A0A096M1A2_POEFO Loading...

MICOS complex subunit

Component of the MICOS complex, a large protein complex of the mitochondrial inner membrane that plays crucial roles in the maintenance of crista junctions, inner membrane architecture, and formation of contact sites to the outer membrane.

AlphaFold DB , UniProt , Accession A0A096M1A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 411 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
1M38.4Very low42.2Very low248 Ų248150.9 Ų150.9100%1.22285%0.85SS**  0132.50-65.1144.999.600107
2A43.7Very low42Very low100 Ų100148.3 Ų148.383%0.82684%0.839SS**  cis-150.9159.2-5.900000112.1
3G38.5Very low41.8Very low75 Ų75145.5 Ų145.577%0.77384%0.835SS**  trans9.7111165.500000121
4A42.4Very low41.8Very low105 Ų105145.9 Ų145.987%0.86883%0.831SS**  trans-125.156.2164.100000110.6R6A4-R6 PolarHBondContact O-N 3.48Å
5D41.7Very low41.6Very low113 Ų113140.4 Ų140.460%0.60482%0.819SS**  trans-88.5109.1-173.2-95.3-61.4000114.3
6R46.6Very low41.8Very low213 Ų213145.8 Ų145.880%0.80482%0.821SS**  trans4876.9132.7-53.5177.5-147.1-142.9-1.5119A4 K8A4-R6 PolarHBondContact O-N 3.48Å; R6-K8 PolarHBondContact O-N 3.42Å
7F40.1Very low41.8Very low217 Ų217151.5 Ų151.595%0.95283%0.827SS**  trans-86.478.7147.9-86.6-87.2000111.4A9F7-A9 PolarHBondContact O-N 3.11Å
8K45.6Very low42.2Very low200 Ų200156 Ų15687%0.8783%0.829SS**  trans-75.6109.4163.9-92.8-168.2174-175.70109R6 A10R6-K8 PolarHBondContact O-N 3.42Å; K8-A10 PolarHBondContact O-N 2.94Å; K8-A10 VanDerWaalsContact O-N 3.09Å
9A44.3Very low42.2Very low100 Ų100151.4 Ų151.483%0.82682%0.823SS**  trans-61110.6178.800000111.9F7 K11F7-A9 PolarHBondContact O-N 3.11Å; A9-K11 PolarHBondContact O-N 2.88Å
10A40.3Very low42.6Very low88 Ų88155.9 Ų155.973%0.72783%0.827SS**  trans-73.495.1175.800000110.3K8 V12K8-A10 PolarHBondContact O-N 2.94Å; K8-A10 VanDerWaalsContact O-N 3.09Å; A10-V12 VanDerWaalsContact C-N 3.29Å; A10-V12 PolarHBondContact O-N 3.37Å
11K43Very low42.8Very low201 Ų201155.9 Ų155.987%0.87483%0.826SS**  trans-74.878.4179.7-166.9172.5-174.5173.60111A9 S13A9-K11 PolarHBondContact O-N 2.88Å; K11-S13 PolarHBondContact O-N 3.21Å
12V39.3Very low43Very low120 Ų120148.1 Ų148.173%0.72780%0.801SS**  trans-61.3102.8179.9179.80000110.5A10 I14A10-V12 VanDerWaalsContact C-N 3.29Å; A10-V12 PolarHBondContact O-N 3.37Å; V12-I14 HydrophobicContact CG1-CG1 4.27Å; V12-I14 PolarHBondContact O-N 3.37Å; V12-I14 VanDerWaalsContact O-N 3.15Å
13S39.6Very low43.1Very low111 Ų111149.7 Ų149.778%0.77680%0.8SS**  trans-78.993.1176.144.40000110.4K11 G15K11-S13 PolarHBondContact O-N 3.21Å; S13-G15 VanDerWaalsContact C-N 3.28Å; S13-G15 PolarHBondContact O-N 3.12Å
14I42.2Very low43.2Very low152 Ų152154.6 Ų154.678%0.77981%0.805SS**  trans-66.789.8172.5-61.5-179.4000109.3V12 R16V12-I14 HydrophobicContact CG1-CG1 4.27Å; V12-I14 PolarHBondContact O-N 3.37Å; V12-I14 VanDerWaalsContact O-N 3.15Å; I14-R16 PolarHBondContact O-N 3.41Å
15G38.5Very low43.3Very low63 Ų63153.9 Ų153.965%0.64980%0.8SS**  trans-66.591.417600000110.8S13 R17S13-G15 VanDerWaalsContact C-N 3.28Å; S13-G15 PolarHBondContact O-N 3.12Å; G15-R17 VanDerWaalsContact C-N 3.3Å; G15-R17 PolarHBondContact O-N 2.96Å
16R44.3Very low43.3Very low226 Ų226152.9 Ų152.985%0.85381%0.807SS**  trans-62.885.7178.7-174.4-176.5-75.6-162.5-2.7110.6I14 R18I14-R16 PolarHBondContact O-N 3.41Å; R16-R18 PolarHBondContact O-N 3.38Å
17R42.7Very low43Very low244 Ų244151.8 Ų151.892%0.92181%0.808SS**  trans-57102.2176-68.3-169.6-175.7-159.53.3109.7G15 G19G15-R17 VanDerWaalsContact C-N 3.3Å; G15-R17 PolarHBondContact O-N 2.96Å; R17-G19 PolarHBondContact O-N 3.25Å
18R48.3Very low43.3Very low232 Ų232147.2 Ų147.288%0.87580%0.797SS**  trans-69.995.1167.2-80.9-179168.4166.7-2.9108.6R16 R20R16-R18 PolarHBondContact O-N 3.38Å; R18-R20 PolarHBondContact O-N 2.57Å; R18-R20 VanDerWaalsContact O-N 3.08Å
19G42.7Very low43.1Very low69 Ų69143.1 Ų143.171%0.71179%0.789SS**  trans-58.1111.3164.500000109.2R17 I21R17-G19 PolarHBondContact O-N 3.25Å; G19-I21 PolarHBondContact O-N 3.45Å
20R49.7Very low42.9Very low241 Ų241146.5 Ų146.591%0.90979%0.789SS**  trans-73.6103.5167.1-81.6-175.7-90.5177.9-6.4106.7R18 A22R18-R20 PolarHBondContact O-N 2.57Å; R18-R20 VanDerWaalsContact O-N 3.08Å; R20-A22 PolarHBondContact O-N 3.19Å
21I46.1Very low43.1Very low156 Ų156147.9 Ų147.980%0.879%0.789SS**  trans-65.5103.2169.2-59.7174.7000106.5G19 V23G19-I21 PolarHBondContact O-N 3.45Å; I21-V23 PolarHBondContact O-N 3.48Å; I21-V23 VanDerWaalsContact O-N 3.12Å
22A43Very low43.4Very low84 Ų84142.6 Ų142.669%0.69478%0.783SS**  trans-72.1101.5172.800000108.1R20 M24R20-A22 PolarHBondContact O-N 3.19Å; A22-M24 PolarHBondContact O-N 3.42Å
23V46.1Very low43.6Very low134 Ų134142.2 Ų142.281%0.81278%0.78SS**  trans-69.499170.2-179.90000107.1I21 A25I21-V23 PolarHBondContact O-N 3.48Å; I21-V23 VanDerWaalsContact O-N 3.12Å; V23-A25 PolarHBondContact O-N 2.9Å; V23-A25 VanDerWaalsContact O-N 3.11Å
24M40.8Very low43.5Very low177 Ų177142 Ų14287%0.87278%0.777SS**  trans-66.2109.9171.6-74.5-166.4176.500108.8A22 A26A22-M24 PolarHBondContact O-N 3.42Å; M24-A26 PolarHBondContact O-N 3.06Å
25A44Very low43.9Very low91 Ų91140.9 Ų140.975%0.75278%0.777SS**  trans-69.699.2167.100000108.4V23 K27V23-A25 PolarHBondContact O-N 2.9Å; V23-A25 VanDerWaalsContact O-N 3.11Å; A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 3.43Å
26A42.4Very low44.4Very low91 Ų91144 Ų14475%0.75278%0.783SS**  trans-64.691.7174.300000109.4M24 V28M24-A26 PolarHBondContact O-N 3.06Å; A26-V28 PolarHBondContact O-N 3.13Å
27K41.2Very low44.6Very low191 Ų191140.8 Ų140.883%0.8378%0.782SS**  trans-78.985.8-174.6-159.5173.6-172.7-179.70109.1A25 V29A25-K27 VanDerWaalsContact C-N 3.31Å; A25-K27 PolarHBondContact O-N 3.43Å; K27-V29 PolarHBondContact O-N 2.89Å
28V44.9Very low44.8Very low120 Ų120132.1 Ų132.173%0.72777%0.768SS**  trans-61.3104.7178.8-178.40000109.1A26 M30A26-V28 PolarHBondContact O-N 3.13Å; V28-M30 PolarHBondContact O-N 3.42Å
29V42.7Very low44.8Very low115 Ų115129 Ų12970%0.69777%0.768SS**  trans-74.9112.7169.7176.90000107K27 V31K27-V29 PolarHBondContact O-N 2.89Å; V29-V31 PolarHBondContact O-N 3.01Å
30M39.7Very low45.1Very low170 Ų170129.9 Ų129.984%0.83777%0.768SS**  trans-67.995.4171.7-69.4-70.2-90.400108.5V28 A32V28-M30 PolarHBondContact O-N 3.42Å; M30-A32 PolarHBondContact O-N 3.08Å
31V44.1Very low45.2Very low117 Ų117122.9 Ų122.971%0.70976%0.756SS**  trans-69102.3169.4177.80000107.1V29 V33V29-V31 PolarHBondContact O-N 3.01Å; V31-V33 PolarHBondContact O-N 3.01Å
32A48.4Very low45.9Very low91 Ų91121.6 Ų121.675%0.75275%0.749SS**  trans-65.510017300000108.8M30 P34M30-A32 PolarHBondContact O-N 3.08Å; A32-P34 VanDerWaalsContact O-CD 3.27Å; A32-P34 WeakPolarHBondContact O-CD 3.23Å
33V44.7Very low46.4Very low112 Ų112126.1 Ų126.168%0.67975%0.748SS**  trans-69.9115.7173.3177.80000107.7V31 T35V31-V33 PolarHBondContact O-N 3.01Å; V33-T35 PolarHBondContact O-N 2.75Å
34P37.8Very low46.8Very low107 Ų107125.4 Ų125.470%0.69574%0.744SS**  trans-74.1100.3177.130.2-32000108.6A32 V36A32-P34 VanDerWaalsContact O-CD 3.27Å; A32-P34 WeakPolarHBondContact O-CD 3.23Å; P34-V36 HydrophobicContact CB-CG2 4.33Å; P34-V36 PolarHBondContact O-N 2.99Å
35T50.8Low47Very low128 Ų128125.3 Ų125.379%0.78574%0.735SS**  trans-72.675.9172.552.70000109.7V33 L37V33-T35 PolarHBondContact O-N 2.75Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 2.84Å
36V48.9Very low47.6Very low128 Ų128125.4 Ų125.478%0.77673%0.727SS**  trans-69.587.8173.3-174.10000108P34 G38P34-V36 HydrophobicContact CB-CG2 4.33Å; P34-V36 PolarHBondContact O-N 2.99Å; V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 2.99Å
37L48.2Very low48.2Very low159 Ų159126.8 Ų126.883%0.83273%0.725SS**  trans-70.885.4178.1-175.662.5000109.3T35 I39T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 2.84Å; L37-I39 PolarHBondContact O-N 3.48Å
38G46.2Very low48.6Very low62 Ų62126 Ų12664%0.63972%0.722SS**  trans-59.8116.5179.700000111.2V36 A40V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 2.99Å; G38-A40 PolarHBondContact O-N 3.32Å
39I48.7Very low49.3Very low167 Ų167127.5 Ų127.586%0.85673%0.726SS**  trans-7193.9179.6-54.8174.9000108.6L37 S41L37-I39 PolarHBondContact O-N 3.48Å; I39-S41 PolarHBondContact O-N 3.18Å
40A48Very low50.1Low86 Ų86125.7 Ų125.771%0.71172%0.723SS**  trans-67.5111.3174.200000109.7G38 I42G38-A40 PolarHBondContact O-N 3.32Å; A40-I42 PolarHBondContact O-N 2.92Å
41S52.8Low51Low94 Ų94120.8 Ų120.866%0.65770%0.704SS**  trans-64.9107.4-177.762.10000111.4I39 R43I39-S41 PolarHBondContact O-N 3.18Å; S41-R43 PolarHBondContact O-N 3.49Å
42I61.3Low51.6Low129 Ų129120.4 Ų120.466%0.66271%0.713SS**  trans-67.1106.1173.3-59.2172.7000108.3A40 V44 I83A40-I42 PolarHBondContact O-N 2.92Å; I42-V44 HydrophobicContact CG2-CG2 4.15Å; I42-V44 PolarHBondContact O-N 2.97Å; I42-I83 HydrophobicContact CD1-CD1 3.89Å
43R53.4Low52.3Low180 Ų180122.7 Ų122.768%0.67971%0.712SS**  trans-81.996.9173-66.7-172.7179.3-162-1.2109.2S41 Y45S41-R43 PolarHBondContact O-N 3.49Å; R43-Y45 HydrophobicContact CB-CD2 3.98Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 HydrophobicContact CG-CE2 4.45Å; R43-Y45 VanDerWaalsContact O-CD2 3.3Å; R43-Y45 WeakPolarHBondContact O-CD2 3.36Å; R43-Y45 PolarHBondContact O-N 3.2Å
44V54.5Low53.1Low119 Ų119120.3 Ų120.372%0.72171%0.71SS**  trans-72.196.5171.3-178.10000108.6I42 T46I42-V44 HydrophobicContact CG2-CG2 4.15Å; I42-V44 PolarHBondContact O-N 2.97Å; V44-T46 HydrophobicContact CG1-CG2 4.27Å; V44-T46 PolarHBondContact O-N 3.05Å; V44-T46 VanDerWaalsContact O-N 3.17Å
45Y44.7Very low54.4Low174 Ų174121.9 Ų121.968%0.68271%0.712SS**  trans-79.490.3171.4-74.4-85.5000109.5R43 V47R43-Y45 HydrophobicContact CB-CD2 3.98Å; R43-Y45 HydrophobicContact CB-CE2 3.51Å; R43-Y45 HydrophobicContact CG-CE2 4.45Å; R43-Y45 VanDerWaalsContact O-CD2 3.3Å; R43-Y45 WeakPolarHBondContact O-CD2 3.36Å; R43-Y45 PolarHBondContact O-N 3.2Å; Y45-V47 PolarHBondContact O-N 3.04Å; Y45-V47 VanDerWaalsContact O-N 3.14Å
46T56.4Low55.1Low94 Ų94120.1 Ų120.158%0.57770%0.701SS**  trans-65.1110.8166.658.90000108.7V44 K48V44-T46 HydrophobicContact CG1-CG2 4.27Å; V44-T46 PolarHBondContact O-N 3.05Å; V44-T46 VanDerWaalsContact O-N 3.17Å; T46-K48 PolarHBondContact O-N 2.98Å
47V53.9Low55.9Low120 Ų120117.2 Ų117.273%0.72769%0.687SS**  trans-69.896.8174.5179.40000108.4Y45 D49Y45-V47 PolarHBondContact O-N 3.04Å; Y45-V47 VanDerWaalsContact O-N 3.14Å; V47-D49 VanDerWaalsContact C-N 3.31Å; V47-D49 WeakPolarHBondContact CG1-OD2 3.49Å; V47-D49 PolarHBondContact O-N 3.14Å
48K50.6Low56.6Low173 Ų173117.6 Ų117.675%0.75268%0.677SS**  trans-88.865-179.9-70.8-167.9175.7-171.60111.4T46 A50T46-K48 PolarHBondContact O-N 2.98Å; K48-A50 PolarHBondContact O-N 3.17Å
49D59.1Low57.4Low152 Ų152120.9 Ų120.981%0.81368%0.68SS**  trans-77.738.9165-70.1-28.7000111.5V47V47-D49 VanDerWaalsContact C-N 3.31Å; V47-D49 WeakPolarHBondContact CG1-OD2 3.49Å; V47-D49 PolarHBondContact O-N 3.14Å
50A59.4Low58.1Low77 Ų77122.6 Ų122.664%0.63668%0.676SS**  trans-93.2122.6175.800000109K48K48-A50 PolarHBondContact O-N 3.17Å
51P58Low59Low67 Ų67121.4 Ų121.444%0.43566%0.657SS.*  trans-64.2145.5175.828-34.1000110.4D53 G54P51-D53 PolarHBondContact O-N 3.14Å; P51-D53 VanDerWaalsContact O-N 3.08Å; P51-G54 PolarHBondContact O-N 3.07Å
52A58.6Low59.5Low109 Ų109122.9 Ų122.990%0.90166%0.657SS**THydrogen-bonded Turntrans-59.1-26.3-171.200000114.3G54A52-G54 VanDerWaalsContact C-N 3.34Å
53D62.1Low60Low139 Ų139122.5 Ų122.574%0.74366%0.661SS**THydrogen-bonded Turntrans-83.8-4.3-179.8-52-60.8000113.9P51 L55P51-D53 PolarHBondContact O-N 3.14Å; P51-D53 VanDerWaalsContact O-N 3.08Å; D53-L55 PolarHBondContact O-N 3.06Å
54G62Low60.5Low62 Ų62120.2 Ų120.264%0.63965%0.653SS**  trans68.8-16.6-176.800000115.7P51 A52 V56P51-G54 PolarHBondContact O-N 3.07Å; A52-G54 VanDerWaalsContact C-N 3.34Å; G54-V56 PolarHBondContact O-N 3.23Å
55L64.5Low60.9Low140 Ų140117.8 Ų117.873%0.73364%0.638SS**  trans-78.7112.2178.5-63.9174.4000111.2D53D53-L55 PolarHBondContact O-N 3.06Å
56V65.9Low61.5Low92 Ų92114.9 Ų114.956%0.55864%0.641SS**  trans-74.3126171.8-174.20000109.5G54 R58 R60 L61G54-V56 PolarHBondContact O-N 3.23Å; V56-R58 PolarHBondContact O-N 2.73Å; V56-R60 HydrophobicContact CG1-CB 4.16Å; V56-L61 HydrophobicContact CB-CD1 3.94Å; V56-L61 HydrophobicContact CG1-CD1 3.5Å
57S65Low61.7Low67 Ų67115.7 Ų115.747%0.46964%0.641SS.*  trans-56.7136.5178.2-440000111.3D59 R60S57-D59 PolarHBondContact O-N 2.76Å; S57-D59 VanDerWaalsContact O-N 3.12Å; S57-R60 WeakPolarHBondContact O-CB 3.47Å; S57-R60 PolarHBondContact O-N 3.36Å
58R63.8Low61.8Low167 Ų167115.7 Ų115.763%0.6364%0.644SS**G310 helixtrans-58.6-32.2-172.3-152.6171.8-168.1140.72.9113.1V56 R60 L61 Y64V56-R58 PolarHBondContact O-N 2.73Å; R58-R60 PolarHBondContact O-N 3.29Å; R58-L61 PolarHBondContact O-N 3.24Å; R58-Y64 HydrophobicContact CG-CD2 4.02Å; R58-Y64 HydrophobicContact CG-CE2 4.5Å; R58-Y64 HydrophobicContact CG-CG 4.31Å
59D63.5Low62.2Low130 Ų130113.3 Ų113.370%0.69565%0.649SS**G310 helixtrans-76.5-8.1179.3-36.8-70.7000113.6S57 V65S57-D59 PolarHBondContact O-N 2.76Å; S57-D59 VanDerWaalsContact O-N 3.12Å; D59-V65 HydrophobicContact CB-CG2 4.46Å
60R62.7Low62.2Low203 Ų203109.5 Ų109.577%0.76664%0.638SS**G310 helixtrans-97.51.1170.3-67.3-168.9175.3-146.40.1113.2V56 S57 R58V56-R60 HydrophobicContact CG1-CB 4.16Å; S57-R60 WeakPolarHBondContact O-CB 3.47Å; S57-R60 PolarHBondContact O-N 3.36Å; R58-R60 PolarHBondContact O-N 3.29Å
61L67.4Low62.4Low61 Ų61112.8 Ų112.832%0.31965%0.645SS.*  trans-91113.9170-91.565.5000109.7V56 R58 V63 Y64 V65V56-L61 HydrophobicContact CB-CD1 3.94Å; V56-L61 HydrophobicContact CG1-CD1 3.5Å; R58-L61 PolarHBondContact O-N 3.24Å; L61-V63 PolarHBondContact O-N 3.05Å; L61-Y64 HydrophobicContact CB-CD2 3.94Å; L61-Y64 HydrophobicContact CD2-CD2 4.02Å; L61-Y64 HydrophobicContact CD2-CE2 3.93Å; L61-Y64 PolarHBondContact O-N 3.06Å; L61-V65 PolarHBondContact O-N 2.81Å
62N62.4Low62.9Low125 Ų125114.5 Ų114.567%0.66866%0.656SS**THydrogen-bonded Turntrans-56.9-8.4172.6-60-6.7000114
63V71.4Confident63.1Low121 Ų121115.2 Ų115.273%0.73365%0.652SS**THydrogen-bonded Turntrans-77.8-29.6174.4-176.80000112.3L61L61-V63 PolarHBondContact O-N 3.05Å
64Y64.3Low63.2Low133 Ų133117.4 Ų117.452%0.52266%0.655SS.*THydrogen-bonded Turntrans-109.9-22.5-173.8-67.8-71.7000114R58 L61R58-Y64 HydrophobicContact CG-CD2 4.02Å; R58-Y64 HydrophobicContact CG-CE2 4.5Å; R58-Y64 HydrophobicContact CG-CG 4.31Å; L61-Y64 HydrophobicContact CB-CD2 3.94Å; L61-Y64 HydrophobicContact CD2-CD2 4.02Å; L61-Y64 HydrophobicContact CD2-CE2 3.93Å; L61-Y64 PolarHBondContact O-N 3.06Å
65V63Low63.6Low67 Ų67120.8 Ų120.841%0.40666%0.663SS.*SBendtrans-119.4109.5174.8-176.80000108.7D59 L61 L67D59-V65 HydrophobicContact CB-CG2 4.46Å; L61-V65 PolarHBondContact O-N 2.81Å; V65-L67 PolarHBondContact O-N 2.83Å
66P56.8Low63.8Low114 Ų114119 Ų11974%0.7466%0.658SS**  trans-67.5128.6173.627.8-32.7000109.6
67L60.6Low64.1Low110 Ų110120.1 Ų120.158%0.57667%0.667SS**  trans-59.5130.5177.7-84.2135.5000110.7V65 S69 A70V65-L67 PolarHBondContact O-N 2.83Å; L67-S69 PolarHBondContact O-N 2.93Å; L67-A70 HydrophobicContact CB-CB 4.15Å
68P57.5Low64.4Low120 Ų120125.6 Ų125.678%0.77969%0.685SS**THydrogen-bonded Turntrans-70.498.9176.428.7-33.6000109.9
69S58.6Low64.7Low124 Ų124122.3 Ų122.387%0.86769%0.687SS**THydrogen-bonded Turntrans53.956173.5-54.90000114.4L67 D71L67-S69 PolarHBondContact O-N 2.93Å; S69-D71 PolarHBondContact O-N 3.44Å
70A59.7Low65.1Low71 Ų71119.1 Ų119.159%0.58767%0.674SS**PPolyproline II helixtrans-63129.5166.300000110.4L67L67-A70 HydrophobicContact CB-CB 4.15Å
71D63.7Low66Low146 Ų146111 Ų11178%0.78165%0.653SS**PPolyproline II helixtrans-54.3150.4168.9-85.5-51000110.9S69S69-D71 PolarHBondContact O-N 3.44Å
72P68.6Low66.7Low103 Ų103115.8 Ų115.867%0.66968%0.678SS**PPolyproline II helixtrans-55.5144.1177.224.8-34.8000110.6K74P72-K74 PolarHBondContact O-N 2.9Å
73P61.6Low67.8Low125 Ų125115.4 Ų115.481%0.81268%0.675SS**  trans-61.495.6-169.224.2-34.7000111.4V75P73-V75 PolarHBondContact O-N 3.15Å
74K64.7Low68.5Low184 Ų184114.8 Ų114.880%0.866%0.664SS**  trans-69.9101.4178-177.1176.7-177.8176.30108.1P72 V76P72-K74 PolarHBondContact O-N 2.9Å; K74-V76 VanDerWaalsContact C-N 3.34Å; K74-V76 PolarHBondContact O-N 3.39Å
75V70.1Confident69.5Low134 Ų134114.7 Ų114.781%0.81266%0.662SS**  trans-58.999170.8-179.70000107.9P73 P77P73-V75 PolarHBondContact O-N 3.15Å; V75-P77 WeakPolarHBondContact O-CD 3.18Å
76V68.8Low70.7Confident103 Ų103113.1 Ų113.162%0.62466%0.66SS**  trans-75.7122.5169.7178.40000106K74 E78K74-V76 VanDerWaalsContact C-N 3.34Å; K74-V76 PolarHBondContact O-N 3.39Å; V76-E78 PolarHBondContact O-N 3.16Å
77P72.3Confident72.2Confident115 Ų115113.6 Ų113.675%0.74766%0.656SS**  trans-60.5115.1170.4-19.231.9000107.9V75 S79V75-P77 WeakPolarHBondContact O-CD 3.18Å; P77-S79 PolarHBondContact O-N 3.3Å; P77-S79 VanDerWaalsContact O-N 3.07Å
78E70.6Confident73.5Confident182 Ų182111.7 Ų111.785%0.8565%0.649SS**  trans-58.8118.5-179.7-65.5-164.5140.900108.5V76 P80V76-E78 PolarHBondContact O-N 3.16Å; E78-P80 VanDerWaalsContact O-CD 3.31Å; E78-P80 WeakPolarHBondContact O-CD 3.44Å; E78-P80 VanDerWaalsContact O-N 3.14Å
79S71Confident75Confident97 Ų97110.2 Ų110.268%0.67864%0.638SS**  trans-69.9115.2-175.2630000107.6P77 G81P77-S79 PolarHBondContact O-N 3.3Å; P77-S79 VanDerWaalsContact O-N 3.07Å; S79-G81 PolarHBondContact O-N 3.21Å
80P72.6Confident76.6Confident64 Ų64108.1 Ų108.142%0.41662%0.62SS.*  trans-57.6132.8-162.717.4-31.2000110.7E78 E84 R85E78-P80 VanDerWaalsContact O-CD 3.31Å; E78-P80 WeakPolarHBondContact O-CD 3.44Å; E78-P80 VanDerWaalsContact O-N 3.14Å; P80-E84 VanDerWaalsContact CA-OE2 3.24Å; P80-E84 WeakPolarHBondContact CA-OE2 3.46Å; P80-E84 HydrophobicContact CB-CB 4.28Å; P80-R85 HydrophobicContact CB-CG 4.16Å; P80-R85 HydrophobicContact CG-CG 4.22Å; P80-R85 PolarHBondContact O-NE 2.95Å; P80-R85 PolarHBondContact O-NH2 2.93Å
81G81.3Confident78.1Confident31 Ų31113.6 Ų113.632%0.3263%0.625SS.*  trans-62.3162.1-174.300000112.2S79 I83 E84 R85S79-G81 PolarHBondContact O-N 3.21Å; G81-I83 PolarHBondContact O-N 3.04Å; G81-E84 PolarHBondContact N-OE2 2.66Å; G81-E84 PolarHBondContact O-N 3.18Å; G81-R85 PolarHBondContact O-N 3.05Å
82L81.8Confident79.5Confident163 Ų163112.9 Ų112.985%0.85362%0.617SS**Hα-helixtrans-59.8-33.9-175.6-157.273.3000112.3G86L82-G86 PolarHBondContact O-N 2.92Å
83I84.4Confident80.6Confident116 Ų116111.7 Ų111.760%0.59561%0.612SS**Hα-helixtrans-72.8-42175.4-60.3176.9000111.1I42 G81 G86 L87I42-I83 HydrophobicContact CD1-CD1 3.89Å; G81-I83 PolarHBondContact O-N 3.04Å; I83-G86 PolarHBondContact O-N 3.47Å; I83-G86 VanDerWaalsContact O-N 3.16Å; I83-L87 PolarHBondContact O-N 2.82Å
84E86.4Confident82.1Confident109 Ų109109.2 Ų109.251%0.50959%0.594SS.*Hα-helixtrans-63.4-44.5179.9-58.7178.8148.400111.2P80 G81 G86 L87 T88P80-E84 VanDerWaalsContact CA-OE2 3.24Å; P80-E84 WeakPolarHBondContact CA-OE2 3.46Å; P80-E84 HydrophobicContact CB-CB 4.28Å; G81-E84 PolarHBondContact N-OE2 2.66Å; G81-E84 PolarHBondContact O-N 3.18Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 3.43Å; E84-L87 PolarHBondContact O-N 3.32Å; E84-L87 VanDerWaalsContact O-N 3.15Å; E84-T88 WeakPolarHBondContact O-CG2 3.24Å; E84-T88 PolarHBondContact O-N 2.75Å; E84-T88 PolarHBondContact O-OG1 3.23Å
85R85.9Confident83.5Confident130 Ų130103.4 Ų103.449%0.49157%0.571SS.*Hα-helixtrans-60.2-38.3173.3-64.8-177-161.3-154.51.3112.3P80 G81 T88 T89P80-R85 HydrophobicContact CB-CG 4.16Å; P80-R85 HydrophobicContact CG-CG 4.22Å; P80-R85 PolarHBondContact O-NE 2.95Å; P80-R85 PolarHBondContact O-NH2 2.93Å; G81-R85 PolarHBondContact O-N 3.05Å; R85-T88 PolarHBondContact O-OG1 3.1Å; R85-T89 VanDerWaalsContact O-CB 3.25Å; R85-T89 WeakPolarHBondContact O-CB 3.49Å; R85-T89 PolarHBondContact O-N 3.18Å; R85-T89 PolarHBondContact O-OG1 3.44Å
86G87.7Confident84.5Confident35 Ų35100.5 Ų100.536%0.36156%0.555SS.*Hα-helixtrans-63.5-44.3174.200000111.9L82 I83 E84 T90L82-G86 PolarHBondContact O-N 2.92Å; I83-G86 PolarHBondContact O-N 3.47Å; I83-G86 VanDerWaalsContact O-N 3.16Å; E84-G86 VanDerWaalsContact C-N 3.29Å; E84-G86 PolarHBondContact O-N 3.43Å; G86-T90 WeakPolarHBondContact O-CB 3.36Å; G86-T90 PolarHBondContact O-N 3.25Å; G86-T90 PolarHBondContact O-OG1 2.93Å
87L88.8Confident85.5Confident124 Ų12498.3 Ų98.365%0.64955%0.548SS*.Hα-helixtrans-69.6-43.1-179.7-174.260.9000112.6I83 E84 T90 R91I83-L87 PolarHBondContact O-N 2.82Å; E84-L87 PolarHBondContact O-N 3.32Å; E84-L87 VanDerWaalsContact O-N 3.15Å; L87-T90 PolarHBondContact O-N 3.12Å; L87-R91 WeakPolarHBondContact O-CB 3.25Å; L87-R91 PolarHBondContact O-N 2.7Å
88T87.4Confident86.5Confident69 Ų6996.9 Ų96.942%0.42354%0.537SS..Hα-helixtrans-65-48175.956.20000111.3E84 R85 T90 R91 E92E84-T88 WeakPolarHBondContact O-CG2 3.24Å; E84-T88 PolarHBondContact O-N 2.75Å; E84-T88 PolarHBondContact O-OG1 3.23Å; R85-T88 PolarHBondContact O-OG1 3.1Å; T88-T90 VanDerWaalsContact C-N 3.28Å; T88-T90 PolarHBondContact O-N 3.31Å; T88-R91 WeakPolarHBondContact O-CB 3.37Å; T88-R91 PolarHBondContact O-N 3.47Å; T88-R91 VanDerWaalsContact O-N 3.12Å; T88-E92 WeakPolarHBondContact O-CB 3.31Å; T88-E92 WeakPolarHBondContact O-CG 3.3Å; T88-E92 PolarHBondContact O-N 2.94Å
89T88.9Confident87.6Confident89 Ų8996 Ų9655%0.54653%0.526SS..Hα-helixtrans-57.1-43176.5-54.50000111.3R85 E92 S93R85-T89 VanDerWaalsContact O-CB 3.25Å; R85-T89 WeakPolarHBondContact O-CB 3.49Å; R85-T89 PolarHBondContact O-N 3.18Å; R85-T89 PolarHBondContact O-OG1 3.44Å; T89-E92 PolarHBondContact O-N 3.38Å; T89-S93 WeakPolarHBondContact O-CB 3.5Å; T89-S93 PolarHBondContact O-N 3.31Å
90T91.6Very high88.7Confident81 Ų8194.4 Ų94.450%0.49752%0.519SS..Hα-helixtrans-62.7-48.8176.5-57.30000110.9G86 L87 T88 E92 S93 V94G86-T90 WeakPolarHBondContact O-CB 3.36Å; G86-T90 PolarHBondContact O-N 3.25Å; G86-T90 PolarHBondContact O-OG1 2.93Å; L87-T90 PolarHBondContact O-N 3.12Å; T88-T90 VanDerWaalsContact C-N 3.28Å; T88-T90 PolarHBondContact O-N 3.31Å; T90-E92 PolarHBondContact O-N 2.93Å; T90-S93 PolarHBondContact O-N 3.01Å; T90-S93 PolarHBondContact O-OG 2.98Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.18Å; T90-V94 VanDerWaalsContact O-N 3.1Å
91R93.1Very high89.8Confident185 Ų18596.3 Ų96.370%0.69853%0.529SS*.Hα-helixtrans-59.3-43.6178-171.8-179.1-174.4-172.22.3112L87 T88 V94 L95L87-R91 WeakPolarHBondContact O-CB 3.25Å; L87-R91 PolarHBondContact O-N 2.7Å; T88-R91 WeakPolarHBondContact O-CB 3.37Å; T88-R91 PolarHBondContact O-N 3.47Å; T88-R91 VanDerWaalsContact O-N 3.12Å; R91-V94 PolarHBondContact O-N 3.33Å; R91-L95 HydrophobicContact CG-CD1 4.35Å; R91-L95 WeakPolarHBondContact O-CB 3.46Å; R91-L95 VanDerWaalsContact O-CG 3.3Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.98Å
92E92.9Very high90.5Very high132 Ų132102.2 Ų102.262%0.61755%0.546SS*.Hα-helixtrans-65.4-38.5177.7-74.7173.3-158.700112.4T88 T89 T90 V94 P96T88-E92 WeakPolarHBondContact O-CB 3.31Å; T88-E92 WeakPolarHBondContact O-CG 3.3Å; T88-E92 PolarHBondContact O-N 2.94Å; T89-E92 PolarHBondContact O-N 3.38Å; T90-E92 PolarHBondContact O-N 2.93Å; E92-V94 VanDerWaalsContact C-N 3.33Å; E92-V94 PolarHBondContact O-N 3.46Å; E92-P96 WeakPolarHBondContact O-CD 3.25Å
93S90.9Very high91.2Very high78 Ų7896.4 Ų96.455%0.54553%0.526SS..Hα-helixtrans-66.8-32.4174.977.70000113.4T89 T90 P96T89-S93 WeakPolarHBondContact O-CB 3.5Å; T89-S93 PolarHBondContact O-N 3.31Å; T90-S93 PolarHBondContact O-N 3.01Å; T90-S93 PolarHBondContact O-OG 2.98Å; S93-P96 WeakPolarHBondContact O-CD 3.3Å; S93-P96 WeakPolarHBondContact O-CG 3.44Å
94V93.9Very high91.7Very high73 Ų7393.5 Ų93.544%0.44252%0.519SS..Hα-helixtrans-85.7-31.3-177.91690000112.3T90 R91 E92 A97 V98T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.18Å; T90-V94 VanDerWaalsContact O-N 3.1Å; R91-V94 PolarHBondContact O-N 3.33Å; E92-V94 VanDerWaalsContact C-N 3.33Å; E92-V94 PolarHBondContact O-N 3.46Å; V94-A97 WeakPolarHBondContact O-CB 3.44Å; V94-A97 PolarHBondContact O-N 2.86Å; V94-A97 VanDerWaalsContact O-N 3.07Å; V94-V98 HydrophobicContact CG1-CG2 3.68Å; V94-V98 PolarHBondContact O-N 3.39Å
95L93.7Very high91.9Very high61 Ų6192.4 Ų92.432%0.31952%0.522SS..Hα-helixtrans-50-46.7178.1-88.8168.3000115.4R91 V98 R99R91-L95 HydrophobicContact CG-CD1 4.35Å; R91-L95 WeakPolarHBondContact O-CB 3.46Å; R91-L95 VanDerWaalsContact O-CG 3.3Å; R91-L95 WeakPolarHBondContact O-CG 3.43Å; R91-L95 PolarHBondContact O-N 2.98Å; L95-V98 PolarHBondContact O-N 3.49Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 VanDerWaalsContact O-CG 3.25Å; L95-R99 WeakPolarHBondContact O-CG 3.02Å; L95-R99 PolarHBondContact O-N 3.36Å
96P90.5Very high92.4Very high73 Ų7389.9 Ų89.947%0.47452%0.521SS..Hα-helixtrans-65.7-36.1176.525.5-34.3000112.6E92 S93 R99 A100E92-P96 WeakPolarHBondContact O-CD 3.25Å; S93-P96 WeakPolarHBondContact O-CD 3.3Å; S93-P96 WeakPolarHBondContact O-CG 3.44Å; P96-R99 PolarHBondContact O-N 2.86Å; P96-A100 WeakPolarHBondContact O-CB 3.34Å; P96-A100 PolarHBondContact O-N 2.87Å
97A90.4Very high92.6Very high57 Ų5791.8 Ų91.847%0.47153%0.529SS..Hα-helixtrans-66-44.5175.600000111.5V94 R99 A100 V101V94-A97 WeakPolarHBondContact O-CB 3.44Å; V94-A97 PolarHBondContact O-N 2.86Å; V94-A97 VanDerWaalsContact O-N 3.07Å; A97-R99 PolarHBondContact O-N 3.35Å; A97-A100 PolarHBondContact O-N 2.85Å; A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.37Å
98V93.3Very high93Very high85 Ų8590.7 Ų90.752%0.51553%0.527SS..Hα-helixtrans-63.5-40.3175.5174.10000111.5V94 L95 V101 K102V94-V98 HydrophobicContact CG1-CG2 3.68Å; V94-V98 PolarHBondContact O-N 3.39Å; L95-V98 PolarHBondContact O-N 3.49Å; V98-V101 PolarHBondContact O-N 2.89Å; V98-K102 WeakPolarHBondContact O-CB 3.38Å; V98-K102 PolarHBondContact O-N 2.9Å
99R93.1Very high93.4Very high163 Ų16394.8 Ų94.862%0.61554%0.539SS*.Hα-helixtrans-62.6-43.5173.4-73.1170.5-174.7142.2-1.3111.8L95 P96 A97 K102 G103L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 VanDerWaalsContact O-CG 3.25Å; L95-R99 WeakPolarHBondContact O-CG 3.02Å; L95-R99 PolarHBondContact O-N 3.36Å; P96-R99 PolarHBondContact O-N 2.86Å; A97-R99 PolarHBondContact O-N 3.35Å; R99-K102 PolarHBondContact O-N 3.25Å; R99-G103 PolarHBondContact O-N 2.9Å
100A94.8Very high93.7Very high65 Ų6598.6 Ų98.654%0.53754%0.543SS..Hα-helixtrans-63.2-43.5176.600000112P96 A97 G103 A104P96-A100 WeakPolarHBondContact O-CB 3.34Å; P96-A100 PolarHBondContact O-N 2.87Å; A97-A100 PolarHBondContact O-N 2.85Å; A100-G103 PolarHBondContact O-N 3.48Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 3.43Å
101V95.5Very high93.8Very high103 Ų10398.2 Ų98.262%0.62454%0.544SS*.Hα-helixtrans-66.1-40.9175.7172.60000111.7A97 V98 A104 C105A97-V101 WeakPolarHBondContact O-CG2 3.44Å; A97-V101 PolarHBondContact O-N 3.37Å; V98-V101 PolarHBondContact O-N 2.89Å; V101-A104 PolarHBondContact O-N 3.43Å; V101-C105 VanDerWaalsContact O-CB 3.32Å; V101-C105 WeakPolarHBondContact O-CB 3.37Å; V101-C105 PolarHBondContact O-N 3.07Å
102K95.7Very high93.9Very high155 Ų15591.5 Ų91.567%0.67453%0.525SS*.Hα-helixtrans-61-45.4173.4-173178.2-179.5-178.30111.1V98 R99 C105 V106V98-K102 WeakPolarHBondContact O-CB 3.38Å; V98-K102 PolarHBondContact O-N 2.9Å; R99-K102 PolarHBondContact O-N 3.25Å; K102-C105 PolarHBondContact O-N 3.47Å; K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.86Å
103G95.3Very high94Very high42 Ų4288.5 Ų88.543%0.43352%0.516SS..Hα-helixtrans-61.7-43.5175.400000112.9R99 A100 V106 S107R99-G103 PolarHBondContact O-N 2.9Å; A100-G103 PolarHBondContact O-N 3.48Å; G103-V106 PolarHBondContact O-N 3.15Å; G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.32Å; G103-S107 PolarHBondContact O-N 2.87Å
104A95.3Very high94.2Very high55 Ų5589.7 Ų89.746%0.45552%0.516SS..Hα-helixtrans-63.6-42.8175.100000112.1A100 V101 S107 V108A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 3.43Å; V101-A104 PolarHBondContact O-N 3.43Å; A104-S107 WeakPolarHBondContact O-CB 3.26Å; A104-S107 PolarHBondContact O-N 2.93Å; A104-V108 WeakPolarHBondContact O-CG2 3.38Å; A104-V108 PolarHBondContact O-N 3.37Å
105C91.6Very high94.3Very high85 Ų8592.2 Ų92.257%0.57453%0.527SS*.Hα-helixtrans-62.4-46.4176.6-177.40000112.1V101 K102 S107 V108 K109V101-C105 VanDerWaalsContact O-CB 3.32Å; V101-C105 WeakPolarHBondContact O-CB 3.37Å; V101-C105 PolarHBondContact O-N 3.07Å; K102-C105 PolarHBondContact O-N 3.47Å; C105-S107 VanDerWaalsContact C-N 3.32Å; C105-S107 PolarHBondContact O-N 2.9Å; C105-V108 PolarHBondContact O-N 3.07Å; C105-K109 PolarHBondContact O-N 3.34Å
106V94.9Very high94.4Very high77 Ų7797.6 Ų97.647%0.46754%0.544SS..Hα-helixtrans-63.8-37.9174.4172.90000111.3K102 G103 K109 R110K102-V106 WeakPolarHBondContact O-CG2 3.46Å; K102-V106 PolarHBondContact O-N 2.86Å; G103-V106 PolarHBondContact O-N 3.15Å; V106-K109 PolarHBondContact O-N 2.87Å; V106-R110 PolarHBondContact O-N 3.34Å
107S93.6Very high94.6Very high75 Ų7599 Ų9952%0.52454%0.544SS..Hα-helixtrans-63.4-44.9174.6-171.20000111.9G103 A104 C105 K109 R110 S111G103-S107 VanDerWaalsContact O-CB 3.26Å; G103-S107 WeakPolarHBondContact O-CB 3.32Å; G103-S107 PolarHBondContact O-N 2.87Å; A104-S107 WeakPolarHBondContact O-CB 3.26Å; A104-S107 PolarHBondContact O-N 2.93Å; C105-S107 VanDerWaalsContact C-N 3.32Å; C105-S107 PolarHBondContact O-N 2.9Å; S107-K109 PolarHBondContact O-N 3.13Å; S107-R110 PolarHBondContact O-N 2.87Å; S107-S111 WeakPolarHBondContact O-CB 3.44Å; S107-S111 PolarHBondContact O-N 2.95Å
108V97Very high94.8Very high101 Ų10198.5 Ų98.561%0.61254%0.54SS*.Hα-helixtrans-61.2-43.9174.2169.10000111.1A104 C105 R110 S111 S112A104-V108 WeakPolarHBondContact O-CG2 3.38Å; A104-V108 PolarHBondContact O-N 3.37Å; C105-V108 PolarHBondContact O-N 3.07Å; V108-R110 PolarHBondContact O-N 2.96Å; V108-S111 PolarHBondContact O-N 3.36Å; V108-S112 PolarHBondContact O-N 3.48Å; V108-S112 PolarHBondContact O-OG 3.14Å
109K95.2Very high94.9Very high155 Ų15596.2 Ų96.267%0.67453%0.534SS*.Hα-helixtrans-65.9-34.1178.1-171.5173.2-179.41780113.2C105 V106 S107 S112 V113C105-K109 PolarHBondContact O-N 3.34Å; V106-K109 PolarHBondContact O-N 2.87Å; S107-K109 PolarHBondContact O-N 3.13Å; K109-S112 PolarHBondContact O-OG 3.49Å; K109-S112 VanDerWaalsContact O-OG 3.07Å; K109-V113 WeakPolarHBondContact O-CG2 3.42Å
110R95.4Very high95Very high170 Ų17092.6 Ų92.664%0.64252%0.524SS*.Hα-helixtrans-73.7-39.8171.3-179.8173.1-78.4135.5-5.9111.6V106 S107 V108 S112 V113 N114V106-R110 PolarHBondContact O-N 3.34Å; S107-R110 PolarHBondContact O-N 2.87Å; V108-R110 PolarHBondContact O-N 2.96Å; R110-S112 PolarHBondContact O-N 2.89Å; R110-V113 PolarHBondContact O-N 2.83Å; R110-N114 WeakPolarHBondContact O-CB 3.41Å; R110-N114 PolarHBondContact O-N 3.26Å; R110-N114 PolarHBondContact O-OD1 3.46Å; R110-N114 VanDerWaalsContact O-OD1 3.14Å
111S94Very high94.9Very high73 Ų7395 Ų9551%0.5153%0.528SS..Hα-helixtrans-62-41.1178.4-169.60000111.9S107 V108 N114 L115S107-S111 WeakPolarHBondContact O-CB 3.44Å; S107-S111 PolarHBondContact O-N 2.95Å; V108-S111 PolarHBondContact O-N 3.36Å; S111-N114 PolarHBondContact O-N 2.98Å; S111-L115 VanDerWaalsContact O-CB 3.25Å; S111-L115 WeakPolarHBondContact O-CB 3.43Å; S111-L115 PolarHBondContact O-N 3.35Å
112S94.3Very high94.7Very high44 Ų4494.1 Ų94.131%0.30852%0.522SS..Hα-helixtrans-65.4-44.117658.40000112.4V108 K109 R110 L115 Y116V108-S112 PolarHBondContact O-N 3.48Å; V108-S112 PolarHBondContact O-OG 3.14Å; K109-S112 PolarHBondContact O-OG 3.49Å; K109-S112 VanDerWaalsContact O-OG 3.07Å; R110-S112 PolarHBondContact O-N 2.89Å; S112-L115 PolarHBondContact O-N 3.24Å; S112-L115 VanDerWaalsContact O-N 3.15Å; S112-Y116 WeakPolarHBondContact O-CD2 3.18Å; S112-Y116 PolarHBondContact O-N 2.79Å
113V96Very high94.6Very high68 Ų6893.5 Ų93.541%0.41252%0.517SS..Hα-helixtrans-60.7-46.3174.9173.80000111.4K109 R110 L115 Y116 H117K109-V113 WeakPolarHBondContact O-CG2 3.42Å; R110-V113 PolarHBondContact O-N 2.83Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 2.85Å; V113-Y116 PolarHBondContact O-N 2.84Å; V113-H117 PolarHBondContact O-CD2 3.27Å; V113-H117 PolarHBondContact O-N 3.5Å; V113-H117 VanDerWaalsContact O-N 3.13Å
114N95.3Very high94.4Very high104 Ų10497.9 Ų97.956%0.55652%0.521SS*.Hα-helixtrans-62.2-33.2174.9-75.636.2000112.5R110 S111 A118R110-N114 WeakPolarHBondContact O-CB 3.41Å; R110-N114 PolarHBondContact O-N 3.26Å; R110-N114 PolarHBondContact O-OD1 3.46Å; R110-N114 VanDerWaalsContact O-OD1 3.14Å; S111-N114 PolarHBondContact O-N 2.98Å; N114-A118 WeakPolarHBondContact O-CB 3.03Å; N114-A118 PolarHBondContact O-N 3.11Å
115L94.6Very high94.2Very high126 Ų12699.7 Ų99.766%0.6652%0.517SS*.Hα-helixtrans-75.6-33.7177.6-176.162.7000112.5S111 S112 V113 G119S111-L115 VanDerWaalsContact O-CB 3.25Å; S111-L115 WeakPolarHBondContact O-CB 3.43Å; S111-L115 PolarHBondContact O-N 3.35Å; S112-L115 PolarHBondContact O-N 3.24Å; S112-L115 VanDerWaalsContact O-N 3.15Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 2.85Å; L115-G119 PolarHBondContact O-N 3.14Å
116Y95.8Very high94Very high173 Ų173100.7 Ų100.768%0.67852%0.516SS*.Hα-helixtrans-62.5-52.7171.8-74-60.2000110.5S112 V113 A118 G119 E120S112-Y116 WeakPolarHBondContact O-CD2 3.18Å; S112-Y116 PolarHBondContact O-N 2.79Å; V113-Y116 PolarHBondContact O-N 2.84Å; Y116-A118 PolarHBondContact O-N 3.41Å; Y116-G119 CarbonylContact O-C 3.5Å; Y116-G119 WeakPolarHBondContact O-CA 3.25Å; Y116-G119 PolarHBondContact O-N 3.1Å; Y116-G119 VanDerWaalsContact O-N 3.1Å; Y116-E120 WeakPolarHBondContact O-CB 3.21Å; Y116-E120 PolarHBondContact O-N 3.44Å
117H95.6Very high93.7Very high102 Ų102101.4 Ų101.447%0.47252%0.516SS..Hα-helixtrans-66.4-38.8178.8-65.2-52.3000112.9V113 G119 E120 D121V113-H117 PolarHBondContact O-CD2 3.27Å; V113-H117 PolarHBondContact O-N 3.5Å; V113-H117 VanDerWaalsContact O-N 3.13Å; H117-G119 PolarHBondContact O-N 2.94Å; H117-E120 IonicContact CE1-OE2 3.72Å; H117-E120 IonicContact CG-OE2 3.98Å; H117-E120 IonicContact ND1-OE2 2.9Å; H117-E120 PolarHBondContact ND1-OE2 3.16Å; H117-E120 WeakPolarHBondContact O-CB 3.36Å; H117-E120 PolarHBondContact O-N 2.82Å; H117-E120 VanDerWaalsContact O-N 3.14Å; H117-D121 WeakPolarHBondContact O-CB 3.43Å; H117-D121 VanDerWaalsContact O-CG 3.28Å; H117-D121 PolarHBondContact O-N 3.14Å
118A94.9Very high93.5Very high47 Ų47104 Ų10439%0.38852%0.524SS..Hα-helixtrans-65.5-25.817300000113.2N114 Y116 V122N114-A118 WeakPolarHBondContact O-CB 3.03Å; N114-A118 PolarHBondContact O-N 3.11Å; Y116-A118 PolarHBondContact O-N 3.41Å; A118-V122 VanDerWaalsContact O-CG2 3.25Å; A118-V122 WeakPolarHBondContact O-CG2 3.48Å; A118-V122 PolarHBondContact O-N 3.27Å
119G95.4Very high92.9Very high38 Ų38101.8 Ų101.839%0.39251%0.512SS..Hα-helixtrans-76-37.9170.600000112.7L115 Y116 H117 V122 Y123L115-G119 PolarHBondContact O-N 3.14Å; Y116-G119 CarbonylContact O-C 3.5Å; Y116-G119 WeakPolarHBondContact O-CA 3.25Å; Y116-G119 PolarHBondContact O-N 3.1Å; Y116-G119 VanDerWaalsContact O-N 3.1Å; H117-G119 PolarHBondContact O-N 2.94Å; G119-V122 PolarHBondContact O-N 2.84Å; G119-Y123 VanDerWaalsContact O-CB 3.27Å; G119-Y123 WeakPolarHBondContact O-CB 3.27Å; G119-Y123 PolarHBondContact O-N 3.01Å
120E94.3Very high92.3Very high86 Ų8697 Ų9740%0.40250%0.496SS..Hα-helixtrans-65.2-47.3175.4-174.7173.5-15400111.7Y116 H117 V122 Y123 Y124Y116-E120 WeakPolarHBondContact O-CB 3.21Å; Y116-E120 PolarHBondContact O-N 3.44Å; H117-E120 IonicContact CE1-OE2 3.72Å; H117-E120 IonicContact CG-OE2 3.98Å; H117-E120 IonicContact ND1-OE2 2.9Å; H117-E120 PolarHBondContact ND1-OE2 3.16Å; H117-E120 WeakPolarHBondContact O-CB 3.36Å; H117-E120 PolarHBondContact O-N 2.82Å; H117-E120 VanDerWaalsContact O-N 3.14Å; E120-V122 VanDerWaalsContact C-N 3.29Å; E120-V122 PolarHBondContact O-N 3.29Å; E120-Y123 WeakPolarHBondContact O-CB 3.47Å; E120-Y123 PolarHBondContact O-N 2.92Å; E120-Y123 VanDerWaalsContact O-N 3.11Å; E120-Y124 HydrophobicContact CG-CD2 3.89Å; E120-Y124 HydrophobicContact CG-CE2 3.6Å; E120-Y124 VanDerWaalsContact O-CD2 3.3Å; E120-Y124 WeakPolarHBondContact O-CD2 3.16Å; E120-Y124 PolarHBondContact O-N 3.12Å
121D92.4Very high91.5Very high117 Ų11795.3 Ų95.363%0.62651%0.508SS*.Hα-helixtrans-52.4-47.2171.5-73.1-32.1000111.2H117 Y125H117-D121 WeakPolarHBondContact O-CB 3.43Å; H117-D121 VanDerWaalsContact O-CG 3.28Å; H117-D121 PolarHBondContact O-N 3.14Å; D121-Y125 WeakPolarHBondContact O-CB 3.37Å; D121-Y125 PolarHBondContact O-N 3.04Å; D121-Y125 VanDerWaalsContact O-N 3.14Å
122V92.6Very high90.8Very high84 Ų8493.4 Ų93.451%0.50950%0.5SS..Hα-helixtrans-71.1-34.1179.1169.30000111.9A118 G119 E120 L126A118-V122 VanDerWaalsContact O-CG2 3.25Å; A118-V122 WeakPolarHBondContact O-CG2 3.48Å; A118-V122 PolarHBondContact O-N 3.27Å; G119-V122 PolarHBondContact O-N 2.84Å; E120-V122 VanDerWaalsContact C-N 3.29Å; E120-V122 PolarHBondContact O-N 3.29Å; V122-L126 HydrophobicContact CG1-CD1 3.83Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CD1 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 3.41Å
123Y92.8Very high90.5Very high141 Ų14192.8 Ų92.855%0.55349%0.491SS*.Hα-helixtrans-65.9-52.7178.3172.6-101.8000111.7G119 E120 Y125 L126 I127G119-Y123 VanDerWaalsContact O-CB 3.27Å; G119-Y123 WeakPolarHBondContact O-CB 3.27Å; G119-Y123 PolarHBondContact O-N 3.01Å; E120-Y123 WeakPolarHBondContact O-CB 3.47Å; E120-Y123 PolarHBondContact O-N 2.92Å; E120-Y123 VanDerWaalsContact O-N 3.11Å; Y123-Y125 VanDerWaalsContact C-N 3.31Å; Y123-Y125 PolarHBondContact O-N 3.14Å; Y123-L126 PolarHBondContact O-N 2.97Å; Y123-L126 VanDerWaalsContact O-N 3.12Å; Y123-I127 HydrophobicContact CD1-CD1 4.08Å; Y123-I127 HydrophobicContact CD2-CD1 4.22Å; Y123-I127 HydrophobicContact CE1-CD1 3.55Å; Y123-I127 HydrophobicContact CE2-CD1 3.7Å; Y123-I127 HydrophobicContact CG-CD1 4.4Å; Y123-I127 PolarHBondContact O-N 3.45Å; Y123-I127 VanDerWaalsContact O-N 3.14Å
124Y92.3Very high90.1Very high134 Ų13493.2 Ų93.253%0.52550%0.496SS..Hα-helixtrans-62.3-39.6176-73.4-67.5000111.7E120 L126 I127 D128E120-Y124 HydrophobicContact CG-CD2 3.89Å; E120-Y124 HydrophobicContact CG-CE2 3.6Å; E120-Y124 VanDerWaalsContact O-CD2 3.3Å; E120-Y124 WeakPolarHBondContact O-CD2 3.16Å; E120-Y124 PolarHBondContact O-N 3.12Å; Y124-L126 PolarHBondContact O-N 2.98Å; Y124-I127 PolarHBondContact O-N 3.33Å; Y124-I127 VanDerWaalsContact O-N 3.16Å; Y124-D128 PolarHBondContact O-N 2.97Å
125Y89.3Confident89.9Confident94 Ų9492.5 Ų92.537%0.36950%0.497SS..Hα-helixtrans-65-22.7176-172-91000114.2D121 Y123 P129 P130 F133D121-Y125 WeakPolarHBondContact O-CB 3.37Å; D121-Y125 PolarHBondContact O-N 3.04Å; D121-Y125 VanDerWaalsContact O-N 3.14Å; Y123-Y125 VanDerWaalsContact C-N 3.31Å; Y123-Y125 PolarHBondContact O-N 3.14Å; Y125-P129 WeakPolarHBondContact O-CA 3.25Å; Y125-P130 HydrophobicContact CD2-CG 4.48Å; Y125-P130 HydrophobicContact CE2-CG 3.58Å; Y125-F133 HydrophobicContact CE1-CD1 4.34Å; Y125-F133 AromaticContact CE1-CD2 3.58Å; Y125-F133 HydrophobicContact CE1-CD2 3.58Å; Y125-F133 HydrophobicContact CE1-CE1 4.29Å; Y125-F133 AromaticContact CE1-CE2 3.56Å; Y125-F133 HydrophobicContact CE1-CE2 3.56Å; Y125-F133 HydrophobicContact CE1-CG 4.01Å; Y125-F133 AromaticContact CE1-CZ 3.92Å; Y125-F133 HydrophobicContact CE1-CZ 3.92Å; Y125-F133 AromaticContact CZ-CD2 3.88Å; Y125-F133 WeakPolarHBondContact OH-CD2 3.21Å
126L87.9Confident89.7Confident106 Ų10691.9 Ų91.956%0.55549%0.486SS*.Hα-helixtrans-86.5-25.1174.1-76.4168.4000113.2V122 Y123 Y124 F133V122-L126 HydrophobicContact CG1-CD1 3.83Å; V122-L126 HydrophobicContact CG1-CG 4.42Å; V122-L126 WeakPolarHBondContact O-CB 3.48Å; V122-L126 WeakPolarHBondContact O-CD1 3.46Å; V122-L126 WeakPolarHBondContact O-CG 3.3Å; V122-L126 PolarHBondContact O-N 3.41Å; Y123-L126 PolarHBondContact O-N 2.97Å; Y123-L126 VanDerWaalsContact O-N 3.12Å; Y124-L126 PolarHBondContact O-N 2.98Å; L126-F133 HydrophobicContact CD2-CE1 4.42Å
127I90Very high89.4Confident92 Ų9288.8 Ų88.847%0.47248%0.476SS..Hα-helixtrans-82-47.6176.7-70.6174.4000110.9Y123 Y124 P129Y123-I127 HydrophobicContact CD1-CD1 4.08Å; Y123-I127 HydrophobicContact CD2-CD1 4.22Å; Y123-I127 HydrophobicContact CE1-CD1 3.55Å; Y123-I127 HydrophobicContact CE2-CD1 3.7Å; Y123-I127 HydrophobicContact CG-CD1 4.4Å; Y123-I127 PolarHBondContact O-N 3.45Å; Y123-I127 VanDerWaalsContact O-N 3.14Å; Y124-I127 PolarHBondContact O-N 3.33Å; Y124-I127 VanDerWaalsContact O-N 3.16Å; I127-P129 WeakPolarHBondContact O-CD 3.36Å
128D88.4Confident89.3Confident128 Ų12885.2 Ų85.268%0.68447%0.467SS*.SBendtrans-113.867.5178.8-69.8-59.3000111.3Y124Y124-D128 PolarHBondContact O-N 2.97Å
129P83.9Confident89.3Confident55 Ų5586.7 Ų86.736%0.35747%0.471SS..PPolyproline II helixtrans-69133.9-175.228-35.5000111.9Y125 I127 F133Y125-P129 WeakPolarHBondContact O-CA 3.25Å; I127-P129 WeakPolarHBondContact O-CD 3.36Å; P129-F133 HydrophobicContact CB-CB 4.2Å; P129-F133 HydrophobicContact CB-CD1 3.65Å; P129-F133 HydrophobicContact CB-CG 4.28Å
130P82.3Confident89.2Confident54 Ų5485.4 Ų85.435%0.35146%0.456SS..PPolyproline II helixtrans-64.8150.7-179.926.5-34.3000111.9Y125 G132 F133Y125-P130 HydrophobicContact CD2-CG 4.48Å; Y125-P130 HydrophobicContact CE2-CG 3.58Å; P130-G132 PolarHBondContact O-N 3.47Å; P130-F133 HydrophobicContact CG-CB 4.19Å; P130-F133 VanDerWaalsContact O-CB 3.28Å; P130-F133 WeakPolarHBondContact O-CB 3.08Å; P130-F133 PolarHBondContact O-N 3.21Å
131P78.8Confident89.2Confident136 Ų13683.4 Ų83.488%0.88345%0.449SS*.THydrogen-bonded Turntrans-57.4122.3-172.321.2-33000112.1
132G80.9Confident89.4Confident33 Ų3383.8 Ų83.834%0.3445%0.449SS..THydrogen-bonded Turntrans92.2-2.4-176.500000115.7P130 R136P130-G132 PolarHBondContact O-N 3.47Å; G132-R136 WeakPolarHBondContact O-CG 3.41Å
133F86.7Confident89.5Confident31 Ų3180.9 Ų80.914%0.13643%0.434CS..Hα-helixtrans-58.7-53.3170.5171.3-103.7000113.5Y125 L126 P129 P130 R136 F137 Y175Y125-F133 HydrophobicContact CE1-CD1 4.34Å; Y125-F133 AromaticContact CE1-CD2 3.58Å; Y125-F133 HydrophobicContact CE1-CD2 3.58Å; Y125-F133 HydrophobicContact CE1-CE1 4.29Å; Y125-F133 AromaticContact CE1-CE2 3.56Å; Y125-F133 HydrophobicContact CE1-CE2 3.56Å; Y125-F133 HydrophobicContact CE1-CG 4.01Å; Y125-F133 AromaticContact CE1-CZ 3.92Å; Y125-F133 HydrophobicContact CE1-CZ 3.92Å; Y125-F133 AromaticContact CZ-CD2 3.88Å; Y125-F133 WeakPolarHBondContact OH-CD2 3.21Å; L126-F133 HydrophobicContact CD2-CE1 4.42Å; P129-F133 HydrophobicContact CB-CB 4.2Å; P129-F133 HydrophobicContact CB-CD1 3.65Å; P129-F133 HydrophobicContact CB-CG 4.28Å; P130-F133 HydrophobicContact CG-CB 4.19Å; P130-F133 VanDerWaalsContact O-CB 3.28Å; P130-F133 WeakPolarHBondContact O-CB 3.08Å; P130-F133 PolarHBondContact O-N 3.21Å; F133-R136 WeakPolarHBondContact O-CB 3.46Å; F133-R136 PolarHBondContact O-N 3.21Å; F133-F137 HydrophobicContact CE1-CB 4.16Å; F133-F137 HydrophobicContact CE1-CG 4.43Å; F133-F137 HydrophobicContact CE2-CB 3.95Å; F133-F137 HydrophobicContact CE2-CD2 4.12Å; F133-F137 HydrophobicContact CE2-CG 4.37Å; F133-F137 HydrophobicContact CZ-CB 3.74Å; F133-F137 AromaticContact CZ-CD2 3.73Å; F133-F137 HydrophobicContact CZ-CD2 3.73Å; F133-F137 AromaticContact CZ-CG 3.85Å; F133-F137 HydrophobicContact CZ-CG 3.85Å; F133-F137 PolarHBondContact O-N 2.8Å; F133-Y175 WeakPolarHBondContact CD2-OH 3.27Å
134P87.6Confident89.6Confident77 Ų7774.7 Ų74.750%0.541%0.413SS..Hα-helixtrans-57.9-44.2-173.46.5-15.3000114.7R136 F137 G138P134-R136 VanDerWaalsContact C-N 3.35Å; P134-R136 PolarHBondContact O-N 3.04Å; P134-F137 PolarHBondContact O-N 3.08Å; P134-G138 PolarHBondContact O-N 3.32Å
135P91.6Very high89.7Confident89 Ų8972.6 Ų72.658%0.57841%0.41SS*.Hα-helixtrans-58.3-41.6171.9-27.435.4000113.8G138 T139P135-G138 PolarHBondContact O-N 3.49Å; P135-T139 PolarHBondContact O-N 2.82Å; P135-T139 PolarHBondContact O-OG1 2.86Å
136R90.6Very high90Very high113 Ų11372.9 Ų72.943%0.42642%0.418SS..Hα-helixtrans-68.6-37.4179.3-70.3176.7-170.8-177.89.2112.4G132 F133 P134 G138 T139 V140 C174 Y175G132-R136 WeakPolarHBondContact O-CG 3.41Å; F133-R136 WeakPolarHBondContact O-CB 3.46Å; F133-R136 PolarHBondContact O-N 3.21Å; P134-R136 VanDerWaalsContact C-N 3.35Å; P134-R136 PolarHBondContact O-N 3.04Å; R136-G138 VanDerWaalsContact C-N 3.35Å; R136-T139 WeakPolarHBondContact CA-OG1 3.38Å; R136-T139 PolarHBondContact O-OG1 2.94Å; R136-V140 WeakPolarHBondContact O-CB 3.31Å; R136-V140 WeakPolarHBondContact O-CG2 3.44Å; R136-V140 PolarHBondContact O-N 3.41Å; R136-V140 VanDerWaalsContact O-N 3.11Å; R136-C174 HydrophobicContact CB-CB 4.01Å; R136-C174 HydrophobicContact CG-CB 4.07Å; R136-C174 PolarHBondContact NH1-O 3.24Å; R136-Y175 HydrophobicContact CB-CE2 4.08Å; R136-Y175 WeakPolarHBondContact CB-OH 3.32Å; R136-Y175 WeakPolarHBondContact CD-OH 3.24Å
137F89.8Confident90.3Very high107 Ų10767.8 Ų67.847%0.46939%0.391SS..Hα-helixtrans-67.3-39.1172.8-171.8-99.9000111.3F133 P134 V140 T141F133-F137 HydrophobicContact CE1-CB 4.16Å; F133-F137 HydrophobicContact CE1-CG 4.43Å; F133-F137 HydrophobicContact CE2-CB 3.95Å; F133-F137 HydrophobicContact CE2-CD2 4.12Å; F133-F137 HydrophobicContact CE2-CG 4.37Å; F133-F137 HydrophobicContact CZ-CB 3.74Å; F133-F137 AromaticContact CZ-CD2 3.73Å; F133-F137 HydrophobicContact CZ-CD2 3.73Å; F133-F137 AromaticContact CZ-CG 3.85Å; F133-F137 HydrophobicContact CZ-CG 3.85Å; F133-F137 PolarHBondContact O-N 2.8Å; P134-F137 PolarHBondContact O-N 3.08Å; F137-V140 PolarHBondContact O-N 2.95Å; F137-T141 HydrophobicContact CD1-CG2 4.1Å; F137-T141 HydrophobicContact CE1-CG2 3.68Å; F137-T141 HydrophobicContact CE2-CG2 4.29Å; F137-T141 HydrophobicContact CZ-CG2 3.79Å; F137-T141 WeakPolarHBondContact O-CB 3.3Å; F137-T141 WeakPolarHBondContact O-CG2 3.47Å; F137-T141 PolarHBondContact O-N 3.46Å; F137-T141 PolarHBondContact O-OG1 3.28Å
138G92.9Very high90.4Very high28 Ų2868.8 Ų68.829%0.28940%0.395SS..Hα-helixtrans-58-47.917200000113.2P134 P135 R136 T141 M142P134-G138 PolarHBondContact O-N 3.32Å; P135-G138 PolarHBondContact O-N 3.49Å; R136-G138 VanDerWaalsContact C-N 3.35Å; G138-T141 PolarHBondContact O-OG1 3.49Å; G138-T141 VanDerWaalsContact O-OG1 3.07Å; G138-M142 VanDerWaalsContact O-CB 3.28Å; G138-M142 WeakPolarHBondContact O-CB 3.42Å; G138-M142 WeakPolarHBondContact O-CG 3.15Å; G138-M142 PolarHBondContact O-N 3.43Å
139T94.2Very high90.6Very high77 Ų7768.5 Ų68.547%0.47239%0.388SS..Hα-helixtrans-66.6-3917848.30000112.8P135 R136 A143 C174P135-T139 PolarHBondContact O-N 2.82Å; P135-T139 PolarHBondContact O-OG1 2.86Å; R136-T139 WeakPolarHBondContact CA-OG1 3.38Å; R136-T139 PolarHBondContact O-OG1 2.94Å; T139-A143 WeakPolarHBondContact O-CB 3.39Å; T139-A143 PolarHBondContact O-N 3.48Å; T139-C174 PolarHBondContact OG1-SG 3.49Å
140V94.4Very high90.9Very high12 Ų1271.5 Ų71.57%0.07340%0.4CS..Hα-helixtrans-63.6-47.2176.4170.10000111.7R136 F137 A143 G144 M167 A171 C174R136-V140 WeakPolarHBondContact O-CB 3.31Å; R136-V140 WeakPolarHBondContact O-CG2 3.44Å; R136-V140 PolarHBondContact O-N 3.41Å; R136-V140 VanDerWaalsContact O-N 3.11Å; F137-V140 PolarHBondContact O-N 2.95Å; V140-A143 PolarHBondContact O-N 2.97Å; V140-G144 PolarHBondContact O-N 2.83Å; V140-G144 VanDerWaalsContact O-N 3.14Å; V140-M167 HydrophobicContact CG1-CE 3.88Å; V140-M167 HydrophobicContact CG1-CG 3.53Å; V140-A171 HydrophobicContact CG2-CB 4.21Å; V140-C174 HydrophobicContact CG2-CB 4.31Å
141T94.4Very high91.3Very high44 Ų4469.2 Ų69.227%0.2739%0.385SS..Hα-helixtrans-67.8-41.2178.750.10000112F137 G138 A143 G144 L145F137-T141 HydrophobicContact CD1-CG2 4.1Å; F137-T141 HydrophobicContact CE1-CG2 3.68Å; F137-T141 HydrophobicContact CE2-CG2 4.29Å; F137-T141 HydrophobicContact CZ-CG2 3.79Å; F137-T141 WeakPolarHBondContact O-CB 3.3Å; F137-T141 WeakPolarHBondContact O-CG2 3.47Å; F137-T141 PolarHBondContact O-N 3.46Å; F137-T141 PolarHBondContact O-OG1 3.28Å; G138-T141 PolarHBondContact O-OG1 3.49Å; G138-T141 VanDerWaalsContact O-OG1 3.07Å; T141-A143 PolarHBondContact O-N 2.96Å; T141-G144 PolarHBondContact O-N 3.01Å; T141-L145 WeakPolarHBondContact O-CG 3.28Å; T141-L145 PolarHBondContact O-N 3.16Å
142M95Very high91.6Very high124 Ų12470.8 Ų70.861%0.61137%0.374SS*.Hα-helixtrans-63.5-36.9174.6-71.7-66.7172.700112.8G138 L145 L146G138-M142 VanDerWaalsContact O-CB 3.28Å; G138-M142 WeakPolarHBondContact O-CB 3.42Å; G138-M142 WeakPolarHBondContact O-CG 3.15Å; G138-M142 PolarHBondContact O-N 3.43Å; M142-L145 PolarHBondContact O-N 2.79Å; M142-L145 HydrophobicContact SD-CD1 4.02Å; M142-L146 VanDerWaalsContact O-CB 3.3Å; M142-L146 WeakPolarHBondContact O-CB 3.32Å; M142-L146 PolarHBondContact O-N 3.32Å
143A95.5Very high91.7Very high24 Ų2479.2 Ų79.220%0.19840%0.401CS..Hα-helixtrans-63.6-40172.900000112.2T139 V140 T141 G147T139-A143 WeakPolarHBondContact O-CB 3.39Å; T139-A143 PolarHBondContact O-N 3.48Å; V140-A143 PolarHBondContact O-N 2.97Å; T141-A143 PolarHBondContact O-N 2.96Å; A143-G147 PolarHBondContact O-N 3.34Å
144G95.4Very high91.4Very high11 Ų1179.3 Ų79.311%0.11341%0.41CS..Hα-helixtrans-63.1-46.8172.300000113V140 T141 L146 G147 M148 P163V140-G144 PolarHBondContact O-N 2.83Å; V140-G144 VanDerWaalsContact O-N 3.14Å; T141-G144 PolarHBondContact O-N 3.01Å; G144-L146 PolarHBondContact O-N 3.09Å; G144-G147 PolarHBondContact O-N 2.99Å; G144-M148 PolarHBondContact O-N 3.47Å; G144-P163 WeakPolarHBondContact O-CB 3.34Å
145L94.5Very high91.3Very high89 Ų8979.6 Ų79.647%0.46642%0.415SS..Hα-helixtrans-61.2-42.4176.2-71.8173.2000112T141 M142 M148 F149T141-L145 WeakPolarHBondContact O-CG 3.28Å; T141-L145 PolarHBondContact O-N 3.16Å; M142-L145 PolarHBondContact O-N 2.79Å; M142-L145 HydrophobicContact SD-CD1 4.02Å; L145-M148 HydrophobicContact CD2-CE 3.93Å; L145-M148 PolarHBondContact O-N 3.37Å; L145-F149 PolarHBondContact O-N 3.38Å
146L95.4Very high91Very high100 Ų10084.7 Ų84.752%0.52442%0.422SS..Hα-helixtrans-62.1-42.2174.4-176.861.3000111.2M142 G144 M148 F149 L150M142-L146 VanDerWaalsContact O-CB 3.3Å; M142-L146 WeakPolarHBondContact O-CB 3.32Å; M142-L146 PolarHBondContact O-N 3.32Å; G144-L146 PolarHBondContact O-N 3.09Å; L146-M148 VanDerWaalsContact C-N 3.35Å; L146-M148 PolarHBondContact O-N 2.92Å; L146-F149 WeakPolarHBondContact O-CB 3.49Å; L146-F149 PolarHBondContact O-N 3.36Å; L146-L150 HydrophobicContact CD1-CD1 3.75Å; L146-L150 HydrophobicContact CG-CD1 4.14Å; L146-L150 WeakPolarHBondContact O-CD1 3.12Å; L146-L150 PolarHBondContact O-N 2.91Å
147G93.9Very high91Very high0 Ų087 Ų870%044%0.436CS..Hα-helixtrans-62.7-36.9173.700000114.1A143 G144 T151 L166A143-G147 PolarHBondContact O-N 3.34Å; G144-G147 PolarHBondContact O-N 2.99Å; G147-T151 PolarHBondContact O-N 3.45Å; G147-T151 PolarHBondContact O-OG1 3.05Å; G147-L166 VanDerWaalsContact CA-CD1 3.46Å
148M92.4Very high90.8Very high113 Ų11387.9 Ų87.956%0.55744%0.439SS*.Hα-helixtrans-69.4-35.9172.8-172.6169.964.800111.8G144 L145 L146 T151 R152 P163G144-M148 PolarHBondContact O-N 3.47Å; L145-M148 HydrophobicContact CD2-CE 3.93Å; L145-M148 PolarHBondContact O-N 3.37Å; L146-M148 VanDerWaalsContact C-N 3.35Å; L146-M148 PolarHBondContact O-N 2.92Å; M148-T151 CarbonylContact O-C 3.58Å; M148-T151 PolarHBondContact O-N 3.17Å; M148-R152 PolarHBondContact O-N 3.3Å; M148-P163 HydrophobicContact CB-CB 4.42Å
149F92.4Very high90.7Very high122 Ų12291.4 Ų91.454%0.53544%0.444SS..Hα-helixtrans-67.4-47.7174.9-165-87.5000111.8L145 L146 T151 R152L145-F149 PolarHBondContact O-N 3.38Å; L146-F149 WeakPolarHBondContact O-CB 3.49Å; L146-F149 PolarHBondContact O-N 3.36Å; F149-T151 PolarHBondContact O-N 2.94Å; F149-T151 VanDerWaalsContact O-N 3.17Å; F149-R152 WeakPolarHBondContact O-CB 3.44Å; F149-R152 PolarHBondContact O-N 3.34Å; F149-R152 VanDerWaalsContact O-N 3.08Å
150L89.9Confident90.6Very high118 Ų11893.4 Ų93.462%0.61845%0.451SS*.Hα-helixtrans-58.5-27.2174.5-97.562000112.9L146L146-L150 HydrophobicContact CD1-CD1 3.75Å; L146-L150 HydrophobicContact CG-CD1 4.14Å; L146-L150 WeakPolarHBondContact O-CD1 3.12Å; L146-L150 PolarHBondContact O-N 2.91Å
151T91.6Very high90.6Very high5 Ų594.9 Ų94.93%0.03147%0.465CS..THydrogen-bonded Turntrans-104.78.7178.457.80000114.8G147 M148 F149 K153 G154 K158 R159 V162G147-T151 PolarHBondContact O-N 3.45Å; G147-T151 PolarHBondContact O-OG1 3.05Å; M148-T151 CarbonylContact O-C 3.58Å; M148-T151 PolarHBondContact O-N 3.17Å; F149-T151 PolarHBondContact O-N 2.94Å; F149-T151 VanDerWaalsContact O-N 3.17Å; T151-K153 PolarHBondContact O-N 3.42Å; T151-G154 PolarHBondContact O-N 2.96Å; T151-K158 HydrophobicContact CG2-CG 3.98Å; T151-R159 WeakPolarHBondContact O-CG 3.42Å; T151-R159 PolarHBondContact O-NE 2.85Å; T151-V162 HydrophobicContact CG2-CB 3.55Å; T151-V162 HydrophobicContact CG2-CG1 3.81Å; T151-V162 HydrophobicContact CG2-CG2 3.66Å
152R84.8Confident90.6Very high170 Ų17094.6 Ų94.664%0.64246%0.463SS*.THydrogen-bonded Turntrans-46.8-34.7174.4179.3179.1-85.2-168.3-7.2112.3M148 F149 R159M148-R152 PolarHBondContact O-N 3.3Å; F149-R152 WeakPolarHBondContact O-CB 3.44Å; F149-R152 PolarHBondContact O-N 3.34Å; F149-R152 VanDerWaalsContact O-N 3.08Å; R152-R159 PolarHBondContact O-NH2 3.46Å
153K82.4Confident90.6Very high209 Ų20989.7 Ų89.791%0.90944%0.44SS*.THydrogen-bonded Turntrans-120.668.4175.7-149.6158.1-171.8170.10112.6T151T151-K153 PolarHBondContact O-N 3.42Å
154G80.6Confident90.5Very high33 Ų3394.6 Ų94.634%0.3446%0.462SS..SBendtrans-148.5177.7178.400000114.5T151 R159T151-G154 PolarHBondContact O-N 2.96Å; G154-R159 PolarHBondContact O-NE 2.85Å
155S84.9Confident90.5Very high84 Ų8496 Ų9659%0.58748%0.477SS*.  trans-61151.3176.4177.30000112.2F157 K158 R159S155-F157 PolarHBondContact O-N 2.98Å; S155-K158 PolarHBondContact O-N 2.88Å; S155-K158 VanDerWaalsContact O-N 3.08Å; S155-R159 PolarHBondContact O-N 2.72Å
156R87Confident90.5Very high195 Ų19594.9 Ų94.974%0.73647%0.471SS*.THydrogen-bonded Turntrans-53.3-38.2178.1-67.3-66.5-64-161.14.3112.6L160R156-L160 PolarHBondContact O-N 3.49Å
157F89Confident90.5Very high162 Ų16294 Ų9471%0.71147%0.465SS*.THydrogen-bonded Turntrans-66.1-49.2175.6179.8-101.1000112.2S155 R159 L160 A161S155-F157 PolarHBondContact O-N 2.98Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 3.36Å; F157-L160 PolarHBondContact O-N 3.12Å; F157-A161 HydrophobicContact CD1-CB 4.5Å; F157-A161 HydrophobicContact CE1-CB 4.09Å; F157-A161 HydrophobicContact CZ-CB 4.21Å; F157-A161 PolarHBondContact O-N 3.05Å
158K86.9Confident90.5Very high125 Ų12597.8 Ų97.854%0.54349%0.492SS..Hα-helixtrans-63.2-33.9179.8-165.2171.2-178.9172.90111.8T151 S155 L160 V162T151-K158 HydrophobicContact CG2-CG 3.98Å; S155-K158 PolarHBondContact O-N 2.88Å; S155-K158 VanDerWaalsContact O-N 3.08Å; K158-L160 PolarHBondContact O-N 3.3Å; K158-V162 HydrophobicContact CD-CG2 4.47Å; K158-V162 HydrophobicContact CG-CG2 3.64Å; K158-V162 WeakPolarHBondContact O-CB 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.43Å; K158-V162 PolarHBondContact O-N 3.27Å; K158-V162 VanDerWaalsContact O-N 3.15Å
159R89.6Confident90.6Very high103 Ų10394.6 Ų94.639%0.38948%0.483SS..Hα-helixtrans-63.3-15.6172-81.5177.2171.6175.2-0.1115.3T151 R152 G154 S155 F157 P163T151-R159 WeakPolarHBondContact O-CG 3.42Å; T151-R159 PolarHBondContact O-NE 2.85Å; R152-R159 PolarHBondContact O-NH2 3.46Å; G154-R159 PolarHBondContact O-NE 2.85Å; S155-R159 PolarHBondContact O-N 2.72Å; F157-R159 VanDerWaalsContact C-N 3.26Å; F157-R159 PolarHBondContact O-N 3.36Å; R159-P163 WeakPolarHBondContact O-CD 3.45Å; R159-P163 WeakPolarHBondContact O-CG 3.35Å
160L93Very high90.7Very high118 Ų11889.5 Ų89.562%0.61847%0.465SS*.Hα-helixtrans-104.6-48.3173.6-64.9174.8000110.9R156 F157 K158 V162 P163 L164R156-L160 PolarHBondContact O-N 3.49Å; F157-L160 PolarHBondContact O-N 3.12Å; K158-L160 PolarHBondContact O-N 3.3Å; L160-V162 PolarHBondContact O-N 2.92Å; L160-P163 WeakPolarHBondContact O-CD 3.26Å; L160-P163 WeakPolarHBondContact O-CG 3.48Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 PolarHBondContact O-N 2.93Å; L160-L164 VanDerWaalsContact O-N 3.16Å
161A94.9Very high90.9Very high44 Ų4485.6 Ų85.636%0.36445%0.45SS..Hα-helixtrans-62.4-37.1-175.800000114F157 G165F157-A161 HydrophobicContact CD1-CB 4.5Å; F157-A161 HydrophobicContact CE1-CB 4.09Å; F157-A161 HydrophobicContact CZ-CB 4.21Å; F157-A161 PolarHBondContact O-N 3.05Å; A161-G165 PolarHBondContact O-N 3.36Å
162V93.8Very high90.9Very high38 Ų3887.8 Ų87.823%0.2347%0.465CS..Hα-helixtrans-74.3-48.8-178.5176.80000113.4T151 K158 L160 L164 G165 L166T151-V162 HydrophobicContact CG2-CB 3.55Å; T151-V162 HydrophobicContact CG2-CG1 3.81Å; T151-V162 HydrophobicContact CG2-CG2 3.66Å; K158-V162 HydrophobicContact CD-CG2 4.47Å; K158-V162 HydrophobicContact CG-CG2 3.64Å; K158-V162 WeakPolarHBondContact O-CB 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.43Å; K158-V162 PolarHBondContact O-N 3.27Å; K158-V162 VanDerWaalsContact O-N 3.15Å; L160-V162 PolarHBondContact O-N 2.92Å; V162-L164 PolarHBondContact O-N 2.85Å; V162-G165 PolarHBondContact O-N 2.9Å; V162-L166 HydrophobicContact CG1-CD1 3.85Å; V162-L166 PolarHBondContact O-N 3.48Å
163P94.4Very high91.3Very high20 Ų2085.4 Ų85.413%0.1347%0.469CS..Hα-helixtrans-63.4-37.7174.221.6-30.9000112.6G144 M148 R159 L160 M167G144-P163 WeakPolarHBondContact O-CB 3.34Å; M148-P163 HydrophobicContact CB-CB 4.42Å; R159-P163 WeakPolarHBondContact O-CD 3.45Å; R159-P163 WeakPolarHBondContact O-CG 3.35Å; L160-P163 WeakPolarHBondContact O-CD 3.26Å; L160-P163 WeakPolarHBondContact O-CG 3.48Å; P163-M167 WeakPolarHBondContact O-CB 3.41Å; P163-M167 PolarHBondContact O-N 3.39Å
164L94.5Very high91.6Very high127 Ų12776.2 Ų76.267%0.66543%0.431SS*.Hα-helixtrans-60.9-45.8171.7-111.372.1000111.7L160 V162 S168L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 PolarHBondContact O-N 2.93Å; L160-L164 VanDerWaalsContact O-N 3.16Å; V162-L164 PolarHBondContact O-N 2.85Å; L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.48Å
165G95.1Very high92.2Very high41 Ų4177.2 Ų77.242%0.42343%0.425SS..Hα-helixtrans-62.6-43.7179.500000113.1A161 V162 A169A161-G165 PolarHBondContact O-N 3.36Å; V162-G165 PolarHBondContact O-N 2.9Å; G165-A169 WeakPolarHBondContact O-CB 3.11Å; G165-A169 PolarHBondContact O-N 2.93Å
166L94.4Very high92.4Very high65 Ų6577 Ų7734%0.3442%0.422SS..Hα-helixtrans-74.7-34.8178.7-75.6168.7000113.1G147 V162 A169 G170G147-L166 VanDerWaalsContact CA-CD1 3.46Å; V162-L166 HydrophobicContact CG1-CD1 3.85Å; V162-L166 PolarHBondContact O-N 3.48Å; L166-A169 PolarHBondContact O-N 3.3Å; L166-G170 PolarHBondContact O-N 3.36Å
167M95.7Very high92.7Very high83 Ų8371.9 Ų71.941%0.40942%0.421SS..Hα-helixtrans-66.1-40.4171.9-170178.2-179.700111.1V140 P163 G170 A171V140-M167 HydrophobicContact CG1-CE 3.88Å; V140-M167 HydrophobicContact CG1-CG 3.53Å; P163-M167 WeakPolarHBondContact O-CB 3.41Å; P163-M167 PolarHBondContact O-N 3.39Å; M167-G170 PolarHBondContact O-N 3.44Å; M167-A171 WeakPolarHBondContact O-CB 3.4Å; M167-A171 PolarHBondContact O-N 2.88Å
168S94.3Very high92.7Very high79 Ų7969.9 Ų69.955%0.55241%0.414SS*.Hα-helixtrans-65.5-42.7174.3-176.30000112.5L164 A171 S172L164-S168 WeakPolarHBondContact O-CB 3.48Å; L164-S168 PolarHBondContact O-N 3.48Å; S168-A171 PolarHBondContact O-N 3.01Å; S168-S172 PolarHBondContact O-N 2.81Å
169A94.4Very high93Very high45 Ų4565.5 Ų65.537%0.37240%0.401SS..Hα-helixtrans-65.7-38.1173.600000112.5G165 L166 A171 S172 V173G165-A169 WeakPolarHBondContact O-CB 3.11Å; G165-A169 PolarHBondContact O-N 2.93Å; L166-A169 PolarHBondContact O-N 3.3Å; A169-A171 VanDerWaalsContact C-N 3.32Å; A169-S172 PolarHBondContact O-N 2.95Å; A169-S172 PolarHBondContact O-OG 3.42Å; A169-S172 VanDerWaalsContact O-OG 3.07Å; A169-V173 WeakPolarHBondContact O-CG2 3.3Å; A169-V173 PolarHBondContact O-N 3.33Å; A169-V173 VanDerWaalsContact O-N 3.16Å
170G93.6Very high93.1Very high15 Ų1564.2 Ų64.216%0.15541%0.405CS..Hα-helixtrans-60.7-43.1170.200000111.6L166 M167 V173 C174L166-G170 PolarHBondContact O-N 3.36Å; M167-G170 PolarHBondContact O-N 3.44Å; G170-V173 PolarHBondContact O-N 3.42Å; G170-C174 WeakPolarHBondContact O-CB 3.43Å; G170-C174 PolarHBondContact O-N 2.98Å; G170-C174 PolarHBondContact O-SG 2.97Å
171A93.6Very high93Very high36 Ų3661.5 Ų61.530%0.29840%0.395SS..Hα-helixtrans-67.2-38179.400000112.3V140 M167 S168 A169 C174 Y175V140-A171 HydrophobicContact CG2-CB 4.21Å; M167-A171 WeakPolarHBondContact O-CB 3.4Å; M167-A171 PolarHBondContact O-N 2.88Å; S168-A171 PolarHBondContact O-N 3.01Å; A169-A171 VanDerWaalsContact C-N 3.32Å; A171-C174 PolarHBondContact O-N 2.98Å; A171-Y175 PolarHBondContact O-N 3.11Å
172S92.1Very high92.8Very high51 Ų5163 Ų6336%0.35740%0.399SS..Hα-helixtrans-70.5-32.4177.3670000113.5S168 A169 P176S168-S172 PolarHBondContact O-N 2.81Å; A169-S172 PolarHBondContact O-N 2.95Å; A169-S172 PolarHBondContact O-OG 3.42Å; A169-S172 VanDerWaalsContact O-OG 3.07Å; S172-P176 VanDerWaalsContact O-CA 3.26Å; S172-P176 WeakPolarHBondContact O-CA 3.48Å
173V92.6Very high92.5Very high120 Ų12067.1 Ų67.173%0.72742%0.42SS*.Hα-helixtrans-70-37170.2173.60000111.5A169 G170A169-V173 WeakPolarHBondContact O-CG2 3.3Å; A169-V173 PolarHBondContact O-N 3.33Å; A169-V173 VanDerWaalsContact O-N 3.16Å; G170-V173 PolarHBondContact O-N 3.42Å
174C89.7Confident92.3Very high17 Ų1772.8 Ų72.812%0.11544%0.442CS..Hα-helixtrans-79.8-25.3-179.6-64.60000114.2R136 T139 V140 G170 A171R136-C174 HydrophobicContact CB-CB 4.01Å; R136-C174 HydrophobicContact CG-CB 4.07Å; R136-C174 PolarHBondContact NH1-O 3.24Å; T139-C174 PolarHBondContact OG1-SG 3.49Å; V140-C174 HydrophobicContact CG2-CB 4.31Å; G170-C174 WeakPolarHBondContact O-CB 3.43Å; G170-C174 PolarHBondContact O-N 2.98Å; G170-C174 PolarHBondContact O-SG 2.97Å; A171-C174 PolarHBondContact O-N 2.98Å
175Y92.3Very high92.3Very high53 Ų5370.8 Ų70.821%0.20844%0.435CS..  trans-138.561-176.3-60.7-79.2000112.1F133 R136 A171 A177 Q178 A179F133-Y175 WeakPolarHBondContact CD2-OH 3.27Å; R136-Y175 HydrophobicContact CB-CE2 4.08Å; R136-Y175 WeakPolarHBondContact CB-OH 3.32Å; R136-Y175 WeakPolarHBondContact CD-OH 3.24Å; A171-Y175 PolarHBondContact O-N 3.11Å; Y175-A177 PolarHBondContact O-N 3.11Å; Y175-Q178 PolarHBondContact O-N 3Å; Y175-A179 PolarHBondContact O-N 3.44Å
176P90.2Very high92Very high81 Ų8172.2 Ų72.253%0.52644%0.436SS..Hα-helixtrans-61.9-37.5-170.922.9-34.1000113.8S172 Q178 A179 V180S172-P176 VanDerWaalsContact O-CA 3.26Å; S172-P176 WeakPolarHBondContact O-CA 3.48Å; P176-Q178 PolarHBondContact O-N 3.46Å; P176-A179 PolarHBondContact O-N 2.88Å; P176-V180 WeakPolarHBondContact O-CG2 3.42Å; P176-V180 PolarHBondContact O-N 2.83Å
177A92.2Very high91.8Very high86 Ų8670.7 Ų70.771%0.71144%0.436SS*.Hα-helixtrans-62.3-42.6178.100000112.4Y175 S181Y175-A177 PolarHBondContact O-N 3.11Å; A177-S181 PolarHBondContact O-N 3.29Å
178Q90.4Very high91.5Very high121 Ų12173.5 Ų73.557%0.56545%0.448SS*.Hα-helixtrans-71.7-38.3176.9-170.6178.57.600111.4Y175 P176 V180 S181 V182Y175-Q178 PolarHBondContact O-N 3Å; P176-Q178 PolarHBondContact O-N 3.46Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; Q178-V180 PolarHBondContact O-N 2.89Å; Q178-S181 PolarHBondContact O-N 3.2Å; Q178-S181 PolarHBondContact O-OG 2.89Å; Q178-V182 HydrophobicContact CG-CG2 4.42Å; Q178-V182 WeakPolarHBondContact O-CB 3.48Å; Q178-V182 VanDerWaalsContact O-CG2 3.31Å; Q178-V182 WeakPolarHBondContact O-CG2 3.33Å; Q178-V182 PolarHBondContact O-N 2.89Å
179A91.4Very high91.4Very high32 Ų3277.7 Ų77.726%0.26446%0.456SS..Hα-helixtrans-61.8-41175.500000112.1Y175 P176 L183Y175-A179 PolarHBondContact O-N 3.44Å; P176-A179 PolarHBondContact O-N 2.88Å; A179-L183 WeakPolarHBondContact O-CB 3.2Å; A179-L183 PolarHBondContact O-N 3.39Å
180V92.1Very high91.3Very high77 Ų7780.2 Ų80.247%0.46747%0.467SS..Hα-helixtrans-68.2-37.8176.8172.20000112.2P176 Q178 K184P176-V180 WeakPolarHBondContact O-CG2 3.42Å; P176-V180 PolarHBondContact O-N 2.83Å; Q178-V180 VanDerWaalsContact C-N 3.34Å; Q178-V180 PolarHBondContact O-N 2.89Å; V180-K184 HydrophobicContact CG1-CD 4.23Å; V180-K184 WeakPolarHBondContact O-CB 3.48Å; V180-K184 VanDerWaalsContact O-CG 3.3Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 3.16Å
181S90.8Very high91Very high61 Ų6187 Ų8743%0.42749%0.489SS..Hα-helixtrans-68.4-46.2176.566.60000111.8A177 Q178 L183 K184 V185A177-S181 PolarHBondContact O-N 3.29Å; Q178-S181 PolarHBondContact O-N 3.2Å; Q178-S181 PolarHBondContact O-OG 2.89Å; S181-L183 PolarHBondContact O-N 3.07Å; S181-K184 PolarHBondContact O-N 3.49Å; S181-V185 PolarHBondContact O-N 2.93Å; S181-V185 VanDerWaalsContact O-N 3.08Å
182V90.7Very high90.8Very high74 Ų7487.5 Ų87.545%0.44849%0.493SS..Hα-helixtrans-62.1-41.1176.1173.60000111.6Q178 T186Q178-V182 HydrophobicContact CG-CG2 4.42Å; Q178-V182 WeakPolarHBondContact O-CB 3.48Å; Q178-V182 VanDerWaalsContact O-CG2 3.31Å; Q178-V182 WeakPolarHBondContact O-CG2 3.33Å; Q178-V182 PolarHBondContact O-N 2.89Å; V182-T186 WeakPolarHBondContact O-CB 3.41Å; V182-T186 PolarHBondContact O-N 3.01Å; V182-T186 PolarHBondContact O-OG1 3.19Å
183L88.2Confident90.6Very high126 Ų12688 Ų8866%0.6650%0.5SS*.Hα-helixtrans-65.4-37.8176.8-177.562000112A179 S181 G187A179-L183 WeakPolarHBondContact O-CB 3.2Å; A179-L183 PolarHBondContact O-N 3.39Å; S181-L183 PolarHBondContact O-N 3.07Å; L183-G187 VanDerWaalsContact O-CA 3.28Å; L183-G187 WeakPolarHBondContact O-CA 3.18Å; L183-G187 PolarHBondContact O-N 3.46Å
184K90.8Very high90.4Very high139 Ų13983.5 Ų83.560%0.60448%0.478SS*.Hα-helixtrans-65.2-53.3175.5-77.8174.8178.3-176.90111.9V180 S181 G187 Q188V180-K184 HydrophobicContact CG1-CD 4.23Å; V180-K184 WeakPolarHBondContact O-CB 3.48Å; V180-K184 VanDerWaalsContact O-CG 3.3Å; V180-K184 WeakPolarHBondContact O-CG 3.44Å; V180-K184 PolarHBondContact O-N 3.16Å; S181-K184 PolarHBondContact O-N 3.49Å; K184-G187 PolarHBondContact O-N 3.09Å; K184-Q188 WeakPolarHBondContact O-CG 3.39Å; K184-Q188 PolarHBondContact O-N 3.2Å
185V93.6Very high89.9Confident84 Ų8487.6 Ų87.651%0.50950%0.495SS..Hα-helixtrans-69.5-37.5-176.4-58.70000112.8S181 K189S181-V185 PolarHBondContact O-N 2.93Å; S181-V185 VanDerWaalsContact O-N 3.08Å; V185-K189 PolarHBondContact O-N 3.29Å
186T90.1Very high89.1Confident71 Ų7195 Ų9544%0.43652%0.523SS..Hα-helixtrans-70.7-44174.7-53.80000110.4V182 Q188 K189 V190V182-T186 WeakPolarHBondContact O-CB 3.41Å; V182-T186 PolarHBondContact O-N 3.01Å; V182-T186 PolarHBondContact O-OG1 3.19Å; T186-Q188 PolarHBondContact O-N 3.07Å; T186-K189 PolarHBondContact O-N 3.23Å; T186-V190 HydrophobicContact CG2-CG2 4.04Å; T186-V190 WeakPolarHBondContact O-CB 3.17Å; T186-V190 WeakPolarHBondContact O-CG2 3.31Å; T186-V190 PolarHBondContact O-N 2.89Å
187G89.1Confident88.7Confident33 Ų3394.8 Ų94.834%0.3452%0.523SS..Hα-helixtrans-58.8-46.9178.400000112.5L183 K184 K189 V190 Y191L183-G187 VanDerWaalsContact O-CA 3.28Å; L183-G187 WeakPolarHBondContact O-CA 3.18Å; L183-G187 PolarHBondContact O-N 3.46Å; K184-G187 PolarHBondContact O-N 3.09Å; G187-K189 PolarHBondContact O-N 2.94Å; G187-V190 PolarHBondContact O-N 3.14Å; G187-Y191 WeakPolarHBondContact O-CB 3.28Å; G187-Y191 PolarHBondContact O-N 2.85Å
188Q89.1Confident88Confident142 Ų14293.2 Ų93.266%0.66451%0.511SS*.Hα-helixtrans-60.3-45.5175.8-76.6178.2-29.200112.4K184 T186 Y191 A192K184-Q188 WeakPolarHBondContact O-CG 3.39Å; K184-Q188 PolarHBondContact O-N 3.2Å; T186-Q188 PolarHBondContact O-N 3.07Å; Q188-Y191 PolarHBondContact O-N 2.96Å; Q188-A192 WeakPolarHBondContact O-CB 3.35Å; Q188-A192 PolarHBondContact O-N 2.85Å
189K91.6Very high87.4Confident168 Ų16890.5 Ų90.573%0.7351%0.509SS*.Hα-helixtrans-70.1-39.3-179.8-73.5-175.2174.8-178.80113.1V185 T186 G187 A193V185-K189 PolarHBondContact O-N 3.29Å; T186-K189 PolarHBondContact O-N 3.23Å; G187-K189 PolarHBondContact O-N 2.94Å; K189-A193 WeakPolarHBondContact O-CB 3.41Å; K189-A193 PolarHBondContact O-N 3.41Å
190V93.6Very high86.7Confident97 Ų9791.9 Ų91.959%0.58852%0.52SS*.Hα-helixtrans-70.3-35.9175.61730000111.4T186 G187 G194T186-V190 HydrophobicContact CG2-CG2 4.04Å; T186-V190 WeakPolarHBondContact O-CB 3.17Å; T186-V190 WeakPolarHBondContact O-CG2 3.31Å; T186-V190 PolarHBondContact O-N 2.89Å; G187-V190 PolarHBondContact O-N 3.14Å; V190-G194 WeakPolarHBondContact O-CA 3.37Å; V190-G194 PolarHBondContact O-N 3.27Å
191Y87.1Confident85.9Confident159 Ų15990.8 Ų90.862%0.62452%0.519SS*.Hα-helixtrans-65.2-48.2174-179.3-101000111.5G187 Q188 G194 Q195G187-Y191 WeakPolarHBondContact O-CB 3.28Å; G187-Y191 PolarHBondContact O-N 2.85Å; Q188-Y191 PolarHBondContact O-N 2.96Å; Y191-G194 WeakPolarHBondContact O-CA 3.15Å; Y191-G194 PolarHBondContact O-N 2.88Å; Y191-G194 VanDerWaalsContact O-N 3.16Å; Y191-Q195 HydrophobicContact CE1-CG 4.47Å; Y191-Q195 PolarHBondContact O-N 3.04Å; Y191-Q195 PolarHBondContact OH-NE2 3.38Å
192A88.8Confident85.1Confident46 Ų4691.4 Ų91.438%0.3852%0.524SS..Hα-helixtrans-60.2-47.8176.200000112.2Q188 G194 Q195Q188-A192 WeakPolarHBondContact O-CB 3.35Å; Q188-A192 PolarHBondContact O-N 2.85Å; A192-G194 VanDerWaalsContact C-N 3.29Å; A192-G194 PolarHBondContact O-N 3.5Å; A192-Q195 PolarHBondContact O-N 3.49Å
193A89.3Confident84.1Confident61 Ų6191.7 Ų91.750%0.50453%0.529SS..Hα-helixtrans-62.8-36.617400000112.4K189 Q195 W196 S197K189-A193 WeakPolarHBondContact O-CB 3.41Å; K189-A193 PolarHBondContact O-N 3.41Å; A193-Q195 PolarHBondContact O-N 2.9Å; A193-W196 PolarHBondContact O-N 2.9Å; A193-S197 PolarHBondContact O-N 2.94Å
194G87.3Confident83.3Confident26 Ų2691.9 Ų91.927%0.26853%0.53SS..Hα-helixtrans-61-39.7177.700000113V190 Y191 A192 W196 S197 A198V190-G194 WeakPolarHBondContact O-CA 3.37Å; V190-G194 PolarHBondContact O-N 3.27Å; Y191-G194 WeakPolarHBondContact O-CA 3.15Å; Y191-G194 PolarHBondContact O-N 2.88Å; Y191-G194 VanDerWaalsContact O-N 3.16Å; A192-G194 VanDerWaalsContact C-N 3.29Å; A192-G194 PolarHBondContact O-N 3.5Å; G194-W196 VanDerWaalsContact C-N 3.32Å; G194-W196 PolarHBondContact O-N 3.16Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; G194-S197 PolarHBondContact O-OG 3.24Å; G194-A198 WeakPolarHBondContact O-CB 3.5Å; G194-A198 PolarHBondContact O-N 2.93Å
195Q79.6Confident82.2Confident103 Ų10391.1 Ų91.148%0.48153%0.532SS..Hα-helixtrans-57.5-41.2176.6-73.1179.8-18.200112.6Y191 A192 A193 A198 A199Y191-Q195 HydrophobicContact CE1-CG 4.47Å; Y191-Q195 PolarHBondContact O-N 3.04Å; Y191-Q195 PolarHBondContact OH-NE2 3.38Å; A192-Q195 PolarHBondContact O-N 3.49Å; A193-Q195 PolarHBondContact O-N 2.9Å; Q195-A198 PolarHBondContact O-N 3.36Å; Q195-A199 WeakPolarHBondContact O-CB 3.39Å; Q195-A199 PolarHBondContact O-N 2.87Å
196W75.2Confident80.9Confident207 Ų20790.5 Ų90.578%0.78454%0.535SS*.Hα-helixtrans-63.6-42.1174.4-61.393000112.1A193 G194 A198 A199 A200A193-W196 PolarHBondContact O-N 2.9Å; G194-W196 VanDerWaalsContact C-N 3.32Å; G194-W196 PolarHBondContact O-N 3.16Å; W196-A198 VanDerWaalsContact C-N 3.35Å; W196-A199 PolarHBondContact O-N 3.2Å; W196-A200 WeakPolarHBondContact O-CB 3.3Å; W196-A200 PolarHBondContact O-N 2.98Å
197S82.6Confident79.5Confident77 Ų7791 Ų9154%0.53855%0.546SS..Hα-helixtrans-66.9-35.3176.974.80000112.8A193 G194 A201A193-S197 PolarHBondContact O-N 2.94Å; G194-S197 PolarHBondContact O-N 3.48Å; G194-S197 VanDerWaalsContact O-N 3.09Å; G194-S197 PolarHBondContact O-OG 3.24Å; S197-A201 VanDerWaalsContact O-CB 3.3Å; S197-A201 WeakPolarHBondContact O-CB 3.48Å; S197-A201 PolarHBondContact O-N 2.87Å
198A77.6Confident77.8Confident54 Ų5499.2 Ų99.245%0.44657%0.567SS.*Hα-helixtrans-69.5-43.6175.600000111.4G194 Q195 W196 A200 A201 S202G194-A198 WeakPolarHBondContact O-CB 3.5Å; G194-A198 PolarHBondContact O-N 2.93Å; Q195-A198 PolarHBondContact O-N 3.36Å; W196-A198 VanDerWaalsContact C-N 3.35Å; A198-A200 PolarHBondContact O-N 3.18Å; A198-A201 PolarHBondContact O-N 2.92Å; A198-S202 WeakPolarHBondContact O-CB 3.35Å; A198-S202 PolarHBondContact O-N 3.5Å; A198-S202 PolarHBondContact O-OG 3.46Å; A198-S202 VanDerWaalsContact O-OG 3.12Å
199A76.8Confident76.3Confident63 Ų63100.7 Ų100.752%0.52157%0.574SS.*Hα-helixtrans-61.1-43.2174.400000112Q195 W196 S202 S203Q195-A199 WeakPolarHBondContact O-CB 3.39Å; Q195-A199 PolarHBondContact O-N 2.87Å; W196-A199 PolarHBondContact O-N 3.2Å; A199-S202 PolarHBondContact O-N 3.31Å; A199-S203 WeakPolarHBondContact O-CB 3.46Å; A199-S203 PolarHBondContact O-N 2.77Å
200A76.5Confident74.3Confident61 Ų6197.8 Ų97.850%0.50457%0.572SS.*Hα-helixtrans-64.5-41.6175.100000112.5W196 A198 S203 L204W196-A200 WeakPolarHBondContact O-CB 3.3Å; W196-A200 PolarHBondContact O-N 2.98Å; A198-A200 PolarHBondContact O-N 3.18Å; A200-S203 PolarHBondContact O-N 3.28Å; A200-L204 PolarHBondContact O-N 3.48Å
201A75.4Confident72Confident54 Ų5499.9 Ų99.945%0.44659%0.585SS.*Hα-helixtrans-65.7-42.117600000112.3S197 A198 S203 L204 L205S197-A201 VanDerWaalsContact O-CB 3.3Å; S197-A201 WeakPolarHBondContact O-CB 3.48Å; S197-A201 PolarHBondContact O-N 2.87Å; A198-A201 PolarHBondContact O-N 2.92Å; A201-S203 VanDerWaalsContact C-N 3.35Å; A201-L204 PolarHBondContact O-N 2.74Å; A201-L205 PolarHBondContact O-N 2.99Å
202S74.6Confident69.9Low74 Ų7497.1 Ų97.152%0.51760%0.596SS.*Hα-helixtrans-63.7-38174.3-67.40000112.3A198 A199 L205 A206A198-S202 WeakPolarHBondContact O-CB 3.35Å; A198-S202 PolarHBondContact O-N 3.5Å; A198-S202 PolarHBondContact O-OG 3.46Å; A198-S202 VanDerWaalsContact O-OG 3.12Å; A199-S202 PolarHBondContact O-N 3.31Å; S202-L205 PolarHBondContact O-N 2.94Å; S202-A206 VanDerWaalsContact O-CB 3.32Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.11Å
203S69.7Low67.7Low81 Ų81104.9 Ų104.957%0.56662%0.621SS**Hα-helixtrans-61.4-44.6172.4-1790000111.8A199 A200 A201 L205 A206 A207A199-S203 WeakPolarHBondContact O-CB 3.46Å; A199-S203 PolarHBondContact O-N 2.77Å; A200-S203 PolarHBondContact O-N 3.28Å; A201-S203 VanDerWaalsContact C-N 3.35Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3Å; S203-A206 PolarHBondContact O-N 3.15Å; S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.15Å; S203-A207 PolarHBondContact O-N 2.86Å
204L71.1Confident65.1Low130 Ų130111.5 Ų111.568%0.68164%0.641SS**Hα-helixtrans-69.4-30.6178-140.7171.7000112.5A200 A201 R208A200-L204 PolarHBondContact O-N 3.48Å; A201-L204 PolarHBondContact O-N 2.74Å; L204-R208 PolarHBondContact O-N 3.08Å
205L68.1Low62.7Low123 Ų123114.8 Ų114.864%0.64467%0.665SS**Hα-helixtrans-72-47172.3-103.4163.4000112.1A201 S202 S203 A207 R208A201-L205 PolarHBondContact O-N 2.99Å; S202-L205 PolarHBondContact O-N 2.94Å; S203-L205 VanDerWaalsContact C-N 3.35Å; S203-L205 PolarHBondContact O-N 3Å; L205-A207 PolarHBondContact O-N 3.18Å; L205-R208 VanDerWaalsContact O-CB 3.31Å; L205-R208 WeakPolarHBondContact O-CB 3.4Å; L205-R208 PolarHBondContact O-N 2.98Å
206A65.5Low60.3Low70 Ų70115 Ų11558%0.57969%0.685SS**Hα-helixtrans-62.4-41.317700000111.9S202 S203 R208 E209S202-A206 VanDerWaalsContact O-CB 3.32Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.11Å; S203-A206 PolarHBondContact O-N 3.15Å; A206-R208 PolarHBondContact O-N 3.17Å; A206-R208 VanDerWaalsContact O-N 3.09Å; A206-E209 PolarHBondContact O-N 3.39Å
207A60.8Low58.3Low81 Ų81109.9 Ų109.967%0.66969%0.687SS**THydrogen-bonded Turntrans-64.5-10.6173.600000114S203 L205S203-A207 VanDerWaalsContact O-CB 3.24Å; S203-A207 WeakPolarHBondContact O-CB 3.15Å; S203-A207 PolarHBondContact O-N 2.86Å; L205-A207 PolarHBondContact O-N 3.18Å
208R53.3Low55.8Low207 Ų207111.8 Ų111.878%0.78170%0.7SS**THydrogen-bonded Turntrans-96.1-8.8178.6-158.1174.7-177.6-171-0.3113.6L204 L205 A206L204-R208 PolarHBondContact O-N 3.08Å; L205-R208 VanDerWaalsContact O-CB 3.31Å; L205-R208 WeakPolarHBondContact O-CB 3.4Å; L205-R208 PolarHBondContact O-N 2.98Å; A206-R208 PolarHBondContact O-N 3.17Å; A206-R208 VanDerWaalsContact O-N 3.09Å
209E57.2Low53.5Low172 Ų172117.8 Ų117.880%0.80472%0.719SS**  trans-107.465.9179.9-163.9175.5-178.100112.8A206A206-E209 PolarHBondContact O-N 3.39Å
210P50.3Low51Low107 Ų107121.4 Ų121.470%0.69574%0.735SS**SBendtrans-142.234.5143.340-26.5000115.2
211V46.5Very low48.7Very low141 Ų141127.2 Ų127.286%0.85575%0.751SS**SBendtrans-133.151.4176.1-159.20000113.1
212A43.1Very low47Very low102 Ų102129.6 Ų129.684%0.84376%0.763SS**SBendtrans-148.69.9175.800000115.1
213K40.9Very low45.1Very low208 Ų208132.2 Ų132.290%0.90478%0.778SS**SBendtrans-146.531.6-171.5-144.4171.6-174.6175.20116
214E35.9Very low43Very low201 Ų201132.5 Ų132.594%0.93978%0.78SS**SBendtrans-128.659.2167.1-158.2177.2139.800111.3
215A35.5Very low40.9Very low94 Ų94135 Ų13578%0.77779%0.788SS**SBendtrans-152.3149.3163.900000108.7
216A30.1Very low38.9Very low107 Ų107133.4 Ų133.488%0.88479%0.792SS**  trans60.971.6178.600000116.3
217A32.5Very low37.2Very low101 Ų101137.2 Ų137.284%0.83580%0.803SS**  trans-101.982.5155.800000110.3
218S30.6Very low36.3Very low116 Ų116138.5 Ų138.581%0.81181%0.805SS**  trans-167.8142.7165.5-90.30000113.9
219Q29.3Very low35.1Very low181 Ų181135.9 Ų135.985%0.84680%0.801SS**  trans76.196.1165.9-62.6-170.57.400120.1
220T24.6Very low34Very low139 Ų139133.8 Ų133.885%0.85381%0.805SS**  97138.9127-50.10000119.1
221Q28Very low33Very low182 Ų182131.9 Ų131.985%0.8580%0.799SS**  trans-95.4168.8-173.6-106.9-174.7-116.100113.6
222P40.7Very low32.2Very low105 Ų105132 Ų13268%0.68279%0.794SS**  trans-86.4173.2-173.939.1-38.8000113.6
223P34Very low31.4Very low128 Ų128137 Ų13783%0.83179%0.791SS**  -136.1-176.594.620.51.1000111.9
224S25.1Very low31Very low87 Ų87133.5 Ų133.561%0.60878%0.778SS**  cis-171.7158.3-30.1-172.90000107.6
225E26.8Very low30.8Very low182 Ų182132.1 Ų132.185%0.8577%0.771SS**  trans65.4168.8154.8-80.3152.711100123.2
226A26.7Very low30.8Very low90 Ų90135.4 Ų135.474%0.74477%0.77SS**  trans76.979.7168.800000119.8
227D30.1Very low30.7Very low151 Ų151135 Ų13581%0.80777%0.767SS**  trans-71.2139.8132.9-163.8-49.9000107.7E229D227-E229 PolarHBondContact OD1-N 3.38Å; D227-E229 VanDerWaalsContact OD1-N 3.1Å
228P41.9Very low30.7Very low107 Ų107136.1 Ų136.170%0.69577%0.769SS**  -146.9129.3122.434.5-17.8000116.2
229E28.5Very low30.9Very low153 Ų153135.4 Ų135.472%0.71577%0.77SS**  59.3115.5119-163.3-173.4165.700120.2D227D227-E229 PolarHBondContact OD1-N 3.38Å; D227-E229 VanDerWaalsContact OD1-N 3.1Å
230S32.5Very low30.7Very low127 Ų127133.9 Ų133.989%0.88877%0.768SS**  trans-164143.1134.7-80.10000111.4
231A31.1Very low31Very low67 Ų67133.8 Ų133.855%0.55476%0.762SS**  cis-178.5124.1-35.100000108.5
232L28.5Very low31Very low143 Ų143130.3 Ų130.375%0.74976%0.757SS**  trans62.5145.2154.6-53.3173.6000118.1
233R27.2Very low30.8Very low207 Ų207131.7 Ų131.778%0.78176%0.764SS**  cis-132.8148.510.3-85.1-160.3167.3132.93.8110.4
234Q32.2Very low31.3Very low136 Ų136131.6 Ų131.664%0.63676%0.763SS**  55141.677.6-71177.6-63.400113.8
235E31.3Very low31.7Very low171 Ų171134.6 Ų134.680%0.79977%0.773SS**  cis-110.3145.516-85155.348.800113.4
236E35Very low31.8Very low163 Ų163134.3 Ų134.376%0.76278%0.776SS**  69.4146.381.4-54-158.912400115.3
237A28.4Very low32Very low99 Ų99137.5 Ų137.582%0.81878%0.78SS**  cis-138.7176.71100000113.7
238S33.6Very low31.9Very low125 Ų125134.3 Ų134.387%0.87477%0.774SS**  trans-120.8158.6-163.9-490000115
239A33.3Very low31.3Very low101 Ų101139 Ų13984%0.83578%0.784SS**  trans164.4147.3146.700000111.6
240D26.6Very low31.4Very low148 Ų148137 Ų13779%0.79179%0.786SS**  cis-165.2173.4-24.3-164.710.8000109.9
241L29.1Very low31.5Very low138 Ų138136.1 Ų136.172%0.72379%0.787SS**  trans82.688.8152.8-127.672.8000122.1
242S28.9Very low31.4Very low108 Ų108137.4 Ų137.476%0.75580%0.798SS**  54129.1121.8-50.20000124.1
243T36.4Very low31.4Very low134 Ų134136.8 Ų136.882%0.82280%0.799SS**  trans-111.2157.4150.959.10000108.6
244P45.4Very low31.4Very low127 Ų127134.6 Ų134.683%0.82580%0.802SS**  -151.5-176.673.641.3-20.2000117.3
245D31.9Very low31.4Very low150 Ų150136.4 Ų136.480%0.80281%0.811SS**  trans-39.7150.5175.2-105-70.7000119.6
246L29.5Very low31.4Very low175 Ų175134.7 Ų134.792%0.91681%0.812SS**  trans-145117.4141.3-89.4-168.1000114.4
247L31.3Very low31.5Very low158 Ų158135.7 Ų135.783%0.82782%0.817SS**  trans-63.2130168-176.6-179.8000112.5
248A28.3Very low31.8Very low83 Ų83137.6 Ų137.669%0.68682%0.818SS**  trans169.3101.8142.300000116.5
249K29.4Very low31.6Very low207 Ų207139.6 Ų139.690%0.981%0.814SS**  trans147.4140.9141-85.5167.9178.4174.20111.1
250S30.2Very low31.4Very low109 Ų109140.1 Ų140.176%0.76281%0.811SS**  cis-163.8140.9-13.638.60000109.1
251A33.8Very low31.5Very low109 Ų109137.5 Ų137.590%0.90181%0.81SS**  trans-91.3124.517600000111.3
252A29Very low31.5Very low95 Ų95138.8 Ų138.879%0.78581%0.812SS**  trans-158.3109.9162.600000110.8
253V28.2Very low31.7Very low130 Ų130139.3 Ų139.379%0.78882%0.816SS**  trans19.2123.3144-175.50000118.5
254L28.5Very low31.4Very low161 Ų161138.2 Ų138.284%0.84381%0.809SS**  -149.5118.4124.9-112174.2000110
255E32.2Very low30.8Very low174 Ų174137.6 Ų137.681%0.81381%0.805SS**  trans-86.8142.6163.9-65.8175.2117.500108.6
256T31Very low30.4Very low135 Ų135138.9 Ų138.983%0.82881%0.81SS**  trans-137.9106.3162.3380000109
257E37.3Very low30.4Very low184 Ų184135.8 Ų135.886%0.8680%0.803SS**  trans-77.4129.4172.7175.1-178.391.200110.2
258V34.6Very low30.5Very low138 Ų138135.7 Ų135.784%0.83680%0.803SS**  trans-143102.5154.9-171.20000109.1
259E28.5Very low30.8Very low168 Ų168140.8 Ų140.879%0.78581%0.813SS**  trans-5.9115.2144.7-157.2167.2156.200115.5
260S29.3Very low31.4Very low112 Ų112136.5 Ų136.578%0.78381%0.806SS**  84158.874.6-158.40000114.4
261A29.9Very low31.2Very low93 Ų93136.2 Ų136.277%0.76981%0.811SS**  trans64149.2-168.300000115
262E27.8Very low30.9Very low164 Ų164135.4 Ų135.477%0.76680%0.803SS**  cis-137.7161.7-4.1-164.1162.78600110.7V264E262-V264 HydrophobicContact CG-CG2 4.16Å
263S33.3Very low30.8Very low119 Ų119137.2 Ų137.283%0.83281%0.805SS**  trans-133.6112.6175.7-68.60000110.4
264V29.7Very low30.8Very low112 Ų112140 Ų14068%0.67981%0.809SS**  trans-125.1124.9178.6-175.40000109.9E262E262-V264 HydrophobicContact CG-CG2 4.16Å
265P32.5Very low30.9Very low114 Ų114140.6 Ų140.674%0.7481%0.808SS**  trans-81.9145.7174.833.6-33.6000111.3
266I25.3Very low31.8Very low177 Ų177137.7 Ų137.791%0.90880%0.804SS**  trans-85.6128.2168.9-63.1174.7000108.6
267S29Very low32.3Very low110 Ų110136.9 Ų136.977%0.76980%0.801SS**  trans-128.9144.7175.3-170.70000110.1
268D32.4Very low32.1Very low156 Ų156133.7 Ų133.783%0.83479%0.794SS**  trans-72.5133.5168.9-72.2-75.6000110.9
269E34.7Very low31.6Very low189 Ų189132 Ų13288%0.88380%0.795SS**  -169.3164.3116.8-106.1-156.942.200111.3
270P42.7Very low31.6Very low117 Ų117131.2 Ų131.276%0.7680%0.795SS**  trans-92.8164.2-166.937.1-36.6000114.6
271A25.8Very low31.6Very low104 Ų104133.2 Ų133.286%0.8680%0.803SS**  trans-114.9150.2165.800000110.8
272A28.1Very low31.4Very low91 Ų91131.7 Ų131.775%0.75280%0.797SS**  trans-137.4155.5176.400000110.7
273T25.6Very low31.6Very low133 Ų133132.7 Ų132.782%0.81681%0.805SS**  trans69.5110.2164.7-48.20000117.4
274E28.2Very low31.2Very low188 Ų188132.4 Ų132.488%0.87980%0.803SS**  -166.1136.2111.9-104.8-171.8152.800112.6
275E31.7Very low31.6Very low175 Ų175132.3 Ų132.382%0.81881%0.805SS**  trans-85172.4154.6-88.3-162.912700108.4
276P49.7Very low31.3Very low112 Ų112131.4 Ų131.473%0.72781%0.807SS**  cis-149.7-153.338.445.8-21.8000112.7
277P43.1Very low31.6Very low118 Ų118130.3 Ų130.377%0.76680%0.798SS**  cis-133.7161.8-4.339.7-20.7000119.6
278V31.3Very low31.5Very low117 Ų117135.5 Ų135.571%0.70980%0.801SS**  trans-53148.2177.2-164.80000116.9L280V278-L280 HydrophobicContact CG1-CD2 3.96Å; V278-L280 HydrophobicContact CG1-CG 4.07Å
279A24.3Very low31.1Very low104 Ų104131.9 Ų131.986%0.8680%0.8SS**  trans-140.5150144.700000110.3
280L30.3Very low30.7Very low150 Ų150134.8 Ų134.879%0.78580%0.803SS**  trans-113.6135.6-160.3-67.5166.2000115.2V278V278-L280 HydrophobicContact CG1-CD2 3.96Å; V278-L280 HydrophobicContact CG1-CG 4.07Å
281T27.6Very low29.9Very low154 Ų154134.5 Ų134.595%0.94580%0.804SS**  trans164.6147.1139.328.90000110.1
282G26.8Very low30Very low62 Ų62133.8 Ų133.864%0.63980%0.798SS**  cis173.1130.8-1300000112.5
283I31.4Very low29.9Very low184 Ų184136.5 Ų136.594%0.94480%0.8SS**  trans48.4140.7163.937.9175.2000122.5
284S25.6Very low30.1Very low114 Ų114138.1 Ų138.180%0.79780%0.803SS**  trans-86-174.5-178.8-140.20000112.1
285P38.5Very low30.2Very low110 Ų110137.4 Ų137.471%0.71480%0.799SS**  cis-143.2-175.73.643.4-23.9000118.2
286A25.9Very low30.7Very low94 Ų94133.8 Ų133.878%0.77779%0.791SS**  trans75.2158.6156.700000117.8
287E31.2Very low29.5Very low155 Ų155135.3 Ų135.372%0.72480%0.798SS**  cis-133.5153.38.3-97.2-1549900115.5
288R27Very low28.8Very low219 Ų219138.1 Ų138.183%0.82680%0.801SS**  trans-10.6129.8145.3176.5-167.9-68.9118.2-7.6118.7
289G24.5Very low28.6Very low80 Ų80138.8 Ų138.883%0.82581%0.806SS**  trans173.7121.2157.200000115.2
290W24.6Very low29.1Very low250 Ų250142.2 Ų142.295%0.94780%0.804SS**  trans-129.5154.2171.7-166.2-59.3000108.7
291S25.8Very low29.9Very low110 Ų110139.5 Ų139.577%0.76980%0.795SS**  trans81.6143176.2-52.40000114.8
292A28Very low30.1Very low90 Ų90137.4 Ų137.474%0.74479%0.787SS**  cis-134.3138.81.800000109
293D26.5Very low30.5Very low147 Ų147145.5 Ų145.579%0.78680%0.798SS**  66.2108.190.9-155.1-46.9000114
294L31.1Very low31.3Very low168 Ų168142.3 Ų142.388%0.8879%0.789SS**  trans177.5126.1142.7-97.4172.9000111
295E29.7Very low31.5Very low172 Ų172141 Ų14180%0.80479%0.785SS**  trans-85.2173.1168-85.9-108.3114.400111.6
296P41.8Very low31.2Very low100 Ų100140.4 Ų140.465%0.64978%0.784SS**  cis-130.6-168-48.538-21.6000110.2
297V24.9Very low31.4Very low143 Ų143142.9 Ų142.987%0.86778%0.784SS**  trans173.8157.2140.2144.70000113.6
298Q28.6Very low31.5Very low177 Ų177139.9 Ų139.983%0.82779%0.786SS**  trans-68.4151.7-178-62.2-83.48.400116.1
299T26.4Very low31.6Very low132 Ų132134.3 Ų134.381%0.8179%0.787SS**  trans-81.2110.9164.8-59.70000109.7
300E34.3Very low32.1Very low176 Ų176135.2 Ų135.282%0.82279%0.786SS**  99.115080.9-119.8-98.5-1800112.2
301P48.1Very low32.4Very low92 Ų92131 Ų13160%0.59778%0.782SS**  trans-133.1-176.5-150.544.1-28.6000117
302S32Very low32.7Very low111 Ų111128.6 Ų128.678%0.77678%0.775SS**  trans-162.2130149.4-81.40000109.8
303R34.3Very low32.9Very low231 Ų231132.4 Ų132.487%0.87278%0.783SS**  cis87.8145.848.2-86.6-168.8171153-0.1114.1
304P47.6Very low33.2Very low117 Ų117136.8 Ų136.876%0.7679%0.788SS**  -143-157.5-51.239.5-18.5000113.4
305A30.2Very low33.3Very low87 Ų87132.8 Ų132.872%0.71978%0.78SS**  trans83108173.800000115.7
306S33.3Very low34Very low98 Ų98129.6 Ų129.669%0.68578%0.776SS**  8914171.484.30000112
307D30.3Very low33.9Very low146 Ų146132.2 Ų132.278%0.78179%0.785SS**  cis-148.4164.728.8-89.7-71.4000116.2
308A32Very low34.4Very low91 Ų91132.4 Ų132.475%0.75278%0.781SS**  trans55.6117.8145.400000125.2
309A30.8Very low34.6Very low103 Ų103130.1 Ų130.185%0.85178%0.779SS**  84.3143.1125.700000124.2
310A33.9Very low34.9Very low98 Ų98128.7 Ų128.781%0.8177%0.774SS**  trans-28.5162.5172.100000119.2
311D31.2Very low35.1Very low162 Ų162127.8 Ų127.887%0.86677%0.774SS**  cis-167.6164.344.6-171.519.5000113.3
312G31.3Very low34.3Very low59 Ų59131 Ų13161%0.60879%0.786SS**  trans66.7142164.500000119
313N33.4Very low34.2Very low171 Ų171129.6 Ų129.691%0.91478%0.782SS**  cis-155.7163.5-3-131.4-16.7000112.1
314R32.5Very low34Very low238 Ų238125.1 Ų125.190%0.89878%0.78SS**  trans-111.9172174-117.2-177.9-175.8112.6-5.7108.4
315A32.8Very low33.9Very low85 Ų85125.7 Ų125.770%0.70278%0.784SS**  cis-153.1-158.9-0.700000109.7
316S44.9Very low33.8Very low105 Ų105126.1 Ų126.173%0.73479%0.787SS**  trans-89.5-154.6178.5-520000113.4
317D39.8Very low33.7Very low155 Ų155126.6 Ų126.683%0.82980%0.797SS**  trans90142.3164.6-49.4-21.7000115.1
318D35.6Very low33.7Very low147 Ų147124.6 Ų124.679%0.78680%0.801SS**  cis-160.5177.8-6.9173.1-125.1000109.8
319V31.7Very low34Very low129 Ų129126.6 Ų126.678%0.78280%0.803SS**  trans144.7148.3138.4170.40000113.5
320S34.1Very low34Very low102 Ų102129.8 Ų129.871%0.71380%0.801SS**  trans-137.7-175.7-161.4-173.30000114.1
321L37.3Very low33.8Very low156 Ų156132 Ų13282%0.81780%0.799SS**  trans113.997.1155.8-57.8178.3000120.2
322D31.6Very low33.9Very low160 Ų160132.8 Ų132.886%0.85679%0.794SS**  60.9159.8115.7-159.143.6000124.5
323A30.7Very low34.5Very low82 Ų82135.6 Ų135.668%0.67880%0.802SS**  trans112.8139.2150.400000118.8
324T30.3Very low34.5Very low136 Ų136130.7 Ų130.783%0.83479%0.785SS**  trans-134.8143178.5-69.50000110.2
325P43.8Very low34.4Very low130 Ų130128.2 Ų128.284%0.84478%0.784SS**  trans-130.1176.3148.436.5-23.5000112.8
326A28.9Very low34.1Very low96 Ų96127.4 Ų127.479%0.79378%0.783SS**  trans-133.8176.1-163.700000115.2
327A31.8Very low33.2Very low107 Ų107130.1 Ų130.188%0.88479%0.79SS**  trans82.2114.5157.700000120.1
328A30.4Very low33.1Very low104 Ų104130.5 Ų130.586%0.8679%0.791SS**  trans-133.5171155.400000108.6
329V37.3Very low33.4Very low133 Ų133128.9 Ų128.981%0.80679%0.788SS**  trans-144.3168.9-159.1146.30000112.4
330Q30.6Very low33.3Very low171 Ų171128.1 Ų128.180%0.79979%0.789SS**  trans95.6132178.4-53.9-169.211.500115.9
331D30.6Very low33.4Very low144 Ų144127.7 Ų127.777%0.7779%0.791SS**  cis-159.3168.2-22.1-121.1-44.7000113.2
332K32.3Very low33.5Very low178 Ų178126.5 Ų126.577%0.77479%0.793SS**  trans-109.5-172.9168.2-127.5-160.3171.3-170.50109.2
333P44.1Very low33.3Very low119 Ų119123.4 Ų123.477%0.77379%0.79SS**  cis-125.9-157.620.536.6-12000112.1
334A33.7Very low33.3Very low67 Ų67126.2 Ų126.255%0.55480%0.798SS**  cis-156.1-171.314.300000113.2
335E29.9Very low33.5Very low187 Ų187128.8 Ų128.887%0.87480%0.801SS**  trans-34.7165.8175.4-73.6109.4108.500120.2
336G26.6Very low32.8Very low67 Ų67127.2 Ų127.269%0.69179%0.793SS**  cis167.1-171.8-0.600000114.5
337D26.9Very low33Very low162 Ų162127 Ų12787%0.86679%0.791SS**  trans51.7128.5170.4-70.8-44.9000122.9
338L36.7Very low32.9Very low163 Ų163125.9 Ų125.985%0.85378%0.782SS**  trans-99.9145.8146.9-67.1172.2000106.4
339P43Very low32.8Very low113 Ų113128.6 Ų128.673%0.73478%0.777SS**  -157-174.980.741.7-21.7000117.2
340S28.8Very low32.3Very low114 Ų114130.8 Ų130.880%0.79778%0.776SS**  trans80.2117.3151.7-58.60000120.3
341A35.3Very low32.6Very low92 Ų92130.2 Ų130.276%0.7677%0.773SS**  trans-76.116415100000110.6
342P41.2Very low32.8Very low132 Ų132128.7 Ų128.786%0.85777%0.771SS**  -137.9-172.689.641.7-27.5000111.2
343A27.2Very low32.6Very low95 Ų95123.9 Ų123.979%0.78576%0.764SS**  cis-146.6167.714.100000114.2
344V30.8Very low32.4Very low140 Ų140127.4 Ų127.485%0.84877%0.771SS**  trans-77.3154.2-178.3-73.10000115.1
345E32.7Very low32.2Very low190 Ų190131 Ų13189%0.88878%0.776SS**  trans-148.596.4131.4-161.7167.6129.500107.5
346S30.9Very low32.2Very low97 Ų97131 Ų13168%0.67878%0.776SS**  66.8107107.3-156.70000113.7
347A31.4Very low32.1Very low93 Ų93135.7 Ų135.777%0.76978%0.78SS**  65.1135.460.400000113.1
348A31.4Very low32.2Very low83 Ų83133.1 Ų133.169%0.68678%0.775SS**  cis-130.5-149.21.200000110.2
349E26.5Very low32Very low161 Ų161133.3 Ų133.375%0.75278%0.776SS**  cis-166.2-175.610.9-152.5156.375.600111.1
350F28.5Very low31.6Very low178 Ų178133.9 Ų133.978%0.78178%0.779SS**  trans67.679.4169-72-77.5000120.6
351E36.2Very low31.5Very low159 Ų159132.8 Ų132.874%0.74378%0.777SS**  -58.7154.2129.5-92.8-64.1136.200110.4
352P33.8Very low31.3Very low113 Ų113134.8 Ų134.873%0.73478%0.78SS**  -155170.17643-23.6000119.7
353A28Very low30.8Very low76 Ų76136.4 Ų136.463%0.62878%0.776SS**  trans88.989.9142.700000118.9
354E40.5Very low30.9Very low194 Ų194139.9 Ų139.991%0.90778%0.776SS**  -66127.3122.1-68-166.111200109.2
355E28.9Very low30.9Very low142 Ų142138.5 Ų138.566%0.66477%0.768SS**  trans-132.3109.4157.8-168.5-178.6129.900108.8Q357E355-Q357 HydrophobicContact CG-CG 4.41Å; E355-Q357 PolarHBondContact O-N 3.2Å; E355-Q357 WeakPolarHBondContact OE1-CG 3.45Å; E355-Q357 PolarHBondContact OE1-NE2 3.41Å
356Q29.9Very low31.4Very low187 Ų187135.5 Ų135.587%0.87477%0.765SS**  trans-77.5115.1167.1-60.2178.1-61.400108.2
357Q26.1Very low31.1Very low165 Ų165136.8 Ų136.877%0.77177%0.769SS**PPolyproline II helixtrans-92121.3164.6-72.8-162-8.900110.8E355E355-Q357 HydrophobicContact CG-CG 4.41Å; E355-Q357 PolarHBondContact O-N 3.2Å; E355-Q357 WeakPolarHBondContact OE1-CG 3.45Å; E355-Q357 PolarHBondContact OE1-NE2 3.41Å
358S27.3Very low31.1Very low109 Ų109137.4 Ų137.476%0.76277%0.768SS**PPolyproline II helixtrans-73.7143.2-175.743.10000112.6
359L32.6Very low30.9Very low166 Ų166138.9 Ų138.987%0.86977%0.768SS**PPolyproline II helixtrans-82.6136.8149.5-64.6173.2000107.6
360P34.9Very low31.1Very low125 Ų125138.5 Ų138.581%0.81277%0.77SS**PPolyproline II helixtrans-69.8146.1173.229.6-34000110.9
361A26.3Very low31.1Very low91 Ų91136.1 Ų136.175%0.75277%0.77SS**PPolyproline II helixtrans-93.8153.9-175.600000113.6
362V31.2Very low30.8Very low134 Ų134134.5 Ų134.581%0.81277%0.771SS**  trans-148.2103.7138.6-170.90000103.2
363E31Very low31.1Very low166 Ų166134.6 Ų134.678%0.77677%0.772SS**  67.1124.970.8-165.5-172.7165.500111.2
364E30.5Very low31.5Very low169 Ų169136.4 Ų136.479%0.7978%0.778SS**  cis-152.8172.7-9.8-110.7-7789.400107.4
365T30.8Very low31.5Very low110 Ų110132.9 Ų132.968%0.67577%0.771SS**  trans-109.9150.4168-21.50000109.2
366P41.5Very low32.5Very low128 Ų128132.3 Ų132.383%0.83178%0.78SS**  -155-168.195.239.9-19.3000115.7
367T26.6Very low32.5Very low123 Ų123127.6 Ų127.676%0.75577%0.773SS**  trans-101.7158.4-165.2-53.90000114.4
368S29.6Very low32.9Very low107 Ų107129.4 Ų129.475%0.74878%0.782SS**  trans75.6152.9157.7-900000119.3
369T28.5Very low33Very low114 Ų114127.7 Ų127.770%0.69978%0.781SS**  cis-168.5173.6-10.5-105.70000111.4
370L29.5Very low32.9Very low152 Ų152125.2 Ų125.280%0.79678%0.777SS**  trans90.7140.3173.5-116.567.3000114.1
371V29.6Very low32.9Very low129 Ų129129.9 Ų129.978%0.78278%0.779SS**  cis-141.1163.937.8172.30000113.8
372T30.7Very low33.7Very low124 Ų124133.6 Ų133.676%0.76178%0.781SS**  trans-123.6137.6-177.1-55.10000109.7
373P38.2Very low33.9Very low115 Ų115136.8 Ų136.875%0.74779%0.787SS**  -156.1-160.381.344.5-23.6000114.1
374P36.7Very low34.2Very low115 Ų115132 Ų13275%0.74778%0.782SS**  cis-119.5-171.1-2340.9-25.1000112.6
375P40.5Very low34.8Very low120 Ų120129.4 Ų129.478%0.77978%0.783SS**  trans-107.7-165.9-178.146.8-38000113
376P50.8Low35.7Very low129 Ų129128.6 Ų128.684%0.83880%0.796SS**  -131.6165.2-101.935.9-14.9000117.7
377A30.4Very low36.4Very low89 Ų89130.7 Ų130.774%0.73679%0.792SS**  trans-158.5116.4158.200000108.2
378E33.4Very low38.2Very low203 Ų203133.6 Ų133.695%0.94980%0.798SS**  63.6117.692.4-67.4-162151.300115.6
379G29.7Very low40.1Very low73 Ų73131.5 Ų131.575%0.75378%0.781SS**  trans156.368.5174.200000118.5
380S30.8Very low42Very low113 Ų113130.6 Ų130.679%0.7977%0.772SS**  trans29.2117.515258.70000123.7
381R35.1Very low43.6Very low223 Ų223128.3 Ų128.384%0.84277%0.766SS**  trans62.1116.9131.5-70.9-172.8174.6136.90.7123.6
382E42.3Very low45.4Very low170 Ų170126.4 Ų126.479%0.79476%0.764SS**  65.2158.8124.5-62.6-173.7128.600122.7
383E36.6Very low46.8Very low201 Ų201127.7 Ų127.794%0.93977%0.766SS**  trans61.6160.8178.8-57.7-166.7108.500115.9
384G36Very low47.9Very low66 Ų66126.9 Ų126.968%0.6875%0.753SS**  cis-164.6174.8-3.900000109.5G386G384-G386 PolarHBondContact O-N 2.97Å
385S44.6Very low49Very low114 Ų114128.7 Ų128.780%0.79776%0.757SS**  trans-66.4127.3-179.855.90000111.8F387S385-F387 VanDerWaalsContact C-N 3.34Å; S385-F387 PolarHBondContact O-N 3.08Å
386G48.1Very low50.1Low93 Ų93130 Ų13096%0.95975%0.75SS**  trans-66.481.7-179.200000114.1G384G384-G386 PolarHBondContact O-N 2.97Å
387F57.7Low50.5Low171 Ų171126.4 Ų126.475%0.7574%0.737SS**  trans-114.8115.8166.1-178.9-95.9000108.8S385 P389S385-F387 VanDerWaalsContact C-N 3.34Å; S385-F387 PolarHBondContact O-N 3.08Å; F387-P389 HydrophobicContact CE1-CB 4.09Å
388Q64.5Low51.7Low185 Ų185132 Ų13286%0.86475%0.748SS**  trans-106107.2178.5-165.5170.233.200108.1
389P68.3Low52.8Low62 Ų62126 Ų12640%0.40373%0.728SS.*  trans-67.4147.3179.227.8-33.6000110.9F387 P391 M394F387-P389 HydrophobicContact CE1-CB 4.09Å; P389-P391 WeakPolarHBondContact O-CD 3.11Å; P389-M394 HydrophobicContact CG-CE 4.49Å; P389-M394 HydrophobicContact CG-SD 4.23Å
390D68.1Low54.3Low95 Ų95124.6 Ų124.651%0.50871%0.707SS.*  trans-66.9120.3175.8-171.6-24.6000109.7A392 L393D390-A392 PolarHBondContact O-N 3.19Å; D390-A392 VanDerWaalsContact O-N 3.14Å; D390-A392 PolarHBondContact OD1-N 3.12Å; D390-L393 HydrophobicContact CB-CD1 4.4Å; D390-L393 PolarHBondContact O-N 3.22Å
391P64.2Low55.7Low104 Ų104124.9 Ų124.968%0.67571%0.706SS**G310 helixtrans-62.3-21.2-177.625.5-34.9000113.4P389 L393 M394P389-P391 WeakPolarHBondContact O-CD 3.11Å; P391-L393 PolarHBondContact O-N 2.99Å; P391-M394 PolarHBondContact O-N 2.77Å
392A65.9Low56.9Low90 Ų90121.7 Ų121.774%0.74470%0.701SS**G310 helixtrans-73-7.6174.500000114D390D390-A392 PolarHBondContact O-N 3.19Å; D390-A392 VanDerWaalsContact O-N 3.14Å; D390-A392 PolarHBondContact OD1-N 3.12Å
393L60.4Low57.6Low150 Ų150117.1 Ų117.179%0.78568%0.682SS**G310 helixtrans-113.57.5177.9-71.9171.5000113.6D390 P391 D395D390-L393 HydrophobicContact CB-CD1 4.4Å; D390-L393 PolarHBondContact O-N 3.22Å; P391-L393 PolarHBondContact O-N 2.99Å; L393-D395 PolarHBondContact O-N 3.08Å
394M61.6Low58.7Low98 Ų98115.7 Ų115.748%0.48368%0.675SS.*  trans-85.6110173.1-61.1-125.682.200109.9P389 P391 F396P389-M394 HydrophobicContact CG-CE 4.49Å; P389-M394 HydrophobicContact CG-SD 4.23Å; P391-M394 PolarHBondContact O-N 2.77Å; M394-F396 HydrophobicContact CB-CD2 4.27Å; M394-F396 HydrophobicContact CB-CE1 4.43Å; M394-F396 HydrophobicContact CB-CE2 3.61Å; M394-F396 HydrophobicContact CB-CZ 3.7Å; M394-F396 WeakPolarHBondContact O-CD2 3.5Å; M394-F396 WeakPolarHBondContact O-CE2 3.42Å; M394-F396 PolarHBondContact O-N 3.01Å
395D60.9Low59.9Low154 Ų154118.2 Ų118.282%0.82467%0.673SS**  trans-77.895.2173.4-17510.2000109.9L393 G397L393-D395 PolarHBondContact O-N 3.08Å; D395-G397 PolarHBondContact O-N 2.92Å
396F62.4Low60.5Low146 Ų146118.3 Ų118.364%0.6466%0.664SS**  trans-75.971.2175.1-62.3-80.4000110.2M394 Q398M394-F396 HydrophobicContact CB-CD2 4.27Å; M394-F396 HydrophobicContact CB-CE1 4.43Å; M394-F396 HydrophobicContact CB-CE2 3.61Å; M394-F396 HydrophobicContact CB-CZ 3.7Å; M394-F396 WeakPolarHBondContact O-CD2 3.5Å; M394-F396 WeakPolarHBondContact O-CE2 3.42Å; M394-F396 PolarHBondContact O-N 3.01Å; F396-Q398 PolarHBondContact O-N 2.78Å
397G59.5Low60.8Low55 Ų55124 Ų12457%0.56766%0.658SS**THydrogen-bonded Turntrans-56.9103.7-168.100000114.9D395 S399D395-G397 PolarHBondContact O-N 2.92Å; G397-S399 PolarHBondContact O-N 2.92Å; G397-S399 VanDerWaalsContact O-N 3.13Å
398Q55.4Low60.9Low207 Ų207120.7 Ų120.797%0.96766%0.656SS**THydrogen-bonded Turntrans54.722.2173.1-62.1-163.7-8.900117.1F396F396-Q398 PolarHBondContact O-N 2.78Å
399S57.9Low60.5Low75 Ų75118.1 Ų118.152%0.52465%0.654SS.*  trans-119.9102.6166.6580000109.1G397G397-S399 PolarHBondContact O-N 2.92Å; G397-S399 VanDerWaalsContact O-N 3.13Å
400S60.7Low59.8Low44 Ų44126.8 Ų126.831%0.30868%0.678SS.*  trans-74.2150.2169.380.20000109.2E402 D403S400-E402 PolarHBondContact O-N 3.1Å; S400-E402 VanDerWaalsContact OG-CG 3.23Å; S400-E402 WeakPolarHBondContact OG-CG 3.18Å; S400-E402 PolarHBondContact OG-N 2.79Å; S400-D403 WeakPolarHBondContact CB-OD2 3.38Å; S400-D403 PolarHBondContact N-OD2 2.99Å; S400-D403 PolarHBondContact O-N 3.15Å; S400-D403 VanDerWaalsContact OG-CG 3.28Å; S400-D403 PolarHBondContact OG-N 2.88Å; S400-D403 PolarHBondContact OG-OD2 3.05Å
401P60.6Low58.8Low119 Ų119131.3 Ų131.377%0.77372%0.717SS**THydrogen-bonded Turntrans-70.52.5175.331.8-36.3000113
402E58.8Low58.6Low156 Ų156132.7 Ų132.773%0.72972%0.719SS**THydrogen-bonded Turntrans-111.613.9179.252.5-157.5132.900112.3S400S400-E402 PolarHBondContact O-N 3.1Å; S400-E402 VanDerWaalsContact OG-CG 3.23Å; S400-E402 WeakPolarHBondContact OG-CG 3.18Å; S400-E402 PolarHBondContact OG-N 2.79Å
403D58Low58.2Low75 Ų75134.9 Ų134.940%0.40172%0.718SS.*SBendtrans-101.1-7.5168.2-70.4-67.2000113.7S400 D405S400-D403 WeakPolarHBondContact CB-OD2 3.38Å; S400-D403 PolarHBondContact N-OD2 2.99Å; S400-D403 PolarHBondContact O-N 3.15Å; S400-D403 VanDerWaalsContact OG-CG 3.28Å; S400-D403 PolarHBondContact OG-N 2.88Å; S400-D403 PolarHBondContact OG-OD2 3.05Å; D403-D405 PolarHBondContact O-N 3.09Å
404E58.8Low58.1Low171 Ų171134.1 Ų134.180%0.79971%0.714SS**THydrogen-bonded Turntrans-70.7-25.4-168.3-170.3169.7-158.100114.1
405D60.7Low57.8Low118 Ų118136.2 Ų136.263%0.63173%0.728SS**THydrogen-bonded Turntrans-89-17.1-176.963.4-11000114.4D403 Y407 S408D403-D405 PolarHBondContact O-N 3.09Å; D405-Y407 PolarHBondContact O-N 3.35Å; D405-Y407 VanDerWaalsContact O-N 3.11Å; D405-S408 PolarHBondContact O-N 3.29Å
406L57.9Low57.7Low116 Ų116135.1 Ų135.161%0.60772%0.722SS**THydrogen-bonded Turntrans-66.2-14.1-174.7-70.7176.3000115.4
407Y54.4Low57.3Low212 Ų212134.3 Ų134.383%0.83173%0.727SS**THydrogen-bonded Turntrans-107.3-1.6-177-73.6-80.6000115.5D405 T409D405-Y407 PolarHBondContact O-N 3.35Å; D405-Y407 VanDerWaalsContact O-N 3.11Å; Y407-T409 PolarHBondContact O-N 3.47Å
408S60.6Low57.2Low103 Ų103140 Ų14072%0.7274%0.739SS**SBendtrans-82.7-6.4-174.5-80.60000116.2D405D405-S408 PolarHBondContact O-N 3.29Å
409T55.7Low57.3Low131 Ų131134.8 Ų134.880%0.80472%0.721SS**  trans-111.148.6-171570000114.5Y407Y407-T409 PolarHBondContact O-N 3.47Å
410R54.3Low57.3Low243 Ų243139.8 Ų139.892%0.91774%0.737SS**  trans-138.764.4173.5-152172.3-163.1-97.20.6114.4
411S46.7Very low57Low190 Ų190148.5 Ų148.5100%1.32978%0.776SS**  trans-103.20164.462.70000110.8

Retrieved 411 of 411 residues in 161.3 ms (Link to these results)