A0A5K4EB14_SCHMA Loading...

Rho-GAP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EB14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 636 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.5Very low37.1Very low237 Ų237151.1 Ų151.1100%1.16776%0.757SS**  096.20-74.9168.353.400106.8
2L35.5Very low37.1Very low172 Ų172150.2 Ų150.290%0.90176%0.756SS**  trans-92.1111.5169.9-71.9166.2000104.8E4L2-E4 PolarHBondContact O-N 3.23Å; L2-E4 VanDerWaalsContact O-N 3.08Å
3E37.9Very low37.3Very low182 Ų182147.5 Ų147.585%0.8575%0.752SS**  trans-57.6111.9172.4-83.4170.8150.900107.8L5E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.42Å
4E37.8Very low37Very low176 Ų176148.8 Ų148.882%0.82275%0.753SS**  trans-64.398.4167.3-71.4-178171.800106.7L2 Y6L2-E4 PolarHBondContact O-N 3.23Å; L2-E4 VanDerWaalsContact O-N 3.08Å; E4-Y6 PolarHBondContact O-N 3.29Å
5L32.7Very low36.6Very low154 Ų154148 Ų14881%0.80675%0.752SS**  trans-55.7103.3171.5-80.7157.4000108E3 I7E3-L5 VanDerWaalsContact C-N 3.31Å; E3-L5 PolarHBondContact O-N 3.42Å; L5-I7 PolarHBondContact O-N 2.93Å
6Y33.5Very low36.5Very low174 Ų174145.9 Ų145.968%0.68274%0.743SS**  trans-62.7122.9176.9-121.4-104.2000108.1E4 D8 D9E4-Y6 PolarHBondContact O-N 3.29Å; Y6-D8 PolarHBondContact O-N 3.35Å; Y6-D9 PolarHBondContact O-N 2.81Å
7I41.8Very low36.3Very low136 Ų136147.3 Ų147.370%0.69775%0.753SS**THydrogen-bonded Turntrans-63-15.8-174.4-64169.6000111.9L5 D9 L10L5-I7 PolarHBondContact O-N 2.93Å; I7-D9 PolarHBondContact O-N 3.31Å; I7-L10 PolarHBondContact O-N 3.11Å
8D43.2Very low36.2Very low104 Ų104147 Ų14756%0.55675%0.745SS**Hα-helixtrans-63.2-28.4177.6-67.5-24.7000112.5Y6 L10 S11Y6-D8 PolarHBondContact O-N 3.35Å; D8-L10 PolarHBondContact O-N 3.24Å; D8-S11 PolarHBondContact O-N 2.92Å; D8-S11 VanDerWaalsContact O-N 3.07Å; D8-S11 PolarHBondContact O-OG 3.26Å
9D43.8Very low36.2Very low126 Ų126146.5 Ų146.567%0.67475%0.75SS**Hα-helixtrans-67-18.6174.9-76.9-11.7000113.2Y6 I7Y6-D9 PolarHBondContact O-N 2.81Å; I7-D9 PolarHBondContact O-N 3.31Å
10L36.7Very low35.9Very low133 Ų133141.9 Ų141.970%0.69674%0.74SS**Hα-helixtrans-87-17.8174.3-90.2133.5000113I7 D8I7-L10 PolarHBondContact O-N 3.11Å; D8-L10 PolarHBondContact O-N 3.24Å
11S31Very low35.7Very low68 Ų68141.9 Ų141.948%0.47674%0.741SS.*Hα-helixtrans-84.9-22.1-17670.60000113.7D8 V13 H14D8-S11 PolarHBondContact O-N 2.92Å; D8-S11 VanDerWaalsContact O-N 3.07Å; D8-S11 PolarHBondContact O-OG 3.26Å; S11-V13 VanDerWaalsContact C-N 3.25Å; S11-V13 PolarHBondContact O-N 3.17Å; S11-H14 PolarHBondContact O-N 3.49Å
12D36.3Very low35.6Very low140 Ų140142.3 Ų142.375%0.74973%0.73SS**THydrogen-bonded Turntrans-77.5-7.9-179.6-111.9-0.8000114.1H14D12-H14 VanDerWaalsContact C-N 3.31Å; D12-H14 PolarHBondContact O-N 2.73Å
13V39.8Very low35.5Very low115 Ų115139.9 Ų139.970%0.69772%0.722SS**THydrogen-bonded Turntrans-80.1-14.4177.6-173.20000112.2S11S11-V13 VanDerWaalsContact C-N 3.25Å; S11-V13 PolarHBondContact O-N 3.17Å
14H33.2Very low35.3Very low166 Ų166136.7 Ų136.777%0.76972%0.72SS**SBendtrans-105.9-0.1-170.5-86.2-57.7000117.1S11 D12S11-H14 PolarHBondContact O-N 3.49Å; D12-H14 VanDerWaalsContact C-N 3.31Å; D12-H14 PolarHBondContact O-N 2.73Å
15N31.1Very low35.2Very low137 Ų137133 Ų13373%0.73371%0.714SS**  trans-111.43.4-176.6-84.4-22.5000116.5N17N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.86Å
16D35.2Very low35.1Very low114 Ų114131.3 Ų131.361%0.6171%0.706SS**  trans-79.886.3168.1-96.4-25.4000110.4K18D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 IonicContact OD1-NZ 2.79Å; D16-K18 PolarHBondContact OD1-NZ 2.78Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.09Å
17N33.4Very low35.1Very low170 Ų170129.1 Ų129.191%0.90971%0.706SS**  trans-5723.4159.3-103.8-21.6000113.7N15 T19N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.86Å; N17-T19 PolarHBondContact O-N 3.26Å
18K34.6Very low34.5Very low142 Ų142133.7 Ų133.762%0.61771%0.714SS**SBendtrans-94.496.2175-66.4-179.4-170.7118.40106.9D16 G20D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 IonicContact OD1-NZ 2.79Å; D16-K18 PolarHBondContact OD1-NZ 2.78Å; D16-K18 IonicContact OD2-NZ 3.49Å; D16-K18 PolarHBondContact OD2-NZ 3.09Å; K18-G20 PolarHBondContact O-N 2.78Å
19T35Very low34.3Very low138 Ų138131.9 Ų131.985%0.84771%0.71SS**  trans17.540.7134.832.60000118.8N17 N21N17-T19 PolarHBondContact O-N 3.26Å; T19-N21 PolarHBondContact O-N 2.86Å
20G30.3Very low33.6Very low53 Ų53135.6 Ų135.655%0.54671%0.714SS.*  trans-79.782.6169.900000105.9K18 W22K18-G20 PolarHBondContact O-N 2.78Å; G20-W22 VanDerWaalsContact C-N 3.31Å; G20-W22 VanDerWaalsContact O-CD1 3.24Å; G20-W22 PolarHBondContact O-N 2.86Å
21N32Very low33.5Very low142 Ų142136 Ų13676%0.75972%0.716SS**  trans-51.2104.8164.4-78-18.4000106.7T19 T23T19-N21 PolarHBondContact O-N 2.86Å; N21-T23 PolarHBondContact O-N 2.92Å
22W33.1Very low33.7Very low246 Ų246136.5 Ų136.593%0.93272%0.72SS**  trans-61.592.1168.4-73.577.7000106G20 S24G20-W22 VanDerWaalsContact C-N 3.31Å; G20-W22 VanDerWaalsContact O-CD1 3.24Å; G20-W22 PolarHBondContact O-N 2.86Å; W22-S24 PolarHBondContact O-N 2.77Å
23T32.8Very low33.6Very low121 Ų121140.4 Ų140.474%0.74272%0.724SS**  trans-62.3107.2171.849.60000105.8N21 S25N21-T23 PolarHBondContact O-N 2.92Å; T23-S25 PolarHBondContact O-N 2.8Å
24S35.2Very low33.3Very low115 Ų115143.5 Ų143.580%0.80473%0.725SS**  trans-6733177.467.10000112.7W22 N26W22-S24 PolarHBondContact O-N 2.77Å; S24-N26 PolarHBondContact O-N 2.91Å
25S34.8Very low33.2Very low99 Ų99146.3 Ų146.369%0.69273%0.728SS**  trans-90.611.5-164.1-164.50000114T23T23-S25 PolarHBondContact O-N 2.8Å
26N30Very low33.4Very low119 Ų119145.5 Ų145.564%0.63672%0.72SS**SBendtrans-130.1-0.9-178.7-123.7-0.3000117.7S24S24-N26 PolarHBondContact O-N 2.91Å
27D33.4Very low33.4Very low128 Ų128145.1 Ų145.168%0.68473%0.727SS**SBendtrans-89.8-19.9177-73.4-27.5000114L31D27-L31 PolarHBondContact O-N 3.2Å
28R30.6Very low33.7Very low232 Ų232146.6 Ų146.688%0.87572%0.721SS**Hα-helixtrans-76-27.7178.8-95.7-175.8171.1-174.8-1.9114.5S32R28-S32 PolarHBondContact O-OG 2.88Å
29S38Very low33.8Very low65 Ų65143.7 Ų143.746%0.45572%0.718SS.*Hα-helixtrans-86.1-17.1-178.144.20000113.5
30R29.4Very low33.6Very low205 Ų205142.2 Ų142.277%0.77471%0.713SS**Hα-helixtrans-92-32.4173.8-73.4-17671.6-176.9-0113.7
31L33.5Very low34Very low141 Ų141144.1 Ų144.174%0.73871%0.71SS**Hα-helixtrans-78.6-19.2179.3-110.589.4000114.7D27 R33D27-L31 PolarHBondContact O-N 3.2Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.04Å
32S36.9Very low34.4Very low79 Ų79142.8 Ų142.855%0.55271%0.707SS**G310 helixtrans-78.8-10.3-177430000114.7R28R28-S32 PolarHBondContact O-OG 2.88Å
33R33.6Very low34.8Very low221 Ų221138.6 Ų138.683%0.83470%0.703SS**G310 helixtrans-90.8-5.6174.5-63.7-165.3-148.7-175.45.3114.7L31L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.04Å
34Y32.9Very low35Very low180 Ų180139.3 Ų139.371%0.70670%0.702SS**G310 helixtrans-107.143.5168.2-82.2-85.6000110.7E36Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 WeakPolarHBondContact CE1-OE1 3.43Å; Y34-E36 PolarHBondContact O-N 3.37Å
35R32.3Very low34.9Very low225 Ų225139.7 Ų139.785%0.84969%0.694SS**  trans-76.471142.9-82.1-171.5174.4179.7-1.9106.6S37R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.38Å
36E35.1Very low34.9Very low121 Ų121139.8 Ų139.857%0.56569%0.692SS**  trans-57.4107.9151.1-79.1175.6176.600104.4Y34 Y38Y34-E36 HydrophobicContact CD1-CG 4.06Å; Y34-E36 WeakPolarHBondContact CE1-OE1 3.43Å; Y34-E36 PolarHBondContact O-N 3.37Å; E36-Y38 PolarHBondContact O-N 3.02Å
37S33.8Very low35.2Very low106 Ų106141.2 Ų141.274%0.74170%0.699SS**  trans-50.790.5161.7-550000106.3R35 C39R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 3.38Å; S37-C39 PolarHBondContact O-N 3.06Å
38Y40.1Very low35.4Very low201 Ų201142.9 Ų142.979%0.78871%0.707SS**  trans-6097.6155.9-78.6-79.6000104E36 S40E36-Y38 PolarHBondContact O-N 3.02Å; Y38-S40 PolarHBondContact O-N 2.77Å; Y38-S40 VanDerWaalsContact O-N 3.13Å
39C36.2Very low35.5Very low81 Ų81136.9 Ų136.955%0.54770%0.699SS.*  trans-45.9123.7172.8-66.30000107S37 D41S37-C39 PolarHBondContact O-N 3.06Å; C39-D41 HydrophobicContact CB-CB 4.14Å; C39-D41 PolarHBondContact O-N 2.81Å
40S32.7Very low35.1Very low106 Ų106139.6 Ų139.674%0.74171%0.713SS**G310 helixtrans-60.320.8167.7-31.40000112.8Y38Y38-S40 PolarHBondContact O-N 2.77Å; Y38-S40 VanDerWaalsContact O-N 3.13Å
41D36.9Very low35.3Very low94 Ų94138.6 Ų138.650%0.50372%0.715SS.*G310 helixtrans-100.49.8-171.8-61.3-28.8000112.1C39 D43 L44C39-D41 HydrophobicContact CB-CB 4.14Å; C39-D41 PolarHBondContact O-N 2.81Å; D41-D43 PolarHBondContact O-N 3.17Å; D41-L44 PolarHBondContact O-N 3.15Å
42V41.4Very low35.1Very low114 Ų114137.7 Ų137.769%0.69172%0.715SS**G310 helixtrans-64.9-19.5167.2-174.30000110.7L44V42-L44 PolarHBondContact O-N 3.5Å
43D41Very low34.6Very low158 Ų158139.1 Ų139.185%0.84572%0.72SS**G310 helixtrans-75.2-3.7170.9-69-21000113.7D41D41-D43 PolarHBondContact O-N 3.17Å
44L36.9Very low34.5Very low136 Ų136133.4 Ų133.471%0.71271%0.71SS**G310 helixtrans-1123.9179.5-82.8162.7000114.4D41 V42 P46D41-L44 PolarHBondContact O-N 3.15Å; V42-L44 PolarHBondContact O-N 3.5Å; L44-P46 WeakPolarHBondContact O-CD 3.36Å
45L33Very low34.3Very low123 Ų123131.7 Ų131.764%0.64471%0.713SS**SBendtrans-72.3113.7164.1-76.1170.5000107.8L47L45-L47 PolarHBondContact O-N 3.2Å
46P34.7Very low34.2Very low101 Ų101127 Ų12766%0.65670%0.703SS**  trans-54.5135.117222.4-30.7000107.6L44 L48L44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-L48 PolarHBondContact O-N 3.35Å
47L36.4Very low33.9Very low149 Ų149128.8 Ų128.878%0.7871%0.711SS**  trans-48.4103.2174.8-95.685.2000108.2L45 C49 T50L45-L47 PolarHBondContact O-N 3.2Å; L47-C49 CarbonylContact O-C 3.59Å; L47-C49 PolarHBondContact O-N 3.11Å; L47-T50 PolarHBondContact O-N 2.9Å
48L39.1Very low33.9Very low162 Ų162132.4 Ų132.485%0.84872%0.716SS**SBendtrans-67.64174.1-81.5164.7000112.2P46P46-L48 PolarHBondContact O-N 3.35Å
49C32.4Very low33.6Very low106 Ų106128.8 Ų128.872%0.71671%0.711SS**  trans-101.463.9164.5-57.80000109L47 K51L47-C49 CarbonylContact O-C 3.59Å; L47-C49 PolarHBondContact O-N 3.11Å; C49-K51 PolarHBondContact O-N 2.9Å
50T29.7Very low33.5Very low122 Ų122132.2 Ų132.275%0.74872%0.724SS**  trans-59.497151.6-1.90000105L47 V52L47-T50 PolarHBondContact O-N 2.9Å; T50-V52 VanDerWaalsContact C-N 3.27Å; T50-V52 PolarHBondContact O-N 2.71Å
51K32.1Very low33.6Very low185 Ų185134.4 Ų134.480%0.80473%0.725SS**  trans-50.9106.5159-93.9-178.6173.5178.90104.5C49 T53C49-K51 PolarHBondContact O-N 2.9Å; K51-T53 PolarHBondContact O-N 2.87Å
52V29.6Very low33.5Very low122 Ų122136.1 Ų136.174%0.73973%0.734SS**  trans-64.488.9161.8-178.30000103.9T50 V54T50-V52 VanDerWaalsContact C-N 3.27Å; T50-V52 PolarHBondContact O-N 2.71Å; V52-V54 HydrophobicContact CG1-CG2 3.77Å; V52-V54 PolarHBondContact O-N 2.93Å
53T27.1Very low33Very low109 Ų109138 Ų13867%0.66974%0.741SS**  trans-64.791159.537.90000104.6K51 D55K51-T53 PolarHBondContact O-N 2.87Å; T53-D55 VanDerWaalsContact C-N 3.35Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 VanDerWaalsContact O-N 3.1Å
54V32.1Very low32.7Very low100 Ų100133.6 Ų133.661%0.60672%0.722SS**  trans-66.1106.8162-172.40000104V52 I56V52-V54 HydrophobicContact CG1-CG2 3.77Å; V52-V54 PolarHBondContact O-N 2.93Å; V54-I56 HydrophobicContact CB-CD1 4.43Å; V54-I56 HydrophobicContact CB-CG1 3.93Å; V54-I56 HydrophobicContact CG1-CD1 4.13Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 2.88Å
55D28.6Very low32.8Very low144 Ų144133.2 Ų133.277%0.7772%0.721SS**  trans-64.277.3163.7-79.9-31.9000106.9T53 H57T53-D55 VanDerWaalsContact C-N 3.35Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 VanDerWaalsContact O-N 3.1Å; D55-H57 VanDerWaalsContact C-N 3.28Å; D55-H57 PolarHBondContact O-N 3.04Å
56I28.9Very low32.8Very low128 Ų128136.9 Ų136.966%0.65673%0.732SS**  trans-74.997.8166.4-55.2179.2000103.5V54 Q58V54-I56 HydrophobicContact CB-CD1 4.43Å; V54-I56 HydrophobicContact CB-CG1 3.93Å; V54-I56 HydrophobicContact CG1-CD1 4.13Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 2.88Å; I56-Q58 PolarHBondContact O-N 2.91Å
57H30.3Very low32.7Very low157 Ų157138 Ų13873%0.72773%0.731SS**  trans-43.6114160.8-82.6-77000106.9D55 D59D55-H57 VanDerWaalsContact C-N 3.28Å; D55-H57 PolarHBondContact O-N 3.04Å; H57-D59 PolarHBondContact O-N 2.82Å
58Q32Very low32.5Very low182 Ų182137.2 Ų137.285%0.8572%0.723SS**  trans-70.163-179-164.791.920.300108.3I56 N60I56-Q58 PolarHBondContact O-N 2.91Å; Q58-N60 PolarHBondContact O-N 3Å
59D34.6Very low32.2Very low126 Ų126137.2 Ų137.267%0.67472%0.723SS**  trans-72.186.6165.7-73.1-17.9000105.6H57 I61H57-D59 PolarHBondContact O-N 2.82Å; D59-I61 WeakPolarHBondContact O-CG1 3.46Å; D59-I61 PolarHBondContact O-N 3.46Å
60N34.3Very low32.1Very low152 Ų152136.7 Ų136.781%0.81373%0.727SS**  trans10.738.6146-133.13.1000119.5Q58 N62Q58-N60 PolarHBondContact O-N 3Å; N60-N62 PolarHBondContact O-N 3.43Å
61I34.7Very low32.2Very low152 Ų152138.8 Ų138.878%0.77973%0.728SS**  trans-92.5106.9175-64.1169.5000106.4D59 N63D59-I61 WeakPolarHBondContact O-CG1 3.46Å; D59-I61 PolarHBondContact O-N 3.46Å; I61-N63 PolarHBondContact O-N 3.06Å
62N35.1Very low32Very low130 Ų130138.6 Ų138.670%0.69573%0.727SS**  trans-42.7131.5179.8-69-48.5000112.5N60 S64N60-N62 PolarHBondContact O-N 3.43Å; N62-S64 PolarHBondContact O-N 3.05Å
63N31.1Very low32.2Very low153 Ų153140.1 Ų140.182%0.81873%0.732SS**THydrogen-bonded Turntrans-76.139.2-167.7-141.93.6000113.7I61I61-N63 PolarHBondContact O-N 3.06Å
64S34.9Very low32.1Very low66 Ų66145.6 Ų145.646%0.46274%0.741SS.*THydrogen-bonded Turntrans-101.3-15.6-175.856.40000115.5N62N62-S64 PolarHBondContact O-N 3.05Å
65D38.1Very low31.9Very low129 Ų129150 Ų15069%0.6975%0.753SS**SBendtrans-95.5-14.8-168.1-70.42.5000114.4
66F33.8Very low32Very low199 Ų199148.5 Ų148.587%0.87375%0.751SS**SBendtrans-84.8-13.1178.9-101.8-84.8000115.1
67I32.5Very low31.9Very low124 Ų124150 Ų15064%0.63676%0.759SS**SBendtrans-91.4-12.6-178.8-61.9-178.4000112.5
68H32.1Very low31.7Very low133 Ų133151.2 Ų151.262%0.61676%0.762SS**SBendtrans-97.6-3-174.2-71.9-53.7000117
69L33.2Very low31.5Very low162 Ų162150.2 Ų150.285%0.84876%0.763SS**SBendtrans-86.7-21.8179-150.767.5000114
70A29.6Very low31.1Very low96 Ų96148 Ų14879%0.79376%0.757SS**SBendtrans-85.2-10.2-177.100000115
71Q30.7Very low30.6Very low166 Ų166148.6 Ų148.678%0.77676%0.76SS**SBendtrans-111.84.9-172.3-80.1-173.1-7.700116.3
72K29.7Very low30.3Very low180 Ų180144.7 Ų144.778%0.78376%0.758SS**SBendtrans-109.5-1.6-172.8-95.6-176178.3176.70118.9
73N32.8Very low29.9Very low155 Ų155144.8 Ų144.883%0.82976%0.762SS**  trans-119.653.9177.6-68.2-23.9000113.3
74Y25.6Very low29.8Very low223 Ų223147.3 Ų147.388%0.87577%0.766SS**  trans-120.886.8153-90.1-87.4000108
75K27.2Very low29.4Very low194 Ų194150 Ų15084%0.84378%0.78SS**  trans-121.5105.4154.9-95.4-173.9177.2179.40107.4L77K75-L77 PolarHBondContact O-N 2.93Å; K75-L77 VanDerWaalsContact O-N 3.17Å
76P31Very low28.8Very low112 Ų112153.7 Ų153.773%0.72779%0.79SS**  trans-55.4119.9166.3-18.730.1000107.8K78P76-K78 PolarHBondContact O-N 2.81Å
77L27.4Very low28.6Very low158 Ų158149.2 Ų149.283%0.82778%0.783SS**  trans-64.6106.6172.2-129.683.2000106.7K75 N79K75-L77 PolarHBondContact O-N 2.93Å; K75-L77 VanDerWaalsContact O-N 3.17Å; L77-N79 PolarHBondContact O-N 2.94Å
78K25.8Very low28.4Very low183 Ų183149 Ų14980%0.79679%0.787SS**  trans-65.1112.1167.5-73.1-176.1172.9-173.20107.3P76 S80P76-K78 PolarHBondContact O-N 2.81Å; K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 PolarHBondContact O-N 3.26Å
79N28.3Very low28Very low161 Ų161148.8 Ų148.886%0.86179%0.791SS**  trans-71.790.4159.9-68.1-18.7000106.7L77L77-N79 PolarHBondContact O-N 2.94Å
80S24.5Very low27.6Very low79 Ų79147.6 Ų147.655%0.55279%0.785SS**  trans-127.6119.5169.959.90000109.4K78K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 PolarHBondContact O-N 3.26Å
81D25.6Very low27.7Very low166 Ų166149.8 Ų149.889%0.88878%0.784SS**  trans72.7112.9144.6-55-32.3000119
82G26.4Very low27.3Very low70 Ų70147.9 Ų147.972%0.72279%0.788SS**  142.773.4123.600000116.2
83V28.7Very low27.3Very low131 Ų131142.4 Ų142.479%0.79478%0.784SS**  trans-12797.4144.6-174.90000109T85V83-T85 HydrophobicContact CG1-CG2 4.34Å; V83-T85 PolarHBondContact O-N 2.8Å
84K27.1Very low27.2Very low206 Ų206140.4 Ų140.490%0.89678%0.781SS**  trans-64.8100.6164.3-69.5171.5176.9172.20108.5
85T27.8Very low27.5Very low123 Ų123137.4 Ų137.476%0.75578%0.781SS**  trans-10892.8154.239.30000108V83 S87V83-T85 HydrophobicContact CG1-CG2 4.34Å; V83-T85 PolarHBondContact O-N 2.8Å; T85-S87 PolarHBondContact O-N 3.26Å; T85-S87 VanDerWaalsContact O-N 3.1Å
86K24.2Very low28.1Very low207 Ų207135.8 Ų135.890%0.978%0.781SS**  trans-64103.2159.8-83-178.4172.9-1780107.3
87S31.4Very low28.3Very low105 Ų105142.1 Ų142.173%0.73479%0.79SS**  trans-124.295.2155.1178.60000106.3T85 N89T85-S87 PolarHBondContact O-N 3.26Å; T85-S87 VanDerWaalsContact O-N 3.1Å; S87-N89 PolarHBondContact O-N 3.34Å
88V26.3Very low28.9Very low118 Ų118138.6 Ų138.672%0.71578%0.779SS**  trans-74.3100.9168.4175.90000105.3
89N25Very low29.5Very low130 Ų130137.6 Ų137.670%0.69578%0.783SS**  trans-118.8107.7158.9-162.29.4000108.1S87 N91S87-N89 PolarHBondContact O-N 3.34Å; N89-N91 PolarHBondContact O-N 2.88Å
90N25.4Very low30.2Very low137 Ų137135 Ų13573%0.73377%0.768SS**  trans-72.7103.4173.6-64.2-34.2000107.4
91N29.9Very low31Very low142 Ų142138.3 Ų138.376%0.75978%0.78SS**  trans-138111.6154.1-91.1-23.2000108.2N89N89-N91 PolarHBondContact O-N 2.88Å
92S23.7Very low31.9Very low125 Ų125139.9 Ų139.987%0.87478%0.775SS**  trans-52.8129.1165.351.20000110.8
93G29.4Very low32.7Very low66 Ų66143.1 Ų143.168%0.6878%0.776SS**  trans-175.397.4170.900000112
94S30.9Very low33.7Very low112 Ų112144.6 Ų144.678%0.78378%0.779SS**  trans46.4113.6155.455.70000119.8D96S94-D96 PolarHBondContact O-N 2.92Å
95D32Very low34.8Very low160 Ų160141 Ų14186%0.85677%0.77SS**  trans-45.8119.5144.9-61.6-61.4000110.5
96D39Very low36.3Very low160 Ų160139.9 Ų139.986%0.85676%0.756SS**  trans-145.2117.3145.7-108.2-26.3000109.6S94 S98S94-D96 PolarHBondContact O-N 2.92Å; D96-S98 PolarHBondContact O-N 3.5Å
97R36Very low38.3Very low245 Ų245134.9 Ų134.993%0.92574%0.739SS**  trans-79.2112179-67.6169.9171.1173.7-3.7108
98S39.2Very low39.9Very low85 Ų85135.7 Ų135.759%0.59474%0.735SS**  trans-143.272.8152.960.20000106.9D96 D100D96-S98 PolarHBondContact O-N 3.5Å; S98-D100 PolarHBondContact O-N 3.39Å
99D39.7Very low41.9Very low162 Ų162135.4 Ų135.487%0.86673%0.727SS**  trans-68.977.3151.2-80.6-29.8000105D101D99-D101 PolarHBondContact O-N 3.09Å
100D41Very low44.1Very low105 Ų105133.6 Ų133.656%0.56172%0.717SS**  trans-64.994165.5-66.9-40.4000104.7S98 Y102S98-D100 PolarHBondContact O-N 3.39Å; D100-Y102 HydrophobicContact CB-CE2 4.31Å; D100-Y102 WeakPolarHBondContact O-CD2 2.88Å; D100-Y102 PolarHBondContact O-N 3.41Å
101D42.7Very low46.8Very low150 Ų150132.7 Ų132.780%0.80270%0.704SS**  trans-52.991.2158-81.4-37.5000105.6D99 D103D99-D101 PolarHBondContact O-N 3.09Å; D101-D103 PolarHBondContact O-N 3.4Å
102Y43.3Very low48.6Very low199 Ų199128.8 Ų128.878%0.7868%0.683SS**  trans-57.6109170.4-79.5-91000105.9D100 D104D100-Y102 HydrophobicContact CB-CE2 4.31Å; D100-Y102 WeakPolarHBondContact O-CD2 2.88Å; D100-Y102 PolarHBondContact O-N 3.41Å; Y102-D104 VanDerWaalsContact C-N 3.33Å; Y102-D104 PolarHBondContact O-N 3.08Å
103D44.2Very low50.8Low138 Ų138126.6 Ų126.674%0.73866%0.661SS**  trans-49.9103164.6-83.9-40.1000107.3D101 D105D101-D103 PolarHBondContact O-N 3.4Å; D103-D105 HydrophobicContact CB-CB 4.35Å; D103-D105 PolarHBondContact O-N 3.39Å
104D49.3Very low53.1Low162 Ų162127.5 Ų127.587%0.86665%0.646SS**  trans-63.520.5164.7-93.9-26.2000111.7Y102 E106Y102-D104 VanDerWaalsContact C-N 3.33Å; Y102-D104 PolarHBondContact O-N 3.08Å; D104-E106 PolarHBondContact O-N 2.97Å
105D51Low54.8Low129 Ų129124.9 Ų124.969%0.6962%0.621SS**  trans-67.289.2163.5-76.7-13.3000106.3D103 N107D103-D105 HydrophobicContact CB-CB 4.35Å; D103-D105 PolarHBondContact O-N 3.39Å; D105-N107 PolarHBondContact O-N 3.46Å
106E58.4Low56.6Low101 Ų101122.4 Ų122.447%0.47260%0.603SS.*  trans-49.790.4161.6-142.3-166.6-159.200105.7D104 L108 W111 K114D104-E106 PolarHBondContact O-N 2.97Å; E106-L108 PolarHBondContact O-N 2.95Å; E106-L108 VanDerWaalsContact O-N 3.14Å; E106-W111 VanDerWaalsContact OE2-CD1 3.26Å; E106-K114 IonicContact OE1-NZ 3.42Å; E106-K114 PolarHBondContact OE1-NZ 3.25Å
107N66.6Low57.9Low102 Ų102121.9 Ų121.955%0.54559%0.589SS.*  trans-48.6128.7-173.3-178.4-14.2000106.1D105 M109 N110 W111D105-N107 PolarHBondContact O-N 3.46Å; N107-M109 CarbonylContact O-C 3.58Å; N107-M109 PolarHBondContact O-N 3.21Å; N107-N110 WeakPolarHBondContact O-CA 3.44Å; N107-N110 WeakPolarHBondContact O-CB 3.5Å; N107-N110 PolarHBondContact O-N 2.96Å; N107-W111 PolarHBondContact O-N 2.8Å
108L64.8Low59.5Low122 Ų122116 Ų11664%0.63957%0.572SS**Hα-helixtrans-44.6-34.1-172.3178.565.8000112.4E106 W111 L112E106-L108 PolarHBondContact O-N 2.95Å; E106-L108 VanDerWaalsContact O-N 3.14Å; L108-W111 PolarHBondContact O-N 3.01Å; L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CB 3.03Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.33Å
109M67.6Low60.6Low111 Ų111117.3 Ų117.355%0.54757%0.572SS.*Hα-helixtrans-62.2-41.4173-75.3-58.4-61.400114.9N107 L113N107-M109 CarbonylContact O-C 3.58Å; N107-M109 PolarHBondContact O-N 3.21Å; M109-L113 VanDerWaalsContact O-CB 3.31Å; M109-L113 WeakPolarHBondContact O-CB 3.24Å; M109-L113 WeakPolarHBondContact O-CD1 3.44Å; M109-L113 VanDerWaalsContact O-CG 3.25Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.28Å
110N72.7Confident61.3Low92 Ų92112.7 Ų112.749%0.49256%0.563SS.*Hα-helixtrans-66.5-42.5174.6-83.3-6.1000111.9N107 L113 K114N107-N110 WeakPolarHBondContact O-CA 3.44Å; N107-N110 WeakPolarHBondContact O-CB 3.5Å; N107-N110 PolarHBondContact O-N 2.96Å; N110-L113 PolarHBondContact O-N 3.35Å; N110-K114 VanDerWaalsContact O-CB 3.29Å; N110-K114 WeakPolarHBondContact O-CB 3.3Å; N110-K114 PolarHBondContact O-N 2.9Å
111W81.5Confident61.7Low118 Ų118111.7 Ų111.745%0.44756%0.557SS.*Hα-helixtrans-61.8-45.7174.8-177.883.9000110.9E106 N107 L108 K114 Q115E106-W111 VanDerWaalsContact OE2-CD1 3.26Å; N107-W111 PolarHBondContact O-N 2.8Å; L108-W111 PolarHBondContact O-N 3.01Å; W111-K114 WeakPolarHBondContact O-CB 3.41Å; W111-K114 PolarHBondContact O-N 3.1Å; W111-Q115 HydrophobicContact CD2-CG 4.07Å; W111-Q115 HydrophobicContact CE3-CG 4.19Å; W111-Q115 HydrophobicContact CH2-CG 4Å; W111-Q115 HydrophobicContact CZ2-CG 3.87Å; W111-Q115 HydrophobicContact CZ3-CG 4.16Å; W111-Q115 WeakPolarHBondContact O-CG 3.28Å; W111-Q115 PolarHBondContact O-N 3.01Å
112L67.4Low61.9Low61 Ų61108.7 Ų108.732%0.31954%0.541SS..Hα-helixtrans-61.1-47.3175.3-75.1169.4000112.3L108 K114 Q115 F116L108-L112 HydrophobicContact CG-CD1 4.15Å; L108-L112 WeakPolarHBondContact O-CB 3.03Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.33Å; L112-K114 PolarHBondContact O-N 2.99Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.24Å; L112-Q115 VanDerWaalsContact O-N 3.11Å; L112-F116 HydrophobicContact CB-CE2 4.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.23Å; L112-F116 PolarHBondContact O-N 2.91Å
113L71Confident62Low79 Ų79108.9 Ų108.941%0.41454%0.542SS..Hα-helixtrans-61.4-33.9177.1-79.1164.6000112.4M109 N110 F116 R117M109-L113 VanDerWaalsContact O-CB 3.31Å; M109-L113 WeakPolarHBondContact O-CB 3.24Å; M109-L113 WeakPolarHBondContact O-CD1 3.44Å; M109-L113 VanDerWaalsContact O-CG 3.25Å; M109-L113 WeakPolarHBondContact O-CG 3.37Å; M109-L113 PolarHBondContact O-N 3.28Å; N110-L113 PolarHBondContact O-N 3.35Å; L113-F116 PolarHBondContact O-N 3.49Å; L113-R117 PolarHBondContact O-N 3.46Å
114K77.8Confident61.8Low85 Ų85108.2 Ų108.237%0.3754%0.538SS..Hα-helixtrans-67.2-45.2172.7-174.9-179.3-179.2-177.30111.1E106 N110 W111 L112 F116 R117 E118E106-K114 IonicContact OE1-NZ 3.42Å; E106-K114 PolarHBondContact OE1-NZ 3.25Å; N110-K114 VanDerWaalsContact O-CB 3.29Å; N110-K114 WeakPolarHBondContact O-CB 3.3Å; N110-K114 PolarHBondContact O-N 2.9Å; W111-K114 WeakPolarHBondContact O-CB 3.41Å; W111-K114 PolarHBondContact O-N 3.1Å; L112-K114 PolarHBondContact O-N 2.99Å; K114-F116 VanDerWaalsContact C-N 3.29Å; K114-F116 PolarHBondContact O-N 2.91Å; K114-R117 PolarHBondContact O-N 2.92Å; K114-E118 WeakPolarHBondContact CE-OE1 3.34Å; K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 3.48Å
115Q65.5Low61.6Low57 Ų57106.3 Ų106.327%0.26653%0.528SS..Hα-helixtrans-60.5-36.9173.3-65.4-50.8-69.100112.1W111 L112 E118 N119W111-Q115 HydrophobicContact CD2-CG 4.07Å; W111-Q115 HydrophobicContact CE3-CG 4.19Å; W111-Q115 HydrophobicContact CH2-CG 4Å; W111-Q115 HydrophobicContact CZ2-CG 3.87Å; W111-Q115 HydrophobicContact CZ3-CG 4.16Å; W111-Q115 WeakPolarHBondContact O-CG 3.28Å; W111-Q115 PolarHBondContact O-N 3.01Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 WeakPolarHBondContact O-CB 3.38Å; L112-Q115 PolarHBondContact O-N 3.24Å; L112-Q115 VanDerWaalsContact O-N 3.11Å; Q115-E118 PolarHBondContact NE2-OE2 3.05Å; Q115-N119 WeakPolarHBondContact O-CB 3.41Å; Q115-N119 VanDerWaalsContact O-CG 3.22Å; Q115-N119 PolarHBondContact O-N 2.77Å; Q115-N119 PolarHBondContact O-ND2 2.98Å
116F69.6Low60.9Low107 Ų107107.3 Ų107.347%0.46953%0.533SS..Hα-helixtrans-69-40.4175.4-72.8-63.6000112.9L112 L113 K114 G120 L121L112-F116 HydrophobicContact CB-CE2 4.28Å; L112-F116 WeakPolarHBondContact O-CD2 3.23Å; L112-F116 PolarHBondContact O-N 2.91Å; L113-F116 PolarHBondContact O-N 3.49Å; K114-F116 VanDerWaalsContact C-N 3.29Å; K114-F116 PolarHBondContact O-N 2.91Å; F116-G120 PolarHBondContact O-N 2.86Å; F116-L121 HydrophobicContact CB-CB 4.44Å; F116-L121 HydrophobicContact CD1-CB 4.07Å; F116-L121 HydrophobicContact CD1-CD1 3.81Å; F116-L121 HydrophobicContact CE1-CD1 4.2Å; F116-L121 PolarHBondContact O-N 2.98Å
117R67.2Low59.8Low150 Ų150108.1 Ų108.157%0.56654%0.541SS*.Hα-helixtrans-66.8-46.1175.7-84.7-176.1-77.2-140.8-0112.6L113 K114 N119 G120 D122L113-R117 PolarHBondContact O-N 3.46Å; K114-R117 PolarHBondContact O-N 2.92Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.96Å; R117-G120 PolarHBondContact O-N 3.03Å; R117-G120 VanDerWaalsContact O-N 3.13Å; R117-D122 HydrophobicContact CG-CB 4.31Å
118E69Low58.2Low121 Ų121109.6 Ų109.657%0.56555%0.548SS*.Hα-helixtrans-64.5-34178.3-73.2174.5178.400111.9K114 Q115 G120K114-E118 WeakPolarHBondContact CE-OE1 3.34Å; K114-E118 HydrophobicContact CG-CG 4.44Å; K114-E118 WeakPolarHBondContact CG-OE1 3.33Å; K114-E118 WeakPolarHBondContact O-CB 3.48Å; K114-E118 WeakPolarHBondContact O-CG 3.34Å; K114-E118 PolarHBondContact O-N 3.48Å; Q115-E118 PolarHBondContact NE2-OE2 3.05Å; E118-G120 VanDerWaalsContact C-N 3.29Å; E118-G120 PolarHBondContact O-N 3.2Å
119N63Low56.8Low113 Ų113112.1 Ų112.160%0.60455%0.554SS**THydrogen-bonded Turntrans-85.96.7176.1-67-48.4000114Q115 R117 L121Q115-N119 WeakPolarHBondContact O-CB 3.41Å; Q115-N119 VanDerWaalsContact O-CG 3.22Å; Q115-N119 PolarHBondContact O-N 2.77Å; Q115-N119 PolarHBondContact O-ND2 2.98Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.96Å; N119-L121 PolarHBondContact O-N 3.38Å
120G53.5Low55.1Low65 Ų65113 Ų11367%0.6756%0.561SS**THydrogen-bonded Turntrans69.627.5174.100000115F116 R117 E118F116-G120 PolarHBondContact O-N 2.86Å; R117-G120 PolarHBondContact O-N 3.03Å; R117-G120 VanDerWaalsContact O-N 3.13Å; E118-G120 VanDerWaalsContact C-N 3.29Å; E118-G120 PolarHBondContact O-N 3.2Å
121L50.3Low53.3Low84 Ų84115.2 Ų115.244%0.4457%0.573SS.*  trans-97.913.5178.3-76168.3000113.4F116 N119 Y123F116-L121 HydrophobicContact CB-CB 4.44Å; F116-L121 HydrophobicContact CD1-CB 4.07Å; F116-L121 HydrophobicContact CD1-CD1 3.81Å; F116-L121 HydrophobicContact CE1-CD1 4.2Å; F116-L121 PolarHBondContact O-N 2.98Å; N119-L121 PolarHBondContact O-N 3.38Å; L121-Y123 HydrophobicContact CD2-CE2 4.03Å; L121-Y123 WeakPolarHBondContact O-CD2 3.42Å; L121-Y123 PolarHBondContact O-N 2.89Å
122D47.3Very low51.1Low86 Ų86117.2 Ų117.246%0.4659%0.592SS.*  trans-75.690.9171.4-162-7.8000109.3R117 N124R117-D122 HydrophobicContact CG-CB 4.31Å; D122-N124 PolarHBondContact O-N 3.25Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.49Å; D122-N124 PolarHBondContact OD1-ND2 2.92Å
123Y43.7Very low49.5Very low204 Ų204123.4 Ų123.480%0.863%0.625SS**  trans-70.322.7176.9-86.7-86000113.6L121 D125L121-Y123 HydrophobicContact CD2-CE2 4.03Å; L121-Y123 WeakPolarHBondContact O-CD2 3.42Å; L121-Y123 PolarHBondContact O-N 2.89Å; Y123-D125 VanDerWaalsContact C-N 3.33Å
124N41.2Very low47.5Very low123 Ų123122.2 Ų122.266%0.65863%0.631SS**  trans-95.625.6173.5-77-36.5000113.7D122 N126D122-N124 PolarHBondContact O-N 3.25Å; D122-N124 WeakPolarHBondContact OD1-CB 3.39Å; D122-N124 PolarHBondContact OD1-N 3.49Å; D122-N124 PolarHBondContact OD1-ND2 2.92Å; N124-N126 PolarHBondContact O-N 2.94Å
125D44.5Very low45.5Very low122 Ų122127.4 Ų127.465%0.65265%0.654SS**  trans-68.574.6158.6-95.9-25.4000109.8Y123 N127Y123-D125 VanDerWaalsContact C-N 3.33Å; D125-N127 PolarHBondContact O-N 3.35Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 PolarHBondContact OD1-ND2 3.03Å
126N36.1Very low43.9Very low150 Ų150132.8 Ų132.880%0.80268%0.682SS**  trans-65.114.3148.6-76.4-35.5000111.7N124 L128N124-N126 PolarHBondContact O-N 2.94Å; N126-L128 PolarHBondContact O-N 3.45Å; N126-L128 VanDerWaalsContact O-N 3.07Å
127N36.1Very low42.3Very low119 Ų119134.2 Ų134.264%0.63670%0.695SS**  trans-81.342.2167.3-79.9-35.8000112.2D125 K129D125-N127 PolarHBondContact O-N 3.35Å; D125-N127 VanDerWaalsContact O-N 3.11Å; D125-N127 PolarHBondContact OD1-ND2 3.03Å; N127-K129 PolarHBondContact O-N 3.23Å
128L33.4Very low40.7Very low132 Ų132131.3 Ų131.369%0.69170%0.703SS**  trans-73.760.5158.9-141.5114.2000108.3N126 N130N126-L128 PolarHBondContact O-N 3.45Å; N126-L128 VanDerWaalsContact O-N 3.07Å; L128-N130 VanDerWaalsContact C-N 3.28Å; L128-N130 WeakPolarHBondContact CD2-ND2 3.49Å; L128-N130 PolarHBondContact O-N 3.48Å
129K33.9Very low39Very low175 Ų175132.4 Ų132.476%0.76171%0.712SS**  trans-75.492.8164-78-164.7177.5-175.10106.9N127 D131N127-K129 PolarHBondContact O-N 3.23Å; K129-D131 PolarHBondContact O-N 2.93Å
130N31.8Very low37.7Very low130 Ų130132.9 Ų132.970%0.69572%0.715SS**  trans-6954.9169.8-76.4-28.6000111.1L128L128-N130 VanDerWaalsContact C-N 3.28Å; L128-N130 WeakPolarHBondContact CD2-ND2 3.49Å; L128-N130 PolarHBondContact O-N 3.48Å
131D34.9Very low36.6Very low139 Ų139140.1 Ų140.174%0.74372%0.723SS**  trans-152.386.6177.5-73.9-51.1000109.3K129K129-D131 PolarHBondContact O-N 2.93Å
132D35.9Very low36Very low160 Ų160141.4 Ų141.486%0.85673%0.734SS**  trans18031.6147.7-90.8-16.5000112.4G134D132-G134 PolarHBondContact O-N 3.3Å
133L34Very low35.4Very low191 Ų191145.1 Ų145.1100%175%0.746SS**  trans-7115.1166-98.1150.7000112.9
134G30Very low34.9Very low53 Ų53146.4 Ų146.455%0.54675%0.75SS.*SBendtrans-105.1108.7178.600000112.1D132D132-G134 PolarHBondContact O-N 3.3Å
135K35.1Very low34.4Very low195 Ų195147.9 Ų147.985%0.84876%0.757SS**  trans7377.9155.4-51.8174.1-178.31780116.5
136I31.6Very low33.7Very low169 Ų169148.5 Ų148.587%0.86776%0.76SS**  trans-114.595.5146.4-58.9-179.6000107.2A138I136-A138 PolarHBondContact O-N 3.46Å
137D35Very low33.3Very low137 Ų137149.2 Ų149.273%0.73376%0.759SS**  trans-53.4107169.3-76.9-43.2000109.6L139D137-L139 PolarHBondContact O-N 3.14Å
138A33.6Very low32.9Very low89 Ų89153.2 Ų153.274%0.73677%0.77SS**G310 helixtrans-61.25.3173.500000113.7I136 N140I136-A138 PolarHBondContact O-N 3.46Å; A138-N140 PolarHBondContact O-N 2.99Å
139L35.2Very low32.7Very low145 Ų145153.6 Ų153.676%0.75978%0.778SS**G310 helixtrans-79-14.7-174.3-136.186.5000114.5D137D137-L139 PolarHBondContact O-N 3.14Å
140N35.6Very low32.4Very low122 Ų122150.9 Ų150.965%0.65278%0.778SS**G310 helixtrans-93.1-9.4-176.5-93.5-23.6000115.4A138 V142A138-N140 PolarHBondContact O-N 2.99Å; N140-V142 VanDerWaalsContact C-N 3.34Å
141Y30.6Very low32.1Very low218 Ų218150.8 Ų150.886%0.85578%0.782SS**SBendtrans-78.5-19.5177.6-131.5-96.1000113.3
142V36.5Very low31.8Very low111 Ų111152.1 Ų152.167%0.67379%0.788SS**G310 helixtrans-81.2-17.1178.6-177.80000112.5N140N140-V142 VanDerWaalsContact C-N 3.34Å
143K35.7Very low31.3Very low163 Ų163148.5 Ų148.571%0.70977%0.773SS**G310 helixtrans-82.9-10.1-173.7-92-175.3177178.30116.3
144R31.9Very low30.9Very low231 Ų231147.8 Ų147.887%0.87276%0.764SS**G310 helixtrans-96.2-2.5-176.7-76.7-169.2-168.4-174.44.8116.4
145L30.7Very low30.9Very low154 Ų154151.1 Ų151.181%0.80678%0.779SS**SBendtrans-990.2-178.4-100.7140.2000115.1H147L145-H147 PolarHBondContact O-N 2.83Å
146N29.4Very low30.5Very low136 Ų136149.2 Ų149.273%0.72778%0.778SS**  trans-99.869178.5-72.1-24.6000112.1
147H28.9Very low30.4Very low165 Ų165150.4 Ų150.476%0.76478%0.779SS**  trans-134.3116.9161.5-73.5-56.2000111.2L145L145-H147 PolarHBondContact O-N 2.83Å
148K28Very low30.1Very low203 Ų203151.1 Ų151.188%0.88378%0.782SS**  trans83.280.5162.8-56.9178.9178-179.20116.8
149T28.5Very low30Very low140 Ų140153.7 Ų153.786%0.85978%0.783SS**  trans-121.9129.7138.3-38.50000108.4
150P28.1Very low29.6Very low117 Ų117149.5 Ų149.576%0.7678%0.775SS**  trans-69.9141.6-176.7-13.228000112.7
151T24.5Very low29.5Very low128 Ų128148.2 Ų148.279%0.78578%0.776SS**  trans-41.9121.1172.4-47.80000115
152I28.4Very low29.6Very low167 Ų167144.8 Ų144.886%0.85677%0.772SS**  trans-119.3121.3147.6-62.7176.9000106.4
153P26.4Very low29.2Very low84 Ų84145.4 Ų145.455%0.54578%0.781SS.*  trans-97.2155.8-175.839.1-33.6000112.4
154H26Very low29.1Very low176 Ų176142.7 Ų142.782%0.81578%0.783SS**  trans7895.2162-55.1-65.9000119.1
155S29.9Very low28.9Very low123 Ų123139.4 Ų139.486%0.8678%0.781SS**  -176.3103.1103.238.90000109.5
156L26.1Very low28.8Very low156 Ų156137.9 Ų137.982%0.81778%0.783SS**  trans-67.5124.1165.8-88.9104.5000109.2
157Q29.6Very low28.8Very low193 Ų193135.3 Ų135.390%0.90278%0.776SS**  trans-14492.8135.6-75-166.2-11.300107.4
158I29.5Very low28.6Very low152 Ų152137.7 Ų137.778%0.77978%0.78SS**  trans-91.998.9166.7-61.2171.9000104.7G160I158-G160 PolarHBondContact O-N 3.48Å
159D29.6Very low28.6Very low143 Ų143137.2 Ų137.277%0.76578%0.781SS**  trans-78.2106.2170-163.6-4.3000108.1S161D159-S161 PolarHBondContact O-N 3.22Å
160G28.6Very low28.6Very low58 Ų58134.9 Ų134.960%0.59878%0.776SS**  trans-76.551.1-172.300000113.6I158 N162I158-G160 PolarHBondContact O-N 3.48Å; G160-N162 VanDerWaalsContact C-N 3.3Å; G160-N162 PolarHBondContact O-N 3.34Å; G160-N162 PolarHBondContact O-OD1 3.12Å
161S33.8Very low28.6Very low95 Ų95135.1 Ų135.166%0.66478%0.775SS**  trans-77.781.1176.7-700000111.2D159 S163D159-S161 PolarHBondContact O-N 3.22Å; S161-S163 PolarHBondContact O-N 2.88Å
162N30.6Very low29Very low146 Ų146136.3 Ų136.378%0.78178%0.775SS**  trans25.979144.8-61.4-21.2000116.9G160 S164G160-N162 VanDerWaalsContact C-N 3.3Å; G160-N162 PolarHBondContact O-N 3.34Å; G160-N162 PolarHBondContact O-OD1 3.12Å; N162-S164 VanDerWaalsContact C-N 3.34Å; N162-S164 PolarHBondContact O-N 3.09Å
163S30.1Very low29.2Very low123 Ų123135 Ų13586%0.8677%0.77SS**  trans-7091.8159.420.30000109.5S161 I165S161-S163 PolarHBondContact O-N 2.88Å; S163-I165 PolarHBondContact O-N 2.86Å
164S32.8Very low29.3Very low107 Ų107135.5 Ų135.575%0.74878%0.775SS**  trans-76.7110.9168.2-55.70000108.6N162 S166N162-S164 VanDerWaalsContact C-N 3.34Å; N162-S164 PolarHBondContact O-N 3.09Å; S164-S166 PolarHBondContact O-N 3.04Å; S164-S166 VanDerWaalsContact O-N 3.1Å
165I26.5Very low29.7Very low162 Ų162136.1 Ų136.183%0.83178%0.776SS**  trans-57.3109165.9-87.5165.7000107.9S163S163-I165 PolarHBondContact O-N 2.86Å
166S30.3Very low29.7Very low122 Ų122139.3 Ų139.385%0.85377%0.774SS**  trans-9994.8169.3174.30000108.3S164S164-S166 PolarHBondContact O-N 3.04Å; S164-S166 VanDerWaalsContact O-N 3.1Å
167S28.8Very low29.9Very low82 Ų82137.2 Ų137.257%0.57377%0.773SS**  trans-90.2136.3172.562.40000110.8
168Y24.5Very low29.7Very low215 Ų215137.6 Ų137.684%0.84377%0.771SS**  trans73.4111.7163.9-72.5-88.6000119.7
169Q28.2Very low29.7Very low193 Ų193136.2 Ų136.290%0.90277%0.77SS**  trans-157.3103.9130.2-107.7161.5000109.2
170A28.2Very low29.5Very low91 Ų91137 Ų13775%0.75277%0.769SS**  trans-88.4103.1165.600000107.4I172A170-I172 PolarHBondContact O-N 3.31Å
171T29.2Very low29.5Very low122 Ų122141.7 Ų141.775%0.74878%0.78SS**  trans-86.2108.4174.9-180000108.6D173T171-D173 PolarHBondContact O-N 3.05Å
172I31.5Very low29.2Very low153 Ų153145.3 Ų145.379%0.78579%0.787SS**  trans-81.797.7171.6-59.4172.4000107.3A170 S174A170-I172 PolarHBondContact O-N 3.31Å; I172-S174 VanDerWaalsContact C-N 3.35Å; I172-S174 PolarHBondContact O-N 3.33Å
173D32.3Very low29Very low138 Ų138146.1 Ų146.174%0.73879%0.785SS**  trans-77.286.9171.1-93.1-15000110.4T171 K175T171-D173 PolarHBondContact O-N 3.05Å; D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 VanDerWaalsContact O-N 3.1Å
174S28.4Very low28.9Very low95 Ų95146.5 Ų146.566%0.66478%0.777SS**  trans-74.285.4166.5157.50000109.9I172 K176I172-S174 VanDerWaalsContact C-N 3.35Å; I172-S174 PolarHBondContact O-N 3.33Å; S174-K176 PolarHBondContact O-N 3.21Å
175K34.9Very low28.6Very low189 Ų189149 Ų14982%0.82278%0.781SS**  trans-80.799.4164.8-77-175.1-179.9175.30110.3D173 S177D173-K175 PolarHBondContact O-N 2.9Å; D173-K175 VanDerWaalsContact O-N 3.1Å; K175-S177 PolarHBondContact O-N 3.38Å
176K29.2Very low28.8Very low191 Ų191147.3 Ų147.383%0.8377%0.774SS**  trans-52.7119.4162.4-74.1170.4174.1169.50110.2S174S174-K176 PolarHBondContact O-N 3.21Å
177S30.4Very low28.6Very low112 Ų112148.1 Ų148.178%0.78377%0.769SS**  trans-114.698.615347.40000108.5K175K175-S177 PolarHBondContact O-N 3.38Å
178K27Very low28.8Very low200 Ų200149.8 Ų149.887%0.8777%0.771SS**  trans-75.5116.1161.1-85.7179.2171.2-177.70106.8
179T28.3Very low28.9Very low123 Ų123147.5 Ų147.576%0.75577%0.774SS**  trans-131104.7156.1-35.30000107.5
180Q27Very low29Very low161 Ų161147.3 Ų147.375%0.75277%0.77SS**  trans-59.2129.6167.5-69166.2-63.900108.4
181N27.4Very low28.9Very low155 Ų155147.8 Ų147.883%0.82977%0.768SS**  trans-131.989.8149.1-89.9-28.5000105.9H183N181-H183 PolarHBondContact O-N 3Å
182E26.7Very low28.8Very low171 Ų171151.5 Ų151.580%0.79977%0.774SS**  trans-64.8115.6156.7-71.5178.6161.200107
183H28.4Very low28.5Very low163 Ų163153.4 Ų153.476%0.75578%0.779SS**  trans-141.2100.8159.3-117-80.2000109.6N181N181-H183 PolarHBondContact O-N 3Å
184L27.7Very low28.4Very low131 Ų131156 Ų15669%0.68679%0.787SS**  trans44103.8150.8-77.8107.3000118.7N186L184-N186 PolarHBondContact O-N 3.39Å
185L26.8Very low28.2Very low160 Ų160158.3 Ų158.384%0.83880%0.802SS**  trans-57118.3140-84.790.1000108.4
186N28.9Very low27.9Very low126 Ų126151.9 Ų151.967%0.67479%0.789SS**  trans-123.898.5162.5-144.36.1000108.3L184 N188L184-N186 PolarHBondContact O-N 3.39Å; N186-N188 PolarHBondContact O-N 2.9Å
187N27.7Very low28.1Very low140 Ų140153.4 Ų153.475%0.74979%0.791SS**  trans-71.998.3172.1-78.2-21.3000108.6
188N31.3Very low28.4Very low117 Ų117156.4 Ų156.463%0.62679%0.79SS**  trans-118.597.8164.5-83.2-26.6000109.3N186 F190N186-N188 PolarHBondContact O-N 2.9Å; N188-F190 PolarHBondContact O-N 3.21Å
189N27.3Very low28.8Very low167 Ų167154.4 Ų154.489%0.89378%0.784SS**  trans-62.395.9160.9-71.7-33.2000108.5
190F31.3Very low29.2Very low189 Ų189157.8 Ų157.883%0.82978%0.784SS**  trans-112.4101.6162.8-104.1-85.9000109.2N188N188-F190 PolarHBondContact O-N 3.21Å
191S24.6Very low29.7Very low101 Ų101157 Ų15771%0.70678%0.78SS**  trans-60.2123156.752.50000110.1
192K27.8Very low30Very low200 Ų200158.3 Ų158.387%0.8778%0.781SS**  trans172.7132.4132.3-100.7172177.9176.70110.6Q194K192-Q194 PolarHBondContact O-N 2.94Å
193E25.4Very low30.5Very low192 Ų192158.5 Ų158.590%0.89778%0.779SS**  trans-46.2121.6168.3-62.3162.7144.200111.6
194Q30Very low31.2Very low194 Ų194156 Ų15691%0.90778%0.777SS**  trans-130.9100.1150.7-81.5-165.7-11.100108.6K192 G196K192-Q194 PolarHBondContact O-N 2.94Å; Q194-G196 PolarHBondContact O-N 2.95Å
195C24Very low31.7Very low143 Ų143160.1 Ų160.197%0.96678%0.784SS**  trans-63.5118.7159.7-162.40000107.7
196G28.1Very low32.2Very low54 Ų54161.1 Ų161.156%0.55779%0.787SS**  trans172.9104.7177.500000115.2Q194Q194-G196 PolarHBondContact O-N 2.95Å
197Y33.5Very low32.5Very low223 Ų223164.5 Ų164.588%0.87579%0.791SS**  trans72.191.8157.8-55.8-80.2000117.9Q199Y197-Q199 VanDerWaalsContact C-N 3.32Å; Y197-Q199 PolarHBondContact O-N 3.49Å
198K36.9Very low33Very low175 Ų175162.8 Ų162.876%0.76179%0.788SS**  trans-6093.5153.6-68.7-179.8179.6177.20108.6Y200K198-Y200 HydrophobicContact CB-CD2 4.41Å; K198-Y200 HydrophobicContact CB-CE2 3.97Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 2.92Å
199Q36.6Very low33.6Very low158 Ų158163 Ų16374%0.73880%0.796SS**  trans-69.299.4165-82.8-176.3-20.300107.9Y197 H201Y197-Q199 VanDerWaalsContact C-N 3.32Å; Y197-Q199 PolarHBondContact O-N 3.49Å; Q199-H201 PolarHBondContact O-N 2.95Å
200Y35.7Very low34.3Very low193 Ų193161.1 Ų161.176%0.75779%0.79SS**  trans-65.9103.2167.7-69.3-88.5000107.8K198 H202K198-Y200 HydrophobicContact CB-CD2 4.41Å; K198-Y200 HydrophobicContact CB-CE2 3.97Å; K198-Y200 WeakPolarHBondContact O-CD2 3.45Å; K198-Y200 PolarHBondContact O-N 2.92Å; Y200-H202 PolarHBondContact O-N 3.21Å
201H37.5Very low34.7Very low144 Ų144163.3 Ų163.367%0.66779%0.793SS**  trans-60.8105.1169.3-71.7-70.1000108.4Q199 F203Q199-H201 PolarHBondContact O-N 2.95Å; H201-F203 VanDerWaalsContact C-N 3.29Å; H201-F203 HydrophobicContact CB-CE2 4.17Å; H201-F203 WeakPolarHBondContact O-CD2 3.38Å; H201-F203 PolarHBondContact O-N 2.9Å
202H34.9Very low35.4Very low183 Ų183164.6 Ų164.685%0.84779%0.792SS**  trans-69.989.7172-14082.3000106.9Y200 P204Y200-H202 PolarHBondContact O-N 3.21Å; H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.48Å
203F36.9Very low35.8Very low175 Ų175160.5 Ų160.577%0.76879%0.788SS**  trans-64.5118.5171.2-73.6-83000108.1H201 R205H201-F203 VanDerWaalsContact C-N 3.29Å; H201-F203 HydrophobicContact CB-CE2 4.17Å; H201-F203 WeakPolarHBondContact O-CD2 3.38Å; H201-F203 PolarHBondContact O-N 2.9Å; F203-R205 PolarHBondContact O-N 3.3Å
204P42.6Very low36.5Very low110 Ų110155 Ų15571%0.71477%0.771SS**  trans-59.7123.8169.4-16.930.6000107.6H202 M206H202-P204 VanDerWaalsContact O-CD 3.23Å; H202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-M206 PolarHBondContact O-N 3.07Å
205R37.9Very low36.9Very low218 Ų218153 Ų15382%0.82377%0.765SS**  trans-58.7105.1173.2-77.9-179.6179.91750107.8F203 Y207F203-R205 PolarHBondContact O-N 3.3Å; R205-Y207 WeakPolarHBondContact O-CD2 3.41Å; R205-Y207 PolarHBondContact O-N 3.22Å
206M36.8Very low37.5Very low182 Ų182155.1 Ų155.190%0.89776%0.761SS**  trans-60.999.3169.7-72.9-86.5-64.800107.5P204P204-M206 PolarHBondContact O-N 3.07Å
207Y35.7Very low38Very low196 Ų196157.6 Ų157.677%0.76977%0.769SS**PPolyproline II helixtrans-65.4135.8168.5-75.7-87.7000108.3R205R205-Y207 WeakPolarHBondContact O-CD2 3.41Å; R205-Y207 PolarHBondContact O-N 3.22Å
208P39.1Very low37.9Very low104 Ų104157.8 Ų157.868%0.67577%0.768SS**PPolyproline II helixtrans-59.6143.1175.922.7-30.8000110.1V210P208-V210 PolarHBondContact O-N 2.86Å; P208-V210 VanDerWaalsContact O-N 3.15Å
209P42.6Very low37.8Very low123 Ų123159.1 Ų159.180%0.79977%0.774SS**PPolyproline II helixtrans-54.3121.3179.5-23.231.5000110.8R211P209-R211 PolarHBondContact O-N 3.49Å; P209-R211 VanDerWaalsContact O-N 3.09Å
210V43.2Very low37.7Very low127 Ų127160.3 Ų160.377%0.7779%0.785SS**  trans-63.8110.2172.6-179.90000106.7P208 D212P208-V210 PolarHBondContact O-N 2.86Å; P208-V210 VanDerWaalsContact O-N 3.15Å; V210-D212 PolarHBondContact O-N 3.2Å; V210-D212 VanDerWaalsContact O-N 3.11Å
211R39.7Very low37.3Very low234 Ų234154.5 Ų154.588%0.88378%0.783SS**  trans-70.3105.5173-73.7-173.9171.8-175-2.4107.4P209 S213P209-R211 PolarHBondContact O-N 3.49Å; P209-R211 VanDerWaalsContact O-N 3.09Å; R211-S213 PolarHBondContact O-N 3.32Å
212D37.9Very low37.1Very low129 Ų129156.6 Ų156.669%0.6979%0.793SS**  trans-56.9110.5168.8-71.1-31.7000108.6V210 S214V210-D212 PolarHBondContact O-N 3.2Å; V210-D212 VanDerWaalsContact O-N 3.11Å; D212-S214 PolarHBondContact O-N 3.27Å
213S37.2Very low36.8Very low114 Ų114159.3 Ų159.380%0.79780%0.796SS**THydrogen-bonded Turntrans-71.726.8-179.254.80000113.3R211R211-S213 PolarHBondContact O-N 3.32Å
214S40Very low36.6Very low75 Ų75158.4 Ų158.452%0.52480%0.799SS.*THydrogen-bonded Turntrans-99-5.6-170.162.10000114.8D212D212-S214 PolarHBondContact O-N 3.27Å
215I39.1Very low36Very low154 Ų154164 Ų16479%0.7981%0.806SS**SBendtrans-90.3-18.1-175.3-63.3171.5000112.9
216E36.8Very low35.6Very low187 Ų187158.6 Ų158.687%0.87480%0.802SS**G310 helixtrans-93.1-10.2-173.8-142156.1-153.400114.8R218E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.05Å
217S36.9Very low35.4Very low106 Ų106156.8 Ų156.874%0.74180%0.796SS**G310 helixtrans-83.65.4-177.9-50.60000115.5
218R32.2Very low35Very low226 Ų226154.6 Ų154.685%0.85380%0.797SS**G310 helixtrans-11218.1-170.1-111.2-171.9-84.1-171-4117.3E216E216-R218 VanDerWaalsContact C-N 3.33Å; E216-R218 PolarHBondContact O-N 3.05Å
219K35.4Very low34.4Very low204 Ų204155.3 Ų155.389%0.88781%0.805SS**  trans-118.512.9177.2-100.6-177.4178.6-178.90117
220L33.7Very low33.6Very low183 Ų183156.5 Ų156.596%0.95880%0.803SS**SBendtrans-93.2105.4164.8-109.388.3000109.4
221G28.4Very low32.9Very low70 Ų70158.7 Ų158.772%0.72281%0.807SS**  trans13933.7165.800000117.6R223G221-R223 PolarHBondContact O-N 3.05Å
222Q33.3Very low32.2Very low189 Ų189153 Ų15388%0.88380%0.799SS**  trans-92.584.9150.3-82-170.1-400108.2N224Q222-N224 PolarHBondContact O-N 2.94Å; Q222-N224 VanDerWaalsContact O-N 3.12Å
223R28.5Very low31.5Very low239 Ų239153.5 Ų153.590%0.90281%0.806SS**  trans-59.6110.2165-130.5174.6-176.3153.1-0.5106.2G221 R225G221-R223 PolarHBondContact O-N 3.05Å; R223-R225 PolarHBondContact O-N 2.92Å
224N31.5Very low31.1Very low156 Ų156154.3 Ų154.383%0.83481%0.806SS**  trans-54.5100.9169.4-72.8-32.4000108.2Q222 S226Q222-N224 PolarHBondContact O-N 2.94Å; Q222-N224 VanDerWaalsContact O-N 3.12Å; N224-S226 PolarHBondContact O-N 3.34Å; N224-S226 VanDerWaalsContact O-N 3.14Å
225R29.4Very low30.5Very low228 Ų228154.2 Ų154.286%0.8681%0.81SS**  trans-73.5102.2168.3-142.9174.9-169.4173.41.6104.9R223 N227R223-R225 PolarHBondContact O-N 2.92Å; R225-N227 PolarHBondContact O-N 3.3Å
226S30.2Very low29.9Very low104 Ų104153.8 Ų153.873%0.72782%0.815SS**  trans-5999.2172.651.90000108.6N224N224-S226 PolarHBondContact O-N 3.34Å; N224-S226 VanDerWaalsContact O-N 3.14Å
227N31.9Very low29.5Very low144 Ų144150.6 Ų150.677%0.7781%0.808SS**  trans-84.3116.7166.5-73.9-15.1000107.2R225 S229R225-N227 PolarHBondContact O-N 3.3Å; N227-S229 PolarHBondContact O-N 3.08Å
228N27.6Very low29.1Very low150 Ų150152.3 Ų152.380%0.80281%0.814SS**  trans-46121.7173.3-71.7-25.8000110.4I230N228-I230 PolarHBondContact O-N 3.09Å; N228-I230 VanDerWaalsContact O-N 3.1Å
229S26.3Very low28.9Very low120 Ų120147 Ų14784%0.83981%0.807SS**  trans-64.7100.9172.1154.30000109.6N227N227-S229 PolarHBondContact O-N 3.08Å
230I27Very low28.6Very low147 Ų147143.9 Ų143.975%0.75481%0.805SS**  trans-121.9109.2153.8-59.2172.2000104.1N228N228-I230 PolarHBondContact O-N 3.09Å; N228-I230 VanDerWaalsContact O-N 3.1Å
231M27.5Very low28.4Very low174 Ų174141.7 Ų141.786%0.85779%0.794SS**  trans-177.295.5151-89-121.4152.700110.3
232T25.4Very low28.5Very low115 Ų115143.5 Ų143.571%0.70679%0.794SS**  23.1115.1125.2-33.50000118V234T232-V234 PolarHBondContact O-N 3.38Å
233T24.2Very low28.7Very low139 Ų139138.8 Ų138.885%0.85379%0.787SS**  trans-27.7107.4155-39.50000114.7
234V28.1Very low29.1Very low130 Ų130135.1 Ų135.179%0.78878%0.783SS**  trans-144.7115.5156.3-1710000110.4T232T232-V234 PolarHBondContact O-N 3.38Å
235A26.7Very low29.6Very low73 Ų73136.1 Ų136.160%0.60378%0.783SS**  trans24.210615100000119.8T237A235-T237 PolarHBondContact O-N 3.43Å
236T26.6Very low30.1Very low146 Ų146128.9 Ų128.990%0.89677%0.767SS**  6.893129.9-28.50000116.1
237T29.7Very low30.5Very low119 Ų119126.2 Ų126.273%0.7376%0.756SS**  trans-131.5117.6153.140.70000109.4A235 T239A235-T237 PolarHBondContact O-N 3.43Å; T237-T239 PolarHBondContact O-N 3.44Å; T237-T239 PolarHBondContact O-OG1 3.47Å
238T28.3Very low30.9Very low142 Ų142124.8 Ų124.887%0.87175%0.749SS**  trans-36.597.1167.332.30000112.6
239T27.6Very low31.7Very low115 Ų115121.4 Ų121.471%0.70674%0.737SS**  trans-117.8106.9155.516.10000106.6T237 N241T237-T239 PolarHBondContact O-N 3.44Å; T237-T239 PolarHBondContact O-OG1 3.47Å; T239-N241 PolarHBondContact O-N 2.97Å
240T28.6Very low32.4Very low139 Ų139120.3 Ų120.385%0.85373%0.725SS**  trans-60.987.1171.741.70000108.4P242T240-P242 WeakPolarHBondContact O-CD 3.47Å
241N30.2Very low33Very low136 Ų136119.6 Ų119.673%0.72772%0.72SS**  trans-62.3124.4164.6-74-30.5000106.7T239 A243T239-N241 PolarHBondContact O-N 2.97Å; N241-A243 PolarHBondContact O-N 3.41Å
242P30.9Very low33.6Very low109 Ų109116.4 Ų116.471%0.70871%0.706SS**  trans-54.6138.6171.622.8-30.7000107.9T240 I244T240-P242 WeakPolarHBondContact O-CD 3.47Å; P242-I244 PolarHBondContact O-N 2.79Å
243A35.9Very low34.6Very low90 Ų90117.8 Ų117.874%0.74470%0.702SS**  trans-47.7112.7178.800000107.9N241 E245N241-A243 PolarHBondContact O-N 3.41Å; A243-E245 PolarHBondContact O-N 3.11Å
244I37.4Very low35.8Very low161 Ų161115.2 Ų115.283%0.82669%0.687SS**  trans-65.690.7165.4-60.1171.9000102.7P242 S246P242-I244 PolarHBondContact O-N 2.79Å; I244-S246 PolarHBondContact O-N 2.96Å
245E41.4Very low36.8Very low178 Ų178113.3 Ų113.383%0.83267%0.671SS**  trans-50.7112.6170.2-77.1-173.3167.100105.4A243 G247A243-E245 PolarHBondContact O-N 3.11Å; E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.04Å
246S39.7Very low38Very low75 Ų75114.9 Ų114.952%0.52467%0.669SS.*  trans-46.793.9177.2165.30000109.1I244 N248 S249I244-S246 PolarHBondContact O-N 2.96Å; S246-N248 PolarHBondContact O-N 2.84Å; S246-S249 PolarHBondContact O-N 2.76Å
247G39.5Very low39.5Very low48 Ų48112.2 Ų112.250%0.49565%0.649SS.*THydrogen-bonded Turntrans-60.8-4.3172.200000112.6E245 S249 T250E245-G247 VanDerWaalsContact C-N 3.28Å; E245-G247 PolarHBondContact O-N 3.04Å; G247-S249 VanDerWaalsContact C-N 3.3Å; G247-T250 PolarHBondContact O-OG1 3Å
248N40.8Very low40.8Very low115 Ų115109.6 Ų109.662%0.61563%0.634SS**Hα-helixtrans-74.3-20.5173.1-60.6-12.4000112.1S246 L252S246-N248 PolarHBondContact O-N 2.84Å; N248-L252 WeakPolarHBondContact O-CB 3.31Å; N248-L252 PolarHBondContact O-N 3.1Å
249S43.3Very low42.8Very low79 Ų79109 Ų10955%0.55262%0.619SS**Hα-helixtrans-66.7-45.4-179.41750000112.5S246 G247 K253S246-S249 PolarHBondContact O-N 2.76Å; G247-S249 VanDerWaalsContact C-N 3.3Å; S249-K253 WeakPolarHBondContact O-CB 3.44Å; S249-K253 PolarHBondContact O-N 3.47Å
250T42.2Very low44.4Very low96 Ų96108.9 Ų108.959%0.58961%0.61SS**Hα-helixtrans-72-41.4-17849.80000111.4G247 L252 K253 T254G247-T250 PolarHBondContact O-OG1 3Å; T250-L252 PolarHBondContact O-N 3.32Å; T250-K253 WeakPolarHBondContact O-CB 3.4Å; T250-K253 PolarHBondContact O-N 3.49Å; T250-T254 PolarHBondContact O-N 2.94Å; T250-T254 PolarHBondContact O-OG1 3.08Å
251M39.6Very low45.9Very low132 Ų132107.5 Ų107.565%0.6559%0.594SS**Hα-helixtrans-66-40.6-177.9-155.2178.1176.700112.4K253 T254 I255M251-K253 VanDerWaalsContact C-N 3.33Å; M251-T254 PolarHBondContact O-N 3.49Å; M251-I255 HydrophobicContact CG-CD1 4.47Å; M251-I255 VanDerWaalsContact O-CG1 3.26Å; M251-I255 WeakPolarHBondContact O-CG1 3.17Å; M251-I255 PolarHBondContact O-N 3.23Å
252L40.5Very low47.5Very low107 Ų107104.4 Ų104.456%0.5658%0.582SS**Hα-helixtrans-65.9-35.7173.3-81.9163.9000112.2N248 T250 I255 N256N248-L252 WeakPolarHBondContact O-CB 3.31Å; N248-L252 PolarHBondContact O-N 3.1Å; T250-L252 PolarHBondContact O-N 3.32Å; L252-I255 PolarHBondContact O-N 3.39Å; L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 2.99Å
253K46.2Very low49.4Very low145 Ų145104.8 Ų104.863%0.6357%0.574SS**Hα-helixtrans-64.3-44.7174.9-142.3174.7-174.2-179.10110.9S249 T250 M251 I255 N256 D257S249-K253 WeakPolarHBondContact O-CB 3.44Å; S249-K253 PolarHBondContact O-N 3.47Å; T250-K253 WeakPolarHBondContact O-CB 3.4Å; T250-K253 PolarHBondContact O-N 3.49Å; M251-K253 VanDerWaalsContact C-N 3.33Å; K253-I255 PolarHBondContact O-N 3.42Å; K253-N256 PolarHBondContact O-N 2.79Å; K253-D257 VanDerWaalsContact O-CG 3.31Å; K253-D257 PolarHBondContact O-N 3.29Å
254T48.2Very low50.8Low85 Ų85105.5 Ų105.552%0.52157%0.565SS.*Hα-helixtrans-63.2-38.8175.6-45.50000112.3T250 M251 D257 T258T250-T254 PolarHBondContact O-N 2.94Å; T250-T254 PolarHBondContact O-OG1 3.08Å; M251-T254 PolarHBondContact O-N 3.49Å; T254-D257 PolarHBondContact O-N 3.45Å; T254-T258 WeakPolarHBondContact O-CG2 3.22Å; T254-T258 PolarHBondContact O-N 3.03Å; T254-T258 PolarHBondContact O-OG1 3.3Å
255I49.3Very low52.1Low89 Ų89102.1 Ų102.146%0.45655%0.548SS..Hα-helixtrans-69.1-39.4177.3-66.3163.5000111.5M251 L252 K253 D257 T258 K259M251-I255 HydrophobicContact CG-CD1 4.47Å; M251-I255 VanDerWaalsContact O-CG1 3.26Å; M251-I255 WeakPolarHBondContact O-CG1 3.17Å; M251-I255 PolarHBondContact O-N 3.23Å; L252-I255 PolarHBondContact O-N 3.39Å; K253-I255 PolarHBondContact O-N 3.42Å; I255-D257 VanDerWaalsContact C-N 3.3Å; I255-T258 WeakPolarHBondContact CA-OG1 3.49Å; I255-T258 PolarHBondContact O-N 3.43Å; I255-T258 PolarHBondContact O-OG1 3.01Å; I255-K259 PolarHBondContact O-N 2.99Å
256N52.6Low53.5Low106 Ų10699 Ų9957%0.56754%0.537SS*.Hα-helixtrans-65.7-37.2174.7-81.8-18.3000111.3L252 K253 K259 H260L252-N256 WeakPolarHBondContact O-CB 3.44Å; L252-N256 PolarHBondContact O-N 2.99Å; K253-N256 PolarHBondContact O-N 2.79Å; N256-K259 PolarHBondContact O-N 2.92Å; N256-H260 WeakPolarHBondContact O-CB 3.32Å; N256-H260 PolarHBondContact O-N 3.26Å
257D58.6Low55Low90 Ų9097 Ų9748%0.48153%0.528SS..Hα-helixtrans-64.6-40.6174-72.4-17.3000111.4K253 T254 I255 H260 Q261K253-D257 VanDerWaalsContact O-CG 3.31Å; K253-D257 PolarHBondContact O-N 3.29Å; T254-D257 PolarHBondContact O-N 3.45Å; I255-D257 VanDerWaalsContact C-N 3.3Å; D257-H260 PolarHBondContact O-N 3.21Å; D257-Q261 WeakPolarHBondContact O-CB 3.29Å; D257-Q261 WeakPolarHBondContact O-CG 3.42Å; D257-Q261 PolarHBondContact O-N 3.14Å
258T57Low56.5Low65 Ų6599.5 Ų99.540%0.39953%0.53SS..Hα-helixtrans-68.4-38.2176.657.10000112.3T254 I255 Q261 C262T254-T258 WeakPolarHBondContact O-CG2 3.22Å; T254-T258 PolarHBondContact O-N 3.03Å; T254-T258 PolarHBondContact O-OG1 3.3Å; I255-T258 WeakPolarHBondContact CA-OG1 3.49Å; I255-T258 PolarHBondContact O-N 3.43Å; I255-T258 PolarHBondContact O-OG1 3.01Å; T258-Q261 PolarHBondContact O-N 2.66Å; T258-C262 PolarHBondContact O-N 2.63Å; T258-C262 PolarHBondContact O-SG 3.46Å
259K69.7Low57.8Low130 Ų130100.2 Ų100.257%0.56553%0.528SS*.Hα-helixtrans-62.5-46.9175.3-172.5-179.6176.4-174.30111.5I255 N256 Q261 C262 E263I255-K259 PolarHBondContact O-N 2.99Å; N256-K259 PolarHBondContact O-N 2.92Å; K259-Q261 VanDerWaalsContact C-N 3.32Å; K259-Q261 PolarHBondContact O-N 2.86Å; K259-C262 PolarHBondContact O-N 2.81Å; K259-E263 PolarHBondContact O-N 3.03Å
260H61.3Low59.3Low111 Ų111102.7 Ų102.751%0.51453%0.53SS..Hα-helixtrans-62.8-39.3176.3-178.2-91.1000111.7N256 D257 E263 L264N256-H260 WeakPolarHBondContact O-CB 3.32Å; N256-H260 PolarHBondContact O-N 3.26Å; D257-H260 PolarHBondContact O-N 3.21Å; H260-E263 PolarHBondContact O-N 3.47Å; H260-L264 VanDerWaalsContact CE1-CD1 3.46Å; H260-L264 WeakPolarHBondContact CE1-CD1 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.25Å; H260-L264 PolarHBondContact O-N 2.96Å
261Q60.5Low60.7Low110 Ų110103.7 Ų103.751%0.51453%0.528SS..Hα-helixtrans-62.8-41.9173.6-75.8174.8300112.3D257 T258 K259 E263 L264 I265D257-Q261 WeakPolarHBondContact O-CB 3.29Å; D257-Q261 WeakPolarHBondContact O-CG 3.42Å; D257-Q261 PolarHBondContact O-N 3.14Å; T258-Q261 PolarHBondContact O-N 2.66Å; K259-Q261 VanDerWaalsContact C-N 3.32Å; K259-Q261 PolarHBondContact O-N 2.86Å; Q261-E263 PolarHBondContact O-N 2.82Å; Q261-L264 PolarHBondContact O-N 3.28Å; Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.46Å
262C62.2Low62.2Low71 Ų71101.3 Ų101.348%0.4852%0.517SS..Hα-helixtrans-62.3-41175.6-72.40000112.1T258 K259 I265 N266T258-C262 PolarHBondContact O-N 2.63Å; T258-C262 PolarHBondContact O-SG 3.46Å; K259-C262 PolarHBondContact O-N 2.81Å; C262-I265 PolarHBondContact O-N 2.58Å; C262-N266 WeakPolarHBondContact O-CB 3.46Å; C262-N266 VanDerWaalsContact O-CG 3.28Å; C262-N266 PolarHBondContact O-N 3.36Å; C262-N266 PolarHBondContact O-ND2 2.9Å
263E71Confident63.6Low117 Ų11799.9 Ų99.955%0.54751%0.513SS..Hα-helixtrans-64.5-41.6175.8-73.8176.5-171.200111.8K259 H260 Q261 N266 G267K259-E263 PolarHBondContact O-N 3.03Å; H260-E263 PolarHBondContact O-N 3.47Å; Q261-E263 PolarHBondContact O-N 2.82Å; E263-N266 PolarHBondContact O-N 3.45Å; E263-G267 PolarHBondContact O-N 3.04Å
264L65.8Low64.9Low106 Ų10699.8 Ų99.856%0.55551%0.513SS*.Hα-helixtrans-62.5-44.1174.3-74.8173.4000112.5H260 Q261 G267 L268H260-L264 VanDerWaalsContact CE1-CD1 3.46Å; H260-L264 WeakPolarHBondContact CE1-CD1 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.25Å; H260-L264 PolarHBondContact O-N 2.96Å; Q261-L264 PolarHBondContact O-N 3.28Å; L264-G267 PolarHBondContact O-N 3.19Å; L264-L268 PolarHBondContact O-N 3.32Å
265I65.5Low66Low90 Ų90102 Ų10246%0.46252%0.515SS..Hα-helixtrans-63.3-45.7178.2-69.8165.7000110.2Q261 C262 G267 L268 F269Q261-I265 VanDerWaalsContact O-CG1 3.26Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.46Å; C262-I265 PolarHBondContact O-N 2.58Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.79Å; I265-L268 PolarHBondContact O-N 2.91Å; I265-F269 HydrophobicContact CG2-CD2 3.76Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 WeakPolarHBondContact O-CD2 3.39Å; I265-F269 PolarHBondContact O-N 2.94Å
266N69.2Low66.6Low111 Ų111102 Ų10259%0.59452%0.515SS*.Hα-helixtrans-63-39.9177.3-74.4-17.8000112C262 E263 L268 F269 H270C262-N266 WeakPolarHBondContact O-CB 3.46Å; C262-N266 VanDerWaalsContact O-CG 3.28Å; C262-N266 PolarHBondContact O-N 3.36Å; C262-N266 PolarHBondContact O-ND2 2.9Å; E263-N266 PolarHBondContact O-N 3.45Å; N266-L268 VanDerWaalsContact C-N 3.34Å; N266-L268 PolarHBondContact O-N 3.44Å; N266-F269 PolarHBondContact O-N 3.3Å; N266-H270 WeakPolarHBondContact O-CB 3.44Å; N266-H270 PolarHBondContact O-N 3.31Å
267G71.4Confident67.2Low33 Ų33100.4 Ų100.434%0.3451%0.51SS..Hα-helixtrans-61.5-40.8173.900000112.7E263 L264 I265 H270 Q271E263-G267 PolarHBondContact O-N 3.04Å; L264-G267 PolarHBondContact O-N 3.19Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.79Å; G267-H270 PolarHBondContact O-N 2.91Å; G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.17Å; G267-Q271 VanDerWaalsContact O-N 3.1Å
268L72.2Confident67.3Low101 Ų10199.6 Ų99.653%0.52951%0.51SS..Hα-helixtrans-66.7-46.6176.4-176.466000111.8L264 I265 N266 H270 Q271 I272L264-L268 PolarHBondContact O-N 3.32Å; I265-L268 PolarHBondContact O-N 2.91Å; N266-L268 VanDerWaalsContact C-N 3.34Å; N266-L268 PolarHBondContact O-N 3.44Å; L268-H270 VanDerWaalsContact C-N 3.31Å; L268-H270 PolarHBondContact O-N 3.4Å; L268-Q271 PolarHBondContact O-N 3.35Å; L268-I272 HydrophobicContact CD1-CD1 4.32Å; L268-I272 HydrophobicContact CG-CD1 3.97Å; L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.24Å
269F68.4Low67.5Low131 Ų131101.3 Ų101.358%0.57552%0.516SS*.Hα-helixtrans-57.5-45175.3-94.6-77.8000111.5I265 N266 Q271 I272 T273I265-F269 HydrophobicContact CG2-CD2 3.76Å; I265-F269 HydrophobicContact CG2-CE2 3.87Å; I265-F269 WeakPolarHBondContact O-CD2 3.39Å; I265-F269 PolarHBondContact O-N 2.94Å; N266-F269 PolarHBondContact O-N 3.3Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 3.07Å; F269-I272 PolarHBondContact O-N 2.89Å; F269-T273 WeakPolarHBondContact O-CB 3.37Å; F269-T273 PolarHBondContact O-N 3.39Å; F269-T273 PolarHBondContact O-OG1 3.45Å
270H73.5Confident67.3Low130 Ų130101 Ų10160%0.60252%0.517SS*.Hα-helixtrans-60.5-41.8177.6-174.370.5000112.5N266 G267 L268 K274N266-H270 WeakPolarHBondContact O-CB 3.44Å; N266-H270 PolarHBondContact O-N 3.31Å; G267-H270 PolarHBondContact O-N 2.91Å; L268-H270 VanDerWaalsContact C-N 3.31Å; L268-H270 PolarHBondContact O-N 3.4Å; H270-K274 WeakPolarHBondContact O-CB 3.01Å; H270-K274 PolarHBondContact O-N 3.42Å
271Q73Confident67.5Low117 Ų117101 Ų10155%0.54752%0.517SS..Hα-helixtrans-65.4-41.9176-73.7-173.636.100112.7G267 L268 F269 K274 K275G267-Q271 WeakPolarHBondContact O-CG 3.41Å; G267-Q271 PolarHBondContact O-N 3.17Å; G267-Q271 VanDerWaalsContact O-N 3.1Å; L268-Q271 PolarHBondContact O-N 3.35Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 3.07Å; Q271-K274 PolarHBondContact O-N 3.01Å; Q271-K275 WeakPolarHBondContact O-CG 3.47Å; Q271-K275 PolarHBondContact O-N 3.33Å
272I71.2Confident67.8Low82 Ų82101.8 Ų101.842%0.42152%0.519SS..Hα-helixtrans-63.3-47.8177.4-68.3169.1000110L268 F269 K274 K275 L276L268-I272 HydrophobicContact CD1-CD1 4.32Å; L268-I272 HydrophobicContact CG-CD1 3.97Å; L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.24Å; F269-I272 PolarHBondContact O-N 2.89Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3Å; I272-K275 PolarHBondContact O-N 3.46Å; I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 2.84Å
273T69.8Low68.5Low78 Ų78102.5 Ų102.548%0.47952%0.518SS..Hα-helixtrans-58.6-46.8177.9-58.40000111.2F269 K275 L276 T277F269-T273 WeakPolarHBondContact O-CB 3.37Å; F269-T273 PolarHBondContact O-N 3.39Å; F269-T273 PolarHBondContact O-OG1 3.45Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; T273-L276 PolarHBondContact O-N 3.19Å; T273-T277 PolarHBondContact O-N 3.11Å; T273-T277 PolarHBondContact O-OG1 2.92Å
274K73.5Confident68.5Low143 Ų143102.5 Ų102.562%0.62252%0.518SS*.Hα-helixtrans-59.2-41.4177.9-170175.9-178.6179.10112H270 Q271 I272 T277 C278H270-K274 WeakPolarHBondContact O-CB 3.01Å; H270-K274 PolarHBondContact O-N 3.42Å; Q271-K274 PolarHBondContact O-N 3.01Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3Å; K274-T277 PolarHBondContact O-N 3.28Å; K274-C278 PolarHBondContact O-N 3.3Å; K274-C278 PolarHBondContact O-SG 3.14Å; K274-C278 VanDerWaalsContact O-SG 3.32Å
275K70.2Confident68.9Low131 Ų131105.8 Ų105.857%0.5752%0.523SS*.Hα-helixtrans-67.4-40.6177.1-74.7-173.3177.2-168.30112.7Q271 I272 T273 C278 L279Q271-K275 WeakPolarHBondContact O-CG 3.47Å; Q271-K275 PolarHBondContact O-N 3.33Å; I272-K275 PolarHBondContact O-N 3.46Å; T273-K275 VanDerWaalsContact C-N 3.31Å; T273-K275 PolarHBondContact O-N 2.87Å; K275-C278 PolarHBondContact O-N 3.03Å; K275-L279 PolarHBondContact O-N 2.99Å; K275-L279 VanDerWaalsContact O-N 3.08Å
276L63.2Low69Low88 Ų88104.4 Ų104.446%0.46152%0.518SS..Hα-helixtrans-63.9-40.1176.2-75.4167.5000111.8I272 T273 C278 L279 H280I272-L276 HydrophobicContact CG2-CD1 3.85Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.39Å; I272-L276 PolarHBondContact O-N 2.84Å; T273-L276 PolarHBondContact O-N 3.19Å; L276-C278 PolarHBondContact O-N 3.43Å; L276-L279 PolarHBondContact O-N 3.35Å; L276-H280 PolarHBondContact O-N 3.29Å
277T63.7Low69.1Low73 Ų73102.8 Ų102.845%0.44851%0.509SS..Hα-helixtrans-62.2-42.8175-50.70000111.9T273 K274 L279 H280 E281T273-T277 PolarHBondContact O-N 3.11Å; T273-T277 PolarHBondContact O-OG1 2.92Å; K274-T277 PolarHBondContact O-N 3.28Å; T277-L279 VanDerWaalsContact C-N 3.32Å; T277-L279 PolarHBondContact O-N 3.45Å; T277-H280 PolarHBondContact O-N 3.45Å; T277-E281 PolarHBondContact O-N 2.95Å
278C61.1Low69.3Low74 Ų74105.5 Ų105.550%0.552%0.516SS..Hα-helixtrans-63.4-35.6175.9-66.20000112.9K274 K275 L276 F282K274-C278 PolarHBondContact O-N 3.3Å; K274-C278 PolarHBondContact O-SG 3.14Å; K274-C278 VanDerWaalsContact O-SG 3.32Å; K275-C278 PolarHBondContact O-N 3.03Å; L276-C278 PolarHBondContact O-N 3.43Å; C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.48Å
279L61.3Low69.3Low100 Ų100107.4 Ų107.452%0.52452%0.522SS..Hα-helixtrans-66.3-43.6175.1-75.6167.9000111.5K275 L276 T277 E281 F282 D283K275-L279 PolarHBondContact O-N 2.99Å; K275-L279 VanDerWaalsContact O-N 3.08Å; L276-L279 PolarHBondContact O-N 3.35Å; T277-L279 VanDerWaalsContact C-N 3.32Å; T277-L279 PolarHBondContact O-N 3.45Å; L279-E281 PolarHBondContact O-N 2.92Å; L279-F282 WeakPolarHBondContact O-CB 3.29Å; L279-F282 PolarHBondContact O-N 2.84Å; L279-D283 PolarHBondContact O-N 3.41Å
280H66.4Low69.4Low124 Ų124106.6 Ų106.657%0.57452%0.523SS*.Hα-helixtrans-64.3-39.5176.5-70.3-171.3000112.4L276 T277 F282 D283 E284L276-H280 PolarHBondContact O-N 3.29Å; T277-H280 PolarHBondContact O-N 3.45Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.29Å; H280-D283 PolarHBondContact O-N 3.49Å; H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3Å
281E65.2Low69.5Low111 Ų111106 Ų10652%0.51952%0.521SS..Hα-helixtrans-65.6-35.2174.2-78.1-175-178.700112.5T277 L279 R285T277-E281 PolarHBondContact O-N 2.95Å; L279-E281 PolarHBondContact O-N 2.92Å; E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.23Å
282F65.3Low70Confident126 Ų126105.3 Ų105.355%0.55352%0.521SS*.Hα-helixtrans-65.6-46174.8-176.3-99000111C278 L279 H280 E284 R285 V286C278-F282 WeakPolarHBondContact O-CB 3.35Å; C278-F282 PolarHBondContact O-N 3.48Å; L279-F282 WeakPolarHBondContact O-CB 3.29Å; L279-F282 PolarHBondContact O-N 2.84Å; H280-F282 VanDerWaalsContact C-N 3.32Å; H280-F282 PolarHBondContact O-N 3.29Å; F282-E284 PolarHBondContact O-N 2.89Å; F282-R285 PolarHBondContact O-N 3.06Å; F282-V286 HydrophobicContact CD1-CG2 3.99Å; F282-V286 HydrophobicContact CE1-CG2 3.61Å; F282-V286 HydrophobicContact CE2-CG2 4.17Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.7Å; F282-V286 WeakPolarHBondContact O-CG2 3.46Å; F282-V286 PolarHBondContact O-N 3.04Å
283D77Confident70Confident86 Ų86103.4 Ų103.446%0.4652%0.517SS..Hα-helixtrans-59.2-44.6177.4-76.2-16.3000111.5L279 H280 R285 V286 I287L279-D283 PolarHBondContact O-N 3.41Å; H280-D283 PolarHBondContact O-N 3.49Å; D283-R285 PolarHBondContact O-N 3.03Å; D283-V286 PolarHBondContact O-N 2.86Å; D283-I287 WeakPolarHBondContact O-CB 3.31Å; D283-I287 WeakPolarHBondContact O-CD1 3.38Å; D283-I287 WeakPolarHBondContact O-CG1 3.4Å; D283-I287 PolarHBondContact O-N 2.98Å
284E71.4Confident70.3Confident117 Ų117102.7 Ų102.755%0.54752%0.515SS..Hα-helixtrans-60.2-42.3176.3-77.3-68.5156.700112.5H280 F282 N288H280-E284 WeakPolarHBondContact O-CG 3.44Å; H280-E284 PolarHBondContact O-N 3Å; F282-E284 PolarHBondContact O-N 2.89Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.29Å; E284-N288 PolarHBondContact O-N 2.77Å; E284-N288 PolarHBondContact O-ND2 3.24Å
285R73.7Confident70.6Confident176 Ų176100.2 Ų100.266%0.66451%0.505SS*.Hα-helixtrans-66.3-43177.2-72.5-177-172.7-1704.6112E281 F282 D283 N288 Q289E281-R285 WeakPolarHBondContact O-CG 3.38Å; E281-R285 PolarHBondContact O-N 3.23Å; F282-R285 PolarHBondContact O-N 3.06Å; D283-R285 PolarHBondContact O-N 3.03Å; R285-N288 PolarHBondContact O-N 3.22Å; R285-Q289 WeakPolarHBondContact O-CG 3.48Å; R285-Q289 PolarHBondContact O-N 3.37Å
286V67.9Low71.1Confident60 Ų6098.3 Ų98.336%0.36450%0.5SS..Hα-helixtrans-66.2-42.9179.2173.20000110.9F282 D283 N288 Q289 L290F282-V286 HydrophobicContact CD1-CG2 3.99Å; F282-V286 HydrophobicContact CE1-CG2 3.61Å; F282-V286 HydrophobicContact CE2-CG2 4.17Å; F282-V286 HydrophobicContact CG-CG2 4.44Å; F282-V286 HydrophobicContact CZ-CG2 3.7Å; F282-V286 WeakPolarHBondContact O-CG2 3.46Å; F282-V286 PolarHBondContact O-N 3.04Å; D283-V286 PolarHBondContact O-N 2.86Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.23Å; V286-Q289 PolarHBondContact O-N 3.44Å; V286-L290 WeakPolarHBondContact O-CB 3.35Å; V286-L290 PolarHBondContact O-N 2.98Å
287I71.2Confident71.8Confident78 Ų7898.5 Ų98.540%0.450%0.501SS..Hα-helixtrans-60.1-45.2176.3-70.1164.9000110.4D283 Q289 L290 Q291D283-I287 WeakPolarHBondContact O-CB 3.31Å; D283-I287 WeakPolarHBondContact O-CD1 3.38Å; D283-I287 WeakPolarHBondContact O-CG1 3.4Å; D283-I287 PolarHBondContact O-N 2.98Å; I287-Q289 PolarHBondContact O-N 3.11Å; I287-L290 PolarHBondContact O-N 2.77Å; I287-Q291 HydrophobicContact CG2-CG 4.45Å; I287-Q291 WeakPolarHBondContact O-CB 3.2Å; I287-Q291 VanDerWaalsContact O-CG 3.31Å; I287-Q291 WeakPolarHBondContact O-CG 3.49Å; I287-Q291 PolarHBondContact O-N 2.94Å
288N76.6Confident72.4Confident89 Ų8998.6 Ų98.648%0.47650%0.499SS..Hα-helixtrans-63.4-41.2178-77-48.8000112.5E284 R285 V286 Q291 N292E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.29Å; E284-N288 PolarHBondContact O-N 2.77Å; E284-N288 PolarHBondContact O-ND2 3.24Å; R285-N288 PolarHBondContact O-N 3.22Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.23Å; N288-Q291 PolarHBondContact O-N 2.92Å; N288-N292 PolarHBondContact O-N 3.05Å
289Q72Confident73Confident141 Ų14198.2 Ų98.266%0.65949%0.492SS*.Hα-helixtrans-64.6-42.2175.3-74.8-178.3-9.900112R285 V286 I287 N292 A293R285-Q289 WeakPolarHBondContact O-CG 3.48Å; R285-Q289 PolarHBondContact O-N 3.37Å; V286-Q289 PolarHBondContact O-N 3.44Å; I287-Q289 PolarHBondContact O-N 3.11Å; Q289-N292 PolarHBondContact O-N 3.03Å; Q289-A293 PolarHBondContact O-N 3.34Å
290L69.4Low73.2Confident114 Ų11498.5 Ų98.560%0.59749%0.493SS*.Hα-helixtrans-65.3-40.7178.4-168.771.8000111.7V286 I287 N292 A293 C294V286-L290 WeakPolarHBondContact O-CB 3.35Å; V286-L290 PolarHBondContact O-N 2.98Å; I287-L290 PolarHBondContact O-N 2.77Å; L290-N292 VanDerWaalsContact C-N 3.35Å; L290-A293 PolarHBondContact O-N 3.35Å; L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 3.31Å
291Q77.4Confident73.2Confident118 Ų11897.9 Ų97.955%0.55149%0.491SS*.Hα-helixtrans-62.1-42.3174.7-75176.7-1.400111.9I287 N288 C294 Q295I287-Q291 HydrophobicContact CG2-CG 4.45Å; I287-Q291 WeakPolarHBondContact O-CB 3.2Å; I287-Q291 VanDerWaalsContact O-CG 3.31Å; I287-Q291 WeakPolarHBondContact O-CG 3.49Å; I287-Q291 PolarHBondContact O-N 2.94Å; N288-Q291 PolarHBondContact O-N 2.92Å; Q291-C294 PolarHBondContact O-N 2.75Å; Q291-Q295 PolarHBondContact O-N 2.92Å
292N82.6Confident73.4Confident102 Ų10298.4 Ų98.455%0.54549%0.491SS..Hα-helixtrans-63.8-44.6175.8-165.78.3000111.6N288 Q289 L290 C294 Q295 I296N288-N292 PolarHBondContact O-N 3.05Å; Q289-N292 PolarHBondContact O-N 3.03Å; L290-N292 VanDerWaalsContact C-N 3.35Å; N292-C294 PolarHBondContact O-N 3.35Å; N292-Q295 WeakPolarHBondContact O-CB 3.14Å; N292-Q295 PolarHBondContact O-N 3.4Å; N292-I296 WeakPolarHBondContact O-CG1 3.35Å; N292-I296 PolarHBondContact O-N 3.05Å
293A72.3Confident73.4Confident42 Ų4296.6 Ų96.635%0.34749%0.491SS..Hα-helixtrans-60.5-43.5175.700000112.3Q289 L290 Q295 I296 I297Q289-A293 PolarHBondContact O-N 3.34Å; L290-A293 PolarHBondContact O-N 3.35Å; A293-Q295 VanDerWaalsContact C-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.41Å; A293-I296 PolarHBondContact O-N 3.36Å; A293-I297 VanDerWaalsContact O-CG1 3.32Å; A293-I297 WeakPolarHBondContact O-CG1 3.34Å; A293-I297 PolarHBondContact O-N 3.47Å
294C75.6Confident72.5Confident63 Ų6396.1 Ų96.143%0.42649%0.49SS..Hα-helixtrans-60.7-39.2174.8-75.80000112.4L290 Q291 N292 I297 N298L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.12Å; L290-C294 PolarHBondContact O-SG 3.31Å; Q291-C294 PolarHBondContact O-N 2.75Å; N292-C294 PolarHBondContact O-N 3.35Å; C294-I297 PolarHBondContact O-N 3.2Å; C294-N298 WeakPolarHBondContact O-CB 3.41Å; C294-N298 VanDerWaalsContact O-CG 3.3Å; C294-N298 PolarHBondContact O-N 3.45Å; C294-N298 PolarHBondContact O-ND2 3.07Å
295Q79.2Confident71.9Confident92 Ų9297.3 Ų97.343%0.4349%0.494SS..Hα-helixtrans-64.2-45.6176.3-175.358.437.700111.4Q291 N292 A293 I297 N298 D299Q291-Q295 PolarHBondContact O-N 2.92Å; N292-Q295 WeakPolarHBondContact O-CB 3.14Å; N292-Q295 PolarHBondContact O-N 3.4Å; A293-Q295 VanDerWaalsContact C-N 3.31Å; A293-Q295 PolarHBondContact O-N 3.41Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; Q295-I297 PolarHBondContact O-N 2.8Å; Q295-N298 PolarHBondContact O-N 3.13Å; Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 PolarHBondContact NE2-OD2 3.41Å; Q295-D299 PolarHBondContact O-N 3.43Å
296I80.9Confident71.1Confident91 Ų9194.6 Ų94.647%0.46749%0.492SS..Hα-helixtrans-59.4-44.8176.8-66.2165.8000110.9N292 A293 N298 D299 L300N292-I296 WeakPolarHBondContact O-CG1 3.35Å; N292-I296 PolarHBondContact O-N 3.05Å; A293-I296 PolarHBondContact O-N 3.36Å; I296-N298 VanDerWaalsContact C-N 3.34Å; I296-N298 PolarHBondContact O-N 3.47Å; I296-D299 PolarHBondContact O-N 3.41Å; I296-L300 HydrophobicContact CG2-CD1 4.06Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 3.17Å
297I78.2Confident70.7Confident91 Ų9194.2 Ų94.247%0.46749%0.492SS..Hα-helixtrans-61.3-43.5177.5-68.5166.7000111A293 C294 Q295 D299 L300 Q301A293-I297 VanDerWaalsContact O-CG1 3.32Å; A293-I297 WeakPolarHBondContact O-CG1 3.34Å; A293-I297 PolarHBondContact O-N 3.47Å; C294-I297 PolarHBondContact O-N 3.2Å; Q295-I297 VanDerWaalsContact C-N 3.34Å; Q295-I297 PolarHBondContact O-N 2.8Å; I297-D299 VanDerWaalsContact C-N 3.35Å; I297-D299 PolarHBondContact O-N 3Å; I297-L300 PolarHBondContact O-N 3.18Å; I297-Q301 WeakPolarHBondContact O-CG 3.48Å; I297-Q301 PolarHBondContact O-N 2.77Å
298N75.2Confident69.9Low76 Ų7696.4 Ų96.441%0.40650%0.5SS..Hα-helixtrans-63.8-39.2178.5-76.5-30.1000112.5C294 Q295 I296 Q301 K302C294-N298 WeakPolarHBondContact O-CB 3.41Å; C294-N298 VanDerWaalsContact O-CG 3.3Å; C294-N298 PolarHBondContact O-N 3.45Å; C294-N298 PolarHBondContact O-ND2 3.07Å; Q295-N298 PolarHBondContact O-N 3.13Å; I296-N298 VanDerWaalsContact C-N 3.34Å; I296-N298 PolarHBondContact O-N 3.47Å; N298-Q301 PolarHBondContact O-N 3.42Å; N298-K302 WeakPolarHBondContact O-CG 3.41Å; N298-K302 PolarHBondContact O-N 3.05Å; N298-K302 VanDerWaalsContact O-N 3.09Å
299D73.4Confident69Low65 Ų6595.9 Ų95.935%0.34850%0.501SS..Hα-helixtrans-73-35.5179.5-68.6-25.8000111.8Q295 I296 I297 K302 T303Q295-D299 PolarHBondContact NE2-OD1 2.87Å; Q295-D299 PolarHBondContact NE2-OD2 3.41Å; Q295-D299 PolarHBondContact O-N 3.43Å; I296-D299 PolarHBondContact O-N 3.41Å; I297-D299 VanDerWaalsContact C-N 3.35Å; I297-D299 PolarHBondContact O-N 3Å; D299-K302 PolarHBondContact O-N 3.39Å; D299-K302 IonicContact OD1-NZ 3.39Å; D299-K302 PolarHBondContact OD1-NZ 3.14Å; D299-T303 PolarHBondContact O-N 2.78Å; D299-T303 PolarHBondContact O-OG1 3.39Å
300L65.6Low68.3Low106 Ų10692.6 Ų92.656%0.55549%0.493SS*.Hα-helixtrans-61.5-46.4169.3-76.6168.4000111.7I296 I297 K302 T303 V304I296-L300 HydrophobicContact CG2-CD1 4.06Å; I296-L300 WeakPolarHBondContact O-CG 3.47Å; I296-L300 PolarHBondContact O-N 3.17Å; I297-L300 PolarHBondContact O-N 3.18Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.92Å; L300-T303 WeakPolarHBondContact O-CB 3.4Å; L300-T303 PolarHBondContact O-N 2.94Å; L300-T303 VanDerWaalsContact O-N 3.11Å; L300-V304 WeakPolarHBondContact O-CG2 3.46Å; L300-V304 PolarHBondContact O-N 2.75Å
301Q67.2Low67.5Low112 Ų11292.2 Ų92.252%0.52349%0.491SS..Hα-helixtrans-61.1-39.2178.1-77.7-174.9-5.700113I297 N298 T303 K305I297-Q301 WeakPolarHBondContact O-CG 3.48Å; I297-Q301 PolarHBondContact O-N 2.77Å; N298-Q301 PolarHBondContact O-N 3.42Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; Q301-K305 WeakPolarHBondContact O-CG 3.49Å; Q301-K305 PolarHBondContact O-N 3.07Å
302K69.2Low66.4Low121 Ų12192.5 Ų92.553%0.52650%0.496SS..Hα-helixtrans-63.8-41.9173.9-72.1172.3-169.31600111.4N298 D299 L300 K305 L306N298-K302 WeakPolarHBondContact O-CG 3.41Å; N298-K302 PolarHBondContact O-N 3.05Å; N298-K302 VanDerWaalsContact O-N 3.09Å; D299-K302 PolarHBondContact O-N 3.39Å; D299-K302 IonicContact OD1-NZ 3.39Å; D299-K302 PolarHBondContact OD1-NZ 3.14Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 2.92Å; K302-K305 PolarHBondContact O-N 2.94Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.1Å
303T65.2Low65.4Low89 Ų8992.4 Ų92.455%0.54650%0.495SS..Hα-helixtrans-64-41.6180-54.10000111.4D299 L300 Q301 L306 S307D299-T303 PolarHBondContact O-N 2.78Å; D299-T303 PolarHBondContact O-OG1 3.39Å; L300-T303 WeakPolarHBondContact O-CB 3.4Å; L300-T303 PolarHBondContact O-N 2.94Å; L300-T303 VanDerWaalsContact O-N 3.11Å; Q301-T303 VanDerWaalsContact C-N 3.34Å; T303-L306 PolarHBondContact O-N 2.85Å; T303-S307 PolarHBondContact O-N 2.98Å
304V58.8Low64.7Low75 Ų7593.4 Ų93.446%0.45550%0.5SS..Hα-helixtrans-66-42.3175.6177.60000111.7L300 L306 S307 E308L300-V304 WeakPolarHBondContact O-CG2 3.46Å; L300-V304 PolarHBondContact O-N 2.75Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 3.13Å; V304-S307 WeakPolarHBondContact CA-OG 3.22Å; V304-S307 PolarHBondContact O-N 3.32Å; V304-S307 PolarHBondContact O-OG 2.93Å; V304-E308 HydrophobicContact CG1-CG 4.49Å; V304-E308 PolarHBondContact O-N 3.29Å
305K57.5Low63.7Low142 Ų14294.3 Ų94.362%0.61750%0.5SS*.Hα-helixtrans-63.3-36.4176.2-76.4-178.7178.5178.70112.9Q301 K302 T309Q301-K305 WeakPolarHBondContact O-CG 3.49Å; Q301-K305 PolarHBondContact O-N 3.07Å; K302-K305 PolarHBondContact O-N 2.94Å; K305-T309 WeakPolarHBondContact O-CG2 3.42Å; K305-T309 PolarHBondContact O-N 3.08Å; K305-T309 PolarHBondContact O-OG1 3.24Å
306L57.2Low62.5Low120 Ų12095.7 Ų95.763%0.62851%0.506SS*.Hα-helixtrans-71.1-35.5175.5-70.2169.9000111.8K302 T303 V304 T309 S310K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.49Å; K302-L306 PolarHBondContact O-N 3.1Å; T303-L306 PolarHBondContact O-N 2.85Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 3.13Å; L306-T309 PolarHBondContact O-OG1 3.48Å; L306-S310 WeakPolarHBondContact O-CB 3.23Å; L306-S310 PolarHBondContact O-N 3Å; L306-S310 VanDerWaalsContact O-N 3.14Å; L306-S310 PolarHBondContact O-OG 3.3Å
307S59.7Low61.4Low52 Ų52100 Ų10036%0.36452%0.518SS..Hα-helixtrans-71-40.9176.770.50000112T303 V304 S310 L311T303-S307 PolarHBondContact O-N 2.98Å; V304-S307 WeakPolarHBondContact CA-OG 3.22Å; V304-S307 PolarHBondContact O-N 3.32Å; V304-S307 PolarHBondContact O-OG 2.93Å; S307-S310 WeakPolarHBondContact CA-OG 3.4Å; S307-S310 PolarHBondContact O-N 3.04Å; S307-S310 PolarHBondContact O-OG 3.21Å; S307-L311 WeakPolarHBondContact O-CB 3.16Å; S307-L311 PolarHBondContact O-N 3.25Å
308E54.7Low60.3Low123 Ų123101 Ų10158%0.57552%0.521SS*.Hα-helixtrans-62.8-46.9176.9-76.9-179174.800112V304 S310 L311 L312V304-E308 HydrophobicContact CG1-CG 4.49Å; V304-E308 PolarHBondContact O-N 3.29Å; E308-S310 PolarHBondContact O-N 2.92Å; E308-L311 PolarHBondContact O-N 3.34Å; E308-L312 VanDerWaalsContact O-CB 3.28Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 PolarHBondContact O-N 3.33Å
309T57.7Low59.2Low79 Ų79102 Ų10249%0.48553%0.525SS..Hα-helixtrans-66.7-37.1-179.849.60000112.6K305 L306 N313K305-T309 WeakPolarHBondContact O-CG2 3.42Å; K305-T309 PolarHBondContact O-N 3.08Å; K305-T309 PolarHBondContact O-OG1 3.24Å; L306-T309 PolarHBondContact O-OG1 3.48Å; T309-N313 WeakPolarHBondContact O-CB 3.45Å; T309-N313 VanDerWaalsContact O-CG 3.25Å; T309-N313 PolarHBondContact O-N 3.32Å; T309-N313 PolarHBondContact O-ND2 3.18Å
310S56.4Low58.2Low71 Ų71102.7 Ų102.750%0.49753%0.529SS..Hα-helixtrans-70.7-41.4176.157.20000112.6L306 S307 E308 S314L306-S310 WeakPolarHBondContact O-CB 3.23Å; L306-S310 PolarHBondContact O-N 3Å; L306-S310 VanDerWaalsContact O-N 3.14Å; L306-S310 PolarHBondContact O-OG 3.3Å; S307-S310 WeakPolarHBondContact CA-OG 3.4Å; S307-S310 PolarHBondContact O-N 3.04Å; S307-S310 PolarHBondContact O-OG 3.21Å; E308-S310 PolarHBondContact O-N 2.92Å; S310-S314 WeakPolarHBondContact O-CB 3.48Å; S310-S314 PolarHBondContact O-N 2.91Å
311L53.5Low57.5Low106 Ų106105.3 Ų105.356%0.55554%0.539SS*.Hα-helixtrans-63-45.5173.9-104.1154.4000111.7S307 E308 N313 S314 L315S307-L311 WeakPolarHBondContact O-CB 3.16Å; S307-L311 PolarHBondContact O-N 3.25Å; E308-L311 PolarHBondContact O-N 3.34Å; L311-N313 PolarHBondContact O-N 3.42Å; L311-S314 PolarHBondContact O-N 3.49Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.21Å
312L54.8Low56.6Low125 Ų125107.7 Ų107.765%0.65455%0.549SS*.Hα-helixtrans-64.4-42.4-179.3-152.680.3000111.2E308 L315 H316E308-L312 VanDerWaalsContact O-CB 3.28Å; E308-L312 WeakPolarHBondContact O-CB 3.4Å; E308-L312 PolarHBondContact O-N 3.33Å; L312-L315 PolarHBondContact O-N 3.35Å; L312-H316 WeakPolarHBondContact O-CB 3.46Å; L312-H316 PolarHBondContact O-N 3.46Å
313N62.1Low55.8Low99 Ų99109.5 Ų109.553%0.52956%0.558SS.*Hα-helixtrans-64.4-42.2174.7-77.2-20.7000111.6T309 L311 L315 H316 Y317T309-N313 WeakPolarHBondContact O-CB 3.45Å; T309-N313 VanDerWaalsContact O-CG 3.25Å; T309-N313 PolarHBondContact O-N 3.32Å; T309-N313 PolarHBondContact O-ND2 3.18Å; L311-N313 PolarHBondContact O-N 3.42Å; N313-L315 PolarHBondContact O-N 2.99Å; N313-H316 PolarHBondContact O-N 3.18Å; N313-Y317 VanDerWaalsContact O-CD2 3.23Å; N313-Y317 WeakPolarHBondContact O-CD2 3.37Å; N313-Y317 PolarHBondContact O-N 3.41Å
314S55.8Low54.7Low63 Ų63109.6 Ų109.644%0.44156%0.56SS.*Hα-helixtrans-64.2-41.3178.5-166.90000112.3S310 L311 H316 Y317 Q318S310-S314 WeakPolarHBondContact O-CB 3.48Å; S310-S314 PolarHBondContact O-N 2.91Å; L311-S314 PolarHBondContact O-N 3.49Å; S314-H316 VanDerWaalsContact C-N 3.34Å; S314-Y317 PolarHBondContact O-N 3.49Å; S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.35Å; S314-Q318 VanDerWaalsContact O-N 3.1Å
315L55Low53.8Low83 Ų83113.6 Ų113.644%0.43557%0.574SS.*Hα-helixtrans-65.9-38.4174.6-75.7169.5000111.5L311 L312 N313 Q318 L319L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 3.44Å; L311-L315 PolarHBondContact O-N 3.21Å; L312-L315 PolarHBondContact O-N 3.35Å; N313-L315 PolarHBondContact O-N 2.99Å; L315-Q318 PolarHBondContact O-N 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.43Å
316H55.4Low53Low120 Ų120111.8 Ų111.856%0.55658%0.577SS**Hα-helixtrans-63.1-43.3177.6-159.679.5000111.7L312 N313 S314 N320L312-H316 WeakPolarHBondContact O-CB 3.46Å; L312-H316 PolarHBondContact O-N 3.46Å; N313-H316 PolarHBondContact O-N 3.18Å; S314-H316 VanDerWaalsContact C-N 3.34Å; H316-N320 WeakPolarHBondContact O-CB 3.17Å; H316-N320 PolarHBondContact O-N 2.93Å
317Y56.2Low52.3Low181 Ų181114.1 Ų114.171%0.7158%0.582SS**Hα-helixtrans-63-44.5174.5-84.3-71.7000112.5N313 S314 L319 N320 E321N313-Y317 VanDerWaalsContact O-CD2 3.23Å; N313-Y317 WeakPolarHBondContact O-CD2 3.37Å; N313-Y317 PolarHBondContact O-N 3.41Å; S314-Y317 PolarHBondContact O-N 3.49Å; Y317-L319 PolarHBondContact O-N 3.22Å; Y317-N320 PolarHBondContact O-N 3.35Å; Y317-E321 PolarHBondContact O-N 3.02Å; Y317-E321 VanDerWaalsContact O-N 3.08Å
318Q54.9Low51.3Low113 Ų113118.3 Ų118.353%0.52860%0.599SS.*Hα-helixtrans-63.9-41.9178.9-74.6-178.7-21.700112.4S314 L315 H322S314-Q318 WeakPolarHBondContact O-CG 3.26Å; S314-Q318 PolarHBondContact O-N 3.35Å; S314-Q318 VanDerWaalsContact O-N 3.1Å; L315-Q318 PolarHBondContact O-N 3.31Å; Q318-H322 PolarHBondContact O-CD2 3.01Å; Q318-H322 VanDerWaalsContact O-CD2 3.25Å; Q318-H322 PolarHBondContact O-N 3.43Å
319L52.7Low50.6Low97 Ų97121.2 Ų121.251%0.50861%0.61SS.*Hα-helixtrans-68.9-40.7177.5-71.6170.2000111.6L315 Y317 E321 H322 F323L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 3.43Å; Y317-L319 PolarHBondContact O-N 3.22Å; L319-E321 VanDerWaalsContact C-N 3.32Å; L319-E321 PolarHBondContact O-N 2.97Å; L319-H322 PolarHBondContact O-N 3.19Å; L319-H322 VanDerWaalsContact O-N 3.09Å; L319-F323 HydrophobicContact CD2-CE2 4.28Å; L319-F323 VanDerWaalsContact O-CD2 3.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.33Å; L319-F323 PolarHBondContact O-N 3.49Å
320N52Low49.7Very low79 Ų79122.8 Ų122.842%0.42262%0.62SS.*Hα-helixtrans-63.6-36.4177.9-111.11000112.6H316 Y317 H322 F323 C324H316-N320 WeakPolarHBondContact O-CB 3.17Å; H316-N320 PolarHBondContact O-N 2.93Å; Y317-N320 PolarHBondContact O-N 3.35Å; N320-H322 VanDerWaalsContact C-N 3.26Å; N320-H322 PolarHBondContact O-N 3.48Å; N320-F323 PolarHBondContact O-N 3.29Å; N320-C324 VanDerWaalsContact O-CB 3.24Å; N320-C324 WeakPolarHBondContact O-CB 3.4Å; N320-C324 PolarHBondContact O-N 3.06Å
321E52.4Low48.9Very low162 Ų162124.4 Ų124.476%0.75763%0.631SS**Hα-helixtrans-62.1-34.7173.2-80.9-158.5151.100112.5Y317 L319Y317-E321 PolarHBondContact O-N 3.02Å; Y317-E321 VanDerWaalsContact O-N 3.08Å; L319-E321 VanDerWaalsContact C-N 3.32Å; L319-E321 PolarHBondContact O-N 2.97Å
322H48.2Very low47.9Very low161 Ų161126.7 Ų126.775%0.74564%0.639SS**Hα-helixtrans-77.3-30.9179.5-81.7-65.6000114.1Q318 L319 N320Q318-H322 PolarHBondContact O-CD2 3.01Å; Q318-H322 VanDerWaalsContact O-CD2 3.25Å; Q318-H322 PolarHBondContact O-N 3.43Å; L319-H322 PolarHBondContact O-N 3.19Å; L319-H322 VanDerWaalsContact O-N 3.09Å; N320-H322 VanDerWaalsContact C-N 3.26Å; N320-H322 PolarHBondContact O-N 3.48Å
323F50.6Low47Very low160 Ų160125.4 Ų125.470%0.70264%0.64SS**Hα-helixtrans-92.2-28.4-178.8-74.6-73.4000114.2L319 N320 Q325L319-F323 HydrophobicContact CD2-CE2 4.28Å; L319-F323 VanDerWaalsContact O-CD2 3.25Å; L319-F323 WeakPolarHBondContact O-CD2 3.33Å; L319-F323 PolarHBondContact O-N 3.49Å; N320-F323 PolarHBondContact O-N 3.29Å; F323-Q325 PolarHBondContact O-N 3.47Å
324C42.9Very low45.6Very low90 Ų90127.6 Ų127.661%0.60865%0.647SS**SBendtrans-85.5-3.4-171.7-72.30000115.4N320 P326N320-C324 VanDerWaalsContact O-CB 3.24Å; N320-C324 WeakPolarHBondContact O-CB 3.4Å; N320-C324 PolarHBondContact O-N 3.06Å; C324-P326 WeakPolarHBondContact O-CD 3.47Å
325Q41Very low44.4Very low159 Ų159133.8 Ų133.874%0.74367%0.666SS**  trans-115.892167.8-68.2-162.62.400109.9F323 K327F323-Q325 PolarHBondContact O-N 3.47Å; Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.9Å
326P39.2Very low43.4Very low104 Ų104135.2 Ų135.268%0.67568%0.678SS**  trans-54.2110.3155.623-29.7000105.6C324 I328C324-P326 WeakPolarHBondContact O-CD 3.47Å; P326-I328 PolarHBondContact O-N 3.02Å
327K43Very low42.2Very low169 Ų169135.4 Ų135.474%0.73569%0.688SS**  trans-5795.1166.9-79.6179.1177.9176.30105.4Q325 F329Q325-K327 VanDerWaalsContact C-N 3.34Å; Q325-K327 PolarHBondContact O-N 2.9Å; K327-F329 HydrophobicContact CB-CD2 4.45Å; K327-F329 HydrophobicContact CB-CE2 4.27Å; K327-F329 WeakPolarHBondContact O-CD2 3.16Å; K327-F329 PolarHBondContact O-N 2.92Å
328I39.7Very low40.9Very low140 Ų140132.9 Ų132.972%0.71869%0.687SS**  trans-62.896.1164.8-59.8172.6000102.3P326 T330P326-I328 PolarHBondContact O-N 3.02Å; I328-T330 HydrophobicContact CG2-CG2 4.2Å; I328-T330 PolarHBondContact O-N 2.88Å
329F39.2Very low39.7Very low185 Ų185132.9 Ų132.981%0.81170%0.699SS**  trans-61.490.6164.2-76-87.4000104.8K327 S331K327-F329 HydrophobicContact CB-CD2 4.45Å; K327-F329 HydrophobicContact CB-CE2 4.27Å; K327-F329 WeakPolarHBondContact O-CD2 3.16Å; K327-F329 PolarHBondContact O-N 2.92Å; F329-S331 PolarHBondContact O-N 2.87Å
330T38.8Very low38.7Very low111 Ų111136.9 Ų136.968%0.68171%0.713SS**  trans-62.997.1160.248.90000104I328 E332I328-T330 HydrophobicContact CG2-CG2 4.2Å; I328-T330 PolarHBondContact O-N 2.88Å; T330-E332 PolarHBondContact O-N 2.95Å
331S39Very low37.6Very low106 Ų106142.5 Ų142.574%0.74173%0.734SS**  trans-57.997.4164.554.40000105.3F329 S333F329-S331 PolarHBondContact O-N 2.87Å; S331-S333 PolarHBondContact O-N 3.03Å
332E34.1Very low36.5Very low153 Ų153144.3 Ų144.372%0.71574%0.739SS**  trans-60.394.1161-84.6-175.7152.200105.2T330 H334T330-E332 PolarHBondContact O-N 2.95Å; E332-H334 PolarHBondContact O-N 3.42Å
333S35.2Very low35.7Very low98 Ų98148.5 Ų148.569%0.68575%0.748SS**  trans-64.185.7169.554.90000106S331 K335S331-S333 PolarHBondContact O-N 3.03Å; S333-K335 VanDerWaalsContact C-N 3.3Å; S333-K335 PolarHBondContact O-N 3.02Å
334H31.8Very low34.8Very low145 Ų145147 Ų14767%0.67175%0.752SS**  trans-56.6103.7163.9-68.5-63.2000106.3E332 T336E332-H334 PolarHBondContact O-N 3.42Å; H334-T336 PolarHBondContact O-N 3.17Å; H334-T336 PolarHBondContact O-OG1 2.82Å
335K32Very low34.2Very low193 Ų193146.2 Ų146.284%0.83976%0.76SS**  trans-60.477.6168.2-78.4178175.1174.90107.9S333 T337S333-K335 VanDerWaalsContact C-N 3.3Å; S333-K335 PolarHBondContact O-N 3.02Å; K335-T337 PolarHBondContact O-N 2.92Å
336T32.3Very low33.6Very low113 Ų113143.8 Ų143.869%0.69376%0.756SS**  trans-85.995.6163.839.40000106H334 N338H334-T336 PolarHBondContact O-N 3.17Å; H334-T336 PolarHBondContact O-OG1 2.82Å; T336-N338 PolarHBondContact O-N 2.76Å
337T30.3Very low33.3Very low125 Ų125147.8 Ų147.877%0.76776%0.762SS**  trans-65.470.3167.948.10000109.2K335K335-T337 PolarHBondContact O-N 2.92Å
338N30Very low32.8Very low128 Ų128145.7 Ų145.768%0.68476%0.759SS**  trans-101.789.6170.2-90.1-12.9000108.9T336 F340T336-N338 PolarHBondContact O-N 2.76Å; N338-F340 HydrophobicContact CB-CD2 4.47Å; N338-F340 PolarHBondContact O-N 2.95Å
339S28.9Very low32.6Very low112 Ų112148.2 Ų148.278%0.78377%0.766SS**  trans-66.468.3167.846.40000111.4
340F31.4Very low32.4Very low182 Ų182143.7 Ų143.780%0.79876%0.757SS**  trans-104.193.3167.6-82-81.6000111.3N338N338-F340 HydrophobicContact CB-CD2 4.47Å; N338-F340 PolarHBondContact O-N 2.95Å
341K30.3Very low32.3Very low196 Ų196148.2 Ų148.285%0.85277%0.767SS**  trans9.8113.3158.3-73.1176175.9175.30117.3R343K341-R343 PolarHBondContact O-N 2.98Å; K341-R343 VanDerWaalsContact O-N 3.11Å
342K29.8Very low31.9Very low200 Ų200151.7 Ų151.787%0.8777%0.769SS**  trans-38.7109.3155.6-67.9175.2176.8177.70111.2
343R30.6Very low32Very low249 Ų249153 Ų15394%0.9477%0.772SS**  trans-93.699.1154.5-123178178.5172.8-0.8106.6K341 G345K341-R343 PolarHBondContact O-N 2.98Å; K341-R343 VanDerWaalsContact O-N 3.11Å; R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 2.99Å
344T31.9Very low31.8Very low128 Ų128155.3 Ų155.379%0.78578%0.777SS**  trans-64.885.4169.740.90000109
345G29.1Very low31.7Very low75 Ų75157.9 Ų157.977%0.77378%0.782SS**  trans-10174.9170.500000109.8R343 K347R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 2.99Å; G345-K347 PolarHBondContact O-N 3.31Å
346V28.3Very low31.7Very low107 Ų107156 Ų15665%0.64878%0.781SS**  trans-72.8115.5170.2177.20000107.9D348V346-D348 WeakPolarHBondContact CG1-OD2 3.41Å
347K34.6Very low31.8Very low188 Ų188156.6 Ų156.682%0.81778%0.784SS**  trans-136.990.9150.7-83.1-165177.5179.80108.6G345 F349G345-K347 PolarHBondContact O-N 3.31Å; K347-F349 PolarHBondContact O-N 3.19Å
348D30.7Very low32Very low126 Ų126156.9 Ų156.967%0.67478%0.781SS**  trans-54.9113.7167.8-70.4-56.2000110.9V346V346-D348 WeakPolarHBondContact CG1-OD2 3.41Å
349F35.9Very low32Very low193 Ų193154.3 Ų154.385%0.84679%0.785SS**  trans-108.967.2155.2-80.3-77.6000108.7K347 K351K347-F349 PolarHBondContact O-N 3.19Å; F349-K351 PolarHBondContact O-N 2.95Å
350S36Very low32.2Very low90 Ų90155.9 Ų155.963%0.62979%0.785SS**  trans-83.384.1170.453.40000110.1K352S350-K352 PolarHBondContact O-N 3.42Å
351K35.4Very low32.2Very low206 Ų206155.4 Ų155.490%0.89679%0.79SS**  trans-82.990.7158.5-82.2-172.1179178.50108.9F349 K353F349-K351 PolarHBondContact O-N 2.95Å; K351-K353 PolarHBondContact O-N 3.15Å
352K31.9Very low32.3Very low179 Ų179154.9 Ų154.978%0.77879%0.787SS**  trans-49.5121.1166-73.5175.1174.6174.90110.5S350S350-K352 PolarHBondContact O-N 3.42Å
353K35Very low32.4Very low180 Ų180155.2 Ų155.278%0.78379%0.789SS**  trans-123.5102.6144.5-82.4-165.4175.7-176.20107.6K351 Y355K351-K353 PolarHBondContact O-N 3.15Å; K353-Y355 PolarHBondContact O-N 2.95Å
354N31.5Very low32.4Very low146 Ų146149.1 Ų149.178%0.78178%0.784SS**  trans-62.6110.8169.6-79.8-14.4000108.4
355Y30.8Very low32.3Very low200 Ų200149.6 Ų149.678%0.78478%0.78SS**  trans-97.7108.2150.7-76.8-77.9000107.2K353 V357K353-Y355 PolarHBondContact O-N 2.95Å; Y355-V357 PolarHBondContact O-N 3.13Å
356N31.8Very low32.4Very low152 Ų152151.3 Ų151.381%0.81378%0.776SS**  trans-72.592.9172.3-163.523.2000106.8
357V34.5Very low32.5Very low126 Ų126154 Ų15476%0.76479%0.786SS**  trans-114.3100.4167.5-176.90000107Y355 G359Y355-V357 PolarHBondContact O-N 3.13Å; V357-G359 PolarHBondContact O-N 2.88Å
358D32.8Very low32.2Very low131 Ų131153.5 Ų153.570%0.70179%0.787SS**  trans-6.995.6165.9-65.3-47.8000116.8N360D358-N360 PolarHBondContact O-N 2.95Å
359G30.3Very low32.1Very low75 Ų75156.8 Ų156.877%0.77380%0.798SS**  51.9-16.9101.500000122.6V357V357-G359 PolarHBondContact O-N 2.88Å
360N32.6Very low31.8Very low144 Ų144157 Ų15777%0.7780%0.799SS**  trans-111.528.8-162.8-82.1-12.9000116.5D358D358-N360 PolarHBondContact O-N 2.95Å
361L32Very low31.5Very low173 Ų173156.8 Ų156.891%0.90680%0.797SS**SBendtrans-144.830170.4-109.9132.6000115
362K32.7Very low31.1Very low184 Ų184155.7 Ų155.780%0.880%0.795SS**  trans-122.756168.7-75.6-170.9177.2-179.50112
363K31.6Very low30.9Very low207 Ų207152.4 Ų152.490%0.980%0.795SS**  trans-145.168.3157.3-79.8-168.3179.8177.90109.6
364S31.6Very low30.6Very low121 Ų121148 Ų14885%0.84679%0.792SS**  trans-153.958.1152-1750000106.8
365I29.7Very low30.3Very low138 Ų138151.2 Ų151.271%0.70880%0.795SS**  trans-94.9117.2168.8-70.8176.6000104.5
366V29.8Very low30.2Very low112 Ų112145.9 Ų145.968%0.67979%0.786SS**  trans71.686.7151.4-176.90000114.8
367D30.3Very low30.3Very low162 Ų162144.4 Ų144.487%0.86679%0.785SS**SBendtrans-156.877.4144-92.4-28.7000107.5
368E29Very low30.3Very low179 Ų179146.7 Ų146.784%0.83679%0.788SS**  trans16757.5150.5-94-179.8168.400109.5
369Q27.9Very low30.3Very low194 Ų194148 Ų14891%0.90779%0.794SS**  trans-9266.5147.1-75.6-164.6-12.800107.8S371Q369-S371 PolarHBondContact O-N 2.93Å
370K30.4Very low30.4Very low197 Ų197151.7 Ų151.786%0.85780%0.796SS**  trans-85.895157-95.4-178.9178.5174.40107.4
371S29.5Very low30.1Very low86 Ų86150.2 Ų150.260%0.60180%0.795SS**  trans-38.1144.3158.246.80000113.7Q369Q369-S371 PolarHBondContact O-N 2.93Å
372H27.4Very low29.8Very low184 Ų184153 Ų15385%0.85279%0.794SS**  trans92.594.8160.9-52.2-57.3000117.9
373S27.8Very low29.5Very low110 Ų110149.8 Ų149.877%0.76979%0.794SS**  -165105.5111.9-172.70000109.3
374A28.4Very low29.5Very low87 Ų87145.4 Ų145.472%0.71979%0.787SS**  trans-86.4145.1157.200000106.8
375Y26Very low29.5Very low214 Ų214145.9 Ų145.984%0.83979%0.785SS**  trans84.6130.2-170.1-68.3-100.1000113.8
376S28.8Very low29.5Very low87 Ų87148.7 Ų148.761%0.60880%0.795SS**  cis-151.7139.627.2-171.70000110.5E378S376-E378 PolarHBondContact O-N 3.41Å
377P33.5Very low29.5Very low122 Ų122152.3 Ų152.379%0.79280%0.801SS**  trans-85.187.3169.932.6-27000109.6
378E34.6Very low29.3Very low174 Ų174149.5 Ų149.581%0.81379%0.79SS**  trans-89119.3166.6-80.4-172.8171.300110.5S376 D380S376-E378 PolarHBondContact O-N 3.41Å; E378-D380 PolarHBondContact O-N 3.07Å
379L32.5Very low29.3Very low159 Ų159151.3 Ų151.383%0.83280%0.795SS**  trans-56.3114171.2-65.2151.8000110.5
380D31.3Very low29.3Very low151 Ų151151.2 Ų151.281%0.80779%0.792SS**  trans-108.970.5167-152.62.1000110.6E378E378-D380 PolarHBondContact O-N 3.07Å
381C26.9Very low29.2Very low113 Ų113150.8 Ų150.876%0.76479%0.793SS**  trans-103.562.8172.2-53.20000109.4
382R25.8Very low29.2Very low232 Ų232155.6 Ų155.688%0.87581%0.806SS**  trans-137.194168.9-89-171.9173-170.2-0.6111.8
383S27.4Very low29.3Very low116 Ų116153.4 Ų153.481%0.81181%0.805SS**PPolyproline II helixtrans-89.6143.3155.5-166.70000109.3
384P31.7Very low29.4Very low115 Ų115157.2 Ų157.275%0.74781%0.808SS**PPolyproline II helixtrans-81.1136.3-149.5-9.326.2000113.8E386P384-E386 PolarHBondContact O-N 3.14Å
385V30.1Very low29.4Very low132 Ų132158.3 Ų158.380%0.881%0.805SS**PPolyproline II helixtrans-66118.1161.2177.60000108.1K387V385-K387 PolarHBondContact O-N 2.88Å; V385-K387 VanDerWaalsContact O-N 3.08Å
386E30.3Very low29.7Very low196 Ų196155.3 Ų155.392%0.91680%0.802SS**  trans-52.9114.9169.9-85.5-177.8148.500109.8P384P384-E386 PolarHBondContact O-N 3.14Å
387K29.7Very low29.8Very low188 Ų188157.3 Ų157.382%0.81781%0.806SS**  trans-82.2130.5178.6-90.6-178.3-179.5176.60109.8V385V385-K387 PolarHBondContact O-N 2.88Å; V385-K387 VanDerWaalsContact O-N 3.08Å
388V26.3Very low29.4Very low104 Ų104158.4 Ų158.463%0.6381%0.805SS**  trans76.3105.3133.7-175.40000116.7K390V388-K390 HydrophobicContact CG1-CB 4.29Å
389K30.1Very low29.1Very low217 Ų217160 Ų16094%0.94381%0.805SS**  -121.5100.6124.3-73.6-171.5177.7-177.60108.2
390K27.7Very low28.8Very low191 Ų191160.1 Ų160.183%0.8380%0.801SS**  trans-108100.1168-83.9-174.7174.1-176.80106.9V388V388-K390 HydrophobicContact CG1-CB 4.29Å
391E28.3Very low28.8Very low189 Ų189158.3 Ų158.388%0.88379%0.791SS**  trans-152.6122.7162.7-91.6174.2167.200101.4
392E29.6Very low28.8Very low186 Ų186159.7 Ų159.787%0.86979%0.79SS**  cis-145.3135.524.3-64.7173.7131.200108.4
393V28.7Very low28.9Very low139 Ų139156.1 Ų156.184%0.84278%0.784SS**  trans-92.3110.4166.9169.30000106.3V395V393-V395 HydrophobicContact CG1-CG2 3.83Å
394K30.8Very low28.8Very low190 Ų190158 Ų15883%0.82679%0.785SS**  trans-114.696167.4-143.2174.9-172.2177.30108.9
395V28.1Very low28.6Very low109 Ų109159.2 Ų159.266%0.66178%0.784SS**  trans-75.4118.8168.41730000107.6V393V393-V395 HydrophobicContact CG1-CG2 3.83Å
396I32.7Very low28.4Very low151 Ų151159.3 Ų159.377%0.77479%0.785SS**  trans-132.3130.7156.1-62.8-177.9000107.6
397N29.1Very low28.3Very low130 Ų130158.6 Ų158.670%0.69578%0.779SS**  trans-66.2154.4-162.1-69.3-32.8000115.8Y399N397-Y399 PolarHBondContact O-N 2.95Å
398D26.7Very low28Very low144 Ų144158.5 Ų158.577%0.7778%0.781SS**  trans-40.7121.8156.6-60.1-52.6000113
399Y27.4Very low28.2Very low208 Ų208161 Ų16182%0.81679%0.791SS**  trans-120.485.7154.2-116.9-94.1000107.9N397 I401N397-Y399 PolarHBondContact O-N 2.95Å; Y399-I401 HydrophobicContact CD1-CD1 3.79Å; Y399-I401 HydrophobicContact CD1-CG1 4.03Å; Y399-I401 HydrophobicContact CE1-CD1 3.76Å; Y399-I401 HydrophobicContact CE1-CG1 4.38Å; Y399-I401 PolarHBondContact O-N 3.26Å
400H27.1Very low28Very low161 Ų161157.9 Ų157.975%0.74579%0.785SS**  trans-72.4101.4160.2-98.8-73.8000108.4
401I30.3Very low27.9Very low114 Ų114154.7 Ų154.759%0.58579%0.785SS**  trans-124.3101.9156-66.5179.7000107.6Y399 Q403Y399-I401 HydrophobicContact CD1-CD1 3.79Å; Y399-I401 HydrophobicContact CD1-CG1 4.03Å; Y399-I401 HydrophobicContact CE1-CD1 3.76Å; Y399-I401 HydrophobicContact CE1-CG1 4.38Å; Y399-I401 PolarHBondContact O-N 3.26Å; I401-Q403 HydrophobicContact CG2-CG 4.19Å; I401-Q403 PolarHBondContact O-N 3.41Å
402N26.5Very low27.7Very low142 Ų142155 Ų15576%0.75978%0.784SS**  trans-66.8112.5160.3-72.1-41.6000108.4
403Q28.3Very low27.7Very low157 Ų157151.2 Ų151.273%0.73478%0.777SS**  trans-130.4100.5152.1-79-16027.300109.1I401 L405I401-Q403 HydrophobicContact CG2-CG 4.19Å; I401-Q403 PolarHBondContact O-N 3.41Å; Q403-L405 PolarHBondContact O-N 3.2Å
404N26.2Very low27.7Very low156 Ų156150.2 Ų150.283%0.83477%0.774SS**  trans-60.8106.3157.7-77.1-41.8000107.9
405L27.4Very low27.8Very low139 Ų139148.5 Ų148.573%0.72877%0.772SS**  trans-111.884.8164.7-136.283.1000108.8Q403 K407Q403-L405 PolarHBondContact O-N 3.2Å; L405-K407 PolarHBondContact O-N 2.99Å
406T25.1Very low27.8Very low135 Ų135149 Ų14983%0.82878%0.775SS**  trans-74.497.5165.5-15.20000107.7
407K28.9Very low27.8Very low180 Ų180150.2 Ų150.278%0.78378%0.778SS**  trans-137.7107.2159.9-76.1-167.5177.9-178.30109.5L405L405-K407 PolarHBondContact O-N 2.99Å
408Q22Very low27.9Very low187 Ų187150.1 Ų150.187%0.87478%0.782SS**  trans-51.1131.2151.5-74.5171.5-30.200108.3
409D30.6Very low28Very low155 Ų155150.8 Ų150.883%0.82979%0.786SS**  trans-158.2130.8141.9-95.1-34.6000110.4
410N26.9Very low28.1Very low153 Ų153143.3 Ų143.382%0.81877%0.772SS**  trans-52.1138170.2-71.9-51.9000111.1
411C26.2Very low28.3Very low123 Ų123147.1 Ų147.183%0.83178%0.78SS**  170.9128.8118.3-86.30000112.4
412K23.9Very low28.5Very low196 Ų196149.8 Ų149.885%0.85279%0.79SS**  trans-10.4125.9159.6-68.4169.3175.2176.70116.9
413S28.5Very low29Very low106 Ų106148 Ų14874%0.74179%0.788SS**  trans-137115.3135.5-77.10000108I415S413-I415 PolarHBondContact O-N 2.9Å; S413-I415 VanDerWaalsContact O-N 3.11Å
414P30.1Very low29.2Very low119 Ų119146.2 Ų146.277%0.77379%0.788SS**  trans-71.4103.9173.427.9-28.6000107.8T416P414-T416 PolarHBondContact O-N 3.4Å
415I31.8Very low29.5Very low154 Ų154146.4 Ų146.479%0.7978%0.784SS**  trans-74.8110.1172.7-55.5173.9000106.2S413 E417S413-I415 PolarHBondContact O-N 2.9Å; S413-I415 VanDerWaalsContact O-N 3.11Å; I415-E417 PolarHBondContact O-N 3.37Å; I415-E417 VanDerWaalsContact O-N 3.12Å
416T28.8Very low29.8Very low118 Ų118150.5 Ų150.572%0.72479%0.79SS**  trans-57.9110.6173.5-450000108.7P414 T418P414-T416 PolarHBondContact O-N 3.4Å; T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact O-N 3.1Å
417E31.5Very low30.4Very low178 Ų178152.9 Ų152.983%0.83279%0.789SS**  trans-63.396.9169.4-71.6-176.2171.700108.2I415 N419I415-E417 PolarHBondContact O-N 3.37Å; I415-E417 VanDerWaalsContact O-N 3.12Å; E417-N419 PolarHBondContact O-N 2.98Å
418T30.9Very low30.9Very low128 Ų128154 Ų15479%0.78579%0.794SS**  trans-71.4116.5166.837.90000106.8T416 G420T416-T418 VanDerWaalsContact C-N 3.33Å; T416-T418 PolarHBondContact O-N 3.1Å; T418-G420 PolarHBondContact O-N 2.97Å
419N29.8Very low31.6Very low157 Ų157151.4 Ų151.484%0.8479%0.791SS**  trans-59.672170.9-83.6-45.4000110.7E417 R421E417-N419 PolarHBondContact O-N 2.98Å; N419-R421 VanDerWaalsContact C-N 3.28Å; N419-R421 PolarHBondContact O-N 3.25Å
420G29.8Very low31.8Very low52 Ų52152.6 Ų152.654%0.53679%0.792SS.*  trans-73.784.8166.300000108.2T418 H422T418-G420 PolarHBondContact O-N 2.97Å; G420-H422 PolarHBondContact O-CD2 3.15Å; G420-H422 PolarHBondContact O-N 3.4Å
421R30.6Very low32.2Very low241 Ų241149 Ų14991%0.90978%0.779SS**  trans-6190162.7-75.7-177.3179.31720.5107.3N419 S423N419-R421 VanDerWaalsContact C-N 3.28Å; N419-R421 PolarHBondContact O-N 3.25Å; R421-S423 PolarHBondContact O-N 3Å
422H35.2Very low33.1Very low170 Ų170148.9 Ų148.979%0.78778%0.776SS**  trans-64.296.1164.3-70.4-71.3000106.6G420 T424G420-H422 PolarHBondContact O-CD2 3.15Å; G420-H422 PolarHBondContact O-N 3.4Å; H422-T424 PolarHBondContact O-N 2.76Å
423S37.2Very low33.7Very low103 Ų103150.1 Ų150.172%0.7278%0.776SS**  trans-62.789164.3177.90000106.7R421 Q425R421-S423 PolarHBondContact O-N 3Å; S423-Q425 PolarHBondContact O-N 2.84Å
424T31.5Very low33.8Very low120 Ų120147 Ų14774%0.73676%0.761SS**  trans-71.482.3167.9-49.20000106.3H422 R426H422-T424 PolarHBondContact O-N 2.76Å; T424-R426 PolarHBondContact O-N 2.85Å
425Q32.5Very low34.2Very low160 Ų160147.4 Ų147.475%0.74876%0.763SS**  trans-58.496.6161.1-91-175.1-18.200106.7S423 K427S423-Q425 PolarHBondContact O-N 2.84Å; Q425-K427 VanDerWaalsContact C-N 3.25Å; Q425-K427 PolarHBondContact O-N 3.37Å
426R34.3Very low34.3Very low226 Ų226147.3 Ų147.385%0.85376%0.763SS**  trans-60.697.9160-95.1-177.7177.4165.7-0.7105.9T424 F428T424-R426 PolarHBondContact O-N 2.85Å; R426-F428 PolarHBondContact O-N 3.25Å; R426-F428 VanDerWaalsContact O-N 3.14Å
427K37.1Very low34.6Very low184 Ų184146.4 Ų146.480%0.876%0.762SS**  trans-58.1117.3165-70.4-174.9178.2-177.70106.1Q425 T429Q425-K427 VanDerWaalsContact C-N 3.25Å; Q425-K427 PolarHBondContact O-N 3.37Å; K427-T429 PolarHBondContact O-N 2.96Å
428F39.6Very low34.7Very low203 Ų203143.8 Ų143.889%0.8976%0.757SS**  trans-54.2112.9169.2-72.2-90.6000107R426 E430R426-F428 PolarHBondContact O-N 3.25Å; R426-F428 VanDerWaalsContact O-N 3.14Å; F428-E430 PolarHBondContact O-N 3.49Å
429T37Very low34.8Very low134 Ų134146.1 Ų146.182%0.82276%0.759SS**  trans-60.2127.2168.243.70000107.3K427 S431K427-T429 PolarHBondContact O-N 2.96Å; T429-S431 PolarHBondContact O-N 3.2Å
430E34.6Very low34.8Very low180 Ų180146.9 Ų146.984%0.84176%0.758SS**  trans-44.7137.5177.7-74.8171.8143.600111.2F428F428-E430 PolarHBondContact O-N 3.49Å
431S35.6Very low34.8Very low77 Ų77149.1 Ų149.154%0.53877%0.772SS.*  trans-54.2136.4176.7-170.10000109.8T429 W433 G434T429-S431 PolarHBondContact O-N 3.2Å; S431-W433 PolarHBondContact O-N 3.4Å; S431-G434 PolarHBondContact O-N 2.92Å; S431-G434 VanDerWaalsContact O-N 3.1Å
432P44.1Very low34.8Very low121 Ų121146.6 Ų146.679%0.78677%0.767SS**THydrogen-bonded Turntrans-60.6-5.7-17821.9-31.9000114.4
433W36.8Very low34.6Very low221 Ų221147.7 Ų147.784%0.83777%0.769SS**THydrogen-bonded Turntrans-93.81.9179.4-58.5104.6000114.6S431S431-W433 PolarHBondContact O-N 3.4Å
434G31.5Very low34.3Very low42 Ų42151.1 Ų151.143%0.43378%0.779SS.*  trans63.4169.8176.400000114.1S431 I436S431-G434 PolarHBondContact O-N 2.92Å; S431-G434 VanDerWaalsContact O-N 3.1Å; G434-I436 PolarHBondContact O-N 3.35Å
435P38.2Very low34.1Very low127 Ų127150.5 Ų150.583%0.82578%0.775SS**  trans-70.3116.317826-31.1000110.7S437P435-S437 PolarHBondContact O-N 2.96Å; P435-S437 VanDerWaalsContact O-N 3.07Å
436I33.9Very low34Very low151 Ų151151.3 Ų151.377%0.77478%0.776SS**  trans-70.1101.4171.6-60.6168.7000107.9G434 V438G434-I436 PolarHBondContact O-N 3.35Å; I436-V438 PolarHBondContact O-N 3.49Å
437S35.9Very low33.8Very low100 Ų100148.8 Ų148.870%0.69978%0.779SS**  trans-75.3112.8170.769.80000109.6P435 Q439P435-S437 PolarHBondContact O-N 2.96Å; P435-S437 VanDerWaalsContact O-N 3.07Å; S437-Q439 PolarHBondContact O-N 2.92Å; S437-Q439 VanDerWaalsContact O-N 3.13Å
438V33.1Very low33.2Very low123 Ų123150.7 Ų150.775%0.74578%0.783SS**  trans-78.194.2172.9-176.10000107.2I436 Q440I436-V438 PolarHBondContact O-N 3.49Å; V438-Q440 PolarHBondContact O-N 3.44Å
439Q32.6Very low32.7Very low177 Ų177148.5 Ų148.583%0.82778%0.781SS**  trans-63.4105.9168-77.5-174.1-4.500107.9S437 A441S437-Q439 PolarHBondContact O-N 2.92Å; S437-Q439 VanDerWaalsContact O-N 3.13Å; Q439-A441 PolarHBondContact O-N 2.94Å
440Q29.6Very low32.3Very low172 Ų172151 Ų15180%0.80478%0.783SS**  trans-59.4105.5167.7-72.1-176.8-3.700107.4V438 K442V438-Q440 PolarHBondContact O-N 3.44Å; Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 3.44Å
441A29.7Very low31.6Very low100 Ų100148.8 Ų148.883%0.82679%0.786SS**  trans-60.392.3171.200000108.1Q439 K443Q439-A441 PolarHBondContact O-N 2.94Å; A441-K443 PolarHBondContact O-N 3.45Å; A441-K443 VanDerWaalsContact O-N 3.14Å
442K31.2Very low31.5Very low187 Ų187150.7 Ų150.781%0.81380%0.797SS**  trans-59.5118.2169.9-78.6-176.7176.9178.90106.9Q440 L444Q440-K442 VanDerWaalsContact C-N 3.25Å; Q440-K442 PolarHBondContact O-N 3.44Å; K442-L444 PolarHBondContact O-N 2.91Å
443K30Very low30.8Very low193 Ų193154.6 Ų154.684%0.83980%0.801SS**  trans-44.4100.5167.5-72.7172.6173.3176.90109.8A441 T445A441-K443 PolarHBondContact O-N 3.45Å; A441-K443 VanDerWaalsContact O-N 3.14Å; K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å
444L30.7Very low30.2Very low175 Ų175150.9 Ų150.992%0.91680%0.802SS**  trans-91.783.7158-89.4159.5000107K442K442-L444 PolarHBondContact O-N 2.91Å
445T29Very low30Very low107 Ų107157.2 Ų157.266%0.65683%0.825SS**  trans-66127.6164.420.40000110K443K443-T445 VanDerWaalsContact C-N 3.33Å; K443-T445 PolarHBondContact O-N 3.17Å
446K29.7Very low29.4Very low178 Ų178154.1 Ų154.177%0.77482%0.817SS**  trans59.5106.5147.1-60.1-177.7178.3-175.20117.3
447D30Very low29Very low172 Ų172155.5 Ų155.592%0.9282%0.82SS**  trans-150.375134.2-85.7-32.6000107.7
448Y24.8Very low28.4Very low225 Ų225156.9 Ų156.988%0.88282%0.82SS**  trans-80.8102.3156.4-94.7-99.9000105.3
449D28.2Very low28Very low156 Ų156157.2 Ų157.283%0.83482%0.817SS**  trans164.275.5149.1-84-21.4000109.8
450Q28.3Very low27.7Very low188 Ų188155.5 Ų155.588%0.87981%0.814SS**  trans-162.389.7149.7-113.2164.923.100108.4P452Q450-P452 WeakPolarHBondContact O-CD 3.45Å
451C21.6Very low27.5Very low132 Ų132154.3 Ų154.389%0.89281%0.813SS**  trans-77.7108.3157.5-84.10000107.6K453C451-K453 PolarHBondContact O-N 2.87Å
452P33.6Very low27.4Very low118 Ų118161.3 Ų161.377%0.76682%0.818SS**PPolyproline II helixtrans-75.9127.1167.7-424.6000107.6Q450Q450-P452 WeakPolarHBondContact O-CD 3.45Å
453K28Very low27.1Very low202 Ų202162.4 Ų162.488%0.87882%0.823SS**PPolyproline II helixtrans-51.2138.9174.1-74.4171.4175.7174.20111.3C451 L455C451-K453 PolarHBondContact O-N 2.87Å; K453-L455 PolarHBondContact O-N 3.04Å
454V24.2Very low27Very low143 Ų143157.6 Ų157.687%0.86781%0.813SS**PPolyproline II helixtrans-47116.2168.9179.80000111.5
455L28.7Very low27Very low175 Ų175156.6 Ų156.692%0.91681%0.809SS**  trans-144106.3157.8-134.681.6000103.7K453K453-L455 PolarHBondContact O-N 3.04Å
456G23.9Very low26.9Very low63 Ų63160.3 Ų160.365%0.64982%0.819SS**  100.4115.279.400000108.9
457Q26.6Very low26.8Very low180 Ų180158.5 Ų158.584%0.84182%0.817SS**  trans80.9114.4150.3-61.6-178-23.100120.4
458N22.7Very low26.8Very low129 Ų129157.9 Ų157.969%0.6981%0.812SS**  69.4109.5124.4-73.6-15.1000120.5
459N25Very low27.2Very low130 Ų130151.7 Ų151.770%0.69580%0.797SS**  71.2123.1121.9-66.6-13.8000119.4
460N26.1Very low27.2Very low140 Ų140150.3 Ų150.375%0.74979%0.79SS**  trans100.6124.8144.9-59.6-25.7000117.2
461N25.9Very low27.3Very low148 Ų148147.5 Ų147.579%0.79178%0.781SS**  trans78.181.2155-59.6-23.2000117.2
462R26.3Very low27.8Very low246 Ų246147.7 Ų147.793%0.92877%0.773SS**  trans-150.295.2130.8-112.1167.4-170.4178.42.9111.1S464R462-S464 PolarHBondContact O-N 3.09Å
463K25.5Very low27.6Very low211 Ų211151.7 Ų151.792%0.91777%0.774SS**  trans-59.5116.9158.4-67.6174.7177.4177.20107.6
464S28.7Very low27.8Very low91 Ų91151 Ų15164%0.63677%0.771SS**  trans-159.6100.1162.7168.80000108.8R462R462-S464 PolarHBondContact O-N 3.09Å
465N29.7Very low28.2Very low154 Ų154152.8 Ų152.882%0.82477%0.768SS**  trans53.972143.3-52-18.8000115.7L467N465-L467 PolarHBondContact O-N 2.8Å; N465-L467 VanDerWaalsContact O-N 3.12Å
466H27.7Very low28.2Very low186 Ų186156.5 Ų156.586%0.86177%0.77SS**  trans-68.1110.8159.8-118.2-70.5000108.4I468H466-I468 PolarHBondContact O-N 3.13Å; H466-I468 VanDerWaalsContact O-N 3.09Å
467L27.8Very low28.5Very low140 Ų140161 Ų16173%0.73378%0.778SS**  trans-29.5108.5162.6-142.576.8000110.1N465 T469N465-L467 PolarHBondContact O-N 2.8Å; N465-L467 VanDerWaalsContact O-N 3.12Å; L467-T469 PolarHBondContact O-N 2.8Å
468I30Very low28.6Very low159 Ų159161.3 Ų161.382%0.81578%0.777SS**  trans-70.889.7167.2-62.4171.4000105H466 N470H466-I468 PolarHBondContact O-N 3.13Å; H466-I468 VanDerWaalsContact O-N 3.09Å; I468-N470 PolarHBondContact O-N 3.33Å
469T31.7Very low28.8Very low94 Ų94160.7 Ų160.758%0.57778%0.782SS**  trans-63.9118.4166.314.90000106.4L467 D471L467-T469 PolarHBondContact O-N 2.8Å; T469-D471 PolarHBondContact O-N 2.86Å
470N29.1Very low28.9Very low127 Ų127160.5 Ų160.568%0.67979%0.791SS**  trans-77.770-171.5-140.3-10.3000108.8I468 N472I468-N470 PolarHBondContact O-N 3.33Å; N470-N472 PolarHBondContact O-N 2.85Å
471D30.8Very low28.9Very low130 Ų130164 Ų16470%0.69580%0.8SS**THydrogen-bonded Turntrans-73.312.8-174-84.4-12.7000114.6T469T469-D471 PolarHBondContact O-N 2.86Å
472N31.7Very low28.9Very low135 Ų135162.4 Ų162.472%0.72280%0.8SS**THydrogen-bonded Turntrans-92.60.9-172.3-93.4-13.7000116.5N470N470-N472 PolarHBondContact O-N 2.85Å
473Y28.9Very low28.9Very low202 Ų202155.8 Ų155.879%0.79279%0.792SS**SBendtrans-93.7-11.9177.4-80-80.2000115.4
474F32.5Very low29Very low187 Ų187154.1 Ų154.182%0.8279%0.789SS**SBendtrans-96-7.6-176.7-109.5-83.3000115.8
475K33.1Very low28.9Very low181 Ų181153.8 Ų153.879%0.78779%0.787SS**SBendtrans-86.2-8-178.9-82.1-173.6178.1175.80115.4
476W28.6Very low28.8Very low254 Ų254153.3 Ų153.396%0.96278%0.784SS**THydrogen-bonded Turntrans-89.9-6.6-176.1-12240.8000115.7
477L30.6Very low28.8Very low157 Ų157150.8 Ų150.882%0.82278%0.777SS**THydrogen-bonded Turntrans-99.73.3-177.1-89.4162000115.8
478K28Very low28.8Very low187 Ų187150.9 Ų150.981%0.81378%0.778SS**SBendtrans-133.567.1-178.4-70.7-172.9179.1179.60113.1
479S26.8Very low28.7Very low115 Ų115151.5 Ų151.580%0.80478%0.782SS**  trans-169.175.3160.5-780000111.8
480S27.4Very low28.6Very low126 Ų126153.7 Ų153.788%0.88179%0.79SS**  trans-163.262.5156.7-790000109.4
481K25.8Very low28.5Very low214 Ų214157.2 Ų157.293%0.9380%0.8SS**  trans-106.668.4159.6-137.2176.9-170.8176.10105.4S483K481-S483 PolarHBondContact O-N 3.46Å
482S27.1Very low28.5Very low114 Ų114159.3 Ų159.380%0.79781%0.81SS**  trans-74.4115.4166.660.60000106.4M484S482-M484 PolarHBondContact O-N 2.78Å
483S25.9Very low28.1Very low108 Ų108160.1 Ų160.176%0.75581%0.814SS**  trans-58.9121.2170.260.50000107.6K481 S485K481-S483 PolarHBondContact O-N 3.46Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.03Å
484M27.4Very low28Very low176 Ų176159 Ų15987%0.86782%0.816SS**  trans-59104.8159.9-74.4-169.371.500106.9S482 N486S482-M484 PolarHBondContact O-N 2.78Å; M484-N486 PolarHBondContact O-N 3.1Å
485S26.4Very low27.7Very low83 Ų83154 Ų15458%0.5881%0.805SS**  trans-69.6116.6166.766.10000106.5S483 N487S483-S485 VanDerWaalsContact C-N 3.35Å; S483-S485 PolarHBondContact O-N 3.03Å; S485-N487 PolarHBondContact O-N 3.32Å
486N26.8Very low27.3Very low144 Ų144153 Ų15377%0.7781%0.807SS**  trans-60.491.7164.9-71.6-21.8000107.3M484 N488M484-N486 PolarHBondContact O-N 3.1Å; N486-N488 VanDerWaalsContact C-N 3.35Å; N486-N488 PolarHBondContact O-N 3.49Å
487N28Very low27.3Very low134 Ų134150.6 Ų150.672%0.71780%0.799SS**  trans-68.4103.7163.7-77.7-13.2000105.9S485 L489S485-N487 PolarHBondContact O-N 3.32Å; N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 2.97Å
488N27.4Very low27Very low141 Ų141151.6 Ų151.675%0.75480%0.799SS**  trans-53.898.5164.1-68.2-39.9000107.5N486 D490N486-N488 VanDerWaalsContact C-N 3.35Å; N486-N488 PolarHBondContact O-N 3.49Å; N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.32Å; N488-D490 VanDerWaalsContact O-N 3.11Å
489L29.1Very low26.9Very low173 Ų173148.3 Ų148.391%0.90680%0.795SS**  trans-74.999.2164.6-109.8151.9000105.8N487N487-L489 VanDerWaalsContact C-N 3.32Å; N487-L489 PolarHBondContact O-N 2.97Å
490D29Very low26.9Very low139 Ų139149.6 Ų149.674%0.74379%0.793SS**  trans-50.2140178.5-83.3-47.4000111.8N488 L492N488-D490 VanDerWaalsContact C-N 3.33Å; N488-D490 PolarHBondContact O-N 3.32Å; N488-D490 VanDerWaalsContact O-N 3.11Å; D490-L492 PolarHBondContact O-N 2.89Å
491K27.4Very low26.8Very low201 Ų201151.6 Ų151.687%0.87479%0.793SS**  trans-46.395.3170.5-68.7166.8173.4175.40111.1N493K491-N493 VanDerWaalsContact C-N 3.31Å; K491-N493 PolarHBondContact O-N 3.46Å
492L30.4Very low26.9Very low174 Ų174147.1 Ų147.191%0.91178%0.784SS**  trans-80.392.3155.1-80.7172000107.7D490D490-L492 PolarHBondContact O-N 2.89Å
493N24Very low27Very low152 Ų152147 Ų14781%0.81378%0.778SS**  trans-94.296.1177-163.533.5000106.2K491K491-N493 VanDerWaalsContact C-N 3.31Å; K491-N493 PolarHBondContact O-N 3.46Å
494E27.1Very low27Very low179 Ų179149.8 Ų149.884%0.83679%0.785SS**  trans-146.6112.3170.1-128.8169.2-162.100114.2
495S26.5Very low27.1Very low83 Ų83150.3 Ų150.358%0.5878%0.782SS**  trans52.2101.8149.767.60000119.8Y497S495-Y497 PolarHBondContact O-N 3.43Å; S495-Y497 VanDerWaalsContact O-N 3.15Å
496I24.2Very low27.1Very low160 Ų160156 Ų15682%0.82180%0.797SS**  trans-55.4102147.4-59.6161.4000108.4
497Y27.9Very low27.2Very low203 Ų203153.8 Ų153.880%0.79679%0.793SS**  trans-111.3103.6157.3-84.5-76.2000108.7S495 T499S495-Y497 PolarHBondContact O-N 3.43Å; S495-Y497 VanDerWaalsContact O-N 3.15Å; Y497-T499 PolarHBondContact O-N 3.23Å
498Q24Very low27.2Very low177 Ų177154.7 Ų154.783%0.82780%0.797SS**  trans-60.5123.8160.3-74.4170-14.800108.8
499T26.8Very low27.3Very low118 Ų118155.8 Ų155.872%0.72480%0.802SS**  trans-154.4104.6153.610.90000110.1Y497Y497-T499 PolarHBondContact O-N 3.23Å
500N26.8Very low27.3Very low143 Ų143152 Ų15277%0.76579%0.79SS**  trans52.2117137-57.2-18.2000120.5V502N500-V502 PolarHBondContact O-N 2.87Å
501D24.2Very low27.1Very low167 Ų167152.4 Ų152.489%0.89379%0.792SS**  trans-34.3107.1155.5-64.4-50000114.1
502V29.9Very low27.2Very low120 Ų120149.6 Ų149.673%0.72778%0.782SS**  trans-147.7101.6158.9-173.50000111.2N500N500-V502 PolarHBondContact O-N 2.87Å
503T27.6Very low27.1Very low112 Ų112150.9 Ų150.969%0.68778%0.775SS**  trans65.5122.8148.160.60000121.1K505T503-K505 PolarHBondContact O-N 3.32Å
504D26.5Very low27.4Very low167 Ų167153.3 Ų153.389%0.89377%0.774SS**  trans-44.891.5160.3-60.9-54.2000113.2
505K29.4Very low27.4Very low187 Ų187153.5 Ų153.581%0.81377%0.773SS**  trans-94.3101.9157.4-78-173.5178.9177.20108.5T503 S507T503-K505 PolarHBondContact O-N 3.32Å; K505-S507 PolarHBondContact O-N 3.49Å
506K26.7Very low27.4Very low202 Ų202154.5 Ų154.588%0.87878%0.78SS**  trans-51.985.5160.1-77.4175.4172.9175.10109.6
507S28.7Very low27.6Very low98 Ų98155 Ų15569%0.68578%0.778SS**  trans-86.4110.1161.255.40000107.3K505 L509K505-S507 PolarHBondContact O-N 3.49Å; S507-L509 PolarHBondContact O-N 3.01Å
508N27.5Very low27.6Very low152 Ų152152.9 Ų152.981%0.81378%0.78SS**  trans-51.9109.7168.2-68.2-38.7000108.4S510N508-S510 VanDerWaalsContact C-N 3.3Å; N508-S510 PolarHBondContact O-N 3.03Å
509L30.7Very low27.8Very low164 Ų164150.3 Ų150.386%0.85978%0.777SS**  trans-68.194.7168.7-76159.7000107S507 N511S507-L509 PolarHBondContact O-N 3.01Å; L509-N511 PolarHBondContact O-N 3.36Å
510S27.4Very low27.7Very low93 Ų93151.6 Ų151.665%0.6578%0.778SS**  trans-59.5116.7163.546.50000107.7N508 E512N508-S510 VanDerWaalsContact C-N 3.3Å; N508-S510 PolarHBondContact O-N 3.03Å; S510-E512 PolarHBondContact O-N 3.26Å
511N26.2Very low27.8Very low148 Ų148148.8 Ų148.879%0.79177%0.768SS**  trans-62.279.4168.9-99.3-28.6000109.2L509 R513L509-N511 PolarHBondContact O-N 3.36Å; N511-R513 PolarHBondContact O-N 3.49Å
512E28.5Very low28Very low142 Ų142148.4 Ų148.466%0.66476%0.764SS**  trans-72.987.4160.4-72-166.6171.800107.3S510 Y514S510-E512 PolarHBondContact O-N 3.26Å; E512-Y514 VanDerWaalsContact C-N 3.33Å; E512-Y514 WeakPolarHBondContact O-CD2 3.37Å; E512-Y514 PolarHBondContact O-N 3.43Å
513R29.4Very low27.7Very low201 Ų201152.2 Ų152.276%0.75877%0.767SS**  trans-63.499.5165-78-176.2-165.3165.45.5107.2N511 F515N511-R513 PolarHBondContact O-N 3.49Å; R513-F515 PolarHBondContact O-N 2.85Å
514Y28.7Very low27.6Very low204 Ų204150 Ų15080%0.876%0.756SS**  trans-58.199.6163.2-79.7-92.1000108.5E512 S516E512-Y514 VanDerWaalsContact C-N 3.33Å; E512-Y514 WeakPolarHBondContact O-CD2 3.37Å; E512-Y514 PolarHBondContact O-N 3.43Å; Y514-S516 VanDerWaalsContact C-N 3.28Å; Y514-S516 PolarHBondContact O-N 3.11Å
515F27.2Very low27.5Very low182 Ų182148.4 Ų148.480%0.79875%0.753SS**  trans-67.593.7160.8-82.3-89.7000107R513 Q517R513-F515 PolarHBondContact O-N 2.85Å; F515-Q517 PolarHBondContact O-N 3.01Å
516S27.8Very low27.5Very low104 Ų104148 Ų14873%0.72775%0.751SS**  trans-66.888.1164.452.20000107.7Y514 L518Y514-S516 VanDerWaalsContact C-N 3.28Å; Y514-S516 PolarHBondContact O-N 3.11Å; S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3Å
517Q28.8Very low27.4Very low170 Ų170143.7 Ų143.779%0.79475%0.746SS**  trans-60100.4163.7-82.1173-8.800107.1F515 T519F515-Q517 PolarHBondContact O-N 3.01Å; Q517-T519 PolarHBondContact O-N 3.28Å; Q517-T519 PolarHBondContact O-OG1 3.01Å
518L26.7Very low27.3Very low159 Ų159144.2 Ų144.283%0.83275%0.75SS**  trans-58.988167.8-80.9160.3000107.8S516 L520S516-L518 VanDerWaalsContact C-N 3.32Å; S516-L518 PolarHBondContact O-N 3Å; L518-L520 PolarHBondContact O-N 3.27Å
519T28.3Very low27.3Very low123 Ų123143 Ų14376%0.75575%0.749SS**  trans-7398.5170-54.90000106.3Q517 P521Q517-T519 PolarHBondContact O-N 3.28Å; Q517-T519 PolarHBondContact O-OG1 3.01Å; T519-P521 WeakPolarHBondContact O-CD 3.47Å
520L24.6Very low26.9Very low145 Ų145145.1 Ų145.176%0.75975%0.751SS**  trans-63.2122.6172.5-73.3166.2000108.1L518 I522L518-L520 PolarHBondContact O-N 3.27Å; L520-I522 PolarHBondContact O-N 2.7Å
521P28.7Very low26.8Very low84 Ų84145 Ų14555%0.54575%0.75SS.*  trans-63.3110.3174.621.8-28.9000109T519 Y523T519-P521 WeakPolarHBondContact O-CD 3.47Å; P521-Y523 VanDerWaalsContact C-N 3.32Å; P521-Y523 HydrophobicContact CB-CD2 4.44Å; P521-Y523 HydrophobicContact CB-CE2 4.04Å; P521-Y523 HydrophobicContact CG-CD2 4.48Å; P521-Y523 HydrophobicContact CG-CE2 3.76Å; P521-Y523 VanDerWaalsContact O-CD2 3.3Å; P521-Y523 WeakPolarHBondContact O-CD2 3.43Å; P521-Y523 PolarHBondContact O-N 2.74Å
522I28.1Very low26.7Very low159 Ų159147 Ų14782%0.81576%0.755SS**  trans-68.995.7167.9-58.4174.3000106.1L520 S524L520-I522 PolarHBondContact O-N 2.7Å; I522-S524 PolarHBondContact O-N 3.39Å
523Y24.1Very low26.6Very low200 Ų200145.2 Ų145.278%0.78475%0.753SS**  trans-69.483.9168.5-69-82.8000108.5P521 T525P521-Y523 VanDerWaalsContact C-N 3.32Å; P521-Y523 HydrophobicContact CB-CD2 4.44Å; P521-Y523 HydrophobicContact CB-CE2 4.04Å; P521-Y523 HydrophobicContact CG-CD2 4.48Å; P521-Y523 HydrophobicContact CG-CE2 3.76Å; P521-Y523 VanDerWaalsContact O-CD2 3.3Å; P521-Y523 WeakPolarHBondContact O-CD2 3.43Å; P521-Y523 PolarHBondContact O-N 2.74Å; Y523-T525 PolarHBondContact O-N 2.83Å
524S25.4Very low26.3Very low67 Ų67141.2 Ų141.247%0.46975%0.751SS.*  trans-77.1104.4161.4-171.60000107.8I522 F526I522-S524 PolarHBondContact O-N 3.39Å; S524-F526 PolarHBondContact O-N 3.38Å; S524-F526 WeakPolarHBondContact OG-CD2 3.26Å; S524-F526 WeakPolarHBondContact OG-CE2 3.5Å
525T24Very low26.2Very low133 Ų133141.4 Ų141.482%0.81675%0.752SS**  trans-64.274.816531.30000109.6Y523 S527Y523-T525 PolarHBondContact O-N 2.83Å; T525-S527 PolarHBondContact O-N 2.94Å
526F29.2Very low26.2Very low177 Ų177139.5 Ų139.578%0.77675%0.749SS**  trans-80.7102.3159.3-74.4-69.4000107.2S524 S528S524-F526 PolarHBondContact O-N 3.38Å; S524-F526 WeakPolarHBondContact OG-CD2 3.26Å; S524-F526 WeakPolarHBondContact OG-CE2 3.5Å; F526-S528 PolarHBondContact O-N 2.96Å
527S26.1Very low26Very low112 Ų112141.9 Ų141.978%0.78375%0.754SS**  trans-48106.2167-600000108.9T525 T529T525-S527 PolarHBondContact O-N 2.94Å; S527-T529 PolarHBondContact O-N 3.41Å
528S25.1Very low25.9Very low110 Ų110139.5 Ų139.577%0.76975%0.751SS**  trans-70.491-176.8720000109.7F526 K530F526-S528 PolarHBondContact O-N 2.96Å; S528-K530 PolarHBondContact O-N 2.88Å
529T27.5Very low25.8Very low126 Ų126137.8 Ų137.877%0.77375%0.752SS**  trans-72.7111.8154.239.70000106.7S527 S531S527-T529 PolarHBondContact O-N 3.41Å; T529-S531 PolarHBondContact O-N 3.47Å
530K23.8Very low25.6Very low208 Ų208141.5 Ų141.590%0.90475%0.752SS**  trans-56.997.3178.2-69.4173.8176.61770110.1S528S528-K530 PolarHBondContact O-N 2.88Å
531S25.3Very low25.5Very low92 Ų92143 Ų14364%0.64376%0.756SS**  trans-122.8108.2157.348.10000108.9T529 T533T529-S531 PolarHBondContact O-N 3.47Å; S531-T533 PolarHBondContact O-N 3.26Å
532H22.5Very low25.3Very low190 Ų190146.8 Ų146.888%0.8876%0.764SS**  trans-59.9100.8167.5-102.3-77.2000108.7
533T26.6Very low25.2Very low104 Ų104146.3 Ų146.364%0.63876%0.763SS**  trans-123.5103.1158.133.90000107.8S531 Y535S531-T533 PolarHBondContact O-N 3.26Å; T533-Y535 PolarHBondContact O-N 2.94Å
534V24.3Very low25.3Very low117 Ų117142 Ų14271%0.70976%0.757SS**  trans-59.8103.4173.8177.20000107.7L536V534-L536 HydrophobicContact CG1-CG 4.26Å; V534-L536 PolarHBondContact O-N 3.31Å; V534-L536 VanDerWaalsContact O-N 3.09Å
535Y25.7Very low25.3Very low208 Ų208143.5 Ų143.582%0.81677%0.768SS**  trans-75.494.7166.5-89.3-91.8000107.9T533 N537T533-Y535 PolarHBondContact O-N 2.94Å; Y535-N537 PolarHBondContact O-N 3.48Å
536L27.2Very low25.2Very low142 Ų142146 Ų14674%0.74377%0.77SS**  trans-67.2111163.3-89.2156.5000107.8V534 T538V534-L536 HydrophobicContact CG1-CG 4.26Å; V534-L536 PolarHBondContact O-N 3.31Å; V534-L536 VanDerWaalsContact O-N 3.09Å; L536-T538 VanDerWaalsContact C-N 3.25Å; L536-T538 PolarHBondContact O-N 2.84Å
537N23.6Very low24.9Very low153 Ų153143.2 Ų143.282%0.81877%0.772SS**  trans-62.286.3166.3-76.3-26000109.2Y535Y535-N537 PolarHBondContact O-N 3.48Å
538T26.5Very low24.7Very low120 Ų120144.7 Ų144.774%0.73677%0.771SS**  trans-95.192.716138.80000108.7L536 R540L536-T538 VanDerWaalsContact C-N 3.25Å; L536-T538 PolarHBondContact O-N 2.84Å; T538-R540 PolarHBondContact O-N 2.79Å
539S24.1Very low24.7Very low124 Ų124144.4 Ų144.487%0.86777%0.77SS**  trans-6187.4156.3-38.50000107.3
540R25.1Very low24.5Very low200 Ų200145.6 Ų145.676%0.75577%0.771SS**  trans-117.796170-142177.2-156.3-170.94.8107.9T538 F542T538-R540 PolarHBondContact O-N 2.79Å; R540-F542 VanDerWaalsContact C-N 3.34Å; R540-F542 PolarHBondContact O-N 3.02Å
541E23Very low24.5Very low178 Ų178145.2 Ų145.283%0.83277%0.77SS**  trans-48.696.2164.1-67.1170.8162.700108.7N543E541-N543 VanDerWaalsContact C-N 3.34Å; E541-N543 PolarHBondContact O-N 2.92Å
542F25Very low24.5Very low162 Ų162150 Ų15071%0.71178%0.779SS**  trans-83.990166.8-95.3-80000107.4R540 V544R540-F542 VanDerWaalsContact C-N 3.34Å; R540-F542 PolarHBondContact O-N 3.02Å; F542-V544 HydrophobicContact CB-CG2 4.13Å; F542-V544 HydrophobicContact CD1-CG2 4.04Å; F542-V544 PolarHBondContact O-N 2.76Å
543N24.7Very low24.6Very low150 Ų150146.5 Ų146.580%0.80277%0.771SS**  trans-61.982.5157.6-75.9-32.1000108.2E541E541-N543 VanDerWaalsContact C-N 3.34Å; E541-N543 PolarHBondContact O-N 2.92Å
544V26.4Very low24.6Very low109 Ų109146.9 Ų146.966%0.66177%0.774SS**  trans-10189.4168.7-179.20000107.4F542F542-V544 HydrophobicContact CB-CG2 4.13Å; F542-V544 HydrophobicContact CD1-CG2 4.04Å; F542-V544 PolarHBondContact O-N 2.76Å
545S24.7Very low24.7Very low98 Ų98148.5 Ų148.569%0.68578%0.784SS**  trans13.8118.6140.849.20000117S547S545-S547 PolarHBondContact O-N 2.62Å
546E21.9Very low24.9Very low186 Ų186147.2 Ų147.287%0.86978%0.783SS**  trans-35.9100.5161.9-66.8169.4139.700113.1N548E546-N548 PolarHBondContact O-N 3.47Å
547S22.8Very low24.8Very low118 Ų118143.3 Ų143.383%0.82578%0.777SS**  trans-89.387.9158.862.40000108.5S545 S549S545-S547 PolarHBondContact O-N 2.62Å; S547-S549 PolarHBondContact O-N 2.87Å
548N23.4Very low25Very low143 Ų143143.5 Ų143.577%0.76578%0.776SS**  trans-55.6114159.6-84.7-39.9000109.3E546E546-N548 PolarHBondContact O-N 3.47Å
549S25Very low25.2Very low104 Ų104146.4 Ų146.473%0.72778%0.781SS**  trans136.192.7151.574.20000111.1S547S547-S549 PolarHBondContact O-N 2.87Å
550N23.8Very low25.4Very low151 Ų151145.5 Ų145.581%0.80778%0.775SS**  trans-154.9113.4133.5-98.8-24.1000110F552N550-F552 PolarHBondContact O-N 2.94Å
551K22.5Very low25.6Very low201 Ų201143 Ų14387%0.87478%0.776SS**  trans-49.8105.1160.1-83.7169166.4171.20108.7
552F25.8Very low26.1Very low192 Ų192144 Ų14484%0.84278%0.777SS**  trans-124.1107.1147.3-91.4-79.3000109N550N550-F552 PolarHBondContact O-N 2.94Å
553T24.4Very low26.2Very low117 Ų117145 Ų14572%0.71878%0.781SS**  trans-55.3122.5168.738.10000111.6
554T26.2Very low26.5Very low112 Ų112144.8 Ų144.869%0.68778%0.78SS**  trans28.111013954.40000118.4
555T26Very low26.9Very low150 Ų150145.2 Ų145.292%0.9279%0.785SS**  trans-11288.4140.33.50000107.5G557T555-G557 VanDerWaalsContact C-N 3.29Å; T555-G557 PolarHBondContact O-N 3.27Å
556K30.4Very low27.2Very low182 Ų182149.7 Ų149.779%0.79179%0.792SS**  trans-70.992.1164.2-75.1-175.5177-176.90107.3
557G26.2Very low27.8Very low60 Ų60150 Ų15062%0.61979%0.79SS**  trans-64.8129166.200000110.5T555T555-G557 VanDerWaalsContact C-N 3.29Å; T555-G557 PolarHBondContact O-N 3.27Å
558I27.9Very low28Very low156 Ų156156.1 Ų156.180%0.880%0.796SS**SBendtrans68.833.6153.1-26.6178.6000118.5
559Q29.3Very low28.4Very low182 Ų182158.5 Ų158.585%0.8580%0.799SS**  trans-109.611.9158.7-76.1-169.8-7.100114.6
560S28.7Very low28.6Very low104 Ų104158.4 Ų158.473%0.72780%0.804SS**  trans-105.914.1-174-165.80000115.9F562S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 2.89Å
561L29.4Very low28.7Very low148 Ų148156.4 Ų156.478%0.77580%0.802SS**SBendtrans-84.41177.9-80.9170.2000115.1
562F32.8Very low29Very low198 Ų198152.3 Ų152.387%0.86880%0.795SS**SBendtrans-123.863.3172.3-64.4-73.8000111.7S560S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 2.89Å
563K29.1Very low29.2Very low183 Ų183149.4 Ų149.480%0.79680%0.795SS**  trans-161126.4155.4-112.4158.6-172.1-179.30112.1
564L30.2Very low29.2Very low146 Ų146147.1 Ų147.176%0.76479%0.794SS**  trans96.5142.7164.9-64140.5000116.1F566L564-F566 HydrophobicContact CD2-CD2 4.31Å
565P34.6Very low29.5Very low118 Ų118147.6 Ų147.677%0.76680%0.799SS**  cis-123.5141.117.633.1-15000114.8K567P565-K567 PolarHBondContact O-N 3.12Å
566F31.3Very low29.6Very low192 Ų192148 Ų14884%0.84280%0.796SS**  trans-50.6127.1162.1-76-91.3000110.3L564 R568L564-F566 HydrophobicContact CD2-CD2 4.31Å; F566-R568 PolarHBondContact O-N 3.45Å
567K33.6Very low29.4Very low192 Ų192146.3 Ų146.384%0.83579%0.794SS**  trans-60.6105.4168.6-74-173.2176.8179.50108.6P565 K569P565-K567 PolarHBondContact O-N 3.12Å; K567-K569 PolarHBondContact O-N 2.97Å
568R28.1Very low29.6Very low248 Ų248152.1 Ų152.194%0.93681%0.805SS**  trans-63.1100.4158.6-68.1-178.7-176.6163.80.8106.9F566F566-R568 PolarHBondContact O-N 3.45Å
569K31.1Very low29.5Very low193 Ų193149.3 Ų149.384%0.83980%0.799SS**PPolyproline II helixtrans-90.5130.2156-78.2-153173.5-171.50107.8K567K567-K569 PolarHBondContact O-N 2.97Å
570A29.9Very low29.5Very low101 Ų101147.8 Ų147.884%0.83580%0.795SS**PPolyproline II helixtrans-54.6141.4-170.100000113
571S25.7Very low29.5Very low109 Ų109149.6 Ų149.676%0.76280%0.797SS**PPolyproline II helixtrans-70.9132.4166.3-169.70000110.1
572T28.2Very low29.5Very low116 Ų116149.8 Ų149.871%0.71280%0.799SS**  trans-3.1139.8156.149.40000120.4
573P31.4Very low29.2Very low131 Ų131146.1 Ų146.185%0.85180%0.795SS**  -100141.4122.1-1.921.3000110.2
574G23.7Very low29.2Very low68 Ų68145.1 Ų145.170%0.70180%0.797SS**  trans-75.1-167.5-176.200000115.7
575P31.5Very low29Very low122 Ų122147 Ų14779%0.79280%0.799SS**  trans-92.3147-148.235.7-33.5000112.8
576N29.4Very low28.8Very low159 Ų159146.9 Ų146.985%0.8580%0.801SS**  trans-117.7113.3158.3-143.9-9.2000108.7
577I24.7Very low28.5Very low146 Ų146147.9 Ų147.975%0.74980%0.801SS**  trans-76124173.9-64.2163.8000106.3
578Q32.1Very low28.2Very low183 Ų183141.8 Ų141.886%0.85579%0.793SS**  trans-161111.8147.3-108.5165.145.600110.1
579S23.9Very low28.1Very low96 Ų96141.4 Ų141.467%0.67179%0.791SS**  trans-50.8147.5160.651.50000111.9
580I30.9Very low27.9Very low150 Ų150137.9 Ų137.977%0.76979%0.791SS**  176.7117.4125.6-84.7148.8000109
581N27.1Very low27.7Very low142 Ų142137.7 Ų137.776%0.75979%0.79SS**  trans16.4114.9149.6-57.7-26.3000119.6
582N29.7Very low27.8Very low153 Ų153137.8 Ų137.882%0.81879%0.79SS**  trans-159.3112.2130.5-99.8-19.9000110.8L584N582-L584 PolarHBondContact O-N 3.39Å
583P27.3Very low27.6Very low121 Ų121140.5 Ų140.579%0.78680%0.799SS**  trans-88.195.1174.432.4-28.3000110.1
584L28.1Very low27.5Very low162 Ų162138.1 Ų138.185%0.84879%0.791SS**  trans-102.8105.3165.8-84.5164.8000110.1N582 S586N582-L584 PolarHBondContact O-N 3.39Å; L584-S586 PolarHBondContact O-N 3.36Å
585K27.2Very low27.7Very low185 Ų185143.5 Ų143.580%0.80480%0.798SS**  trans-41.9112.5169.1-64.6165.7176.7174.40111.4Y587K585-Y587 HydrophobicContact CB-CE2 4.49Å
586S29.1Very low27.5Very low115 Ų115145.8 Ų145.880%0.80480%0.803SS**  trans-115.4112.1153.664.10000108.8L584 G588L584-S586 PolarHBondContact O-N 3.36Å; S586-G588 PolarHBondContact O-N 2.91Å
587Y26.8Very low27.5Very low213 Ų213146.7 Ų146.784%0.83580%0.801SS**  trans-59.492.4176.3-77.7-105.6000110.9K585K585-Y587 HydrophobicContact CB-CE2 4.49Å
588G26.2Very low27.8Very low65 Ų65146 Ų14667%0.6780%0.804SS**  trans-101.381.3162.700000108.7S586 S590S586-G588 PolarHBondContact O-N 2.91Å; G588-S590 PolarHBondContact O-N 3.31Å
589R25.1Very low27.7Very low239 Ų239142.1 Ų142.190%0.90280%0.797SS**  trans-7194179.9-151.5179.1-166-165.33.7108.1A591R589-A591 PolarHBondContact O-N 3.17Å
590S27.4Very low27.8Very low119 Ų119145.1 Ų145.183%0.83281%0.805SS**  trans-6394.7169-41.30000108.4G588 S592G588-S590 PolarHBondContact O-N 3.31Å; S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 VanDerWaalsContact O-N 3.15Å
591A26.4Very low27.8Very low98 Ų98146.2 Ų146.281%0.8181%0.807SS**  trans-73.8104.5171.200000108.1R589R589-A591 PolarHBondContact O-N 3.17Å
592S27.2Very low27.7Very low111 Ų111146.9 Ų146.978%0.77681%0.811SS**  trans-53.5130.6170-172.50000110.2S590 A594S590-S592 PolarHBondContact O-N 3.22Å; S590-S592 VanDerWaalsContact O-N 3.15Å; S592-A594 VanDerWaalsContact C-N 3.35Å; S592-A594 PolarHBondContact O-N 3.49Å
593L24.6Very low27.9Very low172 Ų172145.2 Ų145.290%0.90181%0.809SS**  trans-69.191.2175.2-162.984000108.1Q595L593-Q595 PolarHBondContact O-N 2.95Å
594A29.5Very low27.9Very low82 Ų82144.6 Ų144.668%0.67881%0.807SS**  trans-70.1124174.100000109.5S592 L596S592-A594 VanDerWaalsContact C-N 3.35Å; S592-A594 PolarHBondContact O-N 3.49Å; A594-L596 PolarHBondContact O-N 3.19Å
595Q27.9Very low28Very low181 Ų181144.4 Ų144.485%0.84681%0.805SS**  trans-53.3111.8174.2-70.1160.7-29.300110.3L593L593-Q595 PolarHBondContact O-N 2.95Å
596L27.3Very low28Very low170 Ų170143.5 Ų143.589%0.8981%0.806SS**  trans-88.2114.1166.1-80170.4000108.6A594 T598A594-L596 PolarHBondContact O-N 3.19Å; L596-T598 PolarHBondContact O-N 3.11Å
597H28.7Very low28Very low178 Ų178143.3 Ų143.382%0.82480%0.804SS**  trans-53.4119.3173.2-75.9-97.2000110.6S599H597-S599 PolarHBondContact O-N 3.05Å; H597-S599 VanDerWaalsContact O-N 3.13Å
598T31.5Very low28.1Very low132 Ų132140.2 Ų140.281%0.8180%0.801SS**  trans-75.294.8164.251.90000107.8L596 N600L596-T598 PolarHBondContact O-N 3.11Å; T598-N600 PolarHBondContact O-N 3.1Å
599S28.9Very low28.2Very low101 Ų101140.8 Ų140.871%0.70679%0.794SS**  trans-65.1119.416547.40000108.6H597 E601H597-S599 PolarHBondContact O-N 3.05Å; H597-S599 VanDerWaalsContact O-N 3.13Å; S599-E601 VanDerWaalsContact C-N 3.35Å; S599-E601 PolarHBondContact O-N 2.94Å
600N27.6Very low28.3Very low158 Ų158136.7 Ų136.785%0.84579%0.791SS**  trans-61.890.3170.2-78.8-14.5000109.8T598T598-N600 PolarHBondContact O-N 3.1Å
601E29.4Very low28.5Very low173 Ų173137.8 Ų137.881%0.80879%0.787SS**  trans-109.6101.7158.6-78.8-174.8165.300107.4S599 P603S599-E601 VanDerWaalsContact C-N 3.35Å; S599-E601 PolarHBondContact O-N 2.94Å; E601-P603 WeakPolarHBondContact O-CD 3.46Å
602N26.8Very low28.7Very low157 Ų157142 Ų14284%0.8479%0.79SS**  trans-56.3114169.9-78.7-39000108.8S604N602-S604 PolarHBondContact O-N 3.1Å
603P34Very low28.8Very low118 Ų118144.5 Ų144.577%0.76679%0.794SS**  trans-71.9102.7164.129-26.6000106.3E601 I605E601-P603 WeakPolarHBondContact O-CD 3.46Å; P603-I605 PolarHBondContact O-N 3.37Å
604S27.1Very low29Very low107 Ų107143.4 Ų143.475%0.74879%0.789SS**  trans-41.4113.3161.8164.30000108.1N602 M606N602-S604 PolarHBondContact O-N 3.1Å; S604-M606 PolarHBondContact O-N 2.72Å
605I30.4Very low29.1Very low159 Ų159149.1 Ų149.182%0.81580%0.798SS**  trans-60.394.9173.1-61.8167.6000105.6P603 S607P603-I605 PolarHBondContact O-N 3.37Å; I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.87Å
606M26.8Very low29.3Very low166 Ų166145.6 Ų145.682%0.81879%0.794SS**  trans-68.397171.6-157.5158.8161.800104.3S604 I608S604-M606 PolarHBondContact O-N 2.72Å; M606-I608 VanDerWaalsContact C-N 3.27Å; M606-I608 PolarHBondContact O-N 3.41Å
607S28.8Very low29.6Very low110 Ų110143.5 Ų143.577%0.76979%0.788SS**  trans-58.693.3174.843.80000108I605 S609I605-S607 VanDerWaalsContact C-N 3.26Å; I605-S607 PolarHBondContact O-N 2.87Å; S607-S609 PolarHBondContact O-N 3.43Å
608I28.6Very low29.7Very low149 Ų149142.2 Ų142.276%0.76479%0.787SS**  trans-70.9108.3170.9-65.7161000105.3M606 N610M606-I608 VanDerWaalsContact C-N 3.27Å; M606-I608 PolarHBondContact O-N 3.41Å; I608-N610 PolarHBondContact O-N 3.02Å
609S27.3Very low29.7Very low76 Ų76144.8 Ų144.853%0.53179%0.787SS.*  trans-54.1129.6172.7168.20000109.5S607 D611S607-S609 PolarHBondContact O-N 3.43Å; S609-D611 PolarHBondContact O-N 2.99Å; S609-D611 VanDerWaalsContact OG-CG 3.27Å; S609-D611 PolarHBondContact OG-N 3.22Å; S609-D611 PolarHBondContact OG-OD2 3.33Å
610N28.3Very low29.7Very low154 Ų154147.2 Ų147.282%0.82479%0.792SS**SBendtrans-70.814.5179.2-82.3-32.2000114.1I608 Q612I608-N610 PolarHBondContact O-N 3.02Å; N610-Q612 VanDerWaalsContact C-N 3.29Å; N610-Q612 PolarHBondContact O-N 3.22Å
611D31.7Very low29.8Very low142 Ų142147 Ų14776%0.75979%0.79SS**THydrogen-bonded Turntrans-805.1-170.9-72.8-29000115.7S609S609-D611 PolarHBondContact O-N 2.99Å; S609-D611 VanDerWaalsContact OG-CG 3.27Å; S609-D611 PolarHBondContact OG-N 3.22Å; S609-D611 PolarHBondContact OG-OD2 3.33Å
612Q30.6Very low29.9Very low186 Ų186144.4 Ų144.487%0.86979%0.786SS**THydrogen-bonded Turntrans-119.72.9-173.1-71-164.15.500117.8N610N610-Q612 VanDerWaalsContact C-N 3.29Å; N610-Q612 PolarHBondContact O-N 3.22Å
613L29.5Very low30.3Very low163 Ų163141.9 Ų141.985%0.85378%0.778SS**SBendtrans-102.53.5-179.6-80169.8000116.3
614N28.9Very low30.2Very low150 Ų150147.4 Ų147.480%0.80279%0.785SS**  trans-113.188.1176.4-77.6-18000111.3
615K31Very low30.5Very low202 Ų202148.1 Ų148.188%0.87878%0.779SS**  trans176.267.9154.5-96.2155.1-169.5-177.80111.8
616S31.3Very low30.7Very low107 Ų107148.2 Ų148.275%0.74877%0.774SS**  trans-140.751.7159.960.80000111N618S616-N618 PolarHBondContact O-N 2.9Å
617T34.2Very low31.3Very low126 Ų126145.2 Ų145.277%0.77377%0.767SS**  trans-72.472.416836.60000110.1K619T617-K619 PolarHBondContact O-N 2.72Å
618N30.7Very low31.7Very low150 Ų150146.4 Ų146.480%0.80276%0.764SS**  trans-67.787.4162.8-84.9-22.6000108S616 L620S616-N618 PolarHBondContact O-N 2.9Å; N618-L620 PolarHBondContact O-N 2.74Å
619K31.4Very low32.4Very low187 Ų187144.4 Ų144.481%0.81375%0.754SS**  trans-61.795.6168.9-76.3-179.3175.8179.60108.4T617 N621T617-K619 PolarHBondContact O-N 2.72Å; K619-N621 PolarHBondContact O-N 2.94Å
620L30Very low33Very low152 Ų152147 Ų14780%0.79676%0.762SS**  trans-64.3101.8166.3-106.9131.5000107.6N618 V622N618-L620 PolarHBondContact O-N 2.74Å; L620-V622 VanDerWaalsContact C-N 3.32Å; L620-V622 PolarHBondContact O-N 2.93Å
621N29.2Very low33.4Very low153 Ų153147.3 Ų147.382%0.81876%0.756SS**  trans-61.195.3166.6-94.4-20000108K619 P623K619-N621 PolarHBondContact O-N 2.94Å; N621-P623 WeakPolarHBondContact O-CD 3.49Å
622V31.5Very low34Very low118 Ų118146.4 Ų146.472%0.71575%0.747SS**  trans-84.1109.4169.7-177.70000107L620 Y624L620-V622 VanDerWaalsContact C-N 3.32Å; L620-V622 PolarHBondContact O-N 2.93Å; V622-Y624 PolarHBondContact O-N 2.92Å
623P34.7Very low34.7Very low104 Ų104142.9 Ų142.968%0.67573%0.733SS**  trans-64.7128.8179.623.4-30.1000110N621 I625N621-P623 WeakPolarHBondContact O-CD 3.49Å; P623-I625 PolarHBondContact O-N 3.5Å
624Y31.8Very low35.1Very low235 Ų235139.5 Ų139.592%0.92272%0.723SS**  trans-42.698.9171.1-101.7-104.7000111.5V622 K626V622-Y624 PolarHBondContact O-N 2.92Å; Y624-K626 PolarHBondContact O-N 3.46Å
625I33.5Very low35.7Very low121 Ų121140.2 Ų140.262%0.62172%0.719SS**  trans-82.3106.3170-59.7176.8000106.6P623 L629P623-I625 PolarHBondContact O-N 3.5Å; I625-L629 HydrophobicContact CG2-CD1 3.87Å
626K35.5Very low36.1Very low161 Ų161139.8 Ų139.870%0.773%0.725SS**  trans-49.5150.2175.8-77.3177.6177.21760111.4Y624 L628Y624-K626 PolarHBondContact O-N 3.46Å; K626-L628 PolarHBondContact O-N 3.31Å
627P38.3Very low36.4Very low103 Ų103141.5 Ų141.567%0.66972%0.724SS**THydrogen-bonded Turntrans-6721.3-174.325.9-34.1000116.3L629 L630P627-L629 PolarHBondContact O-N 2.89Å; P627-L630 HydrophobicContact CB-CD1 4.42Å; P627-L630 PolarHBondContact O-N 3.38Å
628L38.5Very low36.5Very low135 Ų135142.3 Ų142.371%0.70772%0.721SS**Hα-helixtrans-62.5-28.2174.8-89.8154.4000112.8K626 L630 K631K626-L628 PolarHBondContact O-N 3.31Å; L628-L630 PolarHBondContact O-N 2.87Å; L628-K631 PolarHBondContact O-N 2.84Å
629L42.5Very low36.8Very low108 Ų108141.8 Ų141.857%0.56572%0.716SS**Hα-helixtrans-70.7-26.2179.5-83160.5000114.1I625 P627 K631 E632 L633I625-L629 HydrophobicContact CG2-CD1 3.87Å; P627-L629 PolarHBondContact O-N 2.89Å; L629-K631 PolarHBondContact O-N 2.95Å; L629-E632 PolarHBondContact O-N 3.14Å; L629-L633 PolarHBondContact O-N 3.46Å; L629-L633 VanDerWaalsContact O-N 3.12Å
630L40.9Very low37.1Very low131 Ų131139.2 Ų139.269%0.68671%0.711SS**Hα-helixtrans-66.9-28.6177.3-88.5155.4000112.2P627 L628 S634P627-L630 HydrophobicContact CB-CD1 4.42Å; P627-L630 PolarHBondContact O-N 3.38Å; L628-L630 PolarHBondContact O-N 2.87Å; L630-S634 PolarHBondContact O-N 3.12Å
631K36.4Very low37.5Very low160 Ų160138.4 Ų138.470%0.69671%0.705SS**Hα-helixtrans-78.9-25.6179.6-156.7176.8-174.7178.70113.2L628 L629 S634L628-K631 PolarHBondContact O-N 2.84Å; L629-K631 PolarHBondContact O-N 2.95Å; K631-S634 PolarHBondContact O-OG 3.2Å
632E44.1Very low38.1Very low123 Ų123137.4 Ų137.458%0.57570%0.698SS**Hα-helixtrans-79.2-40.1173.5-77-77.3134.800110.6L629 S634 K635L629-E632 PolarHBondContact O-N 3.14Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.23Å; E632-K635 PolarHBondContact O-N 3.1Å; E632-K635 VanDerWaalsContact O-N 3.14Å
633L44.8Very low38.6Very low111 Ų111138.8 Ų138.858%0.58170%0.697SS**Hα-helixtrans-64.9-28.9176.4-81.1164.3000113.4L629 K635 I636L629-L633 PolarHBondContact O-N 3.46Å; L629-L633 VanDerWaalsContact O-N 3.12Å; L633-K635 PolarHBondContact O-N 3.28Å; L633-I636 HydrophobicContact CD2-CD1 4.47Å; L633-I636 PolarHBondContact O-N 2.97Å
634S36.9Very low38.9Very low93 Ų93141.5 Ų141.565%0.6570%0.698SS**THydrogen-bonded Turntrans-75.3-5176.486.10000114.2L630 K631 E632L630-S634 PolarHBondContact O-N 3.12Å; K631-S634 PolarHBondContact O-OG 3.2Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.23Å
635K42.2Very low39.5Very low164 Ų164133.7 Ų133.771%0.71368%0.68SS**THydrogen-bonded Turntrans-95.8-17.9175.6-80.7-177.2177.9174.90113.2E632 L633E632-K635 PolarHBondContact O-N 3.1Å; E632-K635 VanDerWaalsContact O-N 3.14Å; L633-K635 PolarHBondContact O-N 3.28Å
636I39.9Very low40Very low194 Ų194134.8 Ų134.8100%0.99569%0.685SS**  trans-80.30169.6-57.2176.3000106.9L633L633-I636 HydrophobicContact CD2-CD1 4.47Å; L633-I636 PolarHBondContact O-N 2.97Å

Retrieved 636 of 636 residues in 95.2 ms (Link to these results)