; I434-L438 PolarHBondContact O-N 2.85Å; L438-K440 PolarHBondContact O-N 3.08Å; L438-S441 PolarHBondContact O-N 3.48Å; L438-F442 HydrophobicContact CD2-CD2 4.47Å; L438-F442 HydrophobicContact CD2-CE2 4.28Å; L438-F442 PolarHBondContact O-N 3.02Å
439K41.9Very low34.3Very low172 Ų172119 Ų11975%0.74864%0.639SS**Hα-helixtrans-71-14.5176-166.2170.5-178179.30113.9K435 F437K435-K439 WeakPolarHBondContact O-CB 3.43Å; K435-K439 PolarHBondContact O-N 3.33Å; K435-K439 VanDerWaalsContact O-N 3.1Å; F437-K439 VanDerWaalsContact C-N 3.32Å; F437-K439 PolarHBondContact O-N 3.1Å
440K37.4Very low34.1Very low178 Ų178121.5 Ų121.577%0.77466%0.656SS**Hα-helixtrans-91.9-35.9168.6-76.3175.8177.8179.40112.4C436 F437 L438C436-K440 WeakPolarHBondContact O-CB 3.46Å; C436-K440 WeakPolarHBondContact O-CG 3.31Å; C436-K440 PolarHBondContact O-N 2.82Å; C436-K440 VanDerWaalsContact O-N 3.16Å; F437-K440 CarbonylContact O-C 3.56Å; F437-K440 WeakPolarHBondContact O-CA 3.23Å; F437-K440 WeakPolarHBondContact O-CB 3.43Å; F437-K440 PolarHBondContact O-N 2.87Å; L438-K440 PolarHBondContact O-N 3.08Å
441S36.2Very low33.6Very low74 Ų74123.1 Ų123.152%0.51767%0.671SS.*Hα-helixtrans-72-32.4177.7-58.70000113.2F437 L438F437-S441 PolarHBondContact O-N 3.22Å; F437-S441 PolarHBondContact O-OG 2.8Å; L438-S441 PolarHBondContact O-N 3.48Å
442F30.6Very low33.3Very low173 Ų173130.9 Ų130.976%0.75969%0.686SS**SBendtrans-107.366.9178.8-71.5-82.2000112.2L438L438-F442 HydrophobicContact CD2-CD2 4.47Å; L438-F442 HydrophobicContact CD2-CE2 4.28Å; L438-F442 PolarHBondContact O-N 3.02Å
443S25.5Very low32.6Very low81 Ų81135.7 Ų135.757%0.56671%0.706SS**  trans-155.578.1170.8-169.60000113.5
444F28.3Very low32.2Very low199 Ų199138.1 Ų138.187%0.87372%0.72SS**  trans-144.697.3154.9-95.2-68.5000113.4
445R29.4Very low31.6Very low210 Ų210138.9 Ų138.979%0.79273%0.733SS**  trans29.2114.3134.5-63.7-179.3167.3-144.7-4.8118.4S447R445-S447 PolarHBondContact O-N 3.09Å
446S23.4Very low31.2Very low130 Ų130141.6 Ų141.691%0.90975%0.748SS**  trans-48.7125.8147.1-41.40000110.3
447S29.2Very low31Very low101 Ų101147 Ų14771%0.70676%0.763SS**  trans-147.6121.8172.7-620000109R445R445-S447 PolarHBondContact O-N 3.09Å
448S26.1Very low30.6Very low117 Ų117146.3 Ų146.382%0.81877%0.771SS**  trans-78.8137.8-178530000112.4
449S29.6Very low30.2Very low119 Ų119146.6 Ų146.683%0.83278%0.779SS**  trans-109.3123.7157.649.90000109.3
450V28.5Very low29.6Very low123 Ų123144.8 Ų144.875%0.74578%0.782SS**PPolyproline II helixtrans-89.1131-178.61730000109.7R452V450-R452 HydrophobicContact CG1-CG 4.41Å
451V29.4Very low29.2Very low142 Ų142141.1 Ų141.186%0.86179%0.785SS**PPolyproline II helixtrans-100.7121.1159.9179.80000107.8
452R26.5Very low29Very low230 Ų230143.8 Ų143.887%0.86879%0.793SS**PPolyproline II helixtrans-83.7132.5177.9-71.7174.2167.2175.1-5.5110.6V450V450-R452 HydrophobicContact CG1-CG 4.41Å
453Q29.4Very low29Very low190 Ų190145.6 Ų145.689%0.88880%0.795SS**  trans-142.6163.3145-99.9-165-16.900109.5
454P29.6Very low29.2Very low115 Ų115151.5 Ų151.575%0.74781%0.811SS**  trans-93.7141.9-135.133.3-37.2000117
455S27.4Very low29.2Very low107 Ų107151.7 Ų151.775%0.74881%0.806SS**  trans8.6107.2141.5173.60000118.4
456Q31.8Very low29.2Very low199 Ų199148.5 Ų148.593%0.9380%0.804SS**  -134170.6125.7-124.6175.12.800110.4
457K32.4Very low29.5Very low184 Ų184149.1 Ų149.180%0.879%0.792SS**  trans-118.3156.7-149.7-102.9-175.8178.9-179.40114.1
458V31.1Very low29.6Very low135 Ų135149.4 Ų149.482%0.81879%0.794SS**  trans79.6147.3149.8159.90000116.8
459P31Very low29.9Very low100 Ų100150.8 Ų150.865%0.64979%0.792SS**  trans-134.2-177.5-146.840-19.7000116.2
460T28.2Very low30Very low134 Ų134151 Ų15182%0.82278%0.783SS**  trans41.8109.2150.651.40000119.7
461A30.7Very low30.2Very low100 Ų100151.9 Ų151.983%0.82678%0.779SS**  trans-155.1159.3139.500000112.8
462D31.7Very low30.5Very low130 Ų130152.5 Ų152.570%0.69577%0.771SS**  trans-25.1156.1176.1-80.2-86.8000125.6
463R29.2Very low30.7Very low211 Ų211147.4 Ų147.480%0.79677%0.765SS**  trans30.4125.2134.5-61.2165.6159.4173.5-8.2120.8
464F31Very low30.7Very low206 Ų206142.5 Ų142.590%0.90476%0.757SS**  170.4120127.2-82.7-62.8000104.3
465R26.9Very low30.8Very low203 Ų203144.2 Ų144.277%0.76677%0.765SS**  cis69.686.722.7-161.9-178.5179.2162.34.6116.1E467R465-E467 IonicContact NE-OE1 2.7Å; R465-E467 IonicContact NH2-OE1 3.58Å
466L30.4Very low30.9Very low143 Ų143142.4 Ų142.475%0.74976%0.764SS**  -150.5131.6121.7-112.262.1000103.9
467E30Very low30.8Very low142 Ų142139.5 Ų139.566%0.66475%0.75SS**  62.3123.580.9-64.4158.8-151.700111.8R465R465-E467 IonicContact NE-OE1 2.7Å; R465-E467 IonicContact NH2-OE1 3.58Å
468S31Very low30.8Very low108 Ų108140.7 Ų140.776%0.75576%0.755SS**  cis-140.3-177.310.664.60000111.4
469L31.4Very low30.6Very low146 Ų146143.8 Ų143.876%0.76475%0.752SS**  cis-144.7-1136-165.268.6000111.8
470D33Very low30.4Very low123 Ų123144.4 Ų144.466%0.65876%0.759SS**  trans-71.4127.2-167.9-66.4-33.3000114.3
471E31.3Very low30.5Very low141 Ų141144.1 Ų144.166%0.65976%0.756SS**  67.512983.4-66.5-158148.400114.1
472K36Very low30.2Very low156 Ų156149.2 Ų149.268%0.67875%0.754SS**  cis-160.1152.3-3.5-90.7148.6176.6149.30106.1
473T31.2Very low30.1Very low122 Ų122150.7 Ų150.775%0.74876%0.762SS**  cis-162.6135.8-15.522.20000105.8
474A30.4Very low29.9Very low87 Ų87147.7 Ų147.772%0.71976%0.757SS**  58.212881.400000113.5
475V30.8Very low29.6Very low151 Ų151147.7 Ų147.792%0.91575%0.752SS**  cis-152149.911.61780000108.2
476G29.5Very low29.6Very low70 Ų70144.7 Ų144.772%0.72276%0.756SS**  cis165.5-177.5-2.100000113.1
477E29.1Very low29.5Very low137 Ų137143.8 Ų143.864%0.6475%0.752SS**  trans-63.7160.4-176.4-60.8174.975.900115.7R479E477-R479 IonicContact OE1-CZ 2.73Å; E477-R479 IonicContact OE1-NE 3.16Å; E477-R479 PolarHBondContact OE1-NE 3.3Å; E477-R479 VanDerWaalsContact OE1-NE 3.14Å; E477-R479 IonicContact OE1-NH2 2.92Å; E477-R479 IonicContact OE2-NH2 2.7Å
478K32.9Very low29.3Very low210 Ų210141.2 Ų141.291%0.91376%0.755SS**  -159.4102.6121.5-106.9148-168.7167.50116.6
479R26.8Very low29.2Very low200 Ų200144.1 Ų144.176%0.75575%0.754SS**  trans-10142.4155.4-58.1174.6-175.2-175.7-2.9120.6E477E477-R479 IonicContact OE1-CZ 2.73Å; E477-R479 IonicContact OE1-NE 3.16Å; E477-R479 PolarHBondContact OE1-NE 3.3Å; E477-R479 VanDerWaalsContact OE1-NE 3.14Å; E477-R479 IonicContact OE1-NH2 2.92Å; E477-R479 IonicContact OE2-NH2 2.7Å
480S26.9Very low29.1Very low112 Ų112141.4 Ų141.478%0.78375%0.747SS**  trans68.8132.7137.2-151.10000118.2
481V30Very low28.9Very low128 Ų128140.9 Ų140.978%0.77675%0.753SS**  -155149.167.7154.70000112.4
482R25.2Very low29Very low208 Ų208140.7 Ų140.779%0.78576%0.756SS**  trans-79.8130.9-178.3-167.8-174.8-156.6156.13.7111.8
483N28.2Very low29Very low160 Ų160138.6 Ų138.686%0.85676%0.758SS**  trans-137.8134.8163.5-107.5-38.7000110
484H25.4Very low29.3Very low149 Ų149137.2 Ų137.269%0.6975%0.745SS**  trans-85.4124.9-168.5-72.6-108.4000112.3
485Y25.6Very low29.9Very low206 Ų206138 Ų13881%0.80875%0.746SS**  trans-117.1127.1151.6-112.9-98000108N487Y485-N487 PolarHBondContact O-N 3.08Å
486V26.8Very low30.4Very low139 Ų139133.8 Ų133.884%0.84272%0.721SS**  trans-73.297.2-178.6179.30000108.5A488V486-A488 PolarHBondContact O-N 3.34Å
487N27.8Very low31.1Very low125 Ų125134.3 Ų134.367%0.66871%0.713SS**  trans-83.4100.2177.8-164.2-5.8000108.7Y485 K489Y485-N487 PolarHBondContact O-N 3.08Å; N487-K489 PolarHBondContact O-N 3.31Å
488A26.9Very low32.1Very low87 Ų87131 Ų13172%0.71971%0.705SS**  trans-73.566.8-17700000111.9V486 S490V486-A488 PolarHBondContact O-N 3.34Å; A488-S490 PolarHBondContact O-N 3.09Å
489K27.5Very low33.1Very low170 Ų170125.2 Ų125.274%0.73968%0.681SS**  trans-7372.9173.3-71.4-169.6171.5-167.70110.9N487 S491N487-K489 PolarHBondContact O-N 3.31Å; K489-S491 VanDerWaalsContact C-N 3.26Å; K489-S491 PolarHBondContact O-N 2.91Å; K489-S491 VanDerWaalsContact O-N 3.09Å
490S29.2Very low34.6Very low89 Ų89119.5 Ų119.562%0.62267%0.669SS**  trans-80.575.4165.659.50000109.9A488 L492A488-S490 PolarHBondContact O-N 3.09Å; S490-L492 PolarHBondContact O-N 3.34Å
491S29.2Very low35.9Very low111 Ų111120.5 Ų120.578%0.77666%0.662SS**  trans-75.372.617254.20000110.3K489K489-S491 VanDerWaalsContact C-N 3.26Å; K489-S491 PolarHBondContact O-N 2.91Å; K489-S491 VanDerWaalsContact O-N 3.09Å
492L34.2Very low37Very low137 Ų137119.4 Ų119.472%0.71765%0.652SS**  trans-128.1133.3172.9-69.9173.2000108.7S490 I494S490-L492 PolarHBondContact O-N 3.34Å; L492-I494 PolarHBondContact O-N 3.2Å
493P36Very low38.4Very low113 Ų113112.7 Ų112.773%0.73463%0.632SS**  trans-64.9121.5177.326.9-33.1000109.6S495P493-S495 VanDerWaalsContact C-N 3.33Å; P493-S495 PolarHBondContact O-N 3.06Å
494I37.8Very low39.4Very low92 Ų92106.9 Ų106.947%0.47261%0.606SS.*  trans-76.688.1-179.6-56.2178.2000107.7L492 Q499 V500 L503L492-I494 PolarHBondContact O-N 3.2Å; I494-Q499 HydrophobicContact CG2-CB 3.74Å; I494-V500 HydrophobicContact CG2-CB 4.46Å; I494-V500 HydrophobicContact CG2-CG2 3.52Å; I494-L503 HydrophobicContact CD1-CD2 3.66Å
495S41.2Very low40.8Very low104 Ų104102.1 Ų102.173%0.72759%0.587SS**  trans-91.4-8.1-169.1-171.30000113.7P493P493-S495 VanDerWaalsContact C-N 3.33Å; P493-S495 PolarHBondContact O-N 3.06Å
496T41.7Very low42.1Very low63 Ų6396.9 Ų96.939%0.38757%0.572SS.*SBendtrans-139.3151.9-174.561.10000113S498 Q499 V500T496-S498 VanDerWaalsContact C-N 3.27Å; T496-S498 PolarHBondContact O-N 3.46Å; T496-S498 PolarHBondContact OG1-OG 2.87Å; T496-Q499 PolarHBondContact O-N 2.99Å; T496-Q499 VanDerWaalsContact O-N 3.13Å; T496-Q499 VanDerWaalsContact OG1-CD 3.26Å; T496-Q499 VanDerWaalsContact OG1-CG 3.27Å; T496-Q499 WeakPolarHBondContact OG1-CG 3.39Å; T496-Q499 PolarHBondContact OG1-OE1 3.46Å; T496-V500 PolarHBondContact O-N 3.4Å
497S44.9Very low43.4Very low81 Ų8195.3 Ų95.357%0.56656%0.559SS**Hα-helixtrans-58.8-35.7178.651.90000113.2Q499 V500 M501S497-Q499 VanDerWaalsContact C-N 3.35Å; S497-Q499 PolarHBondContact O-N 2.99Å; S497-V500 PolarHBondContact O-N 3.12Å; S497-M501 PolarHBondContact O-N 3.33Å
498S49.6Very low44.3Very low68 Ų6897.3 Ų97.348%0.47656%0.557SS.*Hα-helixtrans-64.1-35.8176.1570000112.9T496 M501 N502T496-S498 VanDerWaalsContact C-N 3.27Å; T496-S498 PolarHBondContact O-N 3.46Å; T496-S498 PolarHBondContact OG1-OG 2.87Å; S498-M501 PolarHBondContact O-N 2.83Å; S498-N502 WeakPolarHBondContact O-CB 3.17Å; S498-N502 PolarHBondContact O-N 2.8Å; S498-N502 PolarHBondContact O-ND2 2.97Å
499Q54.1Low45.3Very low88 Ų88101.6 Ų101.641%0.41156%0.555SS.*Hα-helixtrans-69-38.6174.9-68.6168.3-13.900111.6I494 T496 S497 N502 L503I494-Q499 HydrophobicContact CG2-CB 3.74Å; T496-Q499 PolarHBondContact O-N 2.99Å; T496-Q499 VanDerWaalsContact O-N 3.13Å; T496-Q499 VanDerWaalsContact OG1-CD 3.26Å; T496-Q499 VanDerWaalsContact OG1-CG 3.27Å; T496-Q499 WeakPolarHBondContact OG1-CG 3.39Å; T496-Q499 PolarHBondContact OG1-OE1 3.46Å; S497-Q499 VanDerWaalsContact C-N 3.35Å; S497-Q499 PolarHBondContact O-N 2.99Å; Q499-N502 PolarHBondContact O-N 2.98Å; Q499-L503 WeakPolarHBondContact O-CB 3.28Å; Q499-L503 PolarHBondContact O-N 2.84Å
500V59.2Low46.1Very low80 Ų8099.7 Ų99.749%0.48555%0.548SS..Hα-helixtrans-61.5-48.7172.5-1770000110.8I494 T496 S497 N502 L503 A504I494-V500 HydrophobicContact CG2-CB 4.46Å; I494-V500 HydrophobicContact CG2-CG2 3.52Å; T496-V500 PolarHBondContact O-N 3.4Å; S497-V500 PolarHBondContact O-N 3.12Å; V500-N502 PolarHBondContact O-N 2.97Å; V500-L503 PolarHBondContact O-N 3.42Å; V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.03Å
501M53Low46.7Very low133 Ų13399.5 Ų99.566%0.65555%0.552SS**Hα-helixtrans-56.3-46176-96.9-92.8-8100112.6S497 S498 T505S497-M501 PolarHBondContact O-N 3.33Å; S498-M501 PolarHBondContact O-N 2.83Å; M501-T505 VanDerWaalsContact O-CB 3.3Å; M501-T505 WeakPolarHBondContact O-CB 3.34Å; M501-T505 PolarHBondContact O-N 3.27Å; M501-T505 PolarHBondContact O-OG1 3.37Å
502N53.6Low47.2Very low104 Ų10498.1 Ų98.156%0.55654%0.542SS*.Hα-helixtrans-67.3-42.2178.9-78.1-27.8000112.1S498 Q499 V500 T505 L506S498-N502 WeakPolarHBondContact O-CB 3.17Å; S498-N502 PolarHBondContact O-N 2.8Å; S498-N502 PolarHBondContact O-ND2 2.97Å; Q499-N502 PolarHBondContact O-N 2.98Å; V500-N502 PolarHBondContact O-N 2.97Å; N502-T505 PolarHBondContact O-N 2.82Å; N502-L506 PolarHBondContact O-N 3.06Å
503L54.1Low47.2Very low68 Ų6899.9 Ų99.936%0.35654%0.544SS..Hα-helixtrans-64.1-46.7175.8-17570.3000111.6I494 Q499 V500 T505 L506 L507I494-L503 HydrophobicContact CD1-CD2 3.66Å; Q499-L503 WeakPolarHBondContact O-CB 3.28Å; Q499-L503 PolarHBondContact O-N 2.84Å; V500-L503 PolarHBondContact O-N 3.42Å; L503-T505 VanDerWaalsContact C-N 3.26Å; L503-T505 PolarHBondContact O-N 2.99Å; L503-L506 WeakPolarHBondContact O-CB 3.32Å; L503-L506 PolarHBondContact O-N 3.17Å; L503-L507 HydrophobicContact CG-CD1 4.05Å; L503-L507 HydrophobicContact CG-CG 4.47Å; L503-L507 WeakPolarHBondContact O-CB 3.15Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 3.22Å
504A50.3Low47.1Very low38 Ų38102.6 Ų102.631%0.31455%0.545SS..Hα-helixtrans-60.5-37.6176.900000111.9V500 L507 R508V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.03Å; A504-L507 PolarHBondContact O-N 3.28Å; A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.25Å; A504-R508 PolarHBondContact O-N 3.34Å
505T54.1Low46.7Very low49 Ų49109.8 Ų109.830%0.30157%0.566SS.*Hα-helixtrans-69.1-40.8175.3-590000112.1M501 N502 L503 R508 R509M501-T505 VanDerWaalsContact O-CB 3.3Å; M501-T505 WeakPolarHBondContact O-CB 3.34Å; M501-T505 PolarHBondContact O-N 3.27Å; M501-T505 PolarHBondContact O-OG1 3.37Å; N502-T505 PolarHBondContact O-N 2.82Å; L503-T505 VanDerWaalsContact C-N 3.26Å; L503-T505 PolarHBondContact O-N 2.99Å; T505-R508 PolarHBondContact O-N 2.92Å; T505-R509 WeakPolarHBondContact O-CB 3.39Å; T505-R509 WeakPolarHBondContact O-CG 3.35Å; T505-R509 PolarHBondContact O-N 3.41Å
506L52.2Low46.2Very low95 Ų95110.3 Ų110.350%0.49757%0.567SS.*Hα-helixtrans-59.3-49.3171.1-114.192000111N502 L503 R508 R509 H510N502-L506 PolarHBondContact O-N 3.06Å; L503-L506 WeakPolarHBondContact O-CB 3.32Å; L503-L506 PolarHBondContact O-N 3.17Å; L506-R508 PolarHBondContact O-N 2.85Å; L506-R509 CarbonylContact O-C 3.6Å; L506-R509 PolarHBondContact O-N 2.91Å; L506-R509 VanDerWaalsContact O-N 3.1Å; L506-H510 PolarHBondContact O-CD2 3.37Å; L506-H510 PolarHBondContact O-N 2.88Å
507L55Low45.6Very low106 Ų106112 Ų11256%0.55559%0.587SS**Hα-helixtrans-62.5-40.5-178.6-70.2171.8000111.8L503 A504 H510 A511L503-L507 HydrophobicContact CG-CD1 4.05Å; L503-L507 HydrophobicContact CG-CG 4.47Å; L503-L507 WeakPolarHBondContact O-CB 3.15Å; L503-L507 WeakPolarHBondContact O-CG 3.49Å; L503-L507 PolarHBondContact O-N 3.22Å; A504-L507 PolarHBondContact O-N 3.28Å; L507-H510 PolarHBondContact O-N 3.28Å; L507-A511 VanDerWaalsContact O-CB 3.26Å; L507-A511 WeakPolarHBondContact O-CB 3.42Å; L507-A511 PolarHBondContact O-N 3.26Å
508R46.7Very low44.9Very low167 Ų167113 Ų11363%0.6359%0.594SS**Hα-helixtrans-61.4-43.2171.2-74.1174.5-174.2177.64.4112.1A504 T505 L506 A511 S512A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.25Å; A504-R508 PolarHBondContact O-N 3.34Å; T505-R508 PolarHBondContact O-N 2.92Å; L506-R508 PolarHBondContact O-N 2.85Å; R508-A511 PolarHBondContact O-N 3.22Å; R508-S512 PolarHBondContact O-N 3.14Å
509R48Very low43.8Very low177 Ų177120.8 Ų120.867%0.66861%0.613SS**Hα-helixtrans-65.5-34.8176.5-74.1175.8179.5-176.20.9112.6T505 L506 S512 F513T505-R509 WeakPolarHBondContact O-CB 3.39Å; T505-R509 WeakPolarHBondContact O-CG 3.35Å; T505-R509 PolarHBondContact O-N 3.41Å; L506-R509 CarbonylContact O-C 3.6Å; L506-R509 PolarHBondContact O-N 2.91Å; L506-R509 VanDerWaalsContact O-N 3.1Å; R509-S512 PolarHBondContact O-OG 3.47Å; R509-F513 WeakPolarHBondContact O-CD2 3.43Å
510H44.1Very low42.8Very low131 Ų131125.2 Ų125.261%0.60663%0.633SS**Hα-helixtrans-79-34.5175.9-73.5-63.1000113.3L506 L507 S512 F513L506-H510 PolarHBondContact O-CD2 3.37Å; L506-H510 PolarHBondContact O-N 2.88Å; L507-H510 PolarHBondContact O-N 3.28Å; H510-S512 VanDerWaalsContact C-N 3.29Å; H510-S512 PolarHBondContact O-N 3.04Å; H510-F513 PolarHBondContact O-N 3.43Å
511A42.5Very low41.3Very low84 Ų84126.8 Ų126.869%0.69464%0.643SS**Hα-helixtrans-66.5-27178.400000113.6L507 R508 F513L507-A511 VanDerWaalsContact O-CB 3.26Å; L507-A511 WeakPolarHBondContact O-CB 3.42Å; L507-A511 PolarHBondContact O-N 3.26Å; R508-A511 PolarHBondContact O-N 3.22Å; A511-F513 VanDerWaalsContact C-N 3.29Å; A511-F513 PolarHBondContact O-N 2.84Å
512S38.8Very low40.2Very low83 Ų83126.7 Ų126.758%0.5865%0.65SS**THydrogen-bonded Turntrans-73-18.4176.863.20000113.9R508 R509 H510 K514R508-S512 PolarHBondContact O-N 3.14Å; R509-S512 PolarHBondContact O-OG 3.47Å; H510-S512 VanDerWaalsContact C-N 3.29Å; H510-S512 PolarHBondContact O-N 3.04Å; S512-K514 PolarHBondContact O-N 3.29Å
513F33.9Very low39.2Very low173 Ų173128.2 Ų128.276%0.75966%0.663SS**SBendtrans-97.855.3-173.9-89.7-90.1000114.2R509 H510 A511R509-F513 WeakPolarHBondContact O-CD2 3.43Å; H510-F513 PolarHBondContact O-N 3.43Å; A511-F513 VanDerWaalsContact C-N 3.29Å; A511-F513 PolarHBondContact O-N 2.84Å
514K35Very low38Very low171 Ų171132.7 Ų132.774%0.74368%0.682SS**  trans-163.452.5165-113.8156.9-171.4179.90116.5S512S512-K514 PolarHBondContact O-N 3.29Å
515R28.7Very low37Very low243 Ų243137.5 Ų137.592%0.91771%0.707SS**  trans-93.8111.6155-84.1-173.2175.1171.7-0.3109.8A517R515-A517 PolarHBondContact O-N 2.88Å
516P30.4Very low35.8Very low115 Ų115144.3 Ų144.375%0.74773%0.733SS**  trans-68.3129.5170.628.5-32.6000109.4S518P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.26Å
517A28.5Very low34.8Very low99 Ų99145.6 Ų145.682%0.81875%0.75SS**  trans-76.581.9178.100000110.6R515 R519R515-A517 PolarHBondContact O-N 2.88Å; A517-R519 PolarHBondContact O-N 2.86Å
518S31.4Very low33.6Very low101 Ų101145.6 Ų145.671%0.70676%0.759SS**  trans-71.471.7179.647.20000112.7P516 H520P516-S518 VanDerWaalsContact C-N 3.32Å; P516-S518 PolarHBondContact O-N 3.26Å; S518-H520 PolarHBondContact O-N 2.93Å
519R26.9Very low32.8Very low232 Ų232142.6 Ų142.688%0.87576%0.763SS**  trans-64.176.9158.7-78.6-175.4169.2-176.4-2.6109.8A517 V521A517-R519 PolarHBondContact O-N 2.86Å; R519-V521 VanDerWaalsContact C-N 3.3Å; R519-V521 PolarHBondContact O-N 3.11Å
520H31.4Very low32Very low181 Ų181139.8 Ų139.884%0.83877%0.768SS**  trans-78.288.3164.6-99.4-63.3000109.9S518S518-H520 PolarHBondContact O-N 2.93Å
521V29.5Very low31.5Very low112 Ų112145.1 Ų145.168%0.67978%0.782SS**  trans-54.5134.6166.6174.50000109.4R519 T523R519-V521 VanDerWaalsContact C-N 3.3Å; R519-V521 PolarHBondContact O-N 3.11Å; V521-T523 PolarHBondContact O-N 3.28Å; V521-T523 VanDerWaalsContact O-N 3.08Å
522T29.5Very low31.1Very low131 Ų131148.7 Ų148.780%0.80479%0.79SS**  trans-63.2103.2170.921.40000110.7Q524T522-Q524 PolarHBondContact O-N 3.47Å
523T32Very low30.8Very low136 Ų136149.6 Ų149.683%0.83480%0.797SS**PPolyproline II helixtrans-67.4124165.844.10000109.7V521V521-T523 PolarHBondContact O-N 3.28Å; V521-T523 VanDerWaalsContact O-N 3.08Å
524Q28.2Very low30.9Very low162 Ų162144.8 Ų144.876%0.75780%0.795SS**PPolyproline II helixtrans-61.6144.8-170.3-64174.2-19.200114.2T522T522-Q524 PolarHBondContact O-N 3.47Å
525V31.1Very low30.7Very low139 Ų139144 Ų14484%0.84280%0.799SS**PPolyproline II helixtrans-82.1136.3142177.10000107.4S527V525-S527 PolarHBondContact O-N 3.34Å
526K28.3Very low31Very low193 Ų193137.7 Ų137.784%0.83979%0.792SS**PPolyproline II helixtrans-77.5119.8-172.2-63.9177178.4179.40112.4
527S30.2Very low31Very low121 Ų121135.4 Ų135.485%0.84678%0.784SS**  trans-159.652.3160.450.60000113.2V525V525-S527 PolarHBondContact O-N 3.34Å
528S30.3Very low31.2Very low107 Ų107140.6 Ų140.675%0.74878%0.783SS**  trans-117.3146.7159.663.10000108.2
529S29.3Very low31.5Very low104 Ų104143.2 Ų143.273%0.72779%0.788SS**  cis-150.3148.47.4-1730000110.3
530P31.9Very low31.9Very low117 Ų117137.4 Ų137.476%0.7678%0.784SS**  trans-85126.4167.133.2-30.5000111.3
531R33.2Very low32Very low243 Ų243132.1 Ų132.192%0.91778%0.778SS**  trans-169.3110.3153.4-117.1173.6177.8-163.5-3.3113.2
532N35.3Very low32.2Very low160 Ų160130.4 Ų130.486%0.85678%0.783SS**  trans-179139.6153.8-95.9-2.7000103.9
533S32.9Very low32.4Very low102 Ų102130.6 Ų130.671%0.71378%0.775SS**  cis166.1121.8-12.541.80000103.2
534G34.6Very low32.7Very low71 Ų71133.1 Ų133.173%0.73277%0.774SS**  trans80.9156.2-171.200000114.1
535D32.1Very low32.9Very low154 Ų154135.5 Ų135.582%0.82478%0.776SS**  cis-159.1154.5-17.4-143.6-28.1000111.9
536S34Very low33Very low111 Ų111133.2 Ų133.278%0.77677%0.772SS**  trans58.7172.7169.9760000118.2
537A30.6Very low33.1Very low68 Ų68135.5 Ų135.556%0.56278%0.775SS**  -164.5169.1-52.100000109.9
538Y32.3Very low33.2Very low208 Ų208135.8 Ų135.882%0.81677%0.774SS**  trans68.6118.7162.8-58.7-64.7000118.4
539L37.7Very low33.1Very low155 Ų155135.5 Ų135.581%0.81278%0.779SS**  83.5149.1104-72.1175.6000114.5
540S36.4Very low32.9Very low111 Ų111135.9 Ų135.978%0.77678%0.781SS**  cis-151.6155.3-15.6-150.20000105.4
541G33.3Very low32.9Very low70 Ų70137.9 Ų137.972%0.72278%0.784SS**  109.1146.752.600000110
542G34Very low32.8Very low76 Ų76132.6 Ų132.678%0.78478%0.778SS**  trans89.4105.9-177.200000113.2
543E33.1Very low32.6Very low134 Ų134130.4 Ų130.463%0.62678%0.775SS**  cis86.6108.234.1-157.4-153.7167.800115.4R545E543-R545 IonicContact OE1-CZ 3.21Å; E543-R545 IonicContact OE1-NE 3.85Å; E543-R545 PolarHBondContact OE1-NE 3.09Å; E543-R545 IonicContact OE1-NH2 2.77Å; E543-R545 PolarHBondContact OE1-NH2 3.29Å
544K37.3Very low32.5Very low189 Ų189128.5 Ų128.582%0.82277%0.772SS**  trans-176.4126.1137.4-91.9143.3-169.1177.30106.7
545R33.6Very low32.5Very low212 Ų212132.7 Ų132.780%0.878%0.777SS**  61.513169.1-60.6-177.2-165.5-143.85.7111.5E543E543-R545 IonicContact OE1-CZ 3.21Å; E543-R545 IonicContact OE1-NE 3.85Å; E543-R545 PolarHBondContact OE1-NE 3.09Å; E543-R545 IonicContact OE1-NH2 2.77Å; E543-R545 PolarHBondContact OE1-NH2 3.29Å
546A32.5Very low32.5Very low91 Ų91128.7 Ų128.775%0.75276%0.761SS**  cis-140.6139.11200000111.2
547R31Very low32.4Very low242 Ų242131.7 Ų131.791%0.91376%0.763SS**  61.5136.2101.5-74.5-169.2170.3-179.5-2.9117.7
548P32Very low32.4Very low126 Ų126136.1 Ų136.182%0.81878%0.776SS**  trans-93.6179.3-179.440.5-37.9000113.6
549A28.1Very low32.2Very low102 Ų102131.3 Ų131.384%0.84377%0.772SS**  trans-118.2142.4168.300000111.4
550S25.3Very low31.8Very low111 Ų111132.7 Ų132.778%0.77678%0.779SS**  trans-158.2126.1176.6590000111.3
551I32Very low31.5Very low159 Ų159130.6 Ų130.682%0.81578%0.776SS**  trans-146.2109.1174.4-60.6-175.3000104.4
552V30.7Very low31.3Very low133 Ų133136.4 Ų136.481%0.80679%0.789SS**  62.7133.388.8177.90000111.6
553S31.1Very low31Very low113 Ų113136.4 Ų136.479%0.7979%0.79SS**  cis-112.3173.112.5-44.90000111.5
554G31.6Very low30.8Very low62 Ų62139.2 Ų139.264%0.63980%0.803SS**  cis110.7149.329.300000109.6
555D33.9Very low30.5Very low160 Ų160141.6 Ų141.686%0.85681%0.807SS**  cis-170.8167.2-7.5-119.1-62.6000108.2
556S32.3Very low30.4Very low69 Ų69137.4 Ų137.448%0.48380%0.804SS.*  cis-158.9170.33.765.90000111.2
557Q32.1Very low30.3Very low175 Ų175141.4 Ų141.482%0.81881%0.807SS**  trans70.3149.2160-59.816862.200117.2
558I30Very low30.2Very low161 Ų161135 Ų13583%0.82680%0.799SS**  cis-122.9152.810.4-64.7170.1000110.6
559S28.6Very low30Very low106 Ų106136.8 Ų136.874%0.74180%0.802SS**  trans-97.6156-174.3-46.40000115.3
560L29.5Very low30.1Very low184 Ų184137.6 Ų137.696%0.96380%0.797SS**  trans159.4140.4143.2-88.6168.5000108.5
561G30Very low30.2Very low68 Ų68142.2 Ų142.270%0.70180%0.798SS**  cis-172.2146.5-700000109.6
562L28.4Very low30.1Very low191 Ų191143.1 Ų143.1100%180%0.799SS**  trans-57.9146.7-169-68.7160.8000115.4
563G28Very low30.1Very low77 Ų77142.4 Ų142.479%0.79480%0.797SS**  trans-17691.2169.700000115.9R565G563-R565 PolarHBondContact O-N 2.94Å
564E28.1Very low30.1Very low192 Ų192140.1 Ų140.190%0.89779%0.791SS**  trans-72.8117.3169.8-64.6-176.9119.300111.8
565R31.3Very low29.9Very low240 Ų240148.4 Ų148.491%0.90681%0.805SS**  trans-165.295.3155.9-119.3164.3-104.7-156.7-4.8115.7G563G563-R565 PolarHBondContact O-N 2.94Å
566V32.9Very low29.7Very low123 Ų123149.2 Ų149.275%0.74580%0.804SS**  24.1109127.9-1750000117.6
567H28.5Very low29.6Very low175 Ų175152.6 Ų152.681%0.8182%0.815SS**  trans67.399.1153.2-67.252.1000120.5
568S29Very low29.5Very low108 Ų108150.6 Ų150.676%0.75581%0.809SS**  -167.3128.1112.350.70000111.5T570S568-T570 PolarHBondContact O-N 3.34Å
569N28.7Very low29.4Very low164 Ų164152.4 Ų152.488%0.87781%0.807SS**  trans-81.4102.3-173.7-71.9-4.1000111.7
570T29.1Very low29.4Very low119 Ų119153 Ų15373%0.7381%0.809SS**  trans-101.5122.7169.2-56.40000109.7S568S568-T570 PolarHBondContact O-N 3.34Å
571Y27.3Very low29.3Very low207 Ų207153.5 Ų153.581%0.81281%0.806SS**  trans-117.5141.6167.6-92.1-81.8000109.7
572H31.7Very low29.5Very low179 Ų179158.4 Ų158.483%0.82981%0.811SS**  trans-39.8129.2-163.3-64.6-85.8000118.1
573P30.1Very low29.4Very low118 Ų118155.7 Ų155.777%0.76681%0.806SS**  trans-80.8160.2144.936-31.9000110.6
574G29.9Very low29.5Very low65 Ų65158.1 Ų158.167%0.6781%0.806SS**  trans127.774.6162.400000117.2
575Y28.9Very low29.5Very low236 Ų236156.4 Ų156.493%0.92580%0.803SS**  trans-152.197.9140.8-95.4-70000107.3
576Q28.9Very low29.3Very low177 Ų177150.5 Ų150.583%0.82780%0.798SS**  trans-97104.2-175.3-174.9171.7-3.900109.2
577I30.5Very low29.2Very low140 Ų140152.5 Ų152.572%0.71880%0.803SS**  trans-93.6112.5170.1-59.2177.3000106.9Y579I577-Y579 PolarHBondContact O-N 2.86Å
578N30.8Very low29.3Very low132 Ų132148.7 Ų148.771%0.70680%0.797SS**PPolyproline II helixtrans-70.7127.4179-67.6-20.3000110.2
579Y26.7Very low29.2Very low199 Ų199153.6 Ų153.678%0.7880%0.804SS**PPolyproline II helixtrans-98.4146.7157.7-74.1-88.6000108I577 E581I577-Y579 PolarHBondContact O-N 2.86Å; Y579-E581 PolarHBondContact O-N 3.13Å
580P29.7Very low29.1Very low120 Ų120150.8 Ų150.878%0.77980%0.804SS**PPolyproline II helixtrans-66127.4178.826.1-33.4000111.4E582P580-E582 PolarHBondContact O-N 3.45Å
581E27.8Very low29Very low193 Ų193150.4 Ų150.490%0.90281%0.806SS**  trans-86.983.6175-70.6-164.9142.800111.2Y579Y579-E581 PolarHBondContact O-N 3.13Å
582E33.3Very low29.1Very low171 Ų171147.1 Ų147.180%0.79981%0.808SS**  trans-125.8159.1167.3-67.1-169.2175.800111.5P580P580-E582 PolarHBondContact O-N 3.45Å
583C26.9Very low28.9Very low134 Ų134144.3 Ų144.391%0.90581%0.806SS**SBendtrans70.535.1-177.2-62.50000118
584T28.8Very low28.7Very low128 Ų128147.1 Ų147.179%0.78581%0.813SS**  trans-129.683.5153.957.50000112.7
585N29Very low28.5Very low156 Ų156152.2 Ų152.283%0.83482%0.823SS**  trans-150.5133.6167.6-100.9-43000111.9
586S27.7Very low28.4Very low116 Ų116145.2 Ų145.281%0.81181%0.814SS**  trans60.4151.3-17278.70000114.8
587I29.4Very low28.2Very low165 Ų165142.3 Ų142.385%0.84681%0.813SS**  cis-108.71397.3-67.1169.5000111.1
588S30.4Very low28.1Very low96 Ų96140.4 Ų140.467%0.67182%0.818SS**  trans-90.4144.117943.40000113.2
589K27.1Very low27.9Very low210 Ų210142.1 Ų142.191%0.91383%0.827SS**  trans28.999.2148.2-58.2176.2-176.4174.70117.9
590A27.8Very low28.2Very low105 Ų105137.4 Ų137.487%0.86882%0.82SS**  trans-138.1130.2150.300000109.3
591S25.4Very low28.3Very low111 Ų111138.8 Ų138.878%0.77682%0.821SS**  trans-149.595.9-169.358.80000113.3
592T29.5Very low28.2Very low138 Ų138138.1 Ų138.185%0.84782%0.818SS**  trans-159.8127.7167.915.50000111.2
593P27.5Very low27.9Very low121 Ų121135.5 Ų135.579%0.78681%0.813SS**  trans-101.8140.6166.635.8-28.6000111.7
594L27.4Very low28.1Very low177 Ų177136.4 Ų136.493%0.92781%0.808SS**  trans-139.4161.6168.4-82.1178.5000111.8
595I24.4Very low27.9Very low171 Ų171136.2 Ų136.288%0.87781%0.807SS**  trans-131.6123.3-163.4-59.8165.9000110.4
596A27.4Very low28.1Very low89 Ų89137.3 Ų137.374%0.73680%0.804SS**  trans-172.6127.8156.100000107.1
597S24.7Very low28.1Very low116 Ų116138.9 Ų138.981%0.81180%0.798SS**  cis89.78137.978.20000114.9
598A29.1Very low28Very low100 Ų100137.6 Ų137.683%0.82679%0.793SS**  trans-162.5126.6155.800000112.9
599L25.2Very low27.9Very low169 Ų169139.7 Ų139.789%0.88580%0.796SS**  trans-135.8169.5158.7-103.586.4000105.6
600P34Very low27.8Very low99 Ų99139.9 Ų139.964%0.64379%0.791SS**  cis-126.2-169.9-36.838.6-22.9000110.3
601N30.6Very low28Very low150 Ų150140.8 Ų140.880%0.80279%0.786SS**  trans168.6112.8134.9-88.2-26000115.3
602H26.3Very low28Very low179 Ų179146 Ų14683%0.82979%0.788SS**  35.5164.3124-120.8-95.9000125.9
603V27.7Very low28.1Very low115 Ų115148.2 Ų148.270%0.69779%0.789SS**  trans86141.5159.7-137.70000120.7
604L30Very low28Very low153 Ų153147 Ų14780%0.80179%0.789SS**  trans71.3115.8170.1-52.8-179.2000116.5
605V26Very low28.1Very low125 Ų125145.2 Ų145.276%0.75879%0.785SS**  cis73.591.825.7-166.10000115.1
606K32.1Very low28.4Very low179 Ų179142.6 Ų142.678%0.77878%0.78SS**  -177.9130.6128.1-104.4167.8-177.2175.30116.2
607Q27.5Very low28.2Very low148 Ų148144 Ų14469%0.69278%0.784SS**  trans65.3131.8130.5-81.5173.5-45.700124.1
608L27.6Very low28.5Very low139 Ų139144.3 Ų144.373%0.72878%0.783SS**  trans73.8151.1142.6-59.6165.6000117.6
609N29.2Very low28.4Very low139 Ų139144.7 Ų144.774%0.74378%0.78SS**  cis-145.8170.3-5.3-140.9-18.3000113.8
610R25.1Very low28.4Very low215 Ų215142 Ų14281%0.81177%0.774SS**  trans-73.9144.7172-64.5169.7172.5155.4-4.1112.1
611V30.3Very low28.2Very low124 Ų124142.8 Ų142.875%0.75278%0.782SS**  trans-132.6130138.3-179.20000108.3
612R26.2Very low28Very low220 Ų220142 Ų14283%0.8379%0.785SS**  trans-108.7136165.3-75.4178.4172.7171-4.6107.5
613H31.6Very low28.1Very low184 Ų184139 Ų13985%0.85278%0.784SS**  trans-120.3133152.1-74.5-75.8000108.3
614A25.5Very low28.2Very low95 Ų95141 Ų14179%0.78579%0.788SS**  trans-142.7126179.100000108.3
615T29.4Very low28.1Very low140 Ų140144.1 Ų144.186%0.85979%0.789SS**  trans-147154.5170.8210000107.8
616P30.7Very low28.3Very low116 Ų116142.8 Ų142.875%0.75379%0.785SS**PPolyproline II helixtrans-97.6163-138.435.9-37.9000115.4P618P616-P618 WeakPolarHBondContact O-CD 3.48Å
617S22.7Very low28Very low119 Ų119141.3 Ų141.383%0.83279%0.786SS**PPolyproline II helixtrans-66.6137.7164.4-40.80000111.7
618P31.8Very low28Very low122 Ų122139 Ų13979%0.79279%0.786SS**PPolyproline II helixtrans-103.3161.8138.834.5-30.6000111P616P616-P618 WeakPolarHBondContact O-CD 3.48Å
619S25.9Very low28.1Very low108 Ų108137.9 Ų137.976%0.75579%0.79SS**  trans-90.2-177.4-176.154.10000113.7
620C26.3Very low28Very low113 Ų113135.3 Ų135.376%0.76479%0.788SS**  trans87.795.9163.2-56.30000118.2
621S28.6Very low28.2Very low115 Ų115130.5 Ų130.580%0.80478%0.782SS**  46.7115.5126.4-51.60000120.3
622P28.1Very low28.2Very low135 Ų135132.6 Ų132.688%0.87778%0.784SS**  trans-81.3152.9174.634.8-35.2000112.9
623S27.4Very low28.3Very low115 Ų115126.7 Ų126.780%0.80478%0.776SS**  trans-145.1135.5161.4-168.10000112.5
624M29.5Very low28.1Very low156 Ų156124.1 Ų124.177%0.76877%0.769SS**  trans-7.8124.7163.6-55.6-100.470.400118
625R29.3Very low28.3Very low219 Ų219129.4 Ų129.483%0.82677%0.77SS**  -167.5164.594.6-106.2179.2176.2-177-0.8114.1
626S28.5Very low28.2Very low97 Ų97127.6 Ų127.668%0.67876%0.763SS**  trans-89171.6-172.9-42.20000113.6
627N27.2Very low28Very low149 Ų149126.6 Ų126.680%0.79776%0.758SS**  trans118.7133.4138.2-75.31.7000118.4
628S27.8Very low28.3Very low99 Ų99127 Ų12769%0.69275%0.75SS**  trans82.3114.4145.6-61.10000119.7
629S28.1Very low28.3Very low115 Ų115128.2 Ų128.280%0.80475%0.745SS**  71.9146127.563.30000120.5
630A27.4Very low28.4Very low86 Ų86131.1 Ų131.171%0.71175%0.747SS**  cis-173.1-140.6-20.400000105.7
631V29.1Very low28.5Very low113 Ų113128.8 Ų128.869%0.68574%0.742SS**  trans78.290.1150.9-177.50000116.3
632E30.2Very low28.6Very low168 Ų168133.3 Ų133.379%0.78574%0.743SS**  91135.5123.6-72.8174.3-174.700123.5
633S29.5Very low28.4Very low97 Ų97135.6 Ų135.668%0.67874%0.74SS**  trans78.1146.4138.876.30000119.3
634N27.8Very low28.4Very low130 Ų130135.6 Ų135.670%0.69574%0.735SS**  cis-161.2177.4-20.4-107.1-20.1000108.7
635Y28.6Very low28.2Very low206 Ų206133.2 Ų133.281%0.80873%0.734SS**  trans71.9122.7174.9-52.1-81.8000113.6
636S27.5Very low28.3Very low102 Ų102130.5 Ų130.571%0.71373%0.732SS**  cis68.4143.735.697.90000113.4
637C27.2Very low28.3Very low95 Ų95133.1 Ų133.164%0.64273%0.733SS**  cis-150.8-178.2-0.2-1540000109.5
638D29.4Very low28.6Very low127 Ų127134.9 Ų134.968%0.67974%0.736SS**  trans69.5153.7155.5-59.6-34.3000117.7
639Q30.1Very low28.6Very low147 Ų147136 Ų13669%0.68774%0.735SS**  cis-150.7159.12.8-127.6145.434.500111.6
640E29.7Very low28.5Very low170 Ų170136.2 Ų136.279%0.79474%0.735SS**  trans65.2118.6148.7-74.6161.7-153.400124.3
641G28.3Very low28.5Very low64 Ų64135.5 Ų135.566%0.6674%0.736SS**  trans85.6139.1134.900000118.9
642Y29.1Very low28.3Very low210 Ų210136.4 Ų136.482%0.82474%0.741SS**  cis-144.3138.4-8.4-89.1-95.9000106.8
643F25.2Very low28.3Very low183 Ų183134.6 Ų134.680%0.80374%0.744SS**  44132.596.5-73.4-73.2000115.2
644T28Very low28.1Very low114 Ų114137.6 Ų137.670%0.69975%0.749SS**  cis-146.6151.29.529.70000111.4
645S25.4Very low28Very low107 Ų107136.6 Ų136.675%0.74875%0.748SS**  trans-89154145.357.60000110
646M30.3Very low27.8Very low161 Ų161138.1 Ų138.179%0.79375%0.752SS**  trans-137.6129.9175.7-86.3-77.8-77.700109.6
647H29.3Very low27.8Very low152 Ų152140 Ų14070%0.70476%0.759SS**  trans-94.4147.8176.2-82.3-113.4000111.5D649H647-D649 HydrophobicContact CB-CB 4.44Å
648H31.8Very low27.6Very low186 Ų186140.2 Ų140.286%0.86176%0.762SS**  trans-123.3105.6138.7-69.6-46.3000105.1
649D27.9Very low27.7Very low124 Ų124141.5 Ų141.566%0.66377%0.768SS**  cis82134.935.4-159.110.3000113.6H647H647-D649 HydrophobicContact CB-CB 4.44Å
650C26.4Very low27.6Very low119 Ų119144.4 Ų144.480%0.80477%0.773SS**  trans56.9128.1179.3-65.60000117.4
651G27.3Very low27.5Very low70 Ų70142 Ų14272%0.72277%0.765SS**  cis177.9152.7-4.900000111.1
652V25.7Very low27.5Very low133 Ų133145.9 Ų145.981%0.80677%0.767SS**  trans-106.6116.2-178.7176.30000110.9M654V652-M654 PolarHBondContact O-N 3.49Å
653P29.9Very low27.6Very low130 Ų130142.3 Ų142.384%0.84476%0.757SS**  trans-77.6111.8167.9-9.226.4000109.8
654M25.1Very low28Very low160 Ų160140 Ų14079%0.78875%0.753SS**  trans-98.8137.2-174.3-143.1-176.473.500112.4V652V652-M654 PolarHBondContact O-N 3.49Å
655V25.6Very low28.2Very low109 Ų109138 Ų13866%0.66176%0.755SS**  trans65.9126162.9-159.10000118.1
656R24.7Very low28.8Very low237 Ų237138.1 Ų138.189%0.89475%0.754SS**  17174.1120.2-90.2174.7-172.8176.14.8111.6S658R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 3.26Å; R656-S658 VanDerWaalsContact O-N 3.1Å
657V26.6Very low29Very low143 Ų143140.8 Ų140.887%0.86776%0.755SS**  trans-79.285.8158.4-177.60000107.9
658S24.9Very low29.1Very low99 Ų99139.1 Ų139.169%0.69275%0.751SS**  trans-77.4114.7156.4170.80000107.1R656R656-S658 VanDerWaalsContact C-N 3.28Å; R656-S658 PolarHBondContact O-N 3.26Å; R656-S658 VanDerWaalsContact O-N 3.1Å
659N30.5Very low29.1Very low154 Ų154137.4 Ų137.482%0.82475%0.747SS**  trans-123.3105159.8-128.611000108.4
660R28.2Very low29.2Very low208 Ų208142.9 Ų142.979%0.78576%0.758SS**  trans-72145.6175.6-89.7178.9168.4167.8-5.5109.5
661N27.6Very low29.7Very low118 Ų118142.8 Ų142.863%0.63176%0.756SS**  trans65.7133.9136.2-70.128.8000121.2
662Q28.5Very low29.9Very low147 Ų147148.7 Ų148.769%0.68776%0.762SS**  trans74.5142.2137.4-65.4171.1-96.500117.4
663E31.1Very low30.3Very low134 Ų134149 Ų14963%0.62675%0.754SS**  cis-150.2153.93.1-127.7172.3118.800115.1
664N33.7Very low30.5Very low135 Ų135150.7 Ų150.772%0.72276%0.756SS**  trans47.6126.6152.1-56.6-26.3000122.4
665G32.5Very low30.8Very low71 Ų71148 Ų14873%0.73276%0.759SS**  trans-89.6-122.1158.200000111.3
666P37.4Very low31Very low111 Ų111145.7 Ų145.772%0.72176%0.758SS**  cis-141.2-166.48.431.2-5.3000115.4
667R34.2Very low31.5Very low216 Ų216146 Ų14682%0.81576%0.761SS**  trans81.7142.2160-54.2-166.8-173.2-1672118.4
668D31.5Very low31.6Very low118 Ų118142.2 Ų142.263%0.63175%0.751SS**  cis-163.9158.7-13.4-112.2-32.1000114.7
669I32.7Very low31.9Very low149 Ų149149.5 Ų149.576%0.76476%0.763SS**  trans59.8151.6144.2-66.7164000120.7
670R29.1Very low31.8Very low239 Ų239147.7 Ų147.790%0.90276%0.763SS**  -165.3173.3-56.2-112.1-168.8173.8-174.1-0.5109.5
671P36Very low32Very low117 Ų117146.2 Ų146.276%0.7677%0.77SS**  trans-121.3173.2-161.444.2-37.2000118.7
672K32.8Very low32.1Very low195 Ų195144.5 Ų144.585%0.84877%0.771SS**  trans-172.2144.6148.5-98.4-178.9176.7-166.20107.4
673E33.1Very low32Very low139 Ų139147.1 Ų147.165%0.6578%0.781SS**  cis77112.234.8-71.6-149.1125.200116.8R234R234-E673 IonicContact CZ-OE1 3.93Å; R234-E673 IonicContact NE-OE1 3.14Å; R234-E673 IonicContact NH2-OE1 2.77Å; R234-E673 PolarHBondContact NH2-OE1 3.47Å
674D34.2Very low32.1Very low165 Ų165150.2 Ų150.288%0.88280%0.795SS**  -170.3179.3126.3-103-41.1000114.4
675A32.1Very low31.7Very low103 Ų103149 Ų14985%0.85180%0.798SS**  trans-65.1175.4-163.300000118.7
676G30.3Very low31.7Very low62 Ų62152.2 Ų152.264%0.63981%0.807SS**  cis170.7-178.5-1.600000114.2
677Y33.5Very low31.4Very low242 Ų242156.4 Ų156.495%0.94981%0.814SS**  trans63146.8179.6-62.2-90.7000118
678G29.1Very low31.1Very low64 Ų64152 Ų15266%0.6681%0.813SS**  cis134.296.7-1900000116.6
679R32.6Very low31.2Very low253 Ų253155 Ų15596%0.95583%0.829SS**  trans-167.6153.7158.5-110.1169.1-162.9-140.71.7112.7
680S27.3Very low31Very low116 Ų116152.9 Ų152.981%0.81183%0.827SS**  trans-151.5138179.5-51.30000112.1
681L33Very low30.9Very low177 Ų177150.5 Ų150.593%0.92783%0.826SS**  trans-162.1167.1168.7-75.7-178.7000108.6
682A28.9Very low30.6Very low81 Ų81150.9 Ų150.967%0.66983%0.831SS**  -162.9147.2-5500000109.5
683F27.2Very low30.4Very low202 Ų202147 Ų14789%0.88683%0.829SS**  trans12.9133.5162.9-76.3-92.9000122.4
684Q32.6Very low30.5Very low199 Ų199146.8 Ų146.893%0.9384%0.837SS**  -158.1171.1116.3-112.417930.200113
685S26.2Very low30.5Very low111 Ų111144.8 Ų144.878%0.77683%0.833SS**  trans-130.2156.7-159.6590000114.6
686C31.2Very low30.5Very low137 Ų137150.9 Ų150.993%0.92684%0.835SS**  trans-153.9167.7159-131.90000112.5
687K31.1Very low30.4Very low199 Ų199152.1 Ų152.187%0.86584%0.84SS**  trans-104.3157.5-157.5-66.6177.7-178.8175.90115.3
688P29.6Very low30.5Very low123 Ų123146.7 Ų146.780%0.79983%0.832SS**  trans-84.8168.1174.336-36.8000113.9
689L31.9Very low30.5Very low182 Ų182155.3 Ų155.395%0.95385%0.845SS**  trans-127.6153.7171.3-89.8167.1000111.2
690S28.9Very low30.3Very low104 Ų104150.6 Ų150.673%0.72784%0.838SS**  trans-117.4152.7-160.453.70000115.9
691H27.8Very low30.6Very low190 Ų190154.5 Ų154.588%0.8884%0.843SS**  trans4.5138.5163.4-52.4-73.6000121.5
692S29.5Very low30.5Very low125 Ų125151.8 Ų151.887%0.87484%0.839SS**  trans-140160.1131.965.60000110.4
693S28.7Very low30.7Very low113 Ų113159.2 Ų159.279%0.7985%0.85SS**  trans-138.1141.6-172.9650000111.5
694T34.5Very low30.8Very low135 Ų135157 Ų15783%0.82885%0.847SS**  trans-139.4118.9178.738.20000111.3
695P33.7Very low31Very low122 Ų122152.2 Ų152.279%0.79283%0.833SS**  trans-81.3146.9170.333-32.8000111.1
696Y32.4Very low31.5Very low231 Ų231155.6 Ų155.691%0.90684%0.837SS**  trans-80.7118.6-178.4-126.1-95.6000111.4
697A29.9Very low31.4Very low89 Ų89158 Ų15874%0.73683%0.832SS**  trans-148.461.7-177.700000113.2
698T33.8Very low31.3Very low128 Ų128154 Ų15479%0.78583%0.827SS**  trans-165.1110162.110.40000111.8
699W29.7Very low31.3Very low245 Ų245155.1 Ų155.193%0.92882%0.822SS**  trans-157.664.5162-142.682.1000113.7
700L29.1Very low31.3Very low153 Ų153154.6 Ų154.680%0.80181%0.812SS**  trans-161.965.6168.5-117.3173000113.5
701Q32.8Very low31.4Very low198 Ų198158.7 Ų158.793%0.92582%0.822SS**  trans-176.7143.3163.5-101.4155.64800107.1
702S31.9Very low31.5Very low120 Ų120153.3 Ų153.384%0.83981%0.81SS**  cis-139.8-176.37.265.70000112.4
703R32.5Very low31.6Very low237 Ų237153.2 Ų153.289%0.89480%0.804SS**  trans-96.2130.3-165.1-74.2175.6173171.8-3.2114.9
704N30.1Very low31.7Very low157 Ų157154.4 Ų154.484%0.8481%0.806SS**  trans66.1177.1135.3-114.4-4.5000118.5
705P36.6Very low31.5Very low98 Ų98151.3 Ų151.364%0.63680%0.801SS**  trans-134.8167.7-13141.8-22.8000116.9
706Q35.4Very low31.4Very low181 Ų181157.3 Ų157.385%0.84681%0.808SS**  trans-165.4126148.3-113.8163.148.300116.8
707K29.1Very low31.6Very low189 Ų189155.8 Ų155.882%0.82281%0.806SS**  trans36.4147.5133.4-69.9-175.2175.7179.20124.1
708C30.2Very low32Very low113 Ų113157.3 Ų157.376%0.76481%0.808SS**  trans77.5158.8151.5-69.20000119.4
709Q29.7Very low32Very low147 Ų147155.5 Ų155.569%0.68780%0.801SS**  -168145.4-51-123.3-165.546.200109.9
710K30.3Very low32.2Very low172 Ų172151 Ų15175%0.74879%0.79SS**  trans41.9124.1153.8-63.6178.4-179.6175.10121
711M31.5Very low32.5Very low190 Ų190155.1 Ų155.194%0.93680%0.795SS**  161.1153.7126.7-88.7-164-68.100109.6
712A29.7Very low32.5Very low76 Ų76153.9 Ų153.963%0.62879%0.789SS**  cis-170.2-179.1-23.100000109.9
713T32.4Very low32.7Very low124 Ų124151.9 Ų151.976%0.76179%0.787SS**  trans84.3107.1147.7-510000121.1
714V30.2Very low32.7Very low137 Ų137147.9 Ų147.983%0.8378%0.784SS**  trans44.2136.5134.4-172.70000120.5
715G29.8Very low32.8Very low70 Ų70146.9 Ų146.972%0.72278%0.783SS**  cis153-169.6-2.700000114.3
716R33.2Very low32.6Very low248 Ų248145.3 Ų145.394%0.93679%0.785SS**  trans84.1111.1172.2-62.3-168.5173.7-147.2-1.8120.9
717K36.8Very low32.4Very low200 Ų200142.8 Ų142.887%0.8778%0.782SS**  trans-71.3177.3145.1-82.1-177.1177-177.40110.1
718P37.4Very low32.3Very low120 Ų120140.3 Ų140.378%0.77978%0.777SS**  cis-142.3-153.829.642.9-18.2000113.8
719S34Very low32.2Very low91 Ų91141.3 Ų141.364%0.63677%0.774SS**  cis-159144.65.5-140.70000115.6
720Q33Very low32Very low150 Ų150145 Ų14570%0.70178%0.782SS**  44.1121.2125.7-172.3-173.419.800122.6
721R36.4Very low31.8Very low240 Ų240142.1 Ų142.191%0.90678%0.781SS**  -163.3170.1120.3-109.2174.7-170.5-1390.3113.8
722H33.4Very low31.6Very low172 Ų172138.8 Ų138.880%0.79677%0.771SS**  trans-87.2161-159.4-58.2-85.2000116.5
723G34.3Very low31.5Very low77 Ų77141.8 Ų141.879%0.79478%0.781SS**  trans-170.5132.6155.500000110.1
724N32.6Very low31.2Very low154 Ų154144.4 Ų144.482%0.82478%0.782SS**  trans-157.2170.4-174.4-164.79.7000111.8
725T33.6Very low31.4Very low135 Ų135143 Ų14383%0.82878%0.776SS**  trans70.7145.5-174.375.80000114.1
726G31.7Very low31.3Very low66 Ų66150.2 Ų150.268%0.6878%0.781SS**  cis-157.2-172.6-500000109.4
727T31.1Very low31.2Very low128 Ų128144.3 Ų144.379%0.78577%0.773SS**  cis-167.9157.83.7-40000111.1
728I27.9Very low31Very low137 Ų137139.5 Ų139.570%0.70377%0.77SS**  trans74.787.5148.1-64.2164.4000119.2
729N26.5Very low30.5Very low133 Ų133137.2 Ų137.271%0.71177%0.769SS**  77.1135.5110.9-68-28.4000125.6
730R25.5Very low30.3Very low226 Ų226141.4 Ų141.485%0.85378%0.783SS**  trans93.9147.4135.3-83.5175.9-175.9-167.20.5119.3
731P27.4Very low30Very low110 Ų110141.7 Ų141.771%0.71479%0.785SS**  -141.6175.3-115.342.8-23.8000117.3
732V26Very low29.7Very low120 Ų120136.6 Ų136.673%0.72778%0.78SS**  trans27.5112.7144.1-177.90000118.3
733V27.5Very low29.4Very low139 Ų139133.5 Ų133.584%0.84277%0.768SS**  trans-136.6127.4135.7-178.20000108.8
734F27.3Very low29.2Very low179 Ų179137.8 Ų137.879%0.78577%0.772SS**  trans-107.6144.9165.5-90.5-81.8000109.4
735P33.7Very low28.9Very low108 Ų108136.9 Ų136.970%0.70177%0.767SS**  -111.4136.1127.734.1-30.1000109.2
736R27.9Very low28.8Very low221 Ų221140.9 Ų140.983%0.83477%0.767SS**  cis64.5129.845.8-67.9-163.2168.8-177.9-2.3112.9
737T31.5Very low28.6Very low125 Ų125146.3 Ų146.377%0.76778%0.775SS**  cis-163.1163.2-5.63.30000111.6
738A32.1Very low28.3Very low98 Ų98143.7 Ų143.781%0.8177%0.773SS**  trans72.8139.6155.400000118.2
739G27.5Very low28.4Very low73 Ų73145.2 Ų145.275%0.75378%0.782SS**  cis118.9133.7-19.300000116.3
740L30.4Very low28.3Very low179 Ų179144.7 Ų144.794%0.93779%0.788SS**  trans-156.2138.6149.4-113.4168.2000108.8
741Q26.3Very low28.5Very low155 Ų155138.5 Ų138.572%0.72479%0.786SS**  trans-133.5124.1-171.5176.8-175.943.800108.2I743Q741-I743 HydrophobicContact CG-CD1 4.23Å; Q741-I743 HydrophobicContact CG-CG1 4.04Å
742V29.4Very low28.3Very low133 Ų133136.8 Ų136.881%0.80678%0.781SS**  trans-119.199.2171.7-178.40000108.8
743I26.5Very low28.5Very low107 Ų107137.6 Ų137.655%0.54979%0.789SS.*  trans-83.8128.1170.1-65.7157.2000108Q741Q741-I743 HydrophobicContact CG-CD1 4.23Å; Q741-I743 HydrophobicContact CG-CG1 4.04Å
744L31.8Very low28.5Very low168 Ų168136.7 Ų136.788%0.8878%0.783SS**  trans-13499.5155.6-91.1177.3000110.9
745N26.3Very low28.4Very low134 Ų134132.9 Ų132.972%0.71778%0.778SS**  trans-68.5141.6162.1-73.5-58000110.1
746R30.7Very low28.2Very low219 Ų219137 Ų13783%0.82679%0.787SS**  -174.5120.1122.9-104.2166.6178.8178.31.5114.1
747Q27.1Very low28.4Very low181 Ų181131.7 Ų131.785%0.84678%0.784SS**  20.4119.1123.1-60.5161-33.200116.9
748G26Very low28.4Very low73 Ų73129.2 Ų129.275%0.75378%0.783SS**  trans-169.376.4177.200000117.4
749L28.3Very low28.1Very low169 Ų169134.7 Ų134.789%0.88578%0.784SS**  trans42.5108.4144.9-59.7174.8000120.7
750S25.4Very low28.2Very low121 Ų121139.9 Ų139.985%0.84679%0.786SS**  trans-45.7134.7142.5142.60000112.2
751A29.1Very low28Very low97 Ų97135.9 Ų135.980%0.80277%0.773SS**  trans-145.289.9164.700000111.7
752A23.3Very low28.1Very low74 Ų74134.4 Ų134.461%0.61278%0.779SS**  trans-79.5140.5155.700000108.7V754A752-V754 PolarHBondContact O-N 2.9Å
753P31.5Very low28.1Very low137 Ų137131.7 Ų131.789%0.8978%0.778SS**  trans-70.992.5172.529.1-32.9000109.8
754V26.3Very low28.2Very low120 Ų120134.6 Ų134.673%0.72779%0.788SS**  trans-70.6140.8173.4169.40000110.1A752A752-V754 PolarHBondContact O-N 2.9Å
755C25.2Very low28.2Very low99 Ų99133.2 Ų133.267%0.66978%0.782SS**  trans2.5124.7164.3-54.10000118.8
756H30.3Very low28.5Very low194 Ų194132.2 Ų132.290%0.89878%0.78SS**  -117.1101.4128.4-90.1-69.5000110.2G758H756-G758 PolarHBondContact O-N 2.87Å
757S31Very low28.5Very low109 Ų109126.7 Ų126.776%0.76277%0.771SS**  trans-67.2113153.936.90000107.7
758G31.2Very low28.7Very low73 Ų73123.9 Ų123.975%0.75376%0.762SS**  trans-122.479.1-169.800000111.7H756H756-G758 PolarHBondContact O-N 2.87Å
759Y27.1Very low29Very low214 Ų214126.7 Ų126.784%0.83976%0.76SS**  trans-47154.7177.7-106-94000115.8
760K28.6Very low29.9Very low181 Ų181127.2 Ų127.279%0.78776%0.758SS**  trans80.5114.6166.4-61.3163.4-175.7-179.20114.8
761S27.3Very low30.8Very low95 Ų95125.7 Ų125.766%0.66475%0.745SS**  cis83.4157.440.584.30000114.5
762C26.8Very low30.8Very low125 Ų125127.4 Ų127.485%0.84575%0.746SS**  trans66.996.9171.3-53.90000114.8
763G29.8Very low31.4Very low76 Ų76132.3 Ų132.378%0.78475%0.753SS**  trans-162.857.8175.800000110.4N765G763-N765 PolarHBondContact O-N 3.49Å
764H29.1Very low31.5Very low167 Ų167131.3 Ų131.377%0.77374%0.744SS**  trans-59127.4176.5-83.9-83.9000110.7
765N31.4Very low31.8Very low139 Ų139131.3 Ų131.374%0.74375%0.747SS**  -179.3120.2123.9-81.3-18.5000105.6G763G763-N765 PolarHBondContact O-N 3.49Å
766V32.6Very low32.3Very low113 Ų113133.4 Ų133.469%0.68575%0.75SS**  cis4877.727.4-1690000111
767T30.3Very low32.5Very low104 Ų104130.2 Ų130.264%0.63874%0.744SS**  trans-162.8110.9135.913.10000111.3
768N31.8Very low32.7Very low121 Ų121129.9 Ų129.965%0.64774%0.739SS**  65.2114.7123.8-57.67.6000121.7
769N33.6Very low32.8Very low133 Ų133132.1 Ų132.171%0.71174%0.738SS**  73.5118.2119.5-53.8-1.4000120.4
770E45.4Very low33.1Very low179 Ų179126.9 Ų126.984%0.83673%0.733SS**  40.5169.4101.7-91.8-158.6143.900121.8
771P44.7Very low33.5Very low90 Ų90124.1 Ų124.158%0.58473%0.732SS**  cis-137.5175.1-20.534.6-16.6000114.5
772T30.2Very low34.1Very low133 Ų133125.9 Ų125.982%0.81674%0.738SS**  trans-155111.8155.518.40000109.6
773K36Very low34.5Very low177 Ų177124.1 Ų124.177%0.7773%0.732SS**  73.9138.668.3-74.2-175.1173.1-177.20113.4
774V33.1Very low34.9Very low115 Ų115126.7 Ų126.770%0.69774%0.735SS**  cis-144.7157.9-1.2-119.60000108.4
775P32.5Very low34.9Very low121 Ų121123.1 Ų123.179%0.78673%0.729SS**SBend-112161.467.8-2.524.4000112.8
776I36.3Very low35Very low143 Ų143125 Ų12573%0.73374%0.735SS**SBendcis-151.7149.2-0.2-128.5157.2000108
777V34.5Very low34.8Very low126 Ų126127.7 Ų127.776%0.76474%0.741SS**  trans64.4133167.3162.80000118.5
778P35.4Very low34.9Very low102 Ų102130.7 Ų130.766%0.66275%0.751SS**  cis-134.6-170.5-24.439.7-21000115.1
779T31.6Very low34.8Very low120 Ų120128.1 Ų128.174%0.73675%0.753SS**  trans70.2110.5159.548.30000122.4
780S34.7Very low34.4Very low104 Ų104131.4 Ų131.473%0.72776%0.761SS**  trans59.6145.7132.263.70000122.2
781T36.8Very low33.6Very low124 Ų124132.8 Ų132.876%0.76176%0.764SS**  cis-167.7150.7-10.114.80000110.8
782V38.6Very low32.8Very low131 Ų131133.1 Ų133.179%0.79477%0.767SS**  trans59.4121154.3177.80000117.4
783A36.3Very low32.8Very low88 Ų88135.5 Ų135.573%0.72777%0.768SS**  cis75.9160.144.900000114.6
784P38.8Very low32.5Very low131 Ų131132.5 Ų132.585%0.85177%0.767SS**  cis-133.5-155.7-144.7-26000114.5
785S28.7Very low32.3Very low91 Ų91131.5 Ų131.564%0.63677%0.771SS**  trans-110.8161.7-171.259.10000116.6
786M34Very low32.2Very low178 Ų178131.1 Ų131.188%0.87777%0.768SS**  trans-139.1133.1146.9-67.1-172.2175.900107.7
787Q27.7Very low32Very low171 Ų171133.9 Ų133.980%0.79978%0.775SS**  cis73.2157.320.9-74.8-156.113.400117.6
788I31.8Very low31.5Very low166 Ų166136.1 Ų136.185%0.85178%0.782SS**  trans81.8131.9-175.2-50.1160.1000113.1
789G30.5Very low31.3Very low67 Ų67139.3 Ų139.369%0.69179%0.793SS**  cis-166.1167.2-1.100000114.5
790F24.7Very low31.1Very low202 Ų202139 Ų13989%0.88680%0.795SS**  trans-85.2157.7-175-89.2-108.4000114.3
791K29.5Very low30.7Very low208 Ų208139 Ų13990%0.90480%0.802SS**  trans-155.2108.3146.4-126.1174.2-174.9176.80113.6
792P26.8Very low30.3Very low97 Ų97136.8 Ų136.863%0.6380%0.804SS**  trans-106.4-174.8172.139.2-32.1000113
793Q30.2Very low29.8Very low183 Ų183136.6 Ų136.686%0.85580%0.803SS**  trans77.3160.9176.1-57.3-165.89.500117.4
794P29.6Very low29.5Very low114 Ų114144 Ų14474%0.7481%0.813SS**  cis-121.4163.3-10.520.81.2000114.5
795A29.7Very low29Very low95 Ų95140.8 Ų140.879%0.78580%0.804SS**  trans-99.7155.4156.400000109.5
796P30Very low29.3Very low112 Ų112141.4 Ų141.473%0.72781%0.806SS**  trans-150.2165.2133.937.5-21.4000117.3
797K32.1Very low29.1Very low202 Ų202141.1 Ų141.188%0.87880%0.8SS**  trans76.3109.6149.7-76.1161.2-176.5-179.70120.2
798L24.1Very low29.1Very low172 Ų172141.8 Ų141.890%0.90180%0.801SS**  trans-83.1136.8158.5-65.5159.7000110.5
799L31.1Very low28.7Very low170 Ų170138 Ų13889%0.8979%0.794SS**  trans-145.5116.5151.2-67.7176.6000104.8
800S27.3Very low28.4Very low112 Ų112141.6 Ų141.678%0.78380%0.802SS**  cis93.7113.540.1-167.20000113.1
801A26.4Very low28.5Very low106 Ų106138.7 Ų138.788%0.87680%0.801SS**  trans59.1152.5166.800000119.1
802G28.7Very low28.3Very low77 Ų77135.5 Ų135.579%0.79479%0.794SS**  trans151.347.3179.200000116.1
803T28.6Very low28.6Very low126 Ų126135 Ų13577%0.77379%0.791SS**  trans-64.5139.1177.346.30000114.1
804Y29.6Very low28.4Very low243 Ų243135 Ų13595%0.95379%0.79SS**  trans-159.7140.8143.4-97.2-68000112.4
805G28.3Very low28.3Very low64 Ų64133.3 Ų133.366%0.6679%0.785SS**  trans-133.3-136.1167.900000108.6
806P34.8Very low28.3Very low105 Ų105140.7 Ų140.768%0.68279%0.793SS**  cis-149.5-169.1-10.143.5-23.4000116
807K29.2Very low28.2Very low172 Ų172140.6 Ų140.675%0.74880%0.795SS**  trans70156.5160.9-56.9164.9-172.9178.30117.2
808F27.5Very low28Very low185 Ų185134.1 Ų134.181%0.81179%0.786SS**  cis-136.3173.34.3-66.8-93.2000109.5
809A23.7Very low28.2Very low86 Ų86133.4 Ų133.471%0.71178%0.783SS**  cis103145.65.100000118.7
810V25.3Very low27.9Very low142 Ų142131.7 Ų131.786%0.86178%0.779SS**  trans80.5139.7169.7-178.70000117.6
811V26.7Very low27.9Very low142 Ų142132.6 Ų132.686%0.86178%0.78SS**  cis-148.7-106-2866.80000115.8
812N25Very low28Very low140 Ų140135.2 Ų135.275%0.74978%0.778SS**  trans-156.3-156.7-164.9-150.915.3000113.6
813P33.7Very low28Very low87 Ų87135.4 Ų135.457%0.56577%0.772SS**  -131.9-160.5-122.946.1-25.2000118
814H25.4Very low28.2Very low184 Ų184135.6 Ų135.685%0.85278%0.776SS**  trans76.4128.2168.4-72.8-69.2000120.8
815A28Very low28.2Very low77 Ų77127.3 Ų127.364%0.63676%0.764SS**  172.2136.8121.400000114.6
816W28.8Very low28.3Very low250 Ų250131.6 Ų131.695%0.94778%0.777SS**  trans56.9167145.4-56.4-22.3000122.7
817S28.1Very low28.1Very low110 Ų110131 Ų13177%0.76978%0.781SS**  -176.5144.4-56.255.10000112.8
818G27.3Very low27.9Very low66 Ų66128.1 Ų128.168%0.6878%0.783SS**  trans110.7145.6139.400000121
819N29.8Very low28.3Very low158 Ų158125 Ų12585%0.84578%0.781SS**  trans70.6126158.8-53.9-14.3000118.6
820V25Very low28.5Very low134 Ų134125.1 Ų125.181%0.81278%0.782SS**  cis106.1155.326.7170.60000111.9
821V27.1Very low29Very low130 Ų130123.3 Ų123.379%0.78877%0.773SS**  trans91.9130.2-176.31800000113.8
822L27.6Very low29Very low161 Ų161123.4 Ų123.484%0.84377%0.766SS**  cis-156.1168.7-16.5-111.4177.6000109.7
823A29.7Very low29.3Very low81 Ų81123.2 Ų123.267%0.66977%0.765SS**  trans-128.4166.8164.700000109.5
824P32.1Very low29.3Very low131 Ų131125.9 Ų125.985%0.85177%0.774SS**  -159170.2100.640.5-21.7000118.5
825G28.9Very low29.4Very low69 Ų69125.2 Ų125.271%0.71177%0.771SS**  trans91.5144.5157.300000116.3
826V31.2Very low29.6Very low153 Ų153128.4 Ų128.493%0.92778%0.783SS**  cis-162.9163.4-2.6-1180000107.6
827A30.5Very low29.4Very low93 Ų93126.9 Ų126.977%0.76978%0.778SS**  cis-150.3-150.6200000110.9
828S25.7Very low29.8Very low112 Ų112126.2 Ų126.278%0.78377%0.771SS**  trans-163-173.8178.6-137.70000108.5
829P34.9Very low29.8Very low118 Ų118131 Ų13177%0.76678%0.781SS**  cis-133.8-157.1-7.939.3-17.7000113.8
830A28.3Very low29.8Very low89 Ų89127 Ų12774%0.73677%0.769SS**  trans-93.6-149.217500000111.2
831P35.2Very low30.2Very low104 Ų104127.8 Ų127.868%0.67577%0.769SS**  cis-139.2-156.3-3.735-9.1000115.1
832M27.7Very low30.2Very low145 Ų145125.6 Ų125.671%0.71476%0.764SS**  trans76.3152.6168.7-43-39.3-90.800115.8
833D30.4Very low30.5Very low135 Ų135128 Ų12872%0.72277%0.768SS**  cis-154.7-167.1-16.8-95.5-17.2000107
834D32.8Very low30.6Very low143 Ų143129.8 Ų129.877%0.76577%0.773SS**  cis-156.8-175.416.1-168.16.8000110.7
835H28.8Very low30.7Very low170 Ų170130.8 Ų130.879%0.78777%0.77SS**  trans-92.3161.7-178.9-61.5-89.2000115.6
836V30.8Very low31.1Very low144 Ų144135 Ų13587%0.87377%0.771SS**  165.2148.7124.7157.70000113
837Y25.7Very low31.1Very low218 Ų218134.8 Ų134.886%0.85576%0.764SS**  trans-105.7-156.4-172.9-99.5-63.2000111.1
838P36.4Very low31.2Very low96 Ų96134 Ų13462%0.62377%0.765SS**  -134.4-159.6-55.237-17.5000113.8
839L27.8Very low31.4Very low168 Ų168132.9 Ų132.988%0.8876%0.763SS**  trans72.5153.9157.4-66.3163.7000118.1
840A29.8Very low31.3Very low73 Ų73134 Ų13460%0.60377%0.767SS**  cis-161.7-179-17.600000107.3
841N32.2Very low31.4Very low151 Ų151134.4 Ų134.481%0.80777%0.765SS**  cis-145.6167.117.2-78.9-79.5000108.2
842A28.4Very low31.1Very low84 Ų84137 Ų13769%0.69477%0.766SS**  cis90101.32400000117.3
843K32.6Very low31.4Very low210 Ų210138.8 Ų138.891%0.91377%0.773SS**  trans179.3125.6146.9-106.7174.5-176.7-177.70114.8
844P33.3Very low31.4Very low120 Ų120138.3 Ų138.378%0.77977%0.77SS**  trans-119.9172.7165.540.6-30.3000113.7
845I33.7Very low31.5Very low152 Ų152140.2 Ų140.278%0.77977%0.774SS**  trans-173.8118.7166.4-104.1149.3000106.8
846E36.4Very low31.6Very low158 Ų158136.5 Ų136.574%0.73877%0.767SS**  67.2148.888.7-71.3-149.2106.300115.7
847N31.7Very low31.5Very low148 Ų148134.5 Ų134.579%0.79176%0.758SS**  cis-170.8162.7-27.8-115.7-30.9000107.1
848G32.4Very low31.8Very low76 Ų76131.4 Ų131.478%0.78476%0.756SS**  trans145.6152.2164.900000118.3
849A30.4Very low31.4Very low88 Ų88132.1 Ų132.173%0.72776%0.762SS**  trans-155.2-179.7-140.200000116.1
850T31.8Very low31.5Very low141 Ų141135.9 Ų135.987%0.86576%0.764SS**  trans73.5157.7170.177.90000115.9
851S32.1Very low31.5Very low98 Ų98138.5 Ų138.569%0.68578%0.776SS**  cis-151.5163.33.155.60000112.9
852F28.9Very low31.5Very low160 Ų160136.2 Ų136.270%0.70278%0.777SS**  trans11.4151.8146.7-72.2-88.8000121.8
853E32.8Very low31.5Very low182 Ų182136.6 Ų136.685%0.8578%0.78SS**  -159.6178.560.7-161.8162.1-143.700115.7
854N30.3Very low31.1Very low125 Ų125133 Ų13367%0.66878%0.78SS**  trans-110.7153.9-173-66.4-70.6000114.5
855Q35.3Very low31Very low183 Ų183133 Ų13386%0.85578%0.784SS**  trans175.3164.3140.7-98.715790.200110.8
856S31.7Very low30.8Very low91 Ų91133.7 Ų133.764%0.63679%0.788SS**  -170.7143.2-64.349.90000110.2
857C28.3Very low30.9Very low102 Ų102131.3 Ų131.369%0.68979%0.786SS**  trans23.1138159.162.60000121.3
858L31.7Very low31Very low153 Ų153130.3 Ų130.380%0.80179%0.787SS**  -168.5138.166.1-76.2162000108.2
859C27.8Very low30.9Very low111 Ų111137.2 Ų137.275%0.7579%0.79SS**  7484.561.8-67.10000117.5
860R29Very low30.8Very low247 Ų247139.8 Ų139.893%0.93279%0.791SS**  trans-174.6138.7131.8-113.1177.4175.5173-1114.7
861P30.1Very low30.7Very low129 Ų129144.2 Ų144.284%0.83879%0.792SS**  trans-118.3150.4169.539.1-29.3000114.4
862A31.9Very low30.5Very low102 Ų102150.7 Ų150.784%0.84380%0.802SS**  trans-168.2159.1162.600000107.7
863A28.4Very low30.3Very low92 Ų92151 Ų15176%0.7681%0.807SS**  cis-179.4135.1-2600000104.9
864C24.7Very low30Very low134 Ų134149.4 Ų149.491%0.90581%0.809SS**  trans11121.9167.5-58.50000121.7
865S31.2Very low29.7Very low122 Ų122148.3 Ų148.385%0.85381%0.807SS**  trans-156.5148.713350.60000112.6
866L29.5Very low29.2Very low165 Ų165144.5 Ų144.586%0.86481%0.807SS**  trans-157.8163.3179.2-86174.2000107.5
867P39Very low28.9Very low109 Ų109147.8 Ų147.871%0.70882%0.817SS**  -115.7-160.6-54.933.8-15.8000109.3
868P33.3Very low28.6Very low126 Ų126147.1 Ų147.182%0.81882%0.818SS**  -150.6178.497.937.7-18.9000116.3
869R29.8Very low28.4Very low222 Ų222146.1 Ų146.184%0.83882%0.821SS**  trans-72.9147-177.5-59.7165.8163.4153-9.5114.1
870N28.9Very low28.2Very low141 Ų141146.1 Ų146.175%0.75482%0.823SS**  153.8124.3108.6-83.6-48.8000114.3
871R30.7Very low28.1Very low235 Ų235139 Ų13989%0.88782%0.816SS**  170.1119.5118.6-92.6166.2-176.3-1691.7115
872R28.4Very low28Very low233 Ų233137.3 Ų137.388%0.87981%0.814SS**  trans46.9107.4139.2-63.7-176.9174.3175.8-3122
873M23.4Very low27.7Very low168 Ų168142.1 Ų142.183%0.82882%0.819SS**  34.9125.4121.9-7517614600121.5
874V26.1Very low27.7Very low147 Ų147142.1 Ų142.189%0.89181%0.813SS**  -131.6146.4118.8179.30000107.6
875V24.2Very low27.8Very low102 Ų102143.2 Ų143.262%0.61881%0.808SS**  trans-125.9129.8176.2174.90000109.3L877V875-L877 HydrophobicContact CG1-CG 4.45Å
876A24.6Very low27.7Very low104 Ų104143.4 Ų143.486%0.8680%0.8SS**  trans-94.2139165.700000109.8
877L25.1Very low27.6Very low159 Ų159143.8 Ų143.883%0.83280%0.797SS**  trans-116.4119.1-167.9-93.1160.8000112.9V875V875-L877 HydrophobicContact CG1-CG 4.45Å
878A23.4Very low27.1Very low88 Ų88147.5 Ų147.573%0.72780%0.798SS**  trans60.8179.6157.100000115.4
879P27.7Very low26.8Very low133 Ų133150.2 Ų150.286%0.86480%0.8SS**  cis-100.6-177.935.138.9-37000115.2
880S23.5Very low26.9Very low111 Ų111146.5 Ų146.578%0.77680%0.796SS**  trans-129.4156.2177.8-176.50000111.1
881A25.4Very low27.3Very low97 Ų97148.4 Ų148.480%0.80280%0.8SS**  trans51.2112.5161.100000119.1
882A28.1Very low27.6Very low94 Ų94143.3 Ų143.378%0.77780%0.798SS**  trans-133.2117.1151.100000109.5
883Q25.9Very low27.8Very low203 Ų203135.9 Ų135.995%0.94979%0.794SS**  trans-83.6120.9158.4-70.3174.1-31.600106.9
884S28.5Very low28.2Very low92 Ų92133.6 Ų133.664%0.64379%0.794SS**  trans-126.4101.2173.244.70000111N886S884-N886 PolarHBondContact O-N 3.39Å
885I26.8Very low28.8Very low156 Ų156133.7 Ų133.780%0.879%0.788SS**  trans-68.8119.7158.3-62.9164.7000106.3
886N29.9Very low29.4Very low127 Ų127135.7 Ų135.768%0.67979%0.791SS**  trans-12594.3171.8-87.8-16.5000110S884S884-N886 PolarHBondContact O-N 3.39Å
887H26.8Very low30Very low173 Ų173141 Ų14180%0.80179%0.789SS**  trans-70.6130.9149.7-85.1-95.1000108
888Y28.8Very low30.6Very low186 Ų186139.4 Ų139.473%0.72979%0.788SS**  trans-145.895.6163.4-100.7-81.8000110.4
889E27Very low31Very low184 Ų184139.6 Ų139.686%0.8679%0.79SS**  trans-79146.4138.2-65.3176.4113.100107.4
890N31.9Very low31.5Very low143 Ų143144 Ų14477%0.76579%0.789SS**  trans-174.2143147.6-99.9-47.9000111.6
891H36.1Very low32Very low181 Ų181147.1 Ų147.184%0.83879%0.791SS**  trans-87.9173.1162.4-63.4-82.5000109.9
892P38.9Very low32.5Very low129 Ų129148.3 Ų148.384%0.83879%0.791SS**  -150.5164.48937.9-20.4000117.3
893G32.3Very low32.9Very low77 Ų77149.8 Ų149.879%0.79479%0.79SS**  trans86.5150.7131.700000119.4
894S31.9Very low33.4Very low120 Ų120149.6 Ų149.684%0.83979%0.786SS**  cis-163.3-178.4-8.5-1680000110.8
895I37.9Very low33.6Very low149 Ų149150.4 Ų150.476%0.76479%0.792SS**  trans108.789.1163.1-54.9170.6000118.1
896E36.8Very low34.2Very low144 Ų144148.3 Ų148.367%0.67379%0.788SS**  53.3108.6128-55.8-145.6100.400124.8
897R36.7Very low34.4Very low215 Ų215152.2 Ų152.281%0.81179%0.793SS**  54.4160.6108.4-71173.5170.6176.6-5.9122.2
898P37.8Very low34.8Very low125 Ų125151 Ų15181%0.81279%0.788SS**  cis-134.2175.8-27.636.3-17.7000115
899A33Very low35.2Very low93 Ų93150.9 Ų150.977%0.76979%0.794SS**  trans-86.4167.7-172.500000116.9
900R36.6Very low35.7Very low226 Ų226150.8 Ų150.885%0.85379%0.791SS**  -171.1128.5125.1-104.4169.6-170.8-1602.6116.7
901Q34.5Very low35.6Very low176 Ų176149.9 Ų149.982%0.82279%0.79SS**  trans61.6137.1147-69.5178.7-35.200122.8
902P36.3Very low35.5Very low122 Ų122147 Ų14779%0.79279%0.785SS**  trans-109.3149.4175.739.6-32000114.8
903V35.6Very low35.2Very low124 Ų124148.8 Ų148.875%0.75278%0.783SS**  trans-147.9115.7173.9-176.80000113.2
904K38Very low35.2Very low199 Ų199154.3 Ų154.387%0.86579%0.79SS**  trans59.3138.8151.6-62172.9-175.5177.80122.6
905S33Very low35.1Very low110 Ų110153.9 Ų153.977%0.76979%0.787SS**  trans-86.9-168.8158.5580000110.3
906P37.7Very low35Very low111 Ų111154 Ų15472%0.72179%0.789SS**  cis-142.1-148.89.443.9-21.4000114.9
907R34.9Very low34.8Very low209 Ų209151.5 Ų151.579%0.78979%0.788SS**  trans89.9121.7176-59.8-153.2136.9139.60115.6
908E35.1Very low34.5Very low149 Ų149147.5 Ų147.570%0.69679%0.787SS**  cis91.8102.948.5-75.6175.8137.400112.1
909E38Very low34.3Very low183 Ų183148.2 Ų148.286%0.85578%0.784SS**  174.9113.7119.5-92.1-167.6132.300115.7
910K36.1Very low34.2Very low182 Ų182149.7 Ų149.779%0.79178%0.783SS**  43.4126.7120.6-98.4-166.1170.1-177.20124.4
911V30.8Very low33.9Very low123 Ų123142.9 Ų142.975%0.74578%0.775SS**  trans50.2144.4145.1-106.50000119
912T34.2Very low33.7Very low120 Ų120141.7 Ų141.774%0.73678%0.775SS**  cis-158.617441.4-38.90000112.2
913E32Very low33.5Very low168 Ų168143.7 Ų143.779%0.78578%0.778SS**  trans-67156.9177-56.2145.8117.700114.5
914M31.7Very low33.5Very low192 Ų192145.9 Ų145.995%0.94678%0.784SS**  -157.3146.9128.4-107.3169.4-163.100109.8
915S29.4Very low33.2Very low111 Ų111141.6 Ų141.678%0.77678%0.779SS**  trans-135.4127.3-176.7-560000110.3
916D35.8Very low33.4Very low153 Ų153146.1 Ų146.182%0.81879%0.785SS**  trans-148.8113.5165.5-86.9-44.2000106.6
917S33.5Very low33.2Very low91 Ų91145.7 Ų145.764%0.63679%0.785SS**  67.695.986.7830000111.9
918V30.9Very low33Very low130 Ų130144.7 Ų144.779%0.78879%0.789SS**  68.510891.81710000111.8
919D32.9Very low33Very low141 Ų141144.3 Ų144.375%0.75480%0.797SS**  -163-173.493.3-136.1-49.2000113.1
920T30.4Very low32.7Very low124 Ų124139.6 Ų139.676%0.76179%0.789SS**  trans-92.9168.4-149.941.30000117.7
921A30.8Very low32.7Very low83 Ų83135 Ų13569%0.68679%0.785SS**  trans95.6137.2144.300000120.7
922N30.9Very low33.1Very low151 Ų151135 Ų13581%0.80779%0.787SS**  trans62.7104.9162.9-57.9-40.1000118.6
923L32.8Very low33.2Very low164 Ų164135 Ų13586%0.85980%0.8SS**  -174.1153.4108.1-100.2165.6000113.9
924L35.6Very low34Very low169 Ų169130.3 Ų130.389%0.88580%0.797SS**  trans69.589.6162.3-63.1167.7000119.6
925S31.3Very low34.8Very low109 Ų109124.2 Ų124.276%0.76278%0.783SS**  trans-99.9138.9158.756.30000112.2
926K37.4Very low36.1Very low205 Ų205123 Ų12389%0.89177%0.768SS**  trans152.8139.4155.2-88.6158.1-175.71760110.1
927S32.6Very low37.8Very low103 Ų103121.5 Ų121.572%0.7276%0.756SS**  cis-153.4126.6-9.650.50000109.3
928E31.6Very low39.2Very low187 Ų187121.5 Ų121.587%0.87475%0.754SS**  trans-86.7118.5-174.1-174.2173.5-175.400111.3A930E928-A930 PolarHBondContact O-N 2.88Å
929V34.3Very low40.7Very low141 Ų141121.8 Ų121.886%0.85575%0.745SS**  trans-89.191.6172.4-179.10000108.3A931V929-A931 PolarHBondContact O-N 3.29Å; V929-A931 VanDerWaalsContact O-N 3.14Å
930A32.6Very low42.4Very low84 Ų84118.4 Ų118.469%0.69473%0.727SS**  trans-62.5112.4177.800000110.9E928E928-A930 PolarHBondContact O-N 2.88Å
931A35.1Very low44.1Very low86 Ų86117 Ų11771%0.71171%0.711SS**  trans-65.8144.4169.800000110.1V929 A933V929-A931 PolarHBondContact O-N 3.29Å; V929-A931 VanDerWaalsContact O-N 3.14Å; A931-A933 PolarHBondContact O-N 2.86Å
932P39.2Very low46.4Very low122 Ų122120.2 Ų120.279%0.79271%0.706SS**  trans-61.8127.2-172.223-33.6000112.2G934P932-G934 PolarHBondContact O-N 2.98Å
933A37.3Very low48.5Very low120 Ų120115.5 Ų115.599%0.99268%0.68SS**THydrogen-bonded Turntrans-72.467.7-175.700000113A931A931-A933 PolarHBondContact O-N 2.86Å
934G47.3Very low50.4Low71 Ų71112 Ų11273%0.73266%0.661SS**THydrogen-bonded Turntrans-157.713.6179.100000114.4P932P932-G934 PolarHBondContact O-N 2.98Å
935G49.4Very low52.1Low64 Ų64106.5 Ų106.566%0.6664%0.64SS**PPolyproline II helixtrans-73.2132.617100000110.9
936L56.8Low54.4Low85 Ų85106 Ų10645%0.44562%0.623SS.*PPolyproline II helixtrans-61.3145.2168.4-72.5165.3000110.1D940 Q941 M944L936-D940 HydrophobicContact CB-CB 4.05Å; L936-D940 HydrophobicContact CD2-CB 4.14Å; L936-Q941 HydrophobicContact CB-CG 3.88Å; L936-Q941 PolarHBondContact O-NE2 2.6Å; L936-M944 HydrophobicContact CD1-SD 3.45Å; L936-M944 WeakPolarHBondContact CD1-SD 3.45Å
937E71.8Confident56.2Low122 Ų122102.2 Ų102.257%0.5761%0.607SS**PPolyproline II helixtrans-55.8149.3173.5-83.4-62.3138.700111.2F939 D940 Q941E937-F939 PolarHBondContact O-N 3.28Å; E937-D940 WeakPolarHBondContact O-CA 3.35Å; E937-D940 PolarHBondContact O-N 3.44Å; E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 3.49Å
938P62.3Low58.4Low91 Ų91102.3 Ų102.359%0.59160%0.596SS**Hα-helixtrans-57.1-27.4179.7-26.236.6000113.5W942P938-W942 WeakPolarHBondContact O-CB 3.31Å; P938-W942 PolarHBondContact O-N 2.87Å
939F62.5Low60.7Low136 Ų13697.3 Ų97.360%0.59658%0.578SS**Hα-helixtrans-69.7-42.7172.4-177-112.8000112.6E937 W942 L943E937-F939 PolarHBondContact O-N 3.28Å; F939-W942 HydrophobicContact CD2-CE3 4.35Å; F939-W942 HydrophobicContact CE2-CE3 4.23Å; F939-W942 HydrophobicContact CE2-CZ3 4.24Å; F939-W942 PolarHBondContact O-N 3.29Å; F939-L943 HydrophobicContact CD1-CD1 3.88Å; F939-L943 HydrophobicContact CE1-CD1 3.39Å; F939-L943 HydrophobicContact CE2-CD1 4.34Å; F939-L943 HydrophobicContact CZ-CD1 3.65Å; F939-L943 WeakPolarHBondContact O-CB 3.47Å; F939-L943 PolarHBondContact O-N 2.86Å
940D69.5Low62.9Low70 Ų7095 Ų9537%0.37456%0.558SS.*Hα-helixtrans-68.4-38.1174.8-76.6-26.2000111.8L936 E937 W942 L943 M944L936-D940 HydrophobicContact CB-CB 4.05Å; L936-D940 HydrophobicContact CD2-CB 4.14Å; E937-D940 WeakPolarHBondContact O-CA 3.35Å; E937-D940 PolarHBondContact O-N 3.44Å; D940-W942 VanDerWaalsContact C-N 3.32Å; D940-W942 PolarHBondContact O-N 2.89Å; D940-L943 PolarHBondContact O-N 3.1Å; D940-M944 WeakPolarHBondContact O-CB 3.49Å; D940-M944 WeakPolarHBondContact O-CG 3.33Å; D940-M944 PolarHBondContact O-N 3.39Å
941Q65.2Low65.2Low95 Ų9594.9 Ų94.944%0.44454%0.543SS..Hα-helixtrans-60.7-42.6171.6-65.8-175.832.800111.2L936 E937 A945L936-Q941 HydrophobicContact CB-CG 3.88Å; L936-Q941 PolarHBondContact O-NE2 2.6Å; E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 3.49Å; Q941-A945 VanDerWaalsContact O-CB 3.24Å; Q941-A945 WeakPolarHBondContact O-CB 3.23Å; Q941-A945 PolarHBondContact O-N 2.9Å
942W78.2Confident67.4Low150 Ų15096.6 Ų96.657%0.56854%0.536SS*.Hα-helixtrans-66.6-40.7174.9178.186.2000112.5P938 F939 D940 A945 K946P938-W942 WeakPolarHBondContact O-CB 3.31Å; P938-W942 PolarHBondContact O-N 2.87Å; F939-W942 HydrophobicContact CD2-CE3 4.35Å; F939-W942 HydrophobicContact CE2-CE3 4.23Å; F939-W942 HydrophobicContact CE2-CZ3 4.24Å; F939-W942 PolarHBondContact O-N 3.29Å; D940-W942 VanDerWaalsContact C-N 3.32Å; D940-W942 PolarHBondContact O-N 2.89Å; W942-A945 PolarHBondContact O-N 3.46Å; W942-K946 HydrophobicContact CH2-CD 4.04Å; W942-K946 HydrophobicContact CZ2-CD 4.32Å; W942-K946 HydrophobicContact CZ3-CD 4.42Å; W942-K946 VanDerWaalsContact O-CB 3.31Å; W942-K946 WeakPolarHBondContact O-CB 3.23Å; W942-K946 PolarHBondContact O-N 3.11Å
943L75.2Confident69.3Low52 Ų5293.4 Ų93.427%0.27251%0.511SS..Hα-helixtrans-63.9-45.1175.2-104.2158.4000112F939 D940 K946 F947F939-L943 HydrophobicContact CD1-CD1 3.88Å; F939-L943 HydrophobicContact CE1-CD1 3.39Å; F939-L943 HydrophobicContact CE2-CD1 4.34Å; F939-L943 HydrophobicContact CZ-CD1 3.65Å; F939-L943 WeakPolarHBondContact O-CB 3.47Å; F939-L943 PolarHBondContact O-N 2.86Å; D940-L943 PolarHBondContact O-N 3.1Å; L943-K946 PolarHBondContact O-N 3.06Å; L943-F947 HydrophobicContact CD2-CD2 4.2Å; L943-F947 HydrophobicContact CD2-CE2 3.81Å; L943-F947 VanDerWaalsContact O-CD2 3.29Å; L943-F947 WeakPolarHBondContact O-CD2 3.47Å; L943-F947 PolarHBondContact O-N 2.7Å
944M72.4Confident71.5Confident91 Ų9191 Ų9145%0.44848%0.484SS..Hα-helixtrans-64.2-42.7174.2-77.2-164.564.900111.8L936 D940 K946 F947 H948L936-M944 HydrophobicContact CD1-SD 3.45Å; L936-M944 WeakPolarHBondContact CD1-SD 3.45Å; D940-M944 WeakPolarHBondContact O-CB 3.49Å; D940-M944 WeakPolarHBondContact O-CG 3.33Å; D940-M944 PolarHBondContact O-N 3.39Å; M944-K946 VanDerWaalsContact C-N 3.33Å; M944-K946 PolarHBondContact O-N 2.92Å; M944-F947 PolarHBondContact O-N 3.03Å; M944-H948 WeakPolarHBondContact O-CB 3.46Å; M944-H948 PolarHBondContact O-N 3.1Å
945A72.8Confident73.1Confident53 Ų5394 Ų9444%0.43847%0.473SS..Hα-helixtrans-60.9-42.2174.400000111.6Q941 W942 H948 V949Q941-A945 VanDerWaalsContact O-CB 3.24Å; Q941-A945 WeakPolarHBondContact O-CB 3.23Å; Q941-A945 PolarHBondContact O-N 2.9Å; W942-A945 PolarHBondContact O-N 3.46Å; A945-H948 PolarHBondContact O-N 2.69Å; A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.97Å
946K79.1Confident74.8Confident97 Ų9795.5 Ų95.542%0.42247%0.466SS..Hα-helixtrans-63.7-47.4175.4-178.1176.6172179.80111.8W942 L943 M944 H948 V949 E950W942-K946 HydrophobicContact CH2-CD 4.04Å; W942-K946 HydrophobicContact CZ2-CD 4.32Å; W942-K946 HydrophobicContact CZ3-CD 4.42Å; W942-K946 VanDerWaalsContact O-CB 3.31Å; W942-K946 WeakPolarHBondContact O-CB 3.23Å; W942-K946 PolarHBondContact O-N 3.11Å; L943-K946 PolarHBondContact O-N 3.06Å; M944-K946 VanDerWaalsContact C-N 3.33Å; M944-K946 PolarHBondContact O-N 2.92Å; K946-H948 VanDerWaalsContact C-N 3.32Å; K946-H948 PolarHBondContact O-N 3.37Å; K946-V949 PolarHBondContact O-N 3.32Å; K946-E950 WeakPolarHBondContact CE-OE1 3.45Å; K946-E950 IonicContact NZ-OE1 3.99Å; K946-E950 PolarHBondContact O-N 2.65Å
947F76.1Confident76.3Confident127 Ų12797.3 Ų97.356%0.55747%0.47SS*.Hα-helixtrans-61.4-38.8175.1-86.4-62.3000112.3L943 M944 E950 E951L943-F947 HydrophobicContact CD2-CD2 4.2Å; L943-F947 HydrophobicContact CD2-CE2 3.81Å; L943-F947 VanDerWaalsContact O-CD2 3.29Å; L943-F947 WeakPolarHBondContact O-CD2 3.47Å; L943-F947 PolarHBondContact O-N 2.7Å; M944-F947 PolarHBondContact O-N 3.03Å; F947-E950 PolarHBondContact O-N 2.85Å; F947-E951 VanDerWaalsContact O-CB 3.32Å; F947-E951 WeakPolarHBondContact O-CB 3.45Å; F947-E951 PolarHBondContact O-N 3.4Å
948H77.5Confident76.8Confident105 Ų10597.9 Ų97.949%0.48647%0.473SS..Hα-helixtrans-66.3-38173.7-77.510.5000112.4M944 A945 K946 Q952M944-H948 WeakPolarHBondContact O-CB 3.46Å; M944-H948 PolarHBondContact O-N 3.1Å; A945-H948 PolarHBondContact O-N 2.69Å; K946-H948 VanDerWaalsContact C-N 3.32Å; K946-H948 PolarHBondContact O-N 3.37Å; H948-Q952 WeakPolarHBondContact O-CB 3.26Å; H948-Q952 WeakPolarHBondContact O-CG 3.44Å; H948-Q952 PolarHBondContact O-N 3.21Å
949V80.2Confident77.9Confident82 Ų8295.8 Ų95.850%0.49746%0.463SS..Hα-helixtrans-67.1-43.3174.1169.50000111.2A945 K946 Q952 E953A945-V949 WeakPolarHBondContact O-CG2 3.3Å; A945-V949 PolarHBondContact O-N 2.97Å; K946-V949 PolarHBondContact O-N 3.32Å; V949-Q952 PolarHBondContact O-N 3.47Å; V949-E953 WeakPolarHBondContact O-CB 3.48Å; V949-E953 PolarHBondContact O-N 3.34Å
950E80Confident79.1Confident93 Ų9395.4 Ų95.444%0.43546%0.461SS..Hα-helixtrans-63.6-40.4175.6-72.9-179.7-16700111.8K946 F947 E953 T954K946-E950 WeakPolarHBondContact CE-OE1 3.45Å; K946-E950 IonicContact NZ-OE1 3.99Å; K946-E950 PolarHBondContact O-N 2.65Å; F947-E950 PolarHBondContact O-N 2.85Å; E950-E953 WeakPolarHBondContact O-CB 3.3Å; E950-E953 PolarHBondContact O-N 2.96Å; E950-T954 PolarHBondContact O-N 2.83Å; E950-T954 PolarHBondContact O-OG1 2.95Å
951E82.4Confident79.8Confident80 Ų8095 Ų9537%0.37447%0.468SS..Hα-helixtrans-66.4-42.4175.2-171.2-176.5-178.100112.4F947 E953 T954 R955F947-E951 VanDerWaalsContact O-CB 3.32Å; F947-E951 WeakPolarHBondContact O-CB 3.45Å; F947-E951 PolarHBondContact O-N 3.4Å; E951-E953 VanDerWaalsContact C-N 3.34Å; E951-T954 WeakPolarHBondContact CA-OG1 3.43Å; E951-T954 PolarHBondContact O-N 3.33Å; E951-T954 PolarHBondContact O-OG1 3.44Å; E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.31Å; E951-R955 WeakPolarHBondContact O-CG 3.44Å; E951-R955 PolarHBondContact O-N 3.36Å; E951-R955 IonicContact OE1-CZ 3.7Å; E951-R955 VanDerWaalsContact OE1-CZ 3.23Å; E951-R955 IonicContact OE1-NE 2.83Å; E951-R955 PolarHBondContact OE1-NE 2.96Å; E951-R955 IonicContact OE1-NH2 3.93Å; E951-R955 PolarHBondContact OE1-NH2 3.45Å
952Q79.7Confident80.7Confident122 Ų12295.5 Ų95.557%0.5747%0.473SS*.Hα-helixtrans-65.6-37.6174.7-68.9-70-9.300111.2H948 V949 R955 L956H948-Q952 WeakPolarHBondContact O-CB 3.26Å; H948-Q952 WeakPolarHBondContact O-CG 3.44Å; H948-Q952 PolarHBondContact O-N 3.21Å; V949-Q952 PolarHBondContact O-N 3.47Å; Q952-R955 PolarHBondContact O-N 2.78Å; Q952-L956 VanDerWaalsContact O-CB 3.24Å; Q952-L956 WeakPolarHBondContact O-CB 3.39Å; Q952-L956 PolarHBondContact O-N 3.07Å
953E80.4Confident80.9Confident55 Ų5594.1 Ų94.126%0.25747%0.473SS..Hα-helixtrans-60.8-41.3170.8-93.8-156.1-14800112.1V949 E950 E951 K957V949-E953 WeakPolarHBondContact O-CB 3.48Å; V949-E953 PolarHBondContact O-N 3.34Å; E950-E953 WeakPolarHBondContact O-CB 3.3Å; E950-E953 PolarHBondContact O-N 2.96Å; E951-E953 VanDerWaalsContact C-N 3.34Å; E953-K957 VanDerWaalsContact O-CD 3.27Å; E953-K957 WeakPolarHBondContact O-CD 3.34Å; E953-K957 WeakPolarHBondContact O-CG 3.21Å; E953-K957 PolarHBondContact O-N 2.89Å; E953-K957 VanDerWaalsContact O-N 3.1Å; E953-K957 WeakPolarHBondContact OE2-CE 3.38Å; E953-K957 IonicContact OE2-NZ 2.63Å; E953-K957 PolarHBondContact OE2-NZ 2.96Å
954T82Confident81.4Confident70 Ų7096.4 Ų96.443%0.42948%0.482SS..Hα-helixtrans-67.9-45.6176.450.40000111.8E950 E951 L956 K957 E958E950-T954 PolarHBondContact O-N 2.83Å; E950-T954 PolarHBondContact O-OG1 2.95Å; E951-T954 WeakPolarHBondContact CA-OG1 3.43Å; E951-T954 PolarHBondContact O-N 3.33Å; E951-T954 PolarHBondContact O-OG1 3.44Å; T954-L956 VanDerWaalsContact C-N 3.31Å; T954-L956 PolarHBondContact O-N 3.31Å; T954-K957 PolarHBondContact O-N 3.4Å; T954-K957 VanDerWaalsContact O-N 3.14Å; T954-E958 WeakPolarHBondContact O-CG 3.17Å; T954-E958 PolarHBondContact O-N 3.4Å
955R82.1Confident81.8Confident134 Ų13494.8 Ų94.851%0.50648%0.483SS..Hα-helixtrans-61.5-37.8177.5-70.7169.8177.8-1308.6112E951 Q952 E958 A959E951-R955 WeakPolarHBondContact O-CB 3.43Å; E951-R955 VanDerWaalsContact O-CG 3.31Å; E951-R955 WeakPolarHBondContact O-CG 3.44Å; E951-R955 PolarHBondContact O-N 3.36Å; E951-R955 IonicContact OE1-CZ 3.7Å; E951-R955 VanDerWaalsContact OE1-CZ 3.23Å; E951-R955 IonicContact OE1-NE 2.83Å; E951-R955 PolarHBondContact OE1-NE 2.96Å; E951-R955 IonicContact OE1-NH2 3.93Å; E951-R955 PolarHBondContact OE1-NH2 3.45Å; Q952-R955 PolarHBondContact O-N 2.78Å; R955-E958 PolarHBondContact O-N 3.29Å; R955-A959 VanDerWaalsContact O-CB 3.32Å; R955-A959 WeakPolarHBondContact O-CB 3.27Å; R955-A959 PolarHBondContact O-N 2.96Å
956L85.4Confident82.3Confident96 Ų9697.6 Ų97.650%0.50349%0.485SS..Hα-helixtrans-67.8-37.6175.5-171.670.5000112.2Q952 T954 K960Q952-L956 VanDerWaalsContact O-CB 3.24Å; Q952-L956 WeakPolarHBondContact O-CB 3.39Å; Q952-L956 PolarHBondContact O-N 3.07Å; T954-L956 VanDerWaalsContact C-N 3.31Å; T954-L956 PolarHBondContact O-N 3.31Å; L956-K960 WeakPolarHBondContact O-CB 3.38Å; L956-K960 WeakPolarHBondContact O-CG 3.4Å; L956-K960 PolarHBondContact O-N 3.37Å
957K87.1Confident82.6Confident122 Ų12297.5 Ų97.553%0.5349%0.489SS..Hα-helixtrans-68.3-41.5175-70.8160.5-165.1163.40111.5E953 T954 A961E953-K957 VanDerWaalsContact O-CD 3.27Å; E953-K957 WeakPolarHBondContact O-CD 3.34Å; E953-K957 WeakPolarHBondContact O-CG 3.21Å; E953-K957 PolarHBondContact O-N 2.89Å; E953-K957 VanDerWaalsContact O-N 3.1Å; E953-K957 WeakPolarHBondContact OE2-CE 3.38Å; E953-K957 IonicContact OE2-NZ 2.63Å; E953-K957 PolarHBondContact OE2-NZ 2.96Å; T954-K957 PolarHBondContact O-N 3.4Å; T954-K957 VanDerWaalsContact O-N 3.14Å; K957-A961 WeakPolarHBondContact O-CB 3.47Å; K957-A961 PolarHBondContact O-N 3.1Å
958E84Confident82.9Confident135 Ų13595.3 Ų95.363%0.63148%0.483SS*.Hα-helixtrans-63.5-44173.7-72.1177.3171.700111.8T954 R955 A961 L962T954-E958 WeakPolarHBondContact O-CG 3.17Å; T954-E958 PolarHBondContact O-N 3.4Å; R955-E958 PolarHBondContact O-N 3.29Å; E958-A961 PolarHBondContact O-N 2.83Å; E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.15Å
959A84Confident83Confident46 Ų4693.1 Ų93.138%0.3848%0.483SS..Hα-helixtrans-60.1-49.6175.400000112R955 A961 L962 E963R955-A959 VanDerWaalsContact O-CB 3.32Å; R955-A959 WeakPolarHBondContact O-CB 3.27Å; R955-A959 PolarHBondContact O-N 2.96Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A959-A961 PolarHBondContact O-N 3.38Å; A959-L962 PolarHBondContact O-N 3.35Å; A959-L962 VanDerWaalsContact O-N 3.14Å; A959-E963 PolarHBondContact O-N 3.22Å
960K87.2Confident82.9Confident129 Ų12994.4 Ų94.456%0.56149%0.487SS*.Hα-helixtrans-63.8-35.9177.4-73.1-170.1175.7-164.60113L956 E963 Q964L956-K960 WeakPolarHBondContact O-CB 3.38Å; L956-K960 WeakPolarHBondContact O-CG 3.4Å; L956-K960 PolarHBondContact O-N 3.37Å; K960-E963 PolarHBondContact O-N 2.93Å; K960-Q964 WeakPolarHBondContact O-CB 3.35Å; K960-Q964 PolarHBondContact O-N 3.49Å
961A84.3Confident82.7Confident62 Ų6293.9 Ų93.951%0.51249%0.485SS..Hα-helixtrans-66-37.6173.300000112.2K957 E958 A959 A965K957-A961 WeakPolarHBondContact O-CB 3.47Å; K957-A961 PolarHBondContact O-N 3.1Å; E958-A961 PolarHBondContact O-N 2.83Å; A959-A961 VanDerWaalsContact C-N 3.34Å; A959-A961 PolarHBondContact O-N 3.38Å; A961-A965 WeakPolarHBondContact O-CB 3.33Å; A961-A965 PolarHBondContact O-N 2.86Å
962L85.2Confident82.4Confident105 Ų10594.1 Ų94.155%0.5549%0.489SS..Hα-helixtrans-71.5-35.9177-166.7154.1000111.8E958 A959 K966E958-L962 WeakPolarHBondContact O-CB 3.49Å; E958-L962 PolarHBondContact O-N 3.15Å; A959-L962 PolarHBondContact O-N 3.35Å; A959-L962 VanDerWaalsContact O-N 3.14Å; L962-K966 HydrophobicContact CD2-CD 4.02Å; L962-K966 VanDerWaalsContact CD2-CE 3.45Å; L962-K966 HydrophobicContact CD2-CG 4.41Å; L962-K966 WeakPolarHBondContact O-CG 3.49Å; L962-K966 PolarHBondContact O-N 2.96Å
963E82.6Confident82Confident121 Ų12192 Ų9257%0.56548%0.482SS*.Hα-helixtrans-68.6-42.7171.8-72-174147.100112.7A959 K960 A965 K966 L967A959-E963 PolarHBondContact O-N 3.22Å; K960-E963 PolarHBondContact O-N 2.93Å; E963-A965 VanDerWaalsContact C-N 3.33Å; E963-A965 PolarHBondContact O-N 3.17Å; E963-K966 WeakPolarHBondContact O-CB 3.32Å; E963-K966 PolarHBondContact O-N 3.23Å; E963-L967 PolarHBondContact O-N 2.85Å
964Q84Confident81.7Confident99 Ų9994.5 Ų94.546%0.46349%0.493SS..Hα-helixtrans-60.1-44.9172.5-173.46350.300110.9K960 K966 L967 D968K960-Q964 WeakPolarHBondContact O-CB 3.35Å; K960-Q964 PolarHBondContact O-N 3.49Å; Q964-K966 VanDerWaalsContact C-N 3.3Å; Q964-K966 PolarHBondContact O-N 2.9Å; Q964-L967 PolarHBondContact O-N 3.47Å; Q964-L967 VanDerWaalsContact O-N 3.09Å; Q964-D968 PolarHBondContact NE2-OD1 3.28Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 VanDerWaalsContact O-CG 3.24Å; Q964-D968 PolarHBondContact O-N 3.15Å
965A82.1Confident81.3Confident58 Ų5896.7 Ų96.748%0.47950%0.497SS..Hα-helixtrans-62.6-33.3176.700000113.2A961 E963 A969A961-A965 WeakPolarHBondContact O-CB 3.33Å; A961-A965 PolarHBondContact O-N 2.86Å; E963-A965 VanDerWaalsContact C-N 3.33Å; E963-A965 PolarHBondContact O-N 3.17Å; A965-A969 VanDerWaalsContact O-CB 3.23Å; A965-A969 WeakPolarHBondContact O-CB 3.47Å; A965-A969 PolarHBondContact O-N 3.33Å
966K83.4Confident80.5Confident111 Ų11194.7 Ų94.748%0.48350%0.496SS..Hα-helixtrans-66.5-44.6170-76.7168.2173.5170.30111.7L962 E963 Q964 A969 L970L962-K966 HydrophobicContact CD2-CD 4.02Å; L962-K966 VanDerWaalsContact CD2-CE 3.45Å; L962-K966 HydrophobicContact CD2-CG 4.41Å; L962-K966 WeakPolarHBondContact O-CG 3.49Å; L962-K966 PolarHBondContact O-N 2.96Å; E963-K966 WeakPolarHBondContact O-CB 3.32Å; E963-K966 PolarHBondContact O-N 3.23Å; Q964-K966 VanDerWaalsContact C-N 3.3Å; Q964-K966 PolarHBondContact O-N 2.9Å; K966-A969 PolarHBondContact O-N 2.94Å; K966-L970 WeakPolarHBondContact O-CB 3.48Å; K966-L970 WeakPolarHBondContact O-CG 3.22Å; K966-L970 PolarHBondContact O-N 3.23Å
967L84.4Confident79.2Confident95 Ų9592.8 Ų92.850%0.49749%0.488SS..Hα-helixtrans-64.5-45.2-179.7-170.769.1000111E963 Q964 A969 L970 M971E963-L967 PolarHBondContact O-N 2.85Å; Q964-L967 PolarHBondContact O-N 3.47Å; Q964-L967 VanDerWaalsContact O-N 3.09Å; L967-A969 PolarHBondContact O-N 2.96Å; L967-L970 PolarHBondContact O-N 3.45Å; L967-M971 WeakPolarHBondContact O-CB 3.47Å; L967-M971 WeakPolarHBondContact O-CG 3.45Å; L967-M971 PolarHBondContact O-N 3.2Å
968D82.5Confident78Confident81 Ų8193.7 Ų93.743%0.43350%0.498SS..Hα-helixtrans-61.2-44175.7-65.5-21.2000111.1Q964 L970 M971 D972Q964-D968 PolarHBondContact NE2-OD1 3.28Å; Q964-D968 WeakPolarHBondContact O-CB 3.49Å; Q964-D968 VanDerWaalsContact O-CG 3.24Å; Q964-D968 PolarHBondContact O-N 3.15Å; D968-L970 PolarHBondContact O-N 3.06Å; D968-M971 PolarHBondContact O-N 3.43Å; D968-D972 PolarHBondContact O-N 2.98Å
969A79.3Confident76.8Confident60 Ų6091.2 Ų91.250%0.49650%0.501SS..Hα-helixtrans-64.2-37.9175.800000113A965 K966 L967 L973A965-A969 VanDerWaalsContact O-CB 3.23Å; A965-A969 WeakPolarHBondContact O-CB 3.47Å; A965-A969 PolarHBondContact O-N 3.33Å; K966-A969 PolarHBondContact O-N 2.94Å; L967-A969 PolarHBondContact O-N 2.96Å; A969-L973 VanDerWaalsContact O-CB 3.31Å; A969-L973 WeakPolarHBondContact O-CB 3.5Å; A969-L973 PolarHBondContact O-N 2.89Å
970L78Confident75.1Confident109 Ų10990.9 Ų90.957%0.57150%0.495SS*.Hα-helixtrans-68.4-39.6173.6-75.2169.8000111.9K966 L967 D968 L973 Q974K966-L970 WeakPolarHBondContact O-CB 3.48Å; K966-L970 WeakPolarHBondContact O-CG 3.22Å; K966-L970 PolarHBondContact O-N 3.23Å; L967-L970 PolarHBondContact O-N 3.45Å; D968-L970 PolarHBondContact O-N 3.06Å; L970-L973 PolarHBondContact O-N 2.95Å; L970-Q974 WeakPolarHBondContact O-CB 3.29Å; L970-Q974 PolarHBondContact O-N 3.15Å
971M77.2Confident73.6Confident82 Ų8290 Ų9040%0.40450%0.503SS..Hα-helixtrans-65.2-39.1174.9-74-55.6-48.900112L967 D968 Q974 K975L967-M971 WeakPolarHBondContact O-CB 3.47Å; L967-M971 WeakPolarHBondContact O-CG 3.45Å; L967-M971 PolarHBondContact O-N 3.2Å; D968-M971 PolarHBondContact O-N 3.43Å; M971-Q974 PolarHBondContact O-N 3.11Å; M971-K975 VanDerWaalsContact O-CG 3.27Å; M971-K975 WeakPolarHBondContact O-CG 3.39Å; M971-K975 PolarHBondContact O-N 2.95Å
972D74.5Confident72.1Confident84 Ų8490.8 Ų90.845%0.44950%0.499SS..Hα-helixtrans-71.9-36.2174.4-81-4000112.2D968 Q974 K975 L976D968-D972 PolarHBondContact O-N 2.98Å; D972-Q974 VanDerWaalsContact C-N 3.31Å; D972-Q974 PolarHBondContact O-N 2.96Å; D972-K975 PolarHBondContact O-N 3.11Å; D972-K975 WeakPolarHBondContact OD1-CD 3.31Å; D972-K975 WeakPolarHBondContact OD1-CE 3.41Å; D972-K975 IonicContact OD1-NZ 3.62Å; D972-K975 PolarHBondContact OD1-NZ 3.45Å; D972-L976 WeakPolarHBondContact O-CB 3.49Å; D972-L976 VanDerWaalsContact O-CG 3.3Å; D972-L976 WeakPolarHBondContact O-CG 3.31Å; D972-L976 PolarHBondContact O-N 2.92Å
973L71.5Confident70.6Confident79 Ų7992.2 Ų92.241%0.41451%0.506SS..Hα-helixtrans-60.6-41.5169.7-16778.1000111.1A969 L970 L976 T977 L993A969-L973 VanDerWaalsContact O-CB 3.31Å; A969-L973 WeakPolarHBondContact O-CB 3.5Å; A969-L973 PolarHBondContact O-N 2.89Å; L970-L973 PolarHBondContact O-N 2.95Å; L973-L976 PolarHBondContact O-N 3.34Å; L973-T977 WeakPolarHBondContact O-CB 3.38Å; L973-T977 PolarHBondContact O-N 3.5Å; L973-T977 PolarHBondContact O-OG1 3.08Å; L973-L993 HydrophobicContact CD1-CD1 4.27Å
974Q74.9Confident69Low106 Ų10689.6 Ų89.650%0.49551%0.512SS..Hα-helixtrans-64.7-43.8176.1-167.7-177.318.200111.5L970 M971 D972 L976 T977 L978L970-Q974 WeakPolarHBondContact O-CB 3.29Å; L970-Q974 PolarHBondContact O-N 3.15Å; M971-Q974 PolarHBondContact O-N 3.11Å; D972-Q974 VanDerWaalsContact C-N 3.31Å; D972-Q974 PolarHBondContact O-N 2.96Å; Q974-L976 PolarHBondContact O-N 2.85Å; Q974-T977 PolarHBondContact O-N 2.96Å; Q974-L978 HydrophobicContact CG-CD1 4.18Å; Q974-L978 WeakPolarHBondContact O-CB 3.43Å; Q974-L978 WeakPolarHBondContact O-CG 3.43Å; Q974-L978 PolarHBondContact O-N 2.93Å
975K74Confident67.3Low117 Ų11792.5 Ų92.551%0.50952%0.518SS..Hα-helixtrans-58.4-46.6173.5-68.8164.8-151.1163.50111.4M971 D972 L978 A979M971-K975 VanDerWaalsContact O-CG 3.27Å; M971-K975 WeakPolarHBondContact O-CG 3.39Å; M971-K975 PolarHBondContact O-N 2.95Å; D972-K975 PolarHBondContact O-N 3.11Å; D972-K975 WeakPolarHBondContact OD1-CD 3.31Å; D972-K975 WeakPolarHBondContact OD1-CE 3.41Å; D972-K975 IonicContact OD1-NZ 3.62Å; D972-K975 PolarHBondContact OD1-NZ 3.45Å; K975-L978 PolarHBondContact O-N 3.44Å; K975-A979 WeakPolarHBondContact O-CB 3.31Å; K975-A979 PolarHBondContact O-N 2.86Å
976L64.1Low65.8Low92 Ų9294.7 Ų94.748%0.48251%0.514SS..Hα-helixtrans-64.9-38.1177.5-71.6167000112.6D972 L973 Q974 L978 A979 S980 M989D972-L976 WeakPolarHBondContact O-CB 3.49Å; D972-L976 VanDerWaalsContact O-CG 3.3Å; D972-L976 WeakPolarHBondContact O-CG 3.31Å; D972-L976 PolarHBondContact O-N 2.92Å; L973-L976 PolarHBondContact O-N 3.34Å; Q974-L976 PolarHBondContact O-N 2.85Å; L976-L978 VanDerWaalsContact C-N 3.34Å; L976-A979 PolarHBondContact O-N 3.11Å; L976-S980 PolarHBondContact O-N 3.43Å; L976-S980 VanDerWaalsContact O-N 3.15Å; L976-M989 HydrophobicContact CD1-SD 4.25Å
977T59.4Low64.2Low55 Ų5593.6 Ų93.634%0.33752%0.519SS..Hα-helixtrans-66-34.9177.1-62.90000112.1L973 Q974 R986L973-T977 WeakPolarHBondContact O-CB 3.38Å; L973-T977 PolarHBondContact O-N 3.5Å; L973-T977 PolarHBondContact O-OG1 3.08Å; Q974-T977 PolarHBondContact O-N 2.96Å; T977-R986 PolarHBondContact O-NH2 3.46Å
978L61.7Low62.7Low141 Ų14197.3 Ų97.374%0.73853%0.532SS*.Hα-helixtrans-81.5-31.4174.5-68.2169.3000112.8Q974 K975 L976Q974-L978 HydrophobicContact CG-CD1 4.18Å; Q974-L978 WeakPolarHBondContact O-CB 3.43Å; Q974-L978 WeakPolarHBondContact O-CG 3.43Å; Q974-L978 PolarHBondContact O-N 2.93Å; K975-L978 PolarHBondContact O-N 3.44Å; L976-L978 VanDerWaalsContact C-N 3.34Å
979A58.4Low61.2Low84 Ų8497.7 Ų97.769%0.69453%0.532SS*.Hα-helixtrans-82.9-8.6-178.200000114.5K975 L976K975-A979 WeakPolarHBondContact O-CB 3.31Å; K975-A979 PolarHBondContact O-N 2.86Å; L976-A979 PolarHBondContact O-N 3.11Å
980S48.2Very low60Low39 Ų39100.8 Ų100.827%0.27354%0.536SS..  trans-135107.3177.2-161.80000111.8L976 D982L976-S980 PolarHBondContact O-N 3.43Å; L976-S980 VanDerWaalsContact O-N 3.15Å; S980-D982 PolarHBondContact O-N 3.44Å
981P54.8Low58.7Low110 Ų11098 Ų9871%0.71453%0.529SS*.  trans-76-9.9174.731.4-34.8000113.2L983P981-L983 PolarHBondContact O-N 2.85Å
982D53.4Low57.5Low79 Ų7996.8 Ų96.842%0.42253%0.532SS..  trans-67.789.2178.4-72.5-10.2000111.7S980 G984 R985S980-D982 PolarHBondContact O-N 3.44Å; D982-G984 PolarHBondContact O-N 2.91Å; D982-G984 VanDerWaalsContact O-N 3.11Å; D982-R985 HydrophobicContact CB-CB 4.33Å; D982-R985 HydrophobicContact CB-CG 3.9Å; D982-R985 PolarHBondContact O-N 2.84Å; D982-R985 IonicContact OD2-CZ 3.61Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 3.09Å; D982-R985 IonicContact OD2-NH2 2.93Å
983L55Low56.5Low134 Ų13496.7 Ų96.770%0.70253%0.531SS*.Hα-helixtrans-46.4-42.2173.5-77.2136.1000112.6P981 R985 R986P981-L983 PolarHBondContact O-N 2.85Å; L983-R985 PolarHBondContact O-N 2.86Å; L983-R985 VanDerWaalsContact O-N 3.1Å; L983-R986 WeakPolarHBondContact O-CB 3.44Å; L983-R986 PolarHBondContact O-N 2.81Å
984G47.9Very low55.8Low67 Ų6797.2 Ų97.269%0.69154%0.538SS*.Hα-helixtrans-64.4-11179.900000116.2D982D982-G984 PolarHBondContact O-N 2.91Å; D982-G984 VanDerWaalsContact O-N 3.11Å
985R48.8Very low54.7Low160 Ų16098.8 Ų98.860%0.60455%0.55SS*.Hα-helixtrans-87.1-24.2172-68.6-174.8-172.4-118.4-0.7113.2D982 L983 K988 M989D982-R985 HydrophobicContact CB-CB 4.33Å; D982-R985 HydrophobicContact CB-CG 3.9Å; D982-R985 PolarHBondContact O-N 2.84Å; D982-R985 IonicContact OD2-CZ 3.61Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 3.09Å; D982-R985 IonicContact OD2-NH2 2.93Å; L983-R985 PolarHBondContact O-N 2.86Å; L983-R985 VanDerWaalsContact O-N 3.1Å; R985-K988 PolarHBondContact O-N 3.31Å; R985-M989 PolarHBondContact O-N 3.07Å
986R51.3Low53.6Low103 Ų10396.5 Ų96.539%0.38955%0.552SS.*Hα-helixtrans-63.5-54.3-171.5-63.8-174.3179.2-175.8-1.1112T977 L983 K988 M989 E990T977-R986 PolarHBondContact O-NH2 3.46Å; L983-R986 WeakPolarHBondContact O-CB 3.44Å; L983-R986 PolarHBondContact O-N 2.81Å; R986-K988 PolarHBondContact O-N 3.49Å; R986-K988 VanDerWaalsContact O-N 3.1Å; R986-M989 WeakPolarHBondContact O-CB 3.26Å; R986-M989 PolarHBondContact O-N 3.39Å; R986-E990 PolarHBondContact O-N 2.83Å
987C49.7Very low52.8Low88 Ų8897.8 Ų97.860%0.59556%0.559SS**Hα-helixtrans-57.2-32.1-178.3-48.20000113.7A991C987-A991 WeakPolarHBondContact O-CB 3.28Å; C987-A991 PolarHBondContact O-N 2.98Å; C987-A991 VanDerWaalsContact O-N 3.13Å
988K52.9Low51.9Low174 Ų174100.4 Ų100.476%0.75758%0.577SS**Hα-helixtrans-75.1-27176.8-76.2-177.5176.8174.40113.4R985 R986 A992R985-K988 PolarHBondContact O-N 3.31Å; R986-K988 PolarHBondContact O-N 3.49Å; R986-K988 VanDerWaalsContact O-N 3.1Å; K988-A992 PolarHBondContact O-N 3.38Å
989M50.6Low50.9Low89 Ų89104.7 Ų104.744%0.43859%0.585SS.*Hα-helixtrans-81.2-38.2176.7-159.7176.8-59.600111.1L976 R985 R986 A992 L993L976-M989 HydrophobicContact CD1-SD 4.25Å; R985-M989 PolarHBondContact O-N 3.07Å; R986-M989 WeakPolarHBondContact O-CB 3.26Å; R986-M989 PolarHBondContact O-N 3.39Å; M989-A992 WeakPolarHBondContact O-CB 3.48Å; M989-A992 PolarHBondContact O-N 3.03Å; M989-A992 VanDerWaalsContact O-N 3.09Å; M989-L993 WeakPolarHBondContact O-CG 3.38Å; M989-L993 PolarHBondContact O-N 3.14Å
990E52.8Low49.9Very low124 Ų124103.6 Ų103.658%0.57958%0.576SS**Hα-helixtrans-63.3-43.8175.6-164.4157.3-125.100112.3R986 A992 L993 T994R986-E990 PolarHBondContact O-N 2.83Å; E990-A992 PolarHBondContact O-N 3.33Å; E990-L993 PolarHBondContact O-N 2.72Å; E990-T994 PolarHBondContact O-N 3.33Å; E990-T994 VanDerWaalsContact O-N 3.08Å; E990-T994 PolarHBondContact O-OG1 3.34Å
991A52Low49.3Very low52 Ų52106.1 Ų106.143%0.4361%0.608SS.*Hα-helixtrans-64.7-24.2170.400000113.6C987 T994 N995C987-A991 WeakPolarHBondContact O-CB 3.28Å; C987-A991 PolarHBondContact O-N 2.98Å; C987-A991 VanDerWaalsContact O-N 3.13Å; A991-T994 WeakPolarHBondContact CA-OG1 3.44Å; A991-T994 PolarHBondContact O-OG1 3.09Å; A991-N995 PolarHBondContact O-ND2 2.83Å
992A52.7Low48.7Very low56 Ų56106 Ų10646%0.46360%0.6SS.*Hα-helixtrans-80.7-40.9174.500000111.8K988 M989 E990 N995 A996K988-A992 PolarHBondContact O-N 3.38Å; M989-A992 WeakPolarHBondContact O-CB 3.48Å; M989-A992 PolarHBondContact O-N 3.03Å; M989-A992 VanDerWaalsContact O-N 3.09Å; E990-A992 PolarHBondContact O-N 3.33Å; A992-N995 PolarHBondContact O-N 3.45Å; A992-A996 WeakPolarHBondContact O-CB 3.15Å; A992-A996 PolarHBondContact O-N 3.02Å; A992-A996 VanDerWaalsContact O-N 3.09Å
993L52.6Low48Very low81 Ų81112.3 Ų112.342%0.42462%0.618SS.*Hα-helixtrans-66.6-41.3179.3-74.8165.5000112.6L973 M989 E990 N995 A996 L997L973-L993 HydrophobicContact CD1-CD1 4.27Å; M989-L993 WeakPolarHBondContact O-CG 3.38Å; M989-L993 PolarHBondContact O-N 3.14Å; E990-L993 PolarHBondContact O-N 2.72Å; L993-N995 PolarHBondContact O-N 2.89Å; L993-A996 PolarHBondContact O-N 3.19Å; L993-L997 PolarHBondContact O-N 3.07Å
994T56.6Low47Very low90 Ų90114.3 Ų114.355%0.55262%0.621SS**Hα-helixtrans-61.5-29174.141.10000113.3E990 A991E990-T994 PolarHBondContact O-N 3.33Å; E990-T994 VanDerWaalsContact O-N 3.08Å; E990-T994 PolarHBondContact O-OG1 3.34Å; A991-T994 WeakPolarHBondContact CA-OG1 3.44Å; A991-T994 PolarHBondContact O-OG1 3.09Å
995N52.6Low46.5Very low140 Ų140117 Ų11775%0.74962%0.62SS**Hα-helixtrans-85.5-15.6173-78-76000113.8A991 A992 L993A991-N995 PolarHBondContact O-ND2 2.83Å; A992-N995 PolarHBondContact O-N 3.45Å; L993-N995 PolarHBondContact O-N 2.89Å
996A49.7Very low45.9Very low68 Ų68120.7 Ų120.756%0.56265%0.651SS**Hα-helixtrans-90.6-13.6-177.900000114.2A992 L993 P998A992-A996 WeakPolarHBondContact O-CB 3.15Å; A992-A996 PolarHBondContact O-N 3.02Å; A992-A996 VanDerWaalsContact O-N 3.09Å; L993-A996 PolarHBondContact O-N 3.19Å; A996-P998 WeakPolarHBondContact O-CD 3.39Å
997L47.3Very low45.6Very low120 Ų120121.6 Ų121.663%0.62866%0.664SS**  trans-115.467.8-175.8-70171.2000113.1L993 Y999L993-L997 PolarHBondContact O-N 3.07Å; L997-Y999 PolarHBondContact O-N 2.8Å
998P40.8Very low45.4Very low110 Ų110123.4 Ų123.471%0.71467%0.668SS**THydrogen-bonded Turntrans-73.323.7-176.133.3-38.5000114.9A996A996-P998 WeakPolarHBondContact O-CD 3.39Å
999Y40.8Very low45Very low230 Ų230120.6 Ų120.690%0.90266%0.663SS**THydrogen-bonded Turntrans-131.72.4-171.6-93.7-77.8000115.8L997L997-Y999 PolarHBondContact O-N 2.8Å
1000A38.6Very low44.7Very low62 Ų62122.4 Ų122.451%0.51268%0.676SS.*  trans-124122.9169.900000109.9I1002A1000-I1002 HydrophobicContact CB-CD1 4.38Å; A1000-I1002 HydrophobicContact CB-CG1 4.32Å; A1000-I1002 PolarHBondContact O-N 3.34Å
1001G35.3Very low44.2Very low91 Ų91122.3 Ų122.394%0.93868%0.682SS**  trans-72.121.7175.900000114.4R1003G1001-R1003 PolarHBondContact O-N 3.26Å
1002I41.3Very low43.7Very low107 Ų107127 Ų12755%0.54970%0.699SS.*  trans-90.4100.2-175.4-56.5174000107.7A1000 F1004A1000-I1002 HydrophobicContact CB-CD1 4.38Å; A1000-I1002 HydrophobicContact CB-CG1 4.32Å; A1000-I1002 PolarHBondContact O-N 3.34Å; I1002-F1004 HydrophobicContact CG2-CD2 3.94Å; I1002-F1004 HydrophobicContact CG2-CE2 3.73Å; I1002-F1004 HydrophobicContact CG2-CZ 4.21Å; I1002-F1004 PolarHBondContact O-N 3.16Å
1003R38Very low43Very low213 Ų213132.1 Ų132.180%0.80472%0.716SS**  trans-72.4110.5159.4-66.9-174.6-178.9-166.81107.4G1001 L1005G1001-R1003 PolarHBondContact O-N 3.26Å; R1003-L1005 HydrophobicContact CB-CD1 4.24Å; R1003-L1005 HydrophobicContact CB-CG 4.46Å
1004F34Very low42.3Very low175 Ų175136 Ų13677%0.76874%0.738SS**  trans-72.2123153.9-72.1-90.7000106.9I1002I1002-F1004 HydrophobicContact CG2-CD2 3.94Å; I1002-F1004 HydrophobicContact CG2-CE2 3.73Å; I1002-F1004 HydrophobicContact CG2-CZ 4.21Å; I1002-F1004 PolarHBondContact O-N 3.16Å
1005L37.6Very low41.1Very low125 Ų125139.8 Ų139.865%0.65475%0.754SS**  trans-144.6117.1175-87.3168.2000106.6R1003R1003-L1005 HydrophobicContact CB-CD1 4.24Å; R1003-L1005 HydrophobicContact CB-CG 4.46Å
1006D36.9Very low40Very low237 Ų237139.8 Ų139.8100%1.26775%0.754SS**  trans35.80165.9-50.5-12.8000118.5

Retrieved 1,006 of 1,006 residues in 354.5 ms (Link to these results)