A0A087XII2_POEFO Loading...

Transcription factor E2F8

AlphaFold DB , UniProt , Accession A0A087XII2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 798 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S47.9Very low39.8Very low174 Ų174157.4 Ų157.4100%1.21785%0.846SS**  0118.50-175.90000108.5
2M37.8Very low40.1Very low190 Ų190150.6 Ų150.694%0.93683%0.827SS**  trans-161.4137.8160-91.4-52.9-177.300106.4
3G42.6Very low39.3Very low48 Ų48150.9 Ų150.950%0.49582%0.82SS.*  trans-86161.3-174.800000114F5G3-F5 PolarHBondContact O-N 3.45Å
4P42Very low39.2Very low134 Ų134147.4 Ų147.487%0.8782%0.821SS**  trans-79.8114.4177.531.5-32.8000111.7
5F40.1Very low39.7Very low186 Ų186142.1 Ų142.182%0.81681%0.813SS**  trans-103.3101.4174.5-76.3-77.6000112.3G3G3-F5 PolarHBondContact O-N 3.45Å
6T44.4Very low39.3Very low127 Ų127140.5 Ų140.578%0.77981%0.813SS**  trans25.6120.4145.657.20000120.1
7T37.8Very low39.9Very low137 Ų137140.2 Ų140.284%0.8481%0.814SS**PPolyproline II helixtrans-89145.6152.745.60000111.4
8P37.7Very low40.4Very low128 Ų128138 Ų13883%0.83180%0.798SS**PPolyproline II helixtrans-82.5158.7-173.532.7-36.2000113.9
9K40.3Very low41.1Very low207 Ų207135.7 Ų135.790%0.979%0.789SS**PPolyproline II helixtrans-90.1134.6176.7-81.8-178.1176.3174.30113
10K38.6Very low41.9Very low188 Ų188139.2 Ų139.282%0.81779%0.788SS**  trans54.5115.2144.2-171.2-175.9-178.7-176.10118
11R28.6Very low43.4Very low212 Ų212135.1 Ų135.180%0.877%0.766SS**  trans-107.8145.3131-151.2-179.8-159.2-165.810.9108.5E13R11-E13 WeakPolarHBondContact CD-OE1 3.3Å; R11-E13 HydrophobicContact CG-CG 4.48Å; R11-E13 IonicContact CZ-OE1 3.74Å; R11-E13 IonicContact NE-OE1 3.95Å; R11-E13 IonicContact NH1-OE1 2.84Å; R11-E13 PolarHBondContact NH1-OE1 2.84Å
12A43.6Very low44.2Very low76 Ų76132.1 Ų132.163%0.62874%0.742SS**  trans-105.8128.4163.800000106.8
13E29Very low45.7Very low155 Ų155127.4 Ų127.472%0.72473%0.725SS**  trans-117.9140.6169.8-69.3-174.4166.700108.2R11R11-E13 WeakPolarHBondContact CD-OE1 3.3Å; R11-E13 HydrophobicContact CG-CG 4.48Å; R11-E13 IonicContact CZ-OE1 3.74Å; R11-E13 IonicContact NE-OE1 3.95Å; R11-E13 IonicContact NH1-OE1 2.84Å; R11-E13 PolarHBondContact NH1-OE1 2.84Å
14A37.8Very low47.3Very low101 Ų101127.2 Ų127.284%0.83572%0.716SS**  trans-100.4158-176.200000110.3
15G46.7Very low48.6Very low68 Ų68122.8 Ų122.870%0.70169%0.685SS**  trans78.637.3156.700000117.2V17G15-V17 PolarHBondContact O-N 2.69Å
16S34.5Very low50.3Low117 Ų117118.8 Ų118.882%0.81867%0.671SS**  trans-68.6100.1155.7610000109D18S16-D18 VanDerWaalsContact C-N 3.31Å; S16-D18 PolarHBondContact O-N 3.06Å
17V49.6Very low51.5Low136 Ų136119.8 Ų119.882%0.82467%0.665SS**  trans-71.389174.7-178.80000108.7G15G15-V17 PolarHBondContact O-N 2.69Å
18D48.5Very low53.6Low100 Ų100118.2 Ų118.254%0.53565%0.649SS.*  trans-60.6124171.1-167.645000108.3S16S16-D18 VanDerWaalsContact C-N 3.31Å; S16-D18 PolarHBondContact O-N 3.06Å
19P53.1Low55.3Low95 Ų95117.7 Ų117.762%0.61764%0.639SS**  trans-58.5149.7-177.624.2-34.5000110.4T21P19-T21 VanDerWaalsContact C-N 3.28Å; P19-T21 PolarHBondContact O-N 3.06Å
20W57.8Low56.7Low205 Ų205113.1 Ų113.178%0.77762%0.623SS**  trans-58.280.3-172-89.232.3000114
21T72.8Confident57.9Low53 Ų53108.2 Ų108.233%0.32561%0.612SS.*  trans-76.1144.5169.559.40000109.3P19 T23 S24 N25P19-T21 VanDerWaalsContact C-N 3.28Å; P19-T21 PolarHBondContact O-N 3.06Å; T21-T23 PolarHBondContact O-N 2.92Å; T21-S24 PolarHBondContact O-N 3.08Å; T21-S24 WeakPolarHBondContact OG1-CB 3.5Å; T21-S24 PolarHBondContact OG1-N 2.82Å; T21-N25 PolarHBondContact O-N 2.94Å; T21-N25 VanDerWaalsContact O-N 3.14Å
22P65.5Low59.6Low111 Ų111101.8 Ų101.872%0.72161%0.605SS**Hα-helixtrans-53.9-31.7175.9-27.835.5000113L26P22-L26 VanDerWaalsContact O-CB 3.27Å; P22-L26 WeakPolarHBondContact O-CB 3.36Å; P22-L26 PolarHBondContact O-N 3.25Å
23T69.4Low60.6Low92 Ų92100.5 Ų100.556%0.56459%0.594SS**Hα-helixtrans-69.3-36.6176.4-39.40000113.1T21 K27T21-T23 PolarHBondContact O-N 2.92Å; T23-K27 WeakPolarHBondContact O-CB 3.48Å; T23-K27 WeakPolarHBondContact O-CG 3.36Å; T23-K27 PolarHBondContact O-N 2.84Å
24S75.1Confident61.9Low44 Ų4494.9 Ų94.931%0.30857%0.572SS.*Hα-helixtrans-68.7-47.7175.5-168.30000110.6T21 L26 K27 M28T21-S24 PolarHBondContact O-N 3.08Å; T21-S24 WeakPolarHBondContact OG1-CB 3.5Å; T21-S24 PolarHBondContact OG1-N 2.82Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.66Å; S24-K27 WeakPolarHBondContact O-CB 3.49Å; S24-K27 PolarHBondContact O-N 3.06Å; S24-K27 VanDerWaalsContact O-N 3.14Å; S24-M28 PolarHBondContact O-N 2.9Å
25N70.4Confident62.8Low41 Ų4194.6 Ų94.622%0.21956%0.561CS.*Hα-helixtrans-60.8-40.2176.6-69.89.3000112.2T21 M28 L29T21-N25 PolarHBondContact O-N 2.94Å; T21-N25 VanDerWaalsContact O-N 3.14Å; N25-M28 PolarHBondContact O-N 3.22Å; N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.07Å
26L74.4Confident63Low102 Ų10298.4 Ų98.453%0.53456%0.561SS.*Hα-helixtrans-65.5-41.6175-178.860.6000112.2P22 S24 L29 I30P22-L26 VanDerWaalsContact O-CB 3.27Å; P22-L26 WeakPolarHBondContact O-CB 3.36Å; P22-L26 PolarHBondContact O-N 3.25Å; S24-L26 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 2.66Å; L26-L29 PolarHBondContact O-N 3.08Å; L26-I30 HydrophobicContact CD1-CD1 3.9Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.05Å
27K71Confident64.1Low148 Ų14898 Ų9864%0.64355%0.548SS*.Hα-helixtrans-61.2-45173.1-79.4177.2176.2-178.10111.5T23 S24 I30 S31T23-K27 WeakPolarHBondContact O-CB 3.48Å; T23-K27 WeakPolarHBondContact O-CG 3.36Å; T23-K27 PolarHBondContact O-N 2.84Å; S24-K27 WeakPolarHBondContact O-CB 3.49Å; S24-K27 PolarHBondContact O-N 3.06Å; S24-K27 VanDerWaalsContact O-N 3.14Å; K27-I30 PolarHBondContact O-N 2.89Å; K27-S31 PolarHBondContact O-N 3.5Å; K27-S31 PolarHBondContact O-OG 3.26Å; K27-S31 VanDerWaalsContact O-OG 3.08Å
28M81.1Confident64.5Low103 Ų10398.4 Ų98.451%0.50754%0.535SS..Hα-helixtrans-59.7-47.4178.2-173.917869.500111.6S24 N25 I30 S31 A32S24-M28 PolarHBondContact O-N 2.9Å; N25-M28 PolarHBondContact O-N 3.22Å; M28-I30 PolarHBondContact O-N 3.35Å; M28-S31 WeakPolarHBondContact CA-OG 3.49Å; M28-S31 PolarHBondContact O-N 2.86Å; M28-S31 PolarHBondContact O-OG 3.49Å; M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 2.98Å
29L74.1Confident64.8Low117 Ų11798 Ų9861%0.61353%0.533SS*.Hα-helixtrans-59.3-44.8174.5-84.5160.9000112.3N25 L26 S31 A32 A33N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.07Å; L26-L29 PolarHBondContact O-N 3.08Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.28Å; L29-A32 PolarHBondContact O-N 3.49Å; L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 2.95Å
30I69.8Low65.1Low112 Ų112102.8 Ų102.857%0.57454%0.539SS*.Hα-helixtrans-66.5-35.8178.1-69.4168000111.5L26 K27 M28L26-I30 HydrophobicContact CD1-CD1 3.9Å; L26-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 3.87Å; L26-I30 WeakPolarHBondContact O-CB 3.39Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.49Å; L26-I30 PolarHBondContact O-N 3.05Å; K27-I30 PolarHBondContact O-N 2.89Å; M28-I30 PolarHBondContact O-N 3.35Å
31S62.2Low64.8Low84 Ų8498.2 Ų98.259%0.58753%0.526SS*.Hα-helixtrans-73.1-32.6174.853.50000113.6K27 M28 L29K27-S31 PolarHBondContact O-N 3.5Å; K27-S31 PolarHBondContact O-OG 3.26Å; K27-S31 VanDerWaalsContact O-OG 3.08Å; M28-S31 WeakPolarHBondContact CA-OG 3.49Å; M28-S31 PolarHBondContact O-N 2.86Å; M28-S31 PolarHBondContact O-OG 3.49Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 3.28Å
32A64.7Low63.7Low78 Ų78102.1 Ų102.165%0.64554%0.539SS*.Hα-helixtrans-72.2-30175.500000112.2M28 L29 S34M28-A32 WeakPolarHBondContact O-CB 3.42Å; M28-A32 PolarHBondContact O-N 2.98Å; L29-A32 PolarHBondContact O-N 3.49Å; A32-S34 PolarHBondContact O-N 3.39Å; A32-S34 VanDerWaalsContact O-N 3.08Å
33A65.3Low62.9Low49 Ų49102.4 Ų102.441%0.40553%0.53SS..THydrogen-bonded Turntrans-80.430.7-17800000114.9L29 I37L29-A33 WeakPolarHBondContact O-CB 3.42Å; L29-A33 PolarHBondContact O-N 2.95Å; A33-I37 HydrophobicContact CB-CD1 4.33Å; A33-I37 WeakPolarHBondContact O-CD1 3.34Å
34S56.9Low62Low36 Ų36105 Ų10525%0.25254%0.54SS..  trans-161.695.4175.9-79.90000111.5A32A32-S34 PolarHBondContact O-N 3.39Å; A32-S34 VanDerWaalsContact O-N 3.08Å
35P55.3Low60.5Low95 Ų95107.1 Ų107.162%0.61755%0.554SS**SBend-107.2-50.791.6-16.332.8000115.1I37 R38P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 PolarHBondContact O-N 2.87Å; P35-R38 PolarHBondContact O-N 3.14Å
36E51.1Low59.3Low148 Ų148112.5 Ų112.569%0.69258%0.58SS**Hα-helixtrans-45.3-47.1-165.4-92.660.3-158.400114.8R38 N39 R40E36-R38 PolarHBondContact O-N 3.02Å; E36-N39 PolarHBondContact O-N 3.35Å; E36-R40 PolarHBondContact O-N 3.31Å
37I58Low57.7Low109 Ų109115.4 Ų115.456%0.55960%0.596SS**Hα-helixtrans-61.1-33.2-175.7-48-173.2000111A33 P35A33-I37 HydrophobicContact CB-CD1 4.33Å; A33-I37 WeakPolarHBondContact O-CD1 3.34Å; P35-I37 VanDerWaalsContact C-N 3.31Å; P35-I37 PolarHBondContact O-N 2.87Å
38R58Low56.4Low144 Ų144112.7 Ų112.754%0.54360%0.601SS.*Hα-helixtrans-82.3-11.5178.2-64.2-154.9-173.695.88.7115.1P35 E36 E41 K42P35-R38 PolarHBondContact O-N 3.14Å; E36-R38 PolarHBondContact O-N 3.02Å; R38-E41 WeakPolarHBondContact CA-OE1 3.41Å; R38-E41 WeakPolarHBondContact CG-OE1 3.35Å; R38-K42 WeakPolarHBondContact O-CD 3.27Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å
39N55.9Low54.4Low93 Ų93115.4 Ų115.450%0.49762%0.618SS.*Hα-helixtrans-85.5-45.4173.5-143.159.4000110.1E36 E41 K42 E43E36-N39 PolarHBondContact O-N 3.35Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact O-N 2.97Å; N39-K42 WeakPolarHBondContact O-CB 3.24Å; N39-K42 PolarHBondContact O-N 3.14Å; N39-E43 PolarHBondContact ND2-OE1 3.06Å; N39-E43 PolarHBondContact O-N 3.45Å; N39-E43 VanDerWaalsContact O-N 3.14Å
40R57.6Low52.8Low194 Ų194117 Ų11773%0.73263%0.627SS**Hα-helixtrans-62.9-28.5-179.1-165.5171.8-175.6143.12.7114E36E36-R40 PolarHBondContact O-N 3.31Å
41E52.3Low51.2Low110 Ų110122.5 Ų122.551%0.51464%0.64SS.*Hα-helixtrans-77.6-17173.370.4-172.7173.200113.8R38 N39 C45R38-E41 WeakPolarHBondContact CA-OE1 3.41Å; R38-E41 WeakPolarHBondContact CG-OE1 3.35Å; N39-E41 VanDerWaalsContact C-N 3.27Å; N39-E41 PolarHBondContact O-N 2.97Å; E41-C45 PolarHBondContact O-SG 3.32Å
42K50.7Low50Low134 Ų134126.4 Ų126.458%0.58366%0.655SS**Hα-helixtrans-93.2-38.2179.9-70.9179.7178.7-174.80113.6R38 N39 L44 C45R38-K42 WeakPolarHBondContact O-CD 3.27Å; R38-K42 WeakPolarHBondContact O-CG 3.44Å; N39-K42 WeakPolarHBondContact O-CB 3.24Å; N39-K42 PolarHBondContact O-N 3.14Å; K42-L44 PolarHBondContact O-N 2.79Å; K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.01Å
43E48.5Very low48.7Very low117 Ų117125.2 Ų125.255%0.54765%0.65SS.*Hα-helixtrans-58.6-39.3175.4-71.1165-178.100110.4N39 C45N39-E43 PolarHBondContact ND2-OE1 3.06Å; N39-E43 PolarHBondContact O-N 3.45Å; N39-E43 VanDerWaalsContact O-N 3.14Å; E43-C45 PolarHBondContact O-N 3.09Å
44L50.6Low47.3Very low146 Ų146131.6 Ų131.676%0.76468%0.676SS**THydrogen-bonded Turntrans-683.2174.1-69.3172.7000115.6K42K42-L44 PolarHBondContact O-N 2.79Å
45C43.2Very low46.3Very low89 Ų89136.3 Ų136.360%0.60170%0.699SS**THydrogen-bonded Turntrans-117.15-176.9-66.70000114.6E41 K42 E43E41-C45 PolarHBondContact O-SG 3.32Å; K42-C45 WeakPolarHBondContact O-CB 3.47Å; K42-C45 PolarHBondContact O-N 3.01Å; E43-C45 PolarHBondContact O-N 3.09Å
46M45.4Very low45.5Very low155 Ų155137.5 Ų137.576%0.76471%0.706SS**THydrogen-bonded Turntrans-116.8-21.2-174-61.3-8967.600115.4A48M46-A48 VanDerWaalsContact C-N 3.34Å; M46-A48 PolarHBondContact O-N 3.37Å
47D40.3Very low44.9Very low163 Ų163136.4 Ų136.487%0.87271%0.71SS**SBendtrans-92.336.6-178.4-68.5-61.5000114
48A43.7Very low43.7Very low91 Ų91140.1 Ų140.175%0.75273%0.725SS**SBendtrans-124.17.5-16900000115.7M46M46-A48 VanDerWaalsContact C-N 3.34Å; M46-A48 PolarHBondContact O-N 3.37Å
49D39.5Very low42.5Very low160 Ų160140.2 Ų140.286%0.85674%0.736SS**SBendtrans-145.152.3-175.6-160.526000113.2
50D39.7Very low41.4Very low151 Ų151141.7 Ų141.781%0.80775%0.754SS**  trans-160.2145.8153.1-141.4-31.1000112.7
51R37.2Very low40.3Very low227 Ų227141.7 Ų141.786%0.85776%0.762SS**  trans106.6105.6175.3-60.8-91.1-140.8-67.7-14.4117.5
52D36.3Very low39.1Very low166 Ų166144.4 Ų144.489%0.88878%0.78SS**  trans-86.5159.1160.6-179.929.8000111.5
53G36.9Very low38.6Very low53 Ų53141.3 Ų141.355%0.54679%0.786SS.*  trans92.9126.6155.700000119.9
54L36.9Very low37.8Very low182 Ų182142.3 Ų142.395%0.95380%0.795SS**  trans91.1136.4151.6-52.1178.9000120.5
55D34.4Very low37.5Very low136 Ų136144.8 Ų144.873%0.72780%0.803SS**  trans-90.2140.2172.5-173.2-22.2000109T57D55-T57 PolarHBondContact OD1-N 3.02Å
56P38.7Very low37.3Very low120 Ų120144.4 Ų144.478%0.77980%0.801SS**  -141.6146.612137-24.3000115.5
57T38.9Very low37.3Very low125 Ų125146.2 Ų146.277%0.76781%0.808SS**  trans-64126.6170-58.90000113.5D55D55-T57 PolarHBondContact OD1-N 3.02Å
58Q32.6Very low37.5Very low186 Ų186147.3 Ų147.387%0.86981%0.805SS**  trans-161156.9138.5-127.5178-18.300114
59D32.2Very low37.5Very low146 Ų146151.8 Ų151.878%0.78181%0.813SS**  trans-75.4149.2-174.1-49.5-95.9000114.7
60S33.6Very low37.9Very low124 Ų124148.7 Ų148.787%0.86780%0.799SS**  trans-159.3131.8147.9-80.70000111
61E34.2Very low39.3Very low195 Ų195144.2 Ų144.291%0.91178%0.779SS**  trans-71.1146.5166.1-69.6-179.777.200111
62N27.7Very low40.6Very low167 Ų167144.9 Ų144.989%0.89378%0.782SS**  152.8157.1120.8-1616.1000110.1
63G40Very low42.3Very low69 Ų69144.3 Ų144.371%0.71177%0.772SS**  trans-80.6141.7-165.200000115.5
64D32Very low43.7Very low138 Ų138145.4 Ų145.474%0.73877%0.765SS**  trans-132.5105.6139.3-1711.1000108.7S66D64-S66 PolarHBondContact O-N 3.2Å
65E43.5Very low45.6Very low197 Ų197144.2 Ų144.292%0.92175%0.752SS**  trans-78.755.2176.254.3-174.3103.700111.4
66S39Very low47.7Very low81 Ų81139.6 Ų139.657%0.56673%0.73SS**  trans-44.6132.2-174.348.70000114.2D64 K68D64-S66 PolarHBondContact O-N 3.2Å; S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.94Å
67E45.8Very low49.3Very low194 Ų194135.5 Ų135.591%0.90770%0.702SS**  trans-6775.3-170.1-63.5-167.3124.600113.9M69E67-M69 PolarHBondContact O-N 3.01Å
68K43.9Very low50.8Low186 Ų186130.3 Ų130.381%0.80967%0.673SS**  trans-59103.7165.7-95.6175.2178.11600109.2S66 V70S66-K68 VanDerWaalsContact C-N 3.31Å; S66-K68 PolarHBondContact O-N 2.94Å; K68-V70 WeakPolarHBondContact O-CG2 3.46Å; K68-V70 PolarHBondContact O-N 2.65Å
69M44.4Very low52.9Low185 Ų185124.5 Ų124.591%0.91165%0.648SS**  trans-48.397.7179-65.2-173118.200111.1E67 S71E67-M69 PolarHBondContact O-N 3.01Å; M69-S71 PolarHBondContact O-N 3.4Å
70V47.4Very low54.8Low95 Ų95118.9 Ų118.958%0.57662%0.618SS**  trans-64.7105.9-167.5-177.40000110.1K68 D74 K75K68-V70 WeakPolarHBondContact O-CG2 3.46Å; K68-V70 PolarHBondContact O-N 2.65Å; V70-D74 HydrophobicContact CG1-CB 4.31Å; V70-K75 HydrophobicContact CG1-CD 4.4Å; V70-K75 HydrophobicContact CG1-CG 4.5Å
71S70.3Confident56.6Low56 Ų56113.3 Ų113.339%0.39258%0.578SS.*  trans-68.5150.3-174.1-173.50000110.2M69 K73 D74M69-S71 PolarHBondContact O-N 3.4Å; S71-K73 PolarHBondContact O-N 3Å; S71-K73 PolarHBondContact OG-N 3.47Å; S71-D74 WeakPolarHBondContact CA-OD2 3.3Å; S71-D74 WeakPolarHBondContact CB-OD2 3.44Å; S71-D74 PolarHBondContact N-OD2 3.45Å; S71-D74 WeakPolarHBondContact O-CB 3.3Å; S71-D74 PolarHBondContact O-N 3.27Å
72R64.1Low58.2Low241 Ų241108.5 Ų108.591%0.90956%0.556SS**THydrogen-bonded Turntrans-59.4-18168.6-63.9-177-179.9-176.81112
73K71.9Confident60.3Low155 Ų155106 Ų10667%0.67454%0.537SS*.THydrogen-bonded Turntrans-70-32.5171.7-166.3-177.8178.1-169.60112.7S71 K75 S76S71-K73 PolarHBondContact O-N 3Å; S71-K73 PolarHBondContact OG-N 3.47Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.14Å; K73-S76 WeakPolarHBondContact O-CB 3.39Å; K73-S76 PolarHBondContact O-N 2.94Å; K73-S76 VanDerWaalsContact O-N 3.1Å; K73-S76 PolarHBondContact O-OG 3.25Å
74D67Low61.6Low75 Ų75103.6 Ų103.640%0.40151%0.507SS..THydrogen-bonded Turntrans-81.6-20.5-170.1-49.2-26000111.9V70 S71V70-D74 HydrophobicContact CG1-CB 4.31Å; S71-D74 WeakPolarHBondContact CA-OD2 3.3Å; S71-D74 WeakPolarHBondContact CB-OD2 3.44Å; S71-D74 PolarHBondContact N-OD2 3.45Å; S71-D74 WeakPolarHBondContact O-CB 3.3Å; S71-D74 PolarHBondContact O-N 3.27Å
75K76.3Confident63.2Low158 Ų15899 Ų9969%0.68748%0.482SS*.THydrogen-bonded Turntrans-101.417168.4-64.1176.4177.3169.70112.3V70 K73V70-K75 HydrophobicContact CG1-CD 4.4Å; V70-K75 HydrophobicContact CG1-CG 4.5Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.14Å
76S77.4Confident64.5Low38 Ų3893.7 Ų93.727%0.26647%0.471SS..  trans-74.7142.4-17871.50000112.3K73 G78 L79 L80K73-S76 WeakPolarHBondContact O-CB 3.39Å; K73-S76 PolarHBondContact O-N 2.94Å; K73-S76 VanDerWaalsContact O-N 3.1Å; K73-S76 PolarHBondContact O-OG 3.25Å; S76-G78 PolarHBondContact O-N 2.86Å; S76-G78 VanDerWaalsContact O-N 3.17Å; S76-L79 PolarHBondContact O-N 2.96Å; S76-L79 VanDerWaalsContact O-N 3.09Å; S76-L79 WeakPolarHBondContact OG-CB 3.12Å; S76-L79 PolarHBondContact OG-N 3.01Å; S76-L79 VanDerWaalsContact OG-N 3.17Å; S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.12Å
77L72.4Confident65.6Low34 Ų3495.8 Ų95.818%0.17847%0.467CS..Hα-helixtrans-57.3-29.6174.2179.555.8000112.3C81 L114 D270 V274L77-C81 VanDerWaalsContact O-CB 3.26Å; L77-C81 WeakPolarHBondContact O-CB 3.28Å; L77-C81 PolarHBondContact O-N 3.33Å; L77-L114 HydrophobicContact CD1-CD2 4.29Å; L77-D270 HydrophobicContact CD2-CB 4.18Å; L77-V274 HydrophobicContact CD1-CG2 4.18Å; L77-V274 HydrophobicContact CD2-CG2 3.86Å; L77-V274 HydrophobicContact CG-CG2 3.9Å
78G71.6Confident66.1Low16 Ų1689.4 Ų89.417%0.16544%0.435CS..Hα-helixtrans-62.3-56.4171.400000111.8S76 L80 C81 H82 S277S76-G78 PolarHBondContact O-N 2.86Å; S76-G78 VanDerWaalsContact O-N 3.17Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.07Å; G78-C81 WeakPolarHBondContact O-CB 3.42Å; G78-C81 PolarHBondContact O-N 3.24Å; G78-C81 VanDerWaalsContact O-N 3.12Å; G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.18Å; G78-S277 WeakPolarHBondContact CA-OG 3.32Å
79L75.8Confident66.6Low65 Ų6583.9 Ų83.934%0.3442%0.418SS..Hα-helixtrans-62.1-39.2-179.9-175.762.1000112.1S76 C81 H82 K83S76-L79 PolarHBondContact O-N 2.96Å; S76-L79 VanDerWaalsContact O-N 3.09Å; S76-L79 WeakPolarHBondContact OG-CB 3.12Å; S76-L79 PolarHBondContact OG-N 3.01Å; S76-L79 VanDerWaalsContact OG-N 3.17Å; L79-C81 VanDerWaalsContact C-N 3.32Å; L79-C81 PolarHBondContact O-N 3.25Å; L79-H82 PolarHBondContact O-N 3.06Å; L79-K83 WeakPolarHBondContact O-CG 3.28Å; L79-K83 PolarHBondContact O-N 2.86Å
80L73.3Confident66.6Low28 Ų2882.6 Ų82.615%0.14742%0.415CS..Hα-helixtrans-62.5-38.2174.7-68.9167.1000112.2S76 G78 F84 T110 L114S76-L80 WeakPolarHBondContact O-CG 3.38Å; S76-L80 PolarHBondContact O-N 3.12Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.07Å; L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 PolarHBondContact O-N 2.76Å; L80-T110 HydrophobicContact CD1-CG2 3.73Å; L80-T110 HydrophobicContact CD2-CG2 3.69Å; L80-T110 HydrophobicContact CG-CG2 4.27Å; L80-L114 HydrophobicContact CD1-CD1 3.74Å
81C69.9Low66.2Low6 Ų686.7 Ų86.74%0.04142%0.421CS..Hα-helixtrans-66.4-39.9173.6-167.60000112.1L77 G78 L79 F84 L85L77-C81 VanDerWaalsContact O-CB 3.26Å; L77-C81 WeakPolarHBondContact O-CB 3.28Å; L77-C81 PolarHBondContact O-N 3.33Å; G78-C81 WeakPolarHBondContact O-CB 3.42Å; G78-C81 PolarHBondContact O-N 3.24Å; G78-C81 VanDerWaalsContact O-N 3.12Å; L79-C81 VanDerWaalsContact C-N 3.32Å; L79-C81 PolarHBondContact O-N 3.25Å; C81-F84 PolarHBondContact O-N 3.21Å; C81-L85 WeakPolarHBondContact O-CB 3.41Å; C81-L85 WeakPolarHBondContact O-CD1 3.39Å; C81-L85 VanDerWaalsContact O-CG 3.23Å; C81-L85 WeakPolarHBondContact O-CG 3.44Å; C81-L85 PolarHBondContact O-N 3.41Å
82H68Low65.1Low94 Ų9486 Ų8644%0.43542%0.415SS..Hα-helixtrans-68.2-41175.6-68.378.4000111.7G78 L79 F84 L85 A86 S277G78-H82 PolarHBondContact O-N 3.43Å; G78-H82 PolarHBondContact O-ND1 3.18Å; L79-H82 PolarHBondContact O-N 3.06Å; H82-F84 VanDerWaalsContact C-N 3.34Å; H82-F84 PolarHBondContact O-N 3.31Å; H82-L85 PolarHBondContact O-N 2.62Å; H82-A86 VanDerWaalsContact O-CB 3.32Å; H82-A86 WeakPolarHBondContact O-CB 3.27Å; H82-A86 PolarHBondContact O-N 3.31Å; H82-S277 WeakPolarHBondContact CE1-CB 3.48Å; H82-S277 PolarHBondContact CE1-OG 3.05Å; H82-S277 VanDerWaalsContact CE1-OG 3.31Å
83K72.9Confident63.9Low116 Ų11680.6 Ų80.650%0.50441%0.405SS..Hα-helixtrans-61.9-39.7173.7-75.4-169.7172.8-166.40112.3L79 L108L79-K83 WeakPolarHBondContact O-CG 3.28Å; L79-K83 PolarHBondContact O-N 2.86Å; K83-L108 HydrophobicContact CB-CD2 3.8Å; K83-L108 HydrophobicContact CD-CD2 4.05Å
84F66.9Low62.5Low18 Ų1879.1 Ų79.18%0.07941%0.414CS..Hα-helixtrans-64.2-47.3174.4178.2-93.5000111.6L80 C81 H82 A86 R87 Y88 L101 V104 L108 L118L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 PolarHBondContact O-N 2.76Å; C81-F84 PolarHBondContact O-N 3.21Å; H82-F84 VanDerWaalsContact C-N 3.34Å; H82-F84 PolarHBondContact O-N 3.31Å; F84-A86 PolarHBondContact O-N 2.92Å; F84-R87 PolarHBondContact O-N 3.24Å; F84-Y88 HydrophobicContact CD1-CE2 4.14Å; F84-Y88 HydrophobicContact CE1-CD2 4.34Å; F84-Y88 AromaticContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE2-CE2 4.04Å; F84-Y88 AromaticContact CZ-CE2 3.52Å; F84-Y88 HydrophobicContact CZ-CE2 3.52Å; F84-Y88 AromaticContact CZ-CZ 3.98Å; F84-Y88 WeakPolarHBondContact O-CD2 3.18Å; F84-L101 HydrophobicContact CE2-CD2 4.13Å; F84-L101 HydrophobicContact CZ-CD2 4.29Å; F84-V104 HydrophobicContact CD2-CG1 3.87Å; F84-V104 HydrophobicContact CE2-CG1 4.27Å; F84-L108 HydrophobicContact CB-CD1 4.3Å; F84-L118 HydrophobicContact CB-CD2 4.47Å; F84-L118 HydrophobicContact CD1-CD2 3.88Å; F84-L118 HydrophobicContact CD2-CD2 3.69Å; F84-L118 HydrophobicContact CE1-CD2 3.98Å; F84-L118 HydrophobicContact CE2-CD2 3.8Å; F84-L118 HydrophobicContact CG-CD2 3.74Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å
85L65.9Low61.4Low42 Ų4281.2 Ų81.222%0.2243%0.429CS..Hα-helixtrans-62.5-41.1178.3-70.7164.6000111.8C81 H82 R87 Y88 F142 L278C81-L85 WeakPolarHBondContact O-CB 3.41Å; C81-L85 WeakPolarHBondContact O-CD1 3.39Å; C81-L85 VanDerWaalsContact O-CG 3.23Å; C81-L85 WeakPolarHBondContact O-CG 3.44Å; C81-L85 PolarHBondContact O-N 3.41Å; H82-L85 PolarHBondContact O-N 2.62Å; L85-R87 PolarHBondContact O-N 3.44Å; L85-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 VanDerWaalsContact O-O 3.09Å; L85-F142 HydrophobicContact CD2-CE1 4.41Å; L85-L278 HydrophobicContact CD1-CD2 3.91Å; L85-L278 HydrophobicContact CD2-CD2 3.83Å; L85-L278 HydrophobicContact CG-CD2 4.45Å
86A71.2Confident59.8Low84 Ų8480.6 Ų80.669%0.69443%0.433SS*.THydrogen-bonded Turntrans-67.6-2.5177.500000115.1H82 F84H82-A86 VanDerWaalsContact O-CB 3.32Å; H82-A86 WeakPolarHBondContact O-CB 3.27Å; H82-A86 PolarHBondContact O-N 3.31Å; F84-A86 PolarHBondContact O-N 2.92Å
87R61.2Low58Low126 Ų12683.6 Ų83.648%0.47545%0.449SS..THydrogen-bonded Turntrans-89.6-11167.6-67.4-61.9-120.9156.3-0.2113.2F84 L85 I99 E107F84-R87 PolarHBondContact O-N 3.24Å; L85-R87 PolarHBondContact O-N 3.44Å; R87-I99 WeakPolarHBondContact O-CD1 3.38Å; R87-E107 IonicContact CZ-OE1 3.04Å; R87-E107 IonicContact CZ-OE2 2.65Å; R87-E107 VanDerWaalsContact CZ-OE2 3.3Å; R87-E107 IonicContact NE-OE2 3.59Å; R87-E107 PolarHBondContact NE-OE2 2.87Å; R87-E107 IonicContact NH2-OE1 3.7Å; R87-E107 PolarHBondContact NH2-OE1 3.42Å; R87-E107 IonicContact NH2-OE2 2.84Å; R87-E107 PolarHBondContact NH2-OE2 3.29Å
88Y55.7Low56.5Low60 Ų6087.5 Ų87.524%0.23547%0.471CS..SBendtrans-102.2120.8170.5-62.5-87.4000108.3F84 L85 I99F84-Y88 HydrophobicContact CD1-CE2 4.14Å; F84-Y88 HydrophobicContact CE1-CD2 4.34Å; F84-Y88 AromaticContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE1-CE2 3.58Å; F84-Y88 HydrophobicContact CE2-CE2 4.04Å; F84-Y88 AromaticContact CZ-CE2 3.52Å; F84-Y88 HydrophobicContact CZ-CE2 3.52Å; F84-Y88 AromaticContact CZ-CZ 3.98Å; F84-Y88 WeakPolarHBondContact O-CD2 3.18Å; L85-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 VanDerWaalsContact O-O 3.09Å; Y88-I99 HydrophobicContact CD1-CD1 4.47Å; Y88-I99 HydrophobicContact CE1-CD1 4.39Å
89P54.6Low55.6Low69 Ų6989.4 Ų89.445%0.44848%0.476SS..  trans-67.3147.8174.329.8-34.8000110.2Y91 P92 N143P89-Y91 PolarHBondContact O-N 3.38Å; P89-Y91 VanDerWaalsContact O-N 3.16Å; P89-P92 HydrophobicContact CG-CB 4.32Å; P89-N143 PolarHBondContact O-ND2 2.91Å
90D45.4Very low54.4Low159 Ų15989 Ų8985%0.8548%0.479SS*.SBendtrans-62.9-19.6176.8-65-67.2000112.6N143D90-N143 PolarHBondContact O-ND2 3.19Å
91Y39.1Very low53.4Low180 Ų18091.5 Ų91.571%0.70649%0.491SS*.SBendtrans-134.2112.6169.6-166.3-93.2000109.2P89P89-Y91 PolarHBondContact O-N 3.38Å; P89-Y91 VanDerWaalsContact O-N 3.16Å
92P47.5Very low52.7Low41 Ų4196.6 Ų96.627%0.26652%0.518SS..  trans-89.4115.4174.331.8-22.4000108.8P89P89-P92 HydrophobicContact CG-CB 4.32Å
93D37.8Very low52.1Low129 Ų12997.3 Ų97.369%0.6953%0.525SS*.  trans-58.7145.6164.5-73.7-46.2000109.5V95D93-V95 PolarHBondContact O-N 2.79Å
94S43.5Very low51.3Low124 Ų12492.2 Ų92.287%0.86750%0.504SS*.SBendtrans-72.323.8-160.149.20000116.3
95V42.6Very low50.7Low119 Ų11992.1 Ų92.172%0.72151%0.507SS*.SBendtrans-108.777.8-179.9-172.40000110.5D93 T97D93-V95 PolarHBondContact O-N 2.79Å; V95-T97 PolarHBondContact O-N 3.12Å
96L43.3Very low50.2Low145 Ų14595.7 Ų95.776%0.75953%0.53SS*.  trans19.566.2155.8-62.7175.2000117.2D98L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.02Å
97T40.5Very low49.4Very low100 Ų10096.9 Ų96.961%0.61352%0.521SS*.  trans-77.782.5163.856.60000109.3V95 I99V95-T97 PolarHBondContact O-N 3.12Å; T97-I99 PolarHBondContact O-N 3.23Å
98D40.9Very low49.1Very low117 Ų11792.1 Ų92.163%0.62651%0.505SS*.  trans-68.275.4169.3-88.4-33.9000110L96 C100 H140L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.02Å; D98-C100 PolarHBondContact O-N 3.27Å; D98-H140 IonicContact OD1-CE1 3.06Å; D98-H140 IonicContact OD1-ND1 3.25Å
99I51.2Low48.4Very low55 Ų5594.7 Ų94.728%0.28253%0.532SS..  trans-67.897.5175.8-61.1175.5000107.9R87 Y88 T97 L101 V104R87-I99 WeakPolarHBondContact O-CD1 3.38Å; Y88-I99 HydrophobicContact CD1-CD1 4.47Å; Y88-I99 HydrophobicContact CE1-CD1 4.39Å; T97-I99 PolarHBondContact O-N 3.23Å; I99-L101 PolarHBondContact O-N 2.65Å; I99-V104 HydrophobicContact CG2-CG2 3.36Å
100C50.8Low48Very low58 Ų5892.7 Ų92.739%0.39252%0.519SS..  trans-61125.2178.5-172.80000110.2D98 D102 D103 V104D98-C100 PolarHBondContact O-N 3.27Å; C100-D102 PolarHBondContact O-N 3Å; C100-D103 HydrophobicContact CB-CB 4.48Å; C100-D103 WeakPolarHBondContact CB-OD2 3.42Å; C100-D103 PolarHBondContact O-N 3.43Å; C100-D103 VanDerWaalsContact O-N 3.14Å; C100-V104 PolarHBondContact O-N 3.05Å
101L53.3Low48.2Very low79 Ų7989.1 Ų89.141%0.41451%0.506SS..Hα-helixtrans-62.6-24.7-178.5-66.3175.3000112.6F84 I99 A105F84-L101 HydrophobicContact CE2-CD2 4.13Å; F84-L101 HydrophobicContact CZ-CD2 4.29Å; I99-L101 PolarHBondContact O-N 2.65Å; L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.1Å
102D55.1Low48.6Very low114 Ų11483.7 Ų83.761%0.6150%0.499SS*.Hα-helixtrans-74.8-33178.5-64.9-40.1000112.1C100 A105 T106C100-D102 PolarHBondContact O-N 3Å; D102-A105 PolarHBondContact O-N 2.84Å; D102-T106 VanDerWaalsContact O-CB 3.32Å; D102-T106 WeakPolarHBondContact O-CB 3.46Å; D102-T106 WeakPolarHBondContact O-CG2 3.39Å; D102-T106 PolarHBondContact O-N 3.39Å
103D55.2Low48.4Very low108 Ų10885.9 Ų85.958%0.57850%0.504SS*.Hα-helixtrans-70.2-44.9175.3-65.5-38.9000111C100 A105 T106 E107C100-D103 HydrophobicContact CB-CB 4.48Å; C100-D103 WeakPolarHBondContact CB-OD2 3.42Å; C100-D103 PolarHBondContact O-N 3.43Å; C100-D103 VanDerWaalsContact O-N 3.14Å; D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.9Å; D103-T106 WeakPolarHBondContact O-CB 3.44Å; D103-T106 PolarHBondContact O-N 2.87Å; D103-E107 WeakPolarHBondContact O-CB 3.24Å; D103-E107 PolarHBondContact O-N 3.08Å
104V56.2Low48.9Very low9 Ų981.9 Ų81.96%0.05548%0.482CS..Hα-helixtrans-63.9-34.9173.5179.20000111.3F84 I99 C100 L108F84-V104 HydrophobicContact CD2-CG1 3.87Å; F84-V104 HydrophobicContact CE2-CG1 4.27Å; I99-V104 HydrophobicContact CG2-CG2 3.36Å; C100-V104 PolarHBondContact O-N 3.05Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.25Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 2.95Å
105A53.6Low49.2Very low17 Ų1779.6 Ų79.614%0.1446%0.458CS..Hα-helixtrans-67.9-38.4174.800000113L101 D102 D103 S109 Q115L101-A105 WeakPolarHBondContact O-CB 3.44Å; L101-A105 PolarHBondContact O-N 3.1Å; D102-A105 PolarHBondContact O-N 2.84Å; D103-A105 VanDerWaalsContact C-N 3.29Å; D103-A105 PolarHBondContact O-N 2.9Å; A105-S109 PolarHBondContact O-N 2.63Å; A105-Q115 HydrophobicContact CB-CG 4.24Å
106T55.6Low49.5Very low116 Ų11678.4 Ų78.471%0.71245%0.447SS*.Hα-helixtrans-62.1-52.2173.5148.70000110.8D102 D103 L108 S109D102-T106 VanDerWaalsContact O-CB 3.32Å; D102-T106 WeakPolarHBondContact O-CB 3.46Å; D102-T106 WeakPolarHBondContact O-CG2 3.39Å; D102-T106 PolarHBondContact O-N 3.39Å; D103-T106 WeakPolarHBondContact O-CB 3.44Å; D103-T106 PolarHBondContact O-N 2.87Å; T106-L108 PolarHBondContact O-N 3.41Å; T106-S109 PolarHBondContact O-N 2.83Å
107E54.2Low49.8Very low109 Ų10971.7 Ų71.751%0.50941%0.412SS..Hα-helixtrans-64.2-40.7-180-176.4-179.7-135.700113.1R87 D103 S109R87-E107 IonicContact CZ-OE1 3.04Å; R87-E107 IonicContact CZ-OE2 2.65Å; R87-E107 VanDerWaalsContact CZ-OE2 3.3Å; R87-E107 IonicContact NE-OE2 3.59Å; R87-E107 PolarHBondContact NE-OE2 2.87Å; R87-E107 IonicContact NH2-OE1 3.7Å; R87-E107 PolarHBondContact NH2-OE1 3.42Å; R87-E107 IonicContact NH2-OE2 2.84Å; R87-E107 PolarHBondContact NH2-OE2 3.29Å; D103-E107 WeakPolarHBondContact O-CB 3.24Å; D103-E107 PolarHBondContact O-N 3.08Å; E107-S109 PolarHBondContact O-N 2.97Å
108L54.5Low50.3Low26 Ų2668.8 Ų68.814%0.13639%0.393CS..THydrogen-bonded Turntrans-76.7-4.5-178.8-68.4177.6000114.1K83 F84 V104 T106 T110K83-L108 HydrophobicContact CB-CD2 3.8Å; K83-L108 HydrophobicContact CD-CD2 4.05Å; F84-L108 HydrophobicContact CB-CD1 4.3Å; V104-L108 HydrophobicContact CG1-CD1 3.72Å; V104-L108 HydrophobicContact CG1-CG 4.22Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.45Å; V104-L108 VanDerWaalsContact O-CG 3.25Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 2.95Å; T106-L108 PolarHBondContact O-N 3.41Å; L108-T110 HydrophobicContact CB-CG2 4.1Å; L108-T110 WeakPolarHBondContact O-CG2 3.19Å; L108-T110 PolarHBondContact O-N 3.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å
109S42.2Very low50.8Low114 Ų11467.7 Ų67.780%0.79738%0.384SS*.THydrogen-bonded Turntrans55.725.5177.771.60000115.3A105 T106 E107A105-S109 PolarHBondContact O-N 2.63Å; T106-S109 PolarHBondContact O-N 2.83Å; E107-S109 PolarHBondContact O-N 2.97Å
110T45.5Very low50.6Low28 Ų2865.8 Ų65.817%0.17237%0.374CS..  trans-90.2136-173.663.80000113.1L80 L108 L114 Q115L80-T110 HydrophobicContact CD1-CG2 3.73Å; L80-T110 HydrophobicContact CD2-CG2 3.69Å; L80-T110 HydrophobicContact CG-CG2 4.27Å; L108-T110 HydrophobicContact CB-CG2 4.1Å; L108-T110 WeakPolarHBondContact O-CG2 3.19Å; L108-T110 PolarHBondContact O-N 3.04Å; L108-T110 VanDerWaalsContact O-N 3.13Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; T110-Q115 PolarHBondContact O-NE2 3.46Å
111S49.9Very low50.5Low84 Ų8464 Ų6459%0.58736%0.363SS*.  trans-64.6146.9172.261.80000111.5F113 L114S111-F113 PolarHBondContact O-N 3.29Å; S111-L114 PolarHBondContact O-N 2.83Å
112A47.1Very low50.4Low66 Ų6662.3 Ų62.355%0.54536%0.356SS..Hα-helixtrans-54.5-17-172.200000115.5L116A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å
113F42.5Very low50Low87 Ų8761.6 Ų61.638%0.38235%0.347SS..Hα-helixtrans-62.1-40.1170.8-173.6-94.2000112.9S111 L116 V117 R267S111-F113 PolarHBondContact O-N 3.29Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-V117 HydrophobicContact CD1-CG2 4.1Å; F113-V117 HydrophobicContact CE1-CG2 3.47Å; F113-V117 VanDerWaalsContact CE1-CG2 3.47Å; F113-V117 HydrophobicContact CZ-CG2 3.77Å; F113-V117 WeakPolarHBondContact O-CG2 3.48Å; F113-V117 PolarHBondContact O-N 3.33Å; F113-R267 VanDerWaalsContact CE1-NH1 3.32Å; F113-R267 VanDerWaalsContact CZ-NH1 3.31Å
114L49.9Very low49.6Very low44 Ų4456.9 Ų56.923%0.2332%0.322CS..Hα-helixtrans-75.7-38.4-178.8-62.1-174.8000112L77 L80 T110 S111 L116 V117 L118L77-L114 HydrophobicContact CD1-CD2 4.29Å; L80-L114 HydrophobicContact CD1-CD1 3.74Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; S111-L114 PolarHBondContact O-N 2.83Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.1Å; L114-V117 PolarHBondContact O-N 2.79Å; L114-V117 VanDerWaalsContact O-N 3.14Å; L114-L118 PolarHBondContact O-N 3.48Å
115Q48.9Very low49.4Very low76 Ų7658 Ų5836%0.35533%0.329SS..Hα-helixtrans-53.4-47.9168.4-60.5164.82.500110.3A105 T110 V117 L118 H119A105-Q115 HydrophobicContact CB-CG 4.24Å; T110-Q115 PolarHBondContact O-NE2 3.46Å; Q115-V117 PolarHBondContact O-N 2.79Å; Q115-L118 PolarHBondContact O-N 2.68Å; Q115-H119 WeakPolarHBondContact O-CB 3.24Å; Q115-H119 PolarHBondContact O-N 3.31Å
116L49.4Very low48.9Very low95 Ų9562 Ų6250%0.49734%0.344SS..Hα-helixtrans-62.8-39.2177.2-176.765000112.5A112 F113 L114 I120A112-L116 WeakPolarHBondContact O-CB 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å; F113-L116 PolarHBondContact O-N 3.1Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.1Å; L116-I120 HydrophobicContact CD1-CD1 3.88Å; L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.18Å; L116-I120 WeakPolarHBondContact O-CG1 3.15Å; L116-I120 PolarHBondContact O-N 3.04Å
117V49Very low48.3Very low4 Ų462.2 Ų62.22%0.02434%0.335CS..Hα-helixtrans-62.2-49.2175.1170.10000111.1F113 L114 Q115 I120 A121 L219F113-V117 HydrophobicContact CD1-CG2 4.1Å; F113-V117 HydrophobicContact CE1-CG2 3.47Å; F113-V117 VanDerWaalsContact CE1-CG2 3.47Å; F113-V117 HydrophobicContact CZ-CG2 3.77Å; F113-V117 WeakPolarHBondContact O-CG2 3.48Å; F113-V117 PolarHBondContact O-N 3.33Å; L114-V117 PolarHBondContact O-N 2.79Å; L114-V117 VanDerWaalsContact O-N 3.14Å; Q115-V117 PolarHBondContact O-N 2.79Å; V117-I120 PolarHBondContact O-N 2.92Å; V117-A121 PolarHBondContact O-N 3.31Å; V117-L219 HydrophobicContact CB-CD2 4.18Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å
118L50.3Low47.5Very low39 Ų3959.3 Ų59.320%0.20432%0.322CS..Hα-helixtrans-67.6-49.2-178.1-175.363.1000111.4F84 L114 Q115 I120 A121 V122F84-L118 HydrophobicContact CB-CD2 4.47Å; F84-L118 HydrophobicContact CD1-CD2 3.88Å; F84-L118 HydrophobicContact CD2-CD2 3.69Å; F84-L118 HydrophobicContact CE1-CD2 3.98Å; F84-L118 HydrophobicContact CE2-CD2 3.8Å; F84-L118 HydrophobicContact CG-CD2 3.74Å; F84-L118 HydrophobicContact CZ-CD2 3.94Å; L114-L118 PolarHBondContact O-N 3.48Å; Q115-L118 PolarHBondContact O-N 2.68Å; L118-I120 PolarHBondContact O-N 3.48Å; L118-A121 PolarHBondContact O-N 3.02Å; L118-A121 VanDerWaalsContact O-N 3.1Å; L118-V122 HydrophobicContact CD1-CG2 4.06Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CB 3.43Å; L118-V122 WeakPolarHBondContact O-CG2 3.1Å; L118-V122 PolarHBondContact O-N 3.47Å
119H51.5Low46.9Very low94 Ų9459 Ų5944%0.43532%0.323SS..Hα-helixtrans-59.5-30.4173.9-170.9107.9000112.3Q115 K123Q115-H119 WeakPolarHBondContact O-CB 3.24Å; Q115-H119 PolarHBondContact O-N 3.31Å; H119-K123 PolarHBondContact NE2-NZ 2.83Å; H119-K123 VanDerWaalsContact O-CB 3.28Å; H119-K123 WeakPolarHBondContact O-CB 3.43Å; H119-K123 PolarHBondContact O-N 3.31Å
120I47.4Very low46.6Very low15 Ų1556.9 Ų56.98%0.07731%0.305CS..Hα-helixtrans-70-55.6169.6-78.1174.2000110.8L116 V117 L118 V122 K123 T124 L219 R220L116-I120 HydrophobicContact CD1-CD1 3.88Å; L116-I120 HydrophobicContact CD1-CG1 4.22Å; L116-I120 HydrophobicContact CG-CD1 3.9Å; L116-I120 WeakPolarHBondContact O-CB 3.18Å; L116-I120 WeakPolarHBondContact O-CG1 3.15Å; L116-I120 PolarHBondContact O-N 3.04Å; V117-I120 PolarHBondContact O-N 2.92Å; L118-I120 PolarHBondContact O-N 3.48Å; I120-V122 PolarHBondContact O-N 2.84Å; I120-K123 PolarHBondContact O-N 3.41Å; I120-T124 WeakPolarHBondContact O-CB 3.5Å; I120-T124 PolarHBondContact O-N 3.06Å; I120-T124 PolarHBondContact O-OG1 2.89Å; I120-T124 VanDerWaalsContact O-OG1 3.05Å; I120-L219 HydrophobicContact CB-CD2 4.48Å; I120-L219 HydrophobicContact CD1-CB 4.13Å; I120-L219 HydrophobicContact CD1-CD2 4.37Å; I120-L219 HydrophobicContact CG2-CB 4.22Å; I120-L219 HydrophobicContact CG2-CD2 4.22Å; I120-L219 HydrophobicContact CG2-CG 4.17Å; I120-R220 VanDerWaalsContact CG2-CA 3.45Å; I120-R220 HydrophobicContact CG2-CB 3.84Å; I120-R220 PolarHBondContact O-NH1 2.89Å
121A49.5Very low46.3Very low20 Ų2060.3 Ų60.317%0.16532%0.321CS..Hα-helixtrans-55.7-54-178.700000111.8V117 L118 K123 T124 V125V117-A121 PolarHBondContact O-N 3.31Å; L118-A121 PolarHBondContact O-N 3.02Å; L118-A121 VanDerWaalsContact O-N 3.1Å; A121-K123 PolarHBondContact O-N 2.83Å; A121-T124 WeakPolarHBondContact O-CB 3.39Å; A121-T124 PolarHBondContact O-N 3.29Å; A121-V125 WeakPolarHBondContact O-CG2 3.19Å; A121-V125 PolarHBondContact O-N 2.91Å
122V49.9Very low45.8Very low43 Ų4361.5 Ų61.526%0.26132%0.32SS..Hα-helixtrans-57.8-52.1179174.90000111L118 I120 T124 V125 F126 F142L118-V122 HydrophobicContact CD1-CG2 4.06Å; L118-V122 HydrophobicContact CG-CG2 4.33Å; L118-V122 WeakPolarHBondContact O-CB 3.43Å; L118-V122 WeakPolarHBondContact O-CG2 3.1Å; L118-V122 PolarHBondContact O-N 3.47Å; I120-V122 PolarHBondContact O-N 2.84Å; V122-T124 PolarHBondContact O-N 3.42Å; V122-V125 PolarHBondContact O-N 3.3Å; V122-F126 WeakPolarHBondContact O-CB 3.37Å; V122-F126 PolarHBondContact O-N 3.42Å; V122-F142 HydrophobicContact CG1-CE2 4.08Å; V122-F142 HydrophobicContact CG2-CE2 4.37Å
123K47.9Very low45.1Very low100 Ų10060.4 Ų60.444%0.43531%0.307SS..Hα-helixtrans-70.7-10177.1-68-169.8178.3174.80114.6H119 I120 A121 K127 R220H119-K123 PolarHBondContact NE2-NZ 2.83Å; H119-K123 VanDerWaalsContact O-CB 3.28Å; H119-K123 WeakPolarHBondContact O-CB 3.43Å; H119-K123 PolarHBondContact O-N 3.31Å; I120-K123 PolarHBondContact O-N 3.41Å; A121-K123 PolarHBondContact O-N 2.83Å; K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.15Å; K123-R220 VanDerWaalsContact C-NH1 3.26Å
124T46.8Very low45.1Very low8 Ų864.4 Ų64.45%0.04933%0.327CS..Hα-helixtrans-79.6-52.8168.5-66.90000109.1I120 A121 V122 K127 M128 R220 S223 Q224I120-T124 WeakPolarHBondContact O-CB 3.5Å; I120-T124 PolarHBondContact O-N 3.06Å; I120-T124 PolarHBondContact O-OG1 2.89Å; I120-T124 VanDerWaalsContact O-OG1 3.05Å; A121-T124 WeakPolarHBondContact O-CB 3.39Å; A121-T124 PolarHBondContact O-N 3.29Å; V122-T124 PolarHBondContact O-N 3.42Å; T124-K127 PolarHBondContact O-N 2.74Å; T124-M128 WeakPolarHBondContact O-CG 3.11Å; T124-M128 PolarHBondContact O-N 3.21Å; T124-R220 WeakPolarHBondContact OG1-CG 3.2Å; T124-R220 PolarHBondContact OG1-NH1 3.34Å; T124-R220 PolarHBondContact OG1-O 2.81Å; T124-S223 PolarHBondContact OG1-OG 3.45Å; T124-Q224 HydrophobicContact CG2-CB 3.71Å; T124-Q224 HydrophobicContact CG2-CG 4.33Å
125V50.6Low44.5Very low33 Ų3369.5 Ų69.520%0.235%0.354CS..Hα-helixtrans-57.1-51.5177.9173.40000110.2A121 V122 K127 M128 A129 M145 F149A121-V125 WeakPolarHBondContact O-CG2 3.19Å; A121-V125 PolarHBondContact O-N 2.91Å; V122-V125 PolarHBondContact O-N 3.3Å; V125-K127 PolarHBondContact O-N 3.33Å; V125-M128 PolarHBondContact O-N 3.14Å; V125-M128 VanDerWaalsContact O-N 3.12Å; V125-A129 PolarHBondContact O-N 3.17Å; V125-M145 HydrophobicContact CG1-SD 3.91Å; V125-F149 HydrophobicContact CG1-CD2 4.24Å; V125-F149 HydrophobicContact CG1-CE2 3.39Å; V125-F149 HydrophobicContact CG1-CZ 3.64Å
126F44.9Very low43.8Very low102 Ų10271.4 Ų71.445%0.44737%0.371SS..Hα-helixtrans-57.9-42.9174.9-173.4-93.8000112.8V122 M128 A129 V130V122-F126 WeakPolarHBondContact O-CB 3.37Å; V122-F126 PolarHBondContact O-N 3.42Å; F126-M128 VanDerWaalsContact C-N 3.34Å; F126-M128 PolarHBondContact O-N 3.05Å; F126-A129 PolarHBondContact O-N 3.18Å; F126-V130 HydrophobicContact CD1-CG2 4.02Å; F126-V130 HydrophobicContact CE1-CG2 3.77Å; F126-V130 HydrophobicContact CZ-CG2 4.09Å; F126-V130 WeakPolarHBondContact O-CB 3.37Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.2Å; F126-V130 PolarHBondContact O-N 2.82Å
127K41.5Very low43.5Very low119 Ų11972.4 Ų72.452%0.51738%0.381SS..Hα-helixtrans-74.5-21.5177.9-167.6168.8178.872.70113.3K123 T124 V125 I131K123-K127 WeakPolarHBondContact O-CB 3.44Å; K123-K127 PolarHBondContact O-N 3.15Å; T124-K127 PolarHBondContact O-N 2.74Å; V125-K127 PolarHBondContact O-N 3.33Å; K127-I131 HydrophobicContact CG-CD1 4.01Å; K127-I131 HydrophobicContact CG-CG1 4.4Å; K127-I131 WeakPolarHBondContact O-CB 3.37Å; K127-I131 WeakPolarHBondContact O-CD1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.43Å; K127-I131 PolarHBondContact O-N 3.11Å
128M39.1Very low43Very low48 Ų4879 Ų7924%0.23642%0.416CS..Hα-helixtrans-71.9-44168.2-66.8-60.293.900110.6T124 V125 F126 I131 L132 Q224T124-M128 WeakPolarHBondContact O-CG 3.11Å; T124-M128 PolarHBondContact O-N 3.21Å; V125-M128 PolarHBondContact O-N 3.14Å; V125-M128 VanDerWaalsContact O-N 3.12Å; F126-M128 VanDerWaalsContact C-N 3.34Å; F126-M128 PolarHBondContact O-N 3.05Å; M128-I131 HydrophobicContact CE-CD1 4.05Å; M128-I131 PolarHBondContact O-N 3.02Å; M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.43Å; M128-Q224 HydrophobicContact CE-CG 4.18Å; M128-Q224 HydrophobicContact SD-CG 3.8Å; M128-Q224 PolarHBondContact SD-NE2 3.02Å
129A40Very low42.3Very low19 Ų1982.9 Ų82.916%0.15743%0.432CS..Hα-helixtrans-58-51.6172.700000112V125 F126 I131 L132 T133 F149V125-A129 PolarHBondContact O-N 3.17Å; F126-A129 PolarHBondContact O-N 3.18Å; A129-I131 PolarHBondContact O-N 3.08Å; A129-L132 WeakPolarHBondContact O-CA 3.48Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3.33Å; A129-T133 PolarHBondContact O-N 2.85Å; A129-T133 PolarHBondContact O-OG1 3.12Å; A129-F149 HydrophobicContact CB-CE2 3.97Å
130V36.9Very low41.8Very low70 Ų7085.7 Ų85.742%0.42445%0.445SS..Hα-helixtrans-64.7-21-179.2171.80000113.7F126 T133F126-V130 HydrophobicContact CD1-CG2 4.02Å; F126-V130 HydrophobicContact CE1-CG2 3.77Å; F126-V130 HydrophobicContact CZ-CG2 4.09Å; F126-V130 WeakPolarHBondContact O-CB 3.37Å; F126-V130 VanDerWaalsContact O-CG2 3.31Å; F126-V130 WeakPolarHBondContact O-CG2 3.2Å; F126-V130 PolarHBondContact O-N 2.82Å; V130-T133 WeakPolarHBondContact CA-OG1 3.27Å
131I39.4Very low41.4Very low101 Ų10188.3 Ų88.352%0.51846%0.459SS..Hα-helixtrans-80.8-22.5172.9-75.6171.3000111.9K127 M128 A129K127-I131 HydrophobicContact CG-CD1 4.01Å; K127-I131 HydrophobicContact CG-CG1 4.4Å; K127-I131 WeakPolarHBondContact O-CB 3.37Å; K127-I131 WeakPolarHBondContact O-CD1 3.3Å; K127-I131 WeakPolarHBondContact O-CG1 3.43Å; K127-I131 PolarHBondContact O-N 3.11Å; M128-I131 HydrophobicContact CE-CD1 4.05Å; M128-I131 PolarHBondContact O-N 3.02Å; A129-I131 PolarHBondContact O-N 3.08Å
132L38.3Very low41.1Very low108 Ų10889.3 Ų89.357%0.56546%0.459SS*.Hα-helixtrans-86.4-30174.5-63.7169.8000112M128 A129 Q134M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.43Å; A129-L132 WeakPolarHBondContact O-CA 3.48Å; A129-L132 WeakPolarHBondContact O-CB 3.32Å; A129-L132 PolarHBondContact O-N 3.33Å; L132-Q134 PolarHBondContact O-N 2.78Å
133T33.9Very low40.5Very low43 Ų4388.6 Ų88.626%0.26445%0.454SS..  trans-91.978.717561.10000111.7A129 V130 M148 Y152A129-T133 PolarHBondContact O-N 2.85Å; A129-T133 PolarHBondContact O-OG1 3.12Å; V130-T133 WeakPolarHBondContact CA-OG1 3.27Å; T133-M148 HydrophobicContact CG2-CE 4.26Å; T133-Y152 HydrophobicContact CG2-CE2 4.08Å
134Q41.3Very low40.1Very low171 Ų17188.3 Ų88.380%0.79945%0.453SS*.  trans-63.7134.3155.3-82.2-169.3-19.500108.6L132L132-Q134 PolarHBondContact O-N 2.78Å
135N36.9Very low39.8Very low152 Ų15288.9 Ų88.981%0.81346%0.455SS*.SBendtrans67.788.2-173-44.7-39.9000114.2
136V34.4Very low39.4Very low116 Ų11690.9 Ų90.970%0.70347%0.465SS*.  -175.6132.9113.51500000106.8
137T44.1Very low39.1Very low115 Ų11591.5 Ų91.571%0.70647%0.472SS*.  trans-81.2155.8166.649.90000109.5
138D37.4Very low38.7Very low143 Ų14388.6 Ų88.677%0.76546%0.461SS*.  trans71.596.3169.6-40.4-51.7000114.9
139F35.6Very low38.7Very low120 Ų12089.4 Ų89.453%0.52646%0.463SS..  trans-152.7141158.7-112.8-74000110.5F144F139-F144 HydrophobicContact CD1-CD1 4.47Å; F139-F144 HydrophobicContact CE1-CG 4.41Å
140H41.5Very low38.6Very low154 Ų15490.6 Ų90.671%0.71347%0.47SS*.  trans-112.4-3.5-173.8-108.3-131.4000114.1D98D98-H140 IonicContact OD1-CE1 3.06Å; D98-H140 IonicContact OD1-ND1 3.25Å
141D39.5Very low38.5Very low70 Ų7090 Ų9037%0.37447%0.469SS..  trans-98.2123.9-163-63.1-76.3000115.8N143 F144 M145D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 3.02Å; D141-F144 HydrophobicContact CB-CB 3.86Å; D141-M145 PolarHBondContact O-N 3.12Å; D141-M145 VanDerWaalsContact O-N 3.17Å
142F42.7Very low38.5Very low40 Ų4089.1 Ų89.118%0.17546%0.46CS..Hα-helixtrans-68.6-32.4175.6-153.6-84.4000112.2L85 V122 M145 L146L85-F142 HydrophobicContact CD2-CE1 4.41Å; V122-F142 HydrophobicContact CG1-CE2 4.08Å; V122-F142 HydrophobicContact CG2-CE2 4.37Å; F142-M145 HydrophobicContact CD1-CE 3.96Å; F142-M145 HydrophobicContact CD2-CE 3.64Å; F142-M145 HydrophobicContact CE1-CE 3.85Å; F142-M145 HydrophobicContact CE2-CE 3.53Å; F142-M145 HydrophobicContact CG-CE 3.86Å; F142-M145 HydrophobicContact CZ-CE 3.64Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.07Å; F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 4.16Å; F142-L146 HydrophobicContact CE1-CD2 4.49Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 WeakPolarHBondContact O-CG 3.4Å; F142-L146 PolarHBondContact O-N 2.8Å
143N37.8Very low38.6Very low28 Ų2886.7 Ų86.715%0.1545%0.452CS..Hα-helixtrans-78.2-33.7178.6-68-38.5000112.6P89 D90 D141 M145 L146 I147P89-N143 PolarHBondContact O-ND2 2.91Å; D90-N143 PolarHBondContact O-ND2 3.19Å; D141-N143 VanDerWaalsContact C-N 3.34Å; D141-N143 PolarHBondContact O-N 3.02Å; N143-M145 VanDerWaalsContact C-N 3.25Å; N143-M145 PolarHBondContact O-N 2.96Å; N143-L146 PolarHBondContact O-N 2.81Å; N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 VanDerWaalsContact O-CG1 3.26Å; N143-I147 WeakPolarHBondContact O-CG1 3.48Å; N143-I147 PolarHBondContact O-N 3.41Å
144F40.3Very low38.7Very low95 Ų9588.9 Ų88.942%0.41746%0.462SS..Hα-helixtrans-61.8-38.3167.6-163.3-97000110.7F139 D141 M148F139-F144 HydrophobicContact CD1-CD1 4.47Å; F139-F144 HydrophobicContact CE1-CG 4.41Å; D141-F144 HydrophobicContact CB-CB 3.86Å; F144-M148 HydrophobicContact CD1-CG 3.82Å; F144-M148 HydrophobicContact CE1-CE 4.13Å; F144-M148 HydrophobicContact CE1-CG 3.61Å; F144-M148 HydrophobicContact CE1-SD 4.16Å; F144-M148 HydrophobicContact CZ-CG 4.15Å; F144-M148 HydrophobicContact CZ-SD 4.29Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.36Å; F144-M148 PolarHBondContact O-N 3.15Å
145M40Very low38.4Very low19 Ų1984.3 Ų84.39%0.09444%0.443CS..Hα-helixtrans-63.7-40172.9-172.5-104-58.200112.9V125 D141 F142 N143 F149V125-M145 HydrophobicContact CG1-SD 3.91Å; D141-M145 PolarHBondContact O-N 3.12Å; D141-M145 VanDerWaalsContact O-N 3.17Å; F142-M145 HydrophobicContact CD1-CE 3.96Å; F142-M145 HydrophobicContact CD2-CE 3.64Å; F142-M145 HydrophobicContact CE1-CE 3.85Å; F142-M145 HydrophobicContact CE2-CE 3.53Å; F142-M145 HydrophobicContact CG-CE 3.86Å; F142-M145 HydrophobicContact CZ-CE 3.64Å; F142-M145 WeakPolarHBondContact O-CB 3.42Å; F142-M145 PolarHBondContact O-N 3.07Å; N143-M145 VanDerWaalsContact C-N 3.25Å; N143-M145 PolarHBondContact O-N 2.96Å; M145-F149 HydrophobicContact CG-CD2 4.23Å; M145-F149 HydrophobicContact CG-CE2 4.5Å; M145-F149 WeakPolarHBondContact O-CB 3.5Å; M145-F149 WeakPolarHBondContact O-CD2 3.43Å; M145-F149 PolarHBondContact O-N 3.05Å; M145-F149 HydrophobicContact SD-CD2 3.82Å; M145-F149 HydrophobicContact SD-CE2 4.01Å
146L41.3Very low38.7Very low76 Ų7681 Ų8140%0.39842%0.422SS..Hα-helixtrans-69.9-42.8175.4-72.5175.4000113.2F142 N143 F149 S150F142-L146 HydrophobicContact CD1-CD1 3.99Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 4.16Å; F142-L146 HydrophobicContact CE1-CD2 4.49Å; F142-L146 HydrophobicContact CE1-CG 4.26Å; F142-L146 WeakPolarHBondContact O-CG 3.4Å; F142-L146 PolarHBondContact O-N 2.8Å; N143-L146 PolarHBondContact O-N 2.81Å; L146-F149 CarbonylContact O-C 3.6Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.28Å; L146-S150 PolarHBondContact O-N 3.12Å
147I39.3Very low39Very low115 Ų11581.9 Ų81.959%0.5942%0.416SS*.Hα-helixtrans-63.8-43.4176.5-68165000110.2N143 S150 S151N143-I147 WeakPolarHBondContact O-CB 3.37Å; N143-I147 VanDerWaalsContact O-CG1 3.26Å; N143-I147 WeakPolarHBondContact O-CG1 3.48Å; N143-I147 PolarHBondContact O-N 3.41Å; I147-S150 WeakPolarHBondContact O-CB 3.49Å; I147-S150 PolarHBondContact O-N 3.06Å; I147-S151 PolarHBondContact O-N 3.32Å
148M33.2Very low38.8Very low58 Ų5883.4 Ų83.429%0.28642%0.419SS..Hα-helixtrans-63.1-40.8171.7-72.2-71.7-97.300111.5T133 F144 S150 S151 Y152T133-M148 HydrophobicContact CG2-CE 4.26Å; F144-M148 HydrophobicContact CD1-CG 3.82Å; F144-M148 HydrophobicContact CE1-CE 4.13Å; F144-M148 HydrophobicContact CE1-CG 3.61Å; F144-M148 HydrophobicContact CE1-SD 4.16Å; F144-M148 HydrophobicContact CZ-CG 4.15Å; F144-M148 HydrophobicContact CZ-SD 4.29Å; F144-M148 WeakPolarHBondContact O-CB 3.4Å; F144-M148 WeakPolarHBondContact O-CG 3.36Å; F144-M148 PolarHBondContact O-N 3.15Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.99Å; M148-S151 PolarHBondContact O-N 2.8Å; M148-Y152 HydrophobicContact CB-CD2 4.33Å; M148-Y152 HydrophobicContact CB-CE2 4.49Å; M148-Y152 HydrophobicContact CE-CE2 3.95Å; M148-Y152 WeakPolarHBondContact O-CB 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.63Å; M148-Y152 HydrophobicContact SD-CE2 4.42Å
149F38.4Very low39Very low64 Ų6480.8 Ų80.828%0.28140%0.404SS..Hα-helixtrans-61-34.6173.1-106.7-79.1000112.9V125 A129 M145 L146 S153V125-F149 HydrophobicContact CG1-CD2 4.24Å; V125-F149 HydrophobicContact CG1-CE2 3.39Å; V125-F149 HydrophobicContact CG1-CZ 3.64Å; A129-F149 HydrophobicContact CB-CE2 3.97Å; M145-F149 HydrophobicContact CG-CD2 4.23Å; M145-F149 HydrophobicContact CG-CE2 4.5Å; M145-F149 WeakPolarHBondContact O-CB 3.5Å; M145-F149 WeakPolarHBondContact O-CD2 3.43Å; M145-F149 PolarHBondContact O-N 3.05Å; M145-F149 HydrophobicContact SD-CD2 3.82Å; M145-F149 HydrophobicContact SD-CE2 4.01Å; L146-F149 CarbonylContact O-C 3.6Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.28Å; F149-S153 PolarHBondContact O-N 2.95Å
150S37.8Very low39.4Very low44 Ų4479 Ų7931%0.30840%0.398SS..Hα-helixtrans-65.3-52.7172.9-150.20000110.9L146 I147 M148 Y152 S153 D154L146-S150 PolarHBondContact O-N 3.12Å; I147-S150 WeakPolarHBondContact O-CB 3.49Å; I147-S150 PolarHBondContact O-N 3.06Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 2.99Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.25Å; S150-S153 WeakPolarHBondContact O-CA 3.42Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3.19Å; S150-D154 PolarHBondContact O-N 3.3Å
151S35.7Very low39.2Very low59 Ų5980 Ų8041%0.41340%0.403SS..Hα-helixtrans-59.2-38.3176.8-176.70000112.9I147 M148 S153 D154 N155I147-S151 PolarHBondContact O-N 3.32Å; M148-S151 PolarHBondContact O-N 2.8Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.03Å; S151-D154 PolarHBondContact O-N 3.2Å; S151-N155 PolarHBondContact O-N 3.31Å; S151-N155 PolarHBondContact O-ND2 3.33Å
152Y40.2Very low39.1Very low82 Ų8280.6 Ų80.632%0.32241%0.412SS..Hα-helixtrans-74.7-17.8175-79.6-63.5000114T133 M148 S150 N155 F156T133-Y152 HydrophobicContact CG2-CE2 4.08Å; M148-Y152 HydrophobicContact CB-CD2 4.33Å; M148-Y152 HydrophobicContact CB-CE2 4.49Å; M148-Y152 HydrophobicContact CE-CE2 3.95Å; M148-Y152 WeakPolarHBondContact O-CB 3.23Å; M148-Y152 WeakPolarHBondContact O-CD2 3.24Å; M148-Y152 PolarHBondContact O-N 2.63Å; M148-Y152 HydrophobicContact SD-CE2 4.42Å; S150-Y152 VanDerWaalsContact C-N 3.31Å; S150-Y152 PolarHBondContact O-N 3.25Å; Y152-N155 HydrophobicContact CD1-CB 4.39Å; Y152-F156 PolarHBondContact O-N 3.24Å; Y152-F156 VanDerWaalsContact O-N 3.16Å
153S40.4Very low39Very low56 Ų5680.9 Ų80.939%0.39241%0.414SS..Hα-helixtrans-67.3-42.6169.1-163.10000110.6F149 S150 S151 F156F149-S153 PolarHBondContact O-N 2.95Å; S150-S153 WeakPolarHBondContact O-CA 3.42Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3.19Å; S151-S153 VanDerWaalsContact C-N 3.32Å; S151-S153 PolarHBondContact O-N 3.03Å; S153-F156 WeakPolarHBondContact O-CB 3.19Å
154D35.7Very low39.1Very low89 Ų8983.2 Ų83.248%0.47643%0.426SS..Hα-helixtrans-73.5-42.9175.3-79.3-55.2000113.2S150 S151 F156 K157S150-D154 PolarHBondContact O-N 3.3Å; S151-D154 PolarHBondContact O-N 3.2Å; D154-F156 PolarHBondContact O-N 2.79Å; D154-F156 VanDerWaalsContact O-N 3.1Å; D154-K157 WeakPolarHBondContact O-CB 3.46Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.09Å; D154-K157 IonicContact OD1-NZ 3.53Å; D154-K157 PolarHBondContact OD1-NZ 3Å
155N34.5Very low39Very low76 Ų7686.5 Ų86.541%0.40644%0.44SS..Hα-helixtrans-64.5-13.8176.2-78.8-84.8000113.2S151 Y152 K157 L158S151-N155 PolarHBondContact O-N 3.31Å; S151-N155 PolarHBondContact O-ND2 3.33Å; Y152-N155 HydrophobicContact CD1-CB 4.39Å; N155-K157 PolarHBondContact O-N 2.95Å; N155-L158 PolarHBondContact O-N 3.12Å
156F42.2Very low38.9Very low82 Ų8288 Ų8836%0.3645%0.453SS..THydrogen-bonded Turntrans-61.1-23.3171.7-136-89.3000112.8Y152 S153 D154 L158 L159 E160 L231Y152-F156 PolarHBondContact O-N 3.24Å; Y152-F156 VanDerWaalsContact O-N 3.16Å; S153-F156 WeakPolarHBondContact O-CB 3.19Å; D154-F156 PolarHBondContact O-N 2.79Å; D154-F156 VanDerWaalsContact O-N 3.1Å; F156-L158 VanDerWaalsContact C-N 3.31Å; F156-L158 PolarHBondContact O-N 2.9Å; F156-L159 HydrophobicContact CZ-CD2 4.5Å; F156-L159 PolarHBondContact O-N 3.17Å; F156-E160 PolarHBondContact O-N 3.39Å; F156-L231 HydrophobicContact CE2-CD1 4.47Å; F156-L231 HydrophobicContact CZ-CD1 4.37Å
157K41.7Very low38.9Very low134 Ų13487.3 Ų87.358%0.58345%0.446SS*.THydrogen-bonded Turntrans-63.3-32.5171.7-68.9163.3-176.8149.60112.6D154 N155 E160D154-K157 WeakPolarHBondContact O-CB 3.46Å; D154-K157 PolarHBondContact O-N 2.92Å; D154-K157 VanDerWaalsContact O-N 3.09Å; D154-K157 IonicContact OD1-NZ 3.53Å; D154-K157 PolarHBondContact OD1-NZ 3Å; N155-K157 PolarHBondContact O-N 2.95Å; K157-E160 VanDerWaalsContact O-CB 3.23Å; K157-E160 WeakPolarHBondContact O-CB 3.47Å; K157-E160 PolarHBondContact O-N 3.44Å
158L40.5Very low39Very low148 Ų14887.1 Ų87.178%0.77545%0.446SS*.THydrogen-bonded Turntrans-78.2-21.1176.3-73.9171.2000113N155 F156 E160N155-L158 PolarHBondContact O-N 3.12Å; F156-L158 VanDerWaalsContact C-N 3.31Å; F156-L158 PolarHBondContact O-N 2.9Å; L158-E160 VanDerWaalsContact C-N 3.27Å
159L40.1Very low39.4Very low87 Ų8788 Ų8846%0.45545%0.451SS..THydrogen-bonded Turntrans-82.2-3.6169.9-157.467.2000112.6F156 Q161 S162 F163F156-L159 HydrophobicContact CZ-CD2 4.5Å; F156-L159 PolarHBondContact O-N 3.17Å; L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.24Å; L159-S162 PolarHBondContact O-N 3.12Å; L159-S162 PolarHBondContact O-OG 3.38Å; L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3.22Å; L159-F163 VanDerWaalsContact O-N 3.12Å
160E43.9Very low39.5Very low84 Ų8487.9 Ų87.939%0.39345%0.453SS..Hα-helixtrans-62.6-34.3-177.3-175160-151.900112.6F156 K157 L158 F163 L164 K167F156-E160 PolarHBondContact O-N 3.39Å; K157-E160 VanDerWaalsContact O-CB 3.23Å; K157-E160 WeakPolarHBondContact O-CB 3.47Å; K157-E160 PolarHBondContact O-N 3.44Å; L158-E160 VanDerWaalsContact C-N 3.27Å; E160-F163 CarbonylContact O-C 3.2Å; E160-F163 PolarHBondContact O-N 3.06Å; E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 PolarHBondContact O-N 3.32Å; E160-K167 IonicContact OE1-NZ 2.62Å; E160-K167 PolarHBondContact OE1-NZ 2.99Å
161Q37.7Very low39.6Very low173 Ų17389.3 Ų89.381%0.80846%0.455SS*.Hα-helixtrans-66.8-41.1-177.9-67.2-1681.300113.6L159L159-Q161 VanDerWaalsContact C-N 3.3Å; L159-Q161 PolarHBondContact O-N 3.24Å
162S38.2Very low39.5Very low83 Ų8389.7 Ų89.758%0.5846%0.458SS*.Hα-helixtrans-75.9-30.6175.262.20000111.6L159L159-S162 PolarHBondContact O-N 3.12Å; L159-S162 PolarHBondContact O-OG 3.38Å
163F40.7Very low39.4Very low47 Ų4789.1 Ų89.121%0.20646%0.46CS..Hα-helixtrans-74-27.2175.8-171.3-111.4000113.4L159 E160 F165 S166 K167 V232L159-F163 WeakPolarHBondContact O-CB 3.5Å; L159-F163 PolarHBondContact O-N 3.22Å; L159-F163 VanDerWaalsContact O-N 3.12Å; E160-F163 CarbonylContact O-C 3.2Å; E160-F163 PolarHBondContact O-N 3.06Å; F163-F165 VanDerWaalsContact C-N 3.27Å; F163-F165 PolarHBondContact O-N 3.09Å; F163-S166 CarbonylContact O-C 3.56Å; F163-S166 WeakPolarHBondContact O-CA 3.4Å; F163-S166 WeakPolarHBondContact O-CB 3.24Å; F163-S166 PolarHBondContact O-N 2.96Å; F163-K167 HydrophobicContact CD1-CB 4.17Å; F163-K167 HydrophobicContact CD1-CD 4.43Å; F163-K167 HydrophobicContact CE1-CB 3.98Å; F163-K167 HydrophobicContact CE1-CD 4.41Å; F163-K167 HydrophobicContact CE1-CG 4.27Å; F163-K167 WeakPolarHBondContact O-CB 3.22Å; F163-K167 PolarHBondContact O-N 2.76Å; F163-V232 HydrophobicContact CE2-CG2 3.96Å; F163-V232 HydrophobicContact CZ-CB 4.14Å; F163-V232 HydrophobicContact CZ-CG1 4.11Å; F163-V232 HydrophobicContact CZ-CG2 3.89Å
164L39.8Very low39.3Very low77 Ų7790.1 Ų90.140%0.40346%0.458SS..Hα-helixtrans-56.6-37.6-176.3-135.2161.4000113E160 K167 L168E160-L164 WeakPolarHBondContact O-CB 3.42Å; E160-L164 PolarHBondContact O-N 3.32Å; L164-K167 WeakPolarHBondContact O-CB 3.11Å; L164-K167 PolarHBondContact O-N 3.17Å; L164-L168 HydrophobicContact CD2-CD1 3.87Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.12Å
165F38.4Very low39.3Very low163 Ų16390.1 Ų90.172%0.71546%0.455SS*.Hα-helixtrans-65.7-40.2174.5-170.7-98.3000112.2F163 L169F163-F165 VanDerWaalsContact C-N 3.27Å; F163-F165 PolarHBondContact O-N 3.09Å; F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.38Å; F165-L169 VanDerWaalsContact O-N 3.1Å
166S38.1Very low39.3Very low51 Ų5191.5 Ų91.536%0.35746%0.462SS..Hα-helixtrans-69.4-39.6175.1-163.70000111.9F163 L169 L170F163-S166 CarbonylContact O-C 3.56Å; F163-S166 WeakPolarHBondContact O-CA 3.4Å; F163-S166 WeakPolarHBondContact O-CB 3.24Å; F163-S166 PolarHBondContact O-N 2.96Å; S166-L169 PolarHBondContact O-N 2.72Å; S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 3.3Å
167K40.4Very low39.2Very low61 Ų6191.3 Ų91.327%0.26546%0.464SS..Hα-helixtrans-57.8-51.8174.9-170178.7-177178.90110.6E160 F163 L164 L170 E171E160-K167 IonicContact OE1-NZ 2.62Å; E160-K167 PolarHBondContact OE1-NZ 2.99Å; F163-K167 HydrophobicContact CD1-CB 4.17Å; F163-K167 HydrophobicContact CD1-CD 4.43Å; F163-K167 HydrophobicContact CE1-CB 3.98Å; F163-K167 HydrophobicContact CE1-CD 4.41Å; F163-K167 HydrophobicContact CE1-CG 4.27Å; F163-K167 WeakPolarHBondContact O-CB 3.22Å; F163-K167 PolarHBondContact O-N 2.76Å; L164-K167 WeakPolarHBondContact O-CB 3.11Å; L164-K167 PolarHBondContact O-N 3.17Å; K167-L170 PolarHBondContact O-N 3.35Å; K167-E171 VanDerWaalsContact O-CB 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.23Å; K167-E171 PolarHBondContact O-N 2.89Å
168L41.2Very low38.9Very low112 Ų11290.5 Ų90.559%0.58646%0.461SS*.Hα-helixtrans-62.1-42.8175.7-72.6167.3000112.7L164 L170 S172L164-L168 HydrophobicContact CD2-CD1 3.87Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.12Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.13Å; L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.96Å
169L42.6Very low38.4Very low76 Ų7687.5 Ų87.540%0.39845%0.451SS..Hα-helixtrans-66.2-34.4178.2-166.867.6000111.7F165 S166 S172 N173 I203F165-L169 WeakPolarHBondContact O-CB 3.46Å; F165-L169 PolarHBondContact O-N 3.38Å; F165-L169 VanDerWaalsContact O-N 3.1Å; S166-L169 PolarHBondContact O-N 2.72Å; L169-S172 PolarHBondContact O-OG 3.44Å; L169-N173 PolarHBondContact O-ND2 3.17Å; L169-I203 HydrophobicContact CD2-CD1 3.74Å; L169-I203 HydrophobicContact CD2-CG1 3.94Å; L169-I203 HydrophobicContact CG-CD1 3.84Å
170L40.4Very low38Very low61 Ų6188.8 Ų88.832%0.31945%0.453SS..Hα-helixtrans-81.2-36.8177.4-16766.9000112.9S166 K167 L168 S172 N173 F174 V232S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 3.3Å; K167-L170 PolarHBondContact O-N 3.35Å; L168-L170 VanDerWaalsContact C-N 3.31Å; L168-L170 PolarHBondContact O-N 3.13Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.07Å; L170-N173 CarbonylContact O-C 3.59Å; L170-N173 PolarHBondContact O-N 2.97Å; L170-N173 VanDerWaalsContact O-N 3.12Å; L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 2.96Å; L170-V232 HydrophobicContact CD2-CG1 3.2Å
171E38.7Very low37.6Very low74 Ų7492 Ų9235%0.34647%0.473SS..Hα-helixtrans-56.3-46175.1-168.373.6-121.800110.6K167 N173 F174 Q175K167-E171 VanDerWaalsContact O-CB 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.23Å; K167-E171 PolarHBondContact O-N 2.89Å; E171-N173 PolarHBondContact O-N 2.93Å; E171-F174 PolarHBondContact O-N 3.39Å; E171-Q175 VanDerWaalsContact O-CG 3.3Å; E171-Q175 WeakPolarHBondContact O-CG 3.34Å; E171-Q175 PolarHBondContact O-N 3.05Å
172S35Very low37.4Very low68 Ų6889.8 Ų89.848%0.47647%0.471SS..Hα-helixtrans-61.7-40.3175.260.10000112.9L168 L169 L170 L176L168-S172 PolarHBondContact O-N 3.24Å; L168-S172 PolarHBondContact O-OG 2.96Å; L169-S172 PolarHBondContact O-OG 3.44Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.07Å; S172-L176 WeakPolarHBondContact O-CB 3.19Å; S172-L176 PolarHBondContact O-N 3.12Å
173N37.1Very low36.8Very low69 Ų6993.7 Ų93.737%0.36949%0.485SS..Hα-helixtrans-69.9-33.9175-81.7-81.8000113.1L169 L170 E171 L176 L177L169-N173 PolarHBondContact O-ND2 3.17Å; L170-N173 CarbonylContact O-C 3.59Å; L170-N173 PolarHBondContact O-N 2.97Å; L170-N173 VanDerWaalsContact O-N 3.12Å; E171-N173 PolarHBondContact O-N 2.93Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 2.98Å; N173-L177 PolarHBondContact O-N 2.87Å
174F37.9Very low36.5Very low77 Ų7798 Ų9834%0.33852%0.515SS..Hα-helixtrans-73.9-36.5178.8-159.9-103.3000111.6L170 E171 L177 K178L170-F174 WeakPolarHBondContact O-CB 3.36Å; L170-F174 PolarHBondContact O-N 2.96Å; E171-F174 PolarHBondContact O-N 3.39Å; F174-L177 PolarHBondContact O-N 2.92Å; F174-K178 PolarHBondContact O-N 3.32Å
175Q35.4Very low35.8Very low90 Ų90103.6 Ų103.642%0.42154%0.536SS..Hα-helixtrans-66.3-42.5168.8-64.8-75.756.200111.2E171 L177 K178 C179E171-Q175 VanDerWaalsContact O-CG 3.3Å; E171-Q175 WeakPolarHBondContact O-CG 3.34Å; E171-Q175 PolarHBondContact O-N 3.05Å; Q175-L177 PolarHBondContact O-N 3.08Å; Q175-K178 PolarHBondContact O-N 2.93Å; Q175-C179 PolarHBondContact O-N 2.73Å; Q175-C179 PolarHBondContact O-SG 3.1Å; Q175-C179 VanDerWaalsContact O-SG 3.32Å
176L36.3Very low35.2Very low105 Ų105100.6 Ų100.655%0.5554%0.535SS..Hα-helixtrans-54.9-40.1173.3-163.683.1000111.7S172 N173 C179 K180S172-L176 WeakPolarHBondContact O-CB 3.19Å; S172-L176 PolarHBondContact O-N 3.12Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 2.98Å; L176-C179 PolarHBondContact O-N 2.73Å; L176-K180 PolarHBondContact O-N 3.45Å
177L39.4Very low34.7Very low77 Ų77105.8 Ų105.840%0.40356%0.557SS.*Hα-helixtrans-70.2-29.5178.5-159.769.7000113.4N173 F174 Q175 K180N173-L177 PolarHBondContact O-N 2.87Å; F174-L177 PolarHBondContact O-N 2.92Å; Q175-L177 PolarHBondContact O-N 3.08Å; L177-K180 HydrophobicContact CD1-CD 4.33Å
178K34.2Very low34.2Very low117 Ų117108.5 Ų108.551%0.50958%0.581SS.*Hα-helixtrans-71-39.5169.8-68.3179.5-164.8157.10112F174 Q175 K180F174-K178 PolarHBondContact O-N 3.32Å; Q175-K178 PolarHBondContact O-N 2.93Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.84Å
179C30.9Very low33.7Very low86 Ų86110.2 Ų110.258%0.58159%0.591SS**Hα-helixtrans-72.3-18.9-175-66.60000114.7Q175 L176 N181 V182Q175-C179 PolarHBondContact O-N 2.73Å; Q175-C179 PolarHBondContact O-SG 3.1Å; Q175-C179 VanDerWaalsContact O-SG 3.32Å; L176-C179 PolarHBondContact O-N 2.73Å; C179-N181 PolarHBondContact O-N 3.04Å; C179-V182 PolarHBondContact O-N 3.09Å
180K32Very low33.1Very low114 Ų114112.7 Ų112.750%0.49660%0.604SS.*THydrogen-bonded Turntrans-59.6-11.1179.5-82.2-178.5179.6172.10115.5L176 L177 K178 E250L176-K180 PolarHBondContact O-N 3.45Å; L177-K180 HydrophobicContact CD1-CD 4.33Å; K178-K180 VanDerWaalsContact C-N 3.33Å; K178-K180 PolarHBondContact O-N 2.84Å; K180-E250 IonicContact NZ-OE1 2.73Å; K180-E250 PolarHBondContact NZ-OE1 3.33Å; K180-E250 IonicContact NZ-OE2 3.68Å
181N35.3Very low32.6Very low151 Ų151118.1 Ų118.181%0.80763%0.625SS**THydrogen-bonded Turntrans-90.40.7-176.3-73.6-32.7000115.7C179C179-N181 PolarHBondContact O-N 3.04Å
182V33.3Very low32.6Very low126 Ų126120 Ų12076%0.76465%0.647SS**SBendtrans-120.6-15.9-166.2-176.90000115C179C179-V182 PolarHBondContact O-N 3.09Å
183L26.2Very low32.4Very low166 Ų166124.6 Ų124.687%0.86967%0.665SS**  trans-105.789.9-179.3-78.1171.9000113.2
184V33.7Very low32.3Very low138 Ų138130.4 Ų130.484%0.83669%0.689SS**  trans-85.5116.2153.9175.20000107.7
185F26.2Very low31.6Very low193 Ų193129.4 Ų129.485%0.84670%0.701SS**  trans-151157.2155.1-137.5-94.1000112
186S25.3Very low31.6Very low100 Ų100132.9 Ų132.970%0.69972%0.722SS**PPolyproline II helixtrans-75153.2-163.8-52.70000114.9P188S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å
187I27.8Very low31.2Very low160 Ų160138 Ų13882%0.82174%0.74SS**PPolyproline II helixtrans-81.6120.5169.9-60167.9000109.5
188P28.4Very low30.6Very low119 Ų119143.2 Ų143.277%0.77376%0.759SS**PPolyproline II helixtrans-84138.6148.734.1-29.7000109.4S186S186-P188 VanDerWaalsContact O-CD 3.3Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å
189D32.3Very low30.4Very low148 Ų148143.4 Ų143.479%0.79177%0.774SS**PPolyproline II helixtrans-83.1166.4-175.5-173.928.2000113.2
190N28.5Very low30.4Very low127 Ų127144.2 Ų144.268%0.67978%0.781SS**  trans100.7143.8151-146-18.6000118.8
191K31Very low30.3Very low175 Ų175145.5 Ų145.576%0.76179%0.792SS**  trans7683167.1-52.9-166.6-179.3177.80119.1
192S37.7Very low30Very low114 Ų114142 Ų14280%0.79778%0.78SS**  trans-11.5120146.1179.80000117.1
193I30.8Very low29.9Very low165 Ų165139 Ų13985%0.84676%0.759SS**  trans-130.9129.9147.7-63.8-176.8000107.7
194H35.3Very low30.4Very low191 Ų191136.3 Ų136.388%0.88475%0.745SS**  trans-81.1121.4176.7-132.8-94.9000109.2
195G24.7Very low30.1Very low56 Ų56133.8 Ų133.858%0.57773%0.733SS**  trans-169.2136.2-178.800000114.5F197G195-F197 PolarHBondContact O-N 3.03Å
196D35.5Very low30.4Very low163 Ų163133.4 Ų133.487%0.87273%0.732SS**  trans-63.692-166.3-69.5-54.8000116.5K198D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.33Å
197F26.8Very low31.1Very low212 Ų212131.8 Ų131.893%0.9371%0.712SS**  trans-81.863.6164.9-88.5-86.4000112.8G195 C199G195-F197 PolarHBondContact O-N 3.03Å; F197-C199 PolarHBondContact O-N 3.28Å
198K27Very low31.1Very low186 Ų186129 Ų12981%0.80971%0.705SS**  trans-95.134.2-179.5-153.6175.9-178.6175.60114.3D196D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.33Å
199C30Very low31.1Very low122 Ų122127.9 Ų127.982%0.82471%0.705SS**  trans-121.775.1-175.9-74.70000113.4F197F197-C199 PolarHBondContact O-N 3.28Å
200S30.5Very low31.3Very low103 Ų103126 Ų12672%0.7270%0.703SS**SBendtrans-155.5-19166.363.50000115.2
201L31Very low31.4Very low140 Ų140127 Ų12773%0.73371%0.714SS**SBendtrans-1146-165.4-130.673000116.1
202S27.6Very low31.7Very low79 Ų79122.3 Ų122.355%0.55270%0.697SS**SBendtrans-84.5-10.1-174.648.90000115.5S205S202-S205 PolarHBondContact O-OG 2.99Å
203I32.4Very low32.3Very low62 Ų62121.7 Ų121.732%0.31869%0.693SS.*SBendtrans-83.4-28.9179.2-58.8176.4000111L169 S205 F206L169-I203 HydrophobicContact CD2-CD1 3.74Å; L169-I203 HydrophobicContact CD2-CG1 3.94Å; L169-I203 HydrophobicContact CG-CD1 3.84Å; I203-S205 PolarHBondContact O-N 3.39Å; I203-F206 PolarHBondContact O-N 3.36Å
204L35.2Very low33.2Very low109 Ų109124.8 Ų124.857%0.57169%0.694SS**G310 helixtrans-74.1-13.4178.7-152.774.7000113.3F206 F207L204-F206 VanDerWaalsContact C-N 3.27Å; L204-F206 PolarHBondContact O-N 3.18Å; L204-F207 HydrophobicContact CD1-CD2 4.18Å; L204-F207 HydrophobicContact CD1-CE2 3.86Å; L204-F207 HydrophobicContact CG-CD2 4.34Å; L204-F207 WeakPolarHBondContact O-CD2 3.32Å
205S29Very low34.1Very low85 Ų85121.8 Ų121.859%0.59468%0.678SS**G310 helixtrans-77.2-2.3175.427.70000115.1S202 I203S202-S205 PolarHBondContact O-OG 2.99Å; I203-S205 PolarHBondContact O-N 3.39Å
206F31.1Very low35.7Very low185 Ų185123.3 Ų123.381%0.81167%0.673SS**G310 helixtrans-81.7-9.9172.6-90.3-84.1000114.4I203 L204I203-F206 PolarHBondContact O-N 3.36Å; L204-F206 VanDerWaalsContact C-N 3.27Å; L204-F206 PolarHBondContact O-N 3.18Å
207F40.3Very low37.4Very low66 Ų66124.5 Ų124.529%0.28967%0.671SS.*SBendtrans-67128159.6-68.6-75.9000108L204 A209 K225 M228L204-F207 HydrophobicContact CD1-CD2 4.18Å; L204-F207 HydrophobicContact CD1-CE2 3.86Å; L204-F207 HydrophobicContact CG-CD2 4.34Å; L204-F207 WeakPolarHBondContact O-CD2 3.32Å; F207-A209 PolarHBondContact O-N 3.02Å; F207-K225 HydrophobicContact CE1-CG 3.86Å; F207-K225 HydrophobicContact CZ-CD 4.3Å; F207-K225 HydrophobicContact CZ-CG 3.92Å; F207-M228 HydrophobicContact CE1-CG 4.39Å
208P28.6Very low39.6Very low102 Ų102116.1 Ų116.166%0.66264%0.638SS**  trans-56.9120.9-178.922.7-33.1000108.9S210P208-S210 PolarHBondContact O-N 2.89Å
209A28.4Very low42Very low95 Ų95108.5 Ų108.579%0.78561%0.606SS**  trans-71.369.5-169.100000111.9F207 V211F207-A209 PolarHBondContact O-N 3.02Å; A209-V211 WeakPolarHBondContact O-CG2 3.23Å; A209-V211 PolarHBondContact O-N 2.99Å; A209-V211 VanDerWaalsContact O-N 3.14Å
210S35.4Very low44.1Very low108 Ų108105.6 Ų105.676%0.75558%0.578SS**  trans-60117.2173.1-165.30000108.1P208 N212P208-S210 PolarHBondContact O-N 2.89Å; S210-N212 PolarHBondContact O-N 3.37Å
211V30.9Very low46.1Very low149 Ų149101.9 Ų101.990%0.90355%0.551SS**SBendtrans-73.564.6-163.2-169.70000111.8A209A209-V211 WeakPolarHBondContact O-CG2 3.23Å; A209-V211 PolarHBondContact O-N 2.99Å; A209-V211 VanDerWaalsContact O-N 3.14Å
212N38.6Very low48.3Very low76 Ų7696.2 Ų96.241%0.40652%0.521SS..  trans-160.868-179.9-157.8-12.8000113.4S210 R214 K215S210-N212 PolarHBondContact O-N 3.37Å; N212-R214 PolarHBondContact O-N 3.5Å; N212-K215 PolarHBondContact O-N 3.16Å
213S49.1Very low50.8Low101 Ų10192.8 Ų92.871%0.70650%0.497SS*.THydrogen-bonded Turntrans-56.6-15.3176.556.20000114.9K215 D216S213-K215 PolarHBondContact O-N 3.21Å; S213-D216 WeakPolarHBondContact CA-OD2 3.46Å
214R50.7Low52.8Low231 Ų23191.9 Ų91.987%0.87249%0.491SS*.THydrogen-bonded Turntrans-69.7-13.9170.7-71-178.2-86-164.6-7.7113.4N212N212-R214 PolarHBondContact O-N 3.5Å
215K54.3Low54.9Low127 Ų12789 Ų8955%0.55247%0.474SS*.SBendtrans-106.6-8.4-174.6-155.5165.6-174171.20115.1N212 S213 K217 S218N212-K215 PolarHBondContact O-N 3.16Å; S213-K215 PolarHBondContact O-N 3.21Å; K215-K217 PolarHBondContact O-N 3.36Å; K215-S218 WeakPolarHBondContact O-CB 3.48Å; K215-S218 PolarHBondContact O-N 3.23Å
216D58.2Low57.5Low89 Ų8985 Ų8548%0.47645%0.446SS..THydrogen-bonded Turntrans-63.2-16.3-176.6-70.9-44.5000115.3S213 S218S213-D216 WeakPolarHBondContact CA-OD2 3.46Å; D216-S218 VanDerWaalsContact C-N 3.27Å
217K71Confident59.7Low188 Ų18877.8 Ų77.882%0.81742%0.417SS*.THydrogen-bonded Turntrans-83-2.1174.8-62.6171.1-175.1172.40112.9K215K215-K217 PolarHBondContact O-N 3.36Å
218S72.9Confident61.4Low35 Ų3577.7 Ų77.725%0.24542%0.418CS..SBendtrans-68.8144.4-179.2-1750000112.4K215 D216 R220 V221 M222K215-S218 WeakPolarHBondContact O-CB 3.48Å; K215-S218 PolarHBondContact O-N 3.23Å; D216-S218 VanDerWaalsContact C-N 3.27Å; S218-R220 PolarHBondContact O-N 3.23Å; S218-R220 VanDerWaalsContact O-N 3.07Å; S218-R220 PolarHBondContact OG-N 3.47Å; S218-V221 PolarHBondContact O-N 3.48Å; S218-M222 PolarHBondContact O-N 2.85Å
219L76.1Confident63.7Low27 Ų2773.9 Ų73.914%0.14139%0.392CS..Hα-helixtrans-52-29.8169.5-171.673.1000112.2V117 I120 M222 S223 R267 I271V117-L219 HydrophobicContact CB-CD2 4.18Å; V117-L219 HydrophobicContact CG1-CD2 4.24Å; V117-L219 HydrophobicContact CG2-CD2 3.74Å; I120-L219 HydrophobicContact CB-CD2 4.48Å; I120-L219 HydrophobicContact CD1-CB 4.13Å; I120-L219 HydrophobicContact CD1-CD2 4.37Å; I120-L219 HydrophobicContact CG2-CB 4.22Å; I120-L219 HydrophobicContact CG2-CD2 4.22Å; I120-L219 HydrophobicContact CG2-CG 4.17Å; L219-M222 PolarHBondContact O-N 3.12Å; L219-S223 PolarHBondContact O-N 3.23Å; L219-S223 PolarHBondContact O-OG 2.94Å; L219-R267 HydrophobicContact CD1-CB 3.83Å; L219-R267 HydrophobicContact CD1-CG 4.12Å; L219-I271 HydrophobicContact CD1-CD1 3.82Å; L219-I271 HydrophobicContact CD1-CG1 4.2Å
220R75.6Confident66Low61 Ų6169.3 Ų69.323%0.2336%0.355CS..Hα-helixtrans-60.5-45.9175.3175165.3-53-60.15.7112.9I120 K123 T124 S218 S223 Q224I120-R220 VanDerWaalsContact CG2-CA 3.45Å; I120-R220 HydrophobicContact CG2-CB 3.84Å; I120-R220 PolarHBondContact O-NH1 2.89Å; K123-R220 VanDerWaalsContact C-NH1 3.26Å; T124-R220 WeakPolarHBondContact OG1-CG 3.2Å; T124-R220 PolarHBondContact OG1-NH1 3.34Å; T124-R220 PolarHBondContact OG1-O 2.81Å; S218-R220 PolarHBondContact O-N 3.23Å; S218-R220 VanDerWaalsContact O-N 3.07Å; S218-R220 PolarHBondContact OG-N 3.47Å; R220-S223 PolarHBondContact O-OG 2.96Å; R220-Q224 WeakPolarHBondContact O-CB 3.36Å; R220-Q224 PolarHBondContact O-N 3.43Å; R220-Q224 VanDerWaalsContact O-N 3.15Å
221V71.6Confident68Low24 Ų2466.4 Ų66.415%0.14533%0.331CS..Hα-helixtrans-75.4-33.7179.7-179.10000110S218 K225S218-V221 PolarHBondContact O-N 3.48Å; V221-K225 HydrophobicContact CG1-CD 4.13Å; V221-K225 HydrophobicContact CG1-CG 4.42Å; V221-K225 WeakPolarHBondContact O-CB 3.46Å; V221-K225 WeakPolarHBondContact O-CG 3.49Å; V221-K225 PolarHBondContact O-N 3.45Å
222M77.4Confident69.7Low21 Ų2161 Ų6110%0.10330%0.298CS..Hα-helixtrans-64.4-46.8174.5-162.6-176.2-50.100112.4S218 L219 F226 L247 K264 R267 L268 I271S218-M222 PolarHBondContact O-N 2.85Å; L219-M222 PolarHBondContact O-N 3.12Å; M222-F226 VanDerWaalsContact O-CB 3.22Å; M222-F226 WeakPolarHBondContact O-CB 3.45Å; M222-F226 PolarHBondContact O-N 3.41Å; M222-L247 HydrophobicContact CG-CD1 4.24Å; M222-K264 HydrophobicContact CE-CB 4.49Å; M222-K264 HydrophobicContact CE-CG 3.83Å; M222-K264 HydrophobicContact SD-CB 4.43Å; M222-K264 HydrophobicContact SD-CG 4.35Å; M222-R267 HydrophobicContact CE-CB 4.24Å; M222-R267 HydrophobicContact SD-CB 3.62Å; M222-L268 HydrophobicContact CG-CD2 4.26Å; M222-L268 HydrophobicContact SD-CD2 4.42Å; M222-I271 HydrophobicContact CG-CD1 4.38Å; M222-I271 HydrophobicContact SD-CD1 4.47Å
223S81.1Confident71.2Confident7 Ų758.4 Ų58.45%0.04929%0.285CS..Hα-helixtrans-67.9-39.5177.461.60000112.3T124 L219 R220 F226 V227T124-S223 PolarHBondContact OG1-OG 3.45Å; L219-S223 PolarHBondContact O-N 3.23Å; L219-S223 PolarHBondContact O-OG 2.94Å; R220-S223 PolarHBondContact O-OG 2.96Å; S223-F226 PolarHBondContact O-N 3.46Å; S223-V227 WeakPolarHBondContact O-CG2 3.37Å; S223-V227 PolarHBondContact O-N 3.32Å
224Q74.3Confident71.8Confident43 Ų4358.1 Ų58.120%0.20128%0.276CS..Hα-helixtrans-58.6-52.9174.3-173.8-175.2-8.800111.6T124 M128 R220 F226 V227 M228T124-Q224 HydrophobicContact CG2-CB 3.71Å; T124-Q224 HydrophobicContact CG2-CG 4.33Å; M128-Q224 HydrophobicContact CE-CG 4.18Å; M128-Q224 HydrophobicContact SD-CG 3.8Å; M128-Q224 PolarHBondContact SD-NE2 3.02Å; R220-Q224 WeakPolarHBondContact O-CB 3.36Å; R220-Q224 PolarHBondContact O-N 3.43Å; R220-Q224 VanDerWaalsContact O-N 3.15Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 3.35Å; Q224-V227 PolarHBondContact O-N 3.18Å; Q224-M228 WeakPolarHBondContact O-CB 3.26Å; Q224-M228 PolarHBondContact O-N 3.19Å
225K79.1Confident72.5Confident50 Ų5051.3 Ų51.322%0.21726%0.261CS..Hα-helixtrans-68.1-28.8-179.9-70.9-175.9175.6-176.50112.5F207 V221 L229 L247F207-K225 HydrophobicContact CE1-CG 3.86Å; F207-K225 HydrophobicContact CZ-CD 4.3Å; F207-K225 HydrophobicContact CZ-CG 3.92Å; V221-K225 HydrophobicContact CG1-CD 4.13Å; V221-K225 HydrophobicContact CG1-CG 4.42Å; V221-K225 WeakPolarHBondContact O-CB 3.46Å; V221-K225 WeakPolarHBondContact O-CG 3.49Å; V221-K225 PolarHBondContact O-N 3.45Å; K225-L229 WeakPolarHBondContact O-CB 3.39Å; K225-L229 PolarHBondContact O-N 2.86Å; K225-L229 VanDerWaalsContact O-N 3.07Å; K225-L247 HydrophobicContact CB-CD2 3.24Å; K225-L247 HydrophobicContact CD-CD2 4.13Å; K225-L247 HydrophobicContact CG-CD2 4.31Å
226F82.1Confident73.5Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-69.5-46.7174.2-175.2-124.1000112.2M222 S223 Q224 L229 F230 V238 L240 A243 L247 L268 I271 A272 L275M222-F226 VanDerWaalsContact O-CB 3.22Å; M222-F226 WeakPolarHBondContact O-CB 3.45Å; M222-F226 PolarHBondContact O-N 3.41Å; S223-F226 PolarHBondContact O-N 3.46Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 3.35Å; F226-L229 WeakPolarHBondContact O-CB 3.39Å; F226-L229 PolarHBondContact O-N 3.38Å; F226-F230 HydrophobicContact CD1-CE2 4.01Å; F226-F230 HydrophobicContact CD2-CE2 4.11Å; F226-F230 AromaticContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CZ 4.08Å; F226-F230 HydrophobicContact CG-CE2 4.23Å; F226-F230 AromaticContact CZ-CE2 3.56Å; F226-F230 HydrophobicContact CZ-CE2 3.56Å; F226-F230 AromaticContact CZ-CZ 3.74Å; F226-F230 HydrophobicContact CZ-CZ 3.74Å; F226-F230 WeakPolarHBondContact O-CD2 3.39Å; F226-V238 HydrophobicContact CE2-CG1 4.2Å; F226-L240 HydrophobicContact CE2-CD2 3.84Å; F226-L240 HydrophobicContact CZ-CD2 3.59Å; F226-A243 HydrophobicContact CD2-CB 3.89Å; F226-A243 HydrophobicContact CE2-CB 3.86Å; F226-L247 HydrophobicContact CB-CD1 4.36Å; F226-L268 HydrophobicContact CB-CD2 4.04Å; F226-L268 HydrophobicContact CD1-CD2 4.2Å; F226-L268 HydrophobicContact CD2-CD2 3.66Å; F226-L268 HydrophobicContact CE2-CD2 4.08Å; F226-L268 HydrophobicContact CG-CD2 3.72Å; F226-I271 HydrophobicContact CD1-CB 4.4Å; F226-I271 HydrophobicContact CD1-CG2 3.67Å; F226-I271 HydrophobicContact CE1-CG2 4.1Å; F226-A272 HydrophobicContact CE1-CB 4.15Å; F226-A272 HydrophobicContact CZ-CB 4.3Å; F226-L275 HydrophobicContact CD1-CD1 4.03Å; F226-L275 HydrophobicContact CE1-CD1 4.03Å
227V78.3Confident74.4Confident33 Ų3347.5 Ų47.520%0.225%0.246CC..Hα-helixtrans-61.8-45173.9173.40000110.7S223 Q224 L229 F230 L231 L275 W298S223-V227 WeakPolarHBondContact O-CG2 3.37Å; S223-V227 PolarHBondContact O-N 3.32Å; Q224-V227 PolarHBondContact O-N 3.18Å; V227-L229 PolarHBondContact O-N 3.35Å; V227-F230 PolarHBondContact O-N 3.15Å; V227-L231 PolarHBondContact O-N 3.07Å; V227-L275 HydrophobicContact CG2-CD1 3.99Å; V227-L275 HydrophobicContact CG2-CD2 4.24Å; V227-W298 HydrophobicContact CG1-CH2 4.21Å; V227-W298 HydrophobicContact CG1-CZ3 4.25Å
228M76Confident74.9Confident65 Ų6538.8 Ų38.832%0.3221%0.208SC..Hα-helixtrans-55.9-38.7176.3-171.161.166.700112.1F207 Q224 F230 L231 V232F207-M228 HydrophobicContact CE1-CG 4.39Å; Q224-M228 WeakPolarHBondContact O-CB 3.26Å; Q224-M228 PolarHBondContact O-N 3.19Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.06Å; M228-L231 PolarHBondContact O-N 2.84Å; M228-V232 HydrophobicContact CG-CG2 3.96Å; M228-V232 VanDerWaalsContact O-CB 3.24Å; M228-V232 WeakPolarHBondContact O-CB 3.48Å; M228-V232 VanDerWaalsContact O-CG2 3.23Å; M228-V232 WeakPolarHBondContact O-CG2 3.35Å; M228-V232 PolarHBondContact O-N 3.16Å; M228-V232 HydrophobicContact SD-CG2 3.85Å
229L77.5Confident75.5Confident21 Ų2138.6 Ų38.611%0.1121%0.207CC..Hα-helixtrans-62.8-31178.8-174.259.8000113K225 F226 V227 S233 V238 A243 I246K225-L229 WeakPolarHBondContact O-CB 3.39Å; K225-L229 PolarHBondContact O-N 2.86Å; K225-L229 VanDerWaalsContact O-N 3.07Å; F226-L229 WeakPolarHBondContact O-CB 3.39Å; F226-L229 PolarHBondContact O-N 3.38Å; V227-L229 PolarHBondContact O-N 3.35Å; L229-S233 WeakPolarHBondContact CD1-OG 3.42Å; L229-S233 WeakPolarHBondContact O-CB 3.26Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 2.98Å; L229-V238 HydrophobicContact CD2-CG1 3.7Å; L229-V238 HydrophobicContact CG-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG2 4.07Å; L229-A243 HydrophobicContact CD2-CB 3.78Å; L229-I246 HydrophobicContact CD1-CD1 3.89Å; L229-I246 HydrophobicContact CD2-CD1 4.04Å
230F76.8Confident75.9Confident0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-70.1-44.4173.1-71.8-83.5000112.5F226 V227 M228 V232 H236 V238 I281 F296 W298F226-F230 HydrophobicContact CD1-CE2 4.01Å; F226-F230 HydrophobicContact CD2-CE2 4.11Å; F226-F230 AromaticContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CE2 3.69Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CE2 3.78Å; F226-F230 HydrophobicContact CE2-CZ 4.08Å; F226-F230 HydrophobicContact CG-CE2 4.23Å; F226-F230 AromaticContact CZ-CE2 3.56Å; F226-F230 HydrophobicContact CZ-CE2 3.56Å; F226-F230 AromaticContact CZ-CZ 3.74Å; F226-F230 HydrophobicContact CZ-CZ 3.74Å; F226-F230 WeakPolarHBondContact O-CD2 3.39Å; V227-F230 PolarHBondContact O-N 3.15Å; M228-F230 VanDerWaalsContact C-N 3.29Å; M228-F230 PolarHBondContact O-N 3.06Å; F230-V232 VanDerWaalsContact C-N 3.26Å; F230-V232 PolarHBondContact O-N 2.77Å; F230-H236 PolarHBondContact O-ND1 3.17Å; F230-V238 HydrophobicContact CD1-CB 4.05Å; F230-V238 HydrophobicContact CD1-CG2 3.6Å; F230-V238 HydrophobicContact CD2-CG2 4.44Å; F230-V238 HydrophobicContact CE1-CB 3.63Å; F230-V238 HydrophobicContact CE1-CG2 3.75Å; F230-V238 HydrophobicContact CE2-CB 4.47Å; F230-V238 HydrophobicContact CG-CG2 3.97Å; F230-V238 HydrophobicContact CZ-CB 3.86Å; F230-V238 HydrophobicContact CZ-CG2 4.23Å; F230-I281 HydrophobicContact CE1-CG2 4.28Å; F230-I281 HydrophobicContact CZ-CD1 4.25Å; F230-I281 HydrophobicContact CZ-CG2 4.27Å; F230-F296 HydrophobicContact CE1-CB 3.83Å; F230-F296 HydrophobicContact CZ-CB 3.83Å; F230-W298 HydrophobicContact CB-CB 4.16Å; F230-W298 HydrophobicContact CB-CD2 4.17Å; F230-W298 HydrophobicContact CB-CE3 3.75Å; F230-W298 HydrophobicContact CB-CG 4.36Å; F230-W298 HydrophobicContact CD1-CB 4.13Å; F230-W298 HydrophobicContact CD1-CE3 4.48Å; F230-W298 HydrophobicContact CD2-CE3 4.36Å; F230-W298 HydrophobicContact CG-CB 4.49Å; F230-W298 AromaticContact CG-CE3 3.97Å; F230-W298 HydrophobicContact CG-CE3 3.97Å
231L76.6Confident76.1Confident47 Ų4737.6 Ų37.625%0.24621%0.207CC..Hα-helixtrans-65.1-32.9178.9-58.5176.8000111.9F156 V227 M228 W298F156-L231 HydrophobicContact CE2-CD1 4.47Å; F156-L231 HydrophobicContact CZ-CD1 4.37Å; V227-L231 PolarHBondContact O-N 3.07Å; M228-L231 PolarHBondContact O-N 2.84Å; L231-W298 HydrophobicContact CD2-CZ2 4.18Å
232V67.6Low76.5Confident35 Ų3539 Ų3921%0.21222%0.215CC..Hα-helixtrans-90.5-25.2-173.8166.80000113.4F163 L170 M228 F230F163-V232 HydrophobicContact CE2-CG2 3.96Å; F163-V232 HydrophobicContact CZ-CB 4.14Å; F163-V232 HydrophobicContact CZ-CG1 4.11Å; F163-V232 HydrophobicContact CZ-CG2 3.89Å; L170-V232 HydrophobicContact CD2-CG1 3.2Å; M228-V232 HydrophobicContact CG-CG2 3.96Å; M228-V232 VanDerWaalsContact O-CB 3.24Å; M228-V232 WeakPolarHBondContact O-CB 3.48Å; M228-V232 VanDerWaalsContact O-CG2 3.23Å; M228-V232 WeakPolarHBondContact O-CG2 3.35Å; M228-V232 PolarHBondContact O-N 3.16Å; M228-V232 HydrophobicContact SD-CG2 3.85Å; F230-V232 VanDerWaalsContact C-N 3.26Å; F230-V232 PolarHBondContact O-N 2.77Å
233S70.1Confident76.9Confident21 Ų2138 Ų3815%0.14721%0.21CC..SBendtrans-82.8132.6-178.8-60.50000111.8L229 P235 H236L229-S233 WeakPolarHBondContact CD1-OG 3.42Å; L229-S233 WeakPolarHBondContact O-CB 3.26Å; L229-S233 PolarHBondContact O-N 3.32Å; L229-S233 PolarHBondContact O-OG 2.98Å; S233-P235 CarbonylContact C-O 3.34Å; S233-P235 WeakPolarHBondContact CB-O 3.46Å; S233-P235 CarbonylContact O-C 3.53Å; S233-H236 WeakPolarHBondContact O-CA 3.18Å; S233-H236 PolarHBondContact O-N 2.84Å; S233-H236 PolarHBondContact O-ND1 3.41Å; S233-H236 VanDerWaalsContact O-ND1 3.08Å
234N60.4Low77Confident96 Ų9637.7 Ų37.751%0.51321%0.208SC..SBendtrans-112.8121.7163.3-169.86.3000109.1
235P65.5Low77.3Confident87 Ų8742.5 Ų42.557%0.56523%0.228SC*.SBendcis-64.8162.5-8.431-37.3000112S233 V237S233-P235 CarbonylContact C-O 3.34Å; S233-P235 WeakPolarHBondContact CB-O 3.46Å; S233-P235 CarbonylContact O-C 3.53Å; P235-V237 HydrophobicContact CB-CG2 4.39Å; P235-V237 HydrophobicContact CG-CB 4.46Å; P235-V237 PolarHBondContact O-N 3.2Å
236H74.8Confident77.3Confident89 Ų8944 Ų4441%0.41224%0.237SC..SBendtrans-71.341.3176.9-56.4-67.8000113.7F230 S233 K297 W298F230-H236 PolarHBondContact O-ND1 3.17Å; S233-H236 WeakPolarHBondContact O-CA 3.18Å; S233-H236 PolarHBondContact O-N 2.84Å; S233-H236 PolarHBondContact O-ND1 3.41Å; S233-H236 VanDerWaalsContact O-ND1 3.08Å; H236-K297 WeakPolarHBondContact O-CA 3.32Å; H236-W298 HydrophobicContact CB-CB 3.87Å; H236-W298 PolarHBondContact O-N 2.86Å
237V78.3Confident77Confident47 Ų4745 Ų4529%0.28524%0.243SC..EExtended strand (participates in β ladder)trans-119.3115.9-177.4-179.90000109.3P235 V286 A295 F296 K297P235-V237 HydrophobicContact CB-CG2 4.39Å; P235-V237 HydrophobicContact CG-CB 4.46Å; P235-V237 PolarHBondContact O-N 3.2Å; V237-V286 HydrophobicContact CG1-CG2 3.71Å; V237-A295 HydrophobicContact CG1-CB 3.88Å; V237-F296 CarbonylContact C-O 3.53Å; V237-F296 VanDerWaalsContact CA-O 3.28Å; V237-F296 WeakPolarHBondContact CA-O 3.4Å; V237-K297 HydrophobicContact CG2-CB 4.2Å; V237-K297 HydrophobicContact CG2-CG 4.03Å
238V81.2Confident76.9Confident5 Ų545.5 Ų45.53%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-118.8123.7-175.1-179.10000109.8F226 L229 F230 A243 F296F226-V238 HydrophobicContact CE2-CG1 4.2Å; L229-V238 HydrophobicContact CD2-CG1 3.7Å; L229-V238 HydrophobicContact CG-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG2 4.07Å; F230-V238 HydrophobicContact CD1-CB 4.05Å; F230-V238 HydrophobicContact CD1-CG2 3.6Å; F230-V238 HydrophobicContact CD2-CG2 4.44Å; F230-V238 HydrophobicContact CE1-CB 3.63Å; F230-V238 HydrophobicContact CE1-CG2 3.75Å; F230-V238 HydrophobicContact CE2-CB 4.47Å; F230-V238 HydrophobicContact CG-CG2 3.97Å; F230-V238 HydrophobicContact CZ-CB 3.86Å; F230-V238 HydrophobicContact CZ-CG2 4.23Å; V238-A243 HydrophobicContact CG1-CB 3.77Å; V238-F296 PolarHBondContact N-O 3.14Å; V238-F296 PolarHBondContact O-N 2.95Å
239S84.4Confident76.5Confident31 Ų3144.1 Ų44.122%0.21725%0.247CC..EExtended strand (participates in β ladder)trans-89.3143.1168.465.70000110.6D241 V242 A243S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 2.89Å; S239-V242 PolarHBondContact O-N 2.79Å; S239-V242 VanDerWaalsContact OG-CG2 3.27Å; S239-V242 WeakPolarHBondContact OG-CG2 3.37Å; S239-A243 PolarHBondContact O-N 3.29Å
240L84.6Confident75.6Confident2 Ų249.2 Ų49.21%0.0127%0.27CS..Hα-helixtrans-66.6-27.9-170.9-59.1-169.3000113.4F226 A244 L268 Y269 F296F226-L240 HydrophobicContact CE2-CD2 3.84Å; F226-L240 HydrophobicContact CZ-CD2 3.59Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 2.95Å; L240-L268 HydrophobicContact CD1-CB 4.43Å; L240-L268 HydrophobicContact CD2-CB 4.23Å; L240-Y269 HydrophobicContact CD1-CD1 3.48Å; L240-Y269 VanDerWaalsContact CD1-CD1 3.48Å; L240-Y269 HydrophobicContact CD1-CD2 3.98Å; L240-Y269 HydrophobicContact CD1-CE1 3.46Å; L240-Y269 VanDerWaalsContact CD1-CE1 3.46Å; L240-Y269 HydrophobicContact CD1-CE2 3.95Å; L240-Y269 HydrophobicContact CD1-CG 3.74Å; L240-F296 HydrophobicContact CD1-CE2 3.83Å; L240-F296 HydrophobicContact CD2-CD2 3.67Å; L240-F296 HydrophobicContact CD2-CE2 3.7Å; L240-F296 HydrophobicContact CG-CD2 4.1Å; L240-F296 HydrophobicContact CG-CE2 3.75Å
241D81Confident74.3Confident66 Ų6655.3 Ų55.335%0.35330%0.302SS..Hα-helixtrans-72.1-38.2177.1-58.2-51.4000112S239 A244 K245 F261S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 2.89Å; D241-A244 PolarHBondContact O-N 2.8Å; D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 2.88Å; D241-F261 HydrophobicContact CB-CZ 4.31Å
242V79.9Confident73.6Confident54 Ų5461 Ų6133%0.32733%0.327SS..Hα-helixtrans-68.2-45.7174.4172.60000109.9S239 A244 K245 I246S239-V242 PolarHBondContact O-N 2.79Å; S239-V242 VanDerWaalsContact OG-CG2 3.27Å; S239-V242 WeakPolarHBondContact OG-CG2 3.37Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 2.96Å; V242-K245 PolarHBondContact O-N 3.36Å; V242-I246 HydrophobicContact CG1-CD1 3.82Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 3.07Å
243A84.5Confident72.6Confident0 Ų064.9 Ų64.90%035%0.351CS..Hα-helixtrans-56.8-45.9171.900000111.9F226 L229 V238 S239 K245 I246 L247 L268F226-A243 HydrophobicContact CD2-CB 3.89Å; F226-A243 HydrophobicContact CE2-CB 3.86Å; L229-A243 HydrophobicContact CD2-CB 3.78Å; V238-A243 HydrophobicContact CG1-CB 3.77Å; S239-A243 PolarHBondContact O-N 3.29Å; A243-K245 VanDerWaalsContact C-N 3.35Å; A243-K245 PolarHBondContact O-N 3.2Å; A243-I246 PolarHBondContact O-N 2.94Å; A243-L247 HydrophobicContact CB-CD1 4.38Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.47Å; A243-L268 HydrophobicContact CB-CD1 3.87Å
244A83.4Confident71.8Confident0 Ų067.4 Ų67.40%037%0.373CS..Hα-helixtrans-63.3-36.718000000113.1L240 D241 V242 I248 F261 V265 L268L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 2.95Å; D241-A244 PolarHBondContact O-N 2.8Å; V242-A244 VanDerWaalsContact C-N 3.34Å; V242-A244 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-CG1 3.3Å; A244-I248 WeakPolarHBondContact O-CG1 3.4Å; A244-I248 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-N 3.15Å; A244-F261 HydrophobicContact CB-CD2 3.85Å; A244-F261 HydrophobicContact CB-CE2 3.42Å; A244-F261 VanDerWaalsContact CB-CE2 3.42Å; A244-F261 HydrophobicContact CB-CZ 4.05Å; A244-V265 HydrophobicContact CB-CG2 3.47Å; A244-V265 VanDerWaalsContact CB-CG2 3.47Å; A244-L268 HydrophobicContact CB-CD1 3.96Å
245K81Confident71.6Confident143 Ų14368 Ų6862%0.62238%0.376SS*.Hα-helixtrans-61.9-54.9171.4-72.2175.2179.9-172.70111.2D241 V242 A243 L247 I248 G249 F261D241-K245 WeakPolarHBondContact O-CG 3.41Å; D241-K245 PolarHBondContact O-N 2.88Å; V242-K245 PolarHBondContact O-N 3.36Å; A243-K245 VanDerWaalsContact C-N 3.35Å; A243-K245 PolarHBondContact O-N 3.2Å; K245-L247 PolarHBondContact O-N 3.01Å; K245-I248 PolarHBondContact O-N 2.82Å; K245-G249 PolarHBondContact O-N 3.4Å; K245-F261 HydrophobicContact CG-CE2 4.22Å
246I79.4Confident71.4Confident81 Ų8170.4 Ų70.442%0.41538%0.38SS..Hα-helixtrans-58.8-34.3179.8-64.5167.7000111.5L229 V242 A243L229-I246 HydrophobicContact CD1-CD1 3.89Å; L229-I246 HydrophobicContact CD2-CD1 4.04Å; V242-I246 HydrophobicContact CG1-CD1 3.82Å; V242-I246 WeakPolarHBondContact O-CG1 3.39Å; V242-I246 PolarHBondContact O-N 3.07Å; A243-I246 PolarHBondContact O-N 2.94Å
247L75.8Confident71.1Confident22 Ų2268 Ų6812%0.11537%0.37CS..THydrogen-bonded Turntrans-82.4-7.1179-68.7169000114.6M222 K225 F226 A243 K245 K264 L268M222-L247 HydrophobicContact CG-CD1 4.24Å; K225-L247 HydrophobicContact CB-CD2 3.24Å; K225-L247 HydrophobicContact CD-CD2 4.13Å; K225-L247 HydrophobicContact CG-CD2 4.31Å; F226-L247 HydrophobicContact CB-CD1 4.36Å; A243-L247 HydrophobicContact CB-CD1 4.38Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 WeakPolarHBondContact O-CD1 3.47Å; A243-L247 WeakPolarHBondContact O-CG 3.39Å; A243-L247 PolarHBondContact O-N 3.47Å; K245-L247 PolarHBondContact O-N 3.01Å; L247-K264 PolarHBondContact O-NZ 3.12Å; L247-L268 HydrophobicContact CD1-CD1 3.97Å; L247-L268 HydrophobicContact CD1-CD2 3.65Å; L247-L268 HydrophobicContact CD1-CG 4.31Å
248I75.6Confident71.1Confident44 Ų4472.7 Ų72.723%0.22639%0.386CS..THydrogen-bonded Turntrans-91-40.6164.5-65.9165.5000110.1A244 K245 F261 K264A244-I248 VanDerWaalsContact O-CG1 3.3Å; A244-I248 WeakPolarHBondContact O-CG1 3.4Å; A244-I248 PolarHBondContact O-N 2.96Å; A244-I248 VanDerWaalsContact O-N 3.15Å; K245-I248 PolarHBondContact O-N 2.82Å; I248-F261 HydrophobicContact CD1-CB 3.8Å; I248-F261 HydrophobicContact CD1-CD2 3.75Å; I248-F261 HydrophobicContact CD1-CG 4.28Å; I248-K264 HydrophobicContact CD1-CD 4.43Å; I248-K264 HydrophobicContact CG1-CD 3.63Å
249G68.9Low70.9Confident36 Ų3675.8 Ų75.837%0.37141%0.408SS..  trans89.6157.9-16200000110.3K245 D251K245-G249 PolarHBondContact O-N 3.4Å; G249-D251 PolarHBondContact O-N 3.32Å
250E57.1Low70.7Confident128 Ų12878.8 Ų78.860%0.59842%0.417SS*.SBendtrans-8248-179.3-155.3167.113300111.1K180 H252K180-E250 IonicContact NZ-OE1 2.73Å; K180-E250 PolarHBondContact NZ-OE1 3.33Å; K180-E250 IonicContact NZ-OE2 3.68Å; E250-H252 PolarHBondContact O-N 3.48Å; E250-H252 VanDerWaalsContact O-N 3.07Å
251D51.1Low70.6Confident128 Ų12881.6 Ų81.668%0.68443%0.43SS*.  trans-82.379.7-178.8-165.512.3000109.9G249 V253G249-D251 PolarHBondContact O-N 3.32Å; D251-V253 VanDerWaalsContact C-N 3.34Å; D251-V253 PolarHBondContact O-N 3.34Å
252H60.1Low70.7Confident166 Ų16686.3 Ų86.377%0.76945%0.447SS*.  trans-88.949.4-153-136-76.9000114.9E250E250-H252 PolarHBondContact O-N 3.48Å; E250-H252 VanDerWaalsContact O-N 3.07Å
253V47.2Very low70.9Confident117 Ų11787.9 Ų87.971%0.70946%0.457SS*.  trans-125.8111.6-179-1710000113.6D251D251-V253 VanDerWaalsContact C-N 3.34Å; D251-V253 PolarHBondContact O-N 3.34Å
254A53.1Low70.7Confident73 Ų7390 Ų9060%0.60347%0.466SS*.SBendtrans67156.3166.800000119.3Q256A254-Q256 PolarHBondContact O-N 2.89Å
255D57.4Low70.9Confident109 Ų10990.9 Ų90.958%0.58347%0.472SS*.THydrogen-bonded Turntrans-60.5-10.3-170-71.2-88000117.4D257 K258D255-D257 PolarHBondContact O-N 2.83Å; D255-K258 HydrophobicContact CB-CD 4.44Å; D255-K258 PolarHBondContact O-N 3.25Å; D255-K258 VanDerWaalsContact O-N 3.15Å; D255-K258 WeakPolarHBondContact OD1-CE 3.38Å; D255-K258 IonicContact OD1-NZ 2.65Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å
256Q60.9Low71.1Confident137 Ų13791.5 Ų91.564%0.6447%0.47SS*.THydrogen-bonded Turntrans-43.2-41175.4-74.3-82.8-1200112.5A254 K258 S259A254-Q256 PolarHBondContact O-N 2.89Å; Q256-K258 PolarHBondContact O-N 2.97Å; Q256-S259 PolarHBondContact O-OG 2.88Å
257D68.1Low71.5Confident38 Ų3891.1 Ų91.120%0.20346%0.463CS..Hα-helixtrans-80-11.7-169.5-84.748.2000114.5D255 S259 K260 F261D255-D257 PolarHBondContact O-N 2.83Å; D257-S259 PolarHBondContact O-N 3.19Å; D257-K260 PolarHBondContact O-N 3.49Å; D257-K260 VanDerWaalsContact O-N 3.12Å; D257-K260 WeakPolarHBondContact OD1-CD 3.44Å; D257-K260 VanDerWaalsContact OD1-CE 3.27Å; D257-K260 WeakPolarHBondContact OD1-CE 3.45Å; D257-K260 IonicContact OD1-NZ 3.68Å; D257-K260 PolarHBondContact OD1-NZ 3.47Å; D257-K260 IonicContact OD2-NZ 3.83Å; D257-F261 VanDerWaalsContact O-CB 3.32Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å
258K77.6Confident72Confident146 Ų14690 Ų9064%0.63546%0.458SS*.Hα-helixtrans-59.1-37172.4-69.3175.1173.5172.70111.6D255 Q256 K262D255-K258 HydrophobicContact CB-CD 4.44Å; D255-K258 PolarHBondContact O-N 3.25Å; D255-K258 VanDerWaalsContact O-N 3.15Å; D255-K258 WeakPolarHBondContact OD1-CE 3.38Å; D255-K258 IonicContact OD1-NZ 2.65Å; D255-K258 PolarHBondContact OD1-NZ 3.2Å; Q256-K258 PolarHBondContact O-N 2.97Å; K258-K262 WeakPolarHBondContact O-CB 3.25Å; K258-K262 PolarHBondContact O-N 2.99Å; K258-K262 VanDerWaalsContact O-N 3.12Å
259S76.9Confident72.7Confident71 Ų7192.2 Ų92.250%0.49746%0.464SS..Hα-helixtrans-68.7-41.617570.40000112.5Q256 D257 T263Q256-S259 PolarHBondContact O-OG 2.88Å; D257-S259 PolarHBondContact O-N 3.19Å; S259-T263 WeakPolarHBondContact O-CB 3.44Å; S259-T263 PolarHBondContact O-N 3.49Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.02Å
260K80.2Confident73.4Confident93 Ų9391.5 Ų91.540%0.40445%0.451SS..Hα-helixtrans-69.7-41.1-179.5-53.6178.4-159.4159.20110.6D257 T263 K264D257-K260 PolarHBondContact O-N 3.49Å; D257-K260 VanDerWaalsContact O-N 3.12Å; D257-K260 WeakPolarHBondContact OD1-CD 3.44Å; D257-K260 VanDerWaalsContact OD1-CE 3.27Å; D257-K260 WeakPolarHBondContact OD1-CE 3.45Å; D257-K260 IonicContact OD1-NZ 3.68Å; D257-K260 PolarHBondContact OD1-NZ 3.47Å; D257-K260 IonicContact OD2-NZ 3.83Å; K260-T263 PolarHBondContact O-N 3.35Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.46Å
261F83.3Confident74.7Confident61 Ų6186 Ų8627%0.26843%0.426SS..Hα-helixtrans-59.2-54.7172.5-179.1-91.8000111.5D241 A244 K245 I248 D257 T263 K264 V265D241-F261 HydrophobicContact CB-CZ 4.31Å; A244-F261 HydrophobicContact CB-CD2 3.85Å; A244-F261 HydrophobicContact CB-CE2 3.42Å; A244-F261 VanDerWaalsContact CB-CE2 3.42Å; A244-F261 HydrophobicContact CB-CZ 4.05Å; K245-F261 HydrophobicContact CG-CE2 4.22Å; I248-F261 HydrophobicContact CD1-CB 3.8Å; I248-F261 HydrophobicContact CD1-CD2 3.75Å; I248-F261 HydrophobicContact CD1-CG 4.28Å; D257-F261 VanDerWaalsContact O-CB 3.32Å; D257-F261 WeakPolarHBondContact O-CB 3.48Å; D257-F261 PolarHBondContact O-N 3.29Å; F261-T263 PolarHBondContact O-N 2.94Å; F261-K264 PolarHBondContact O-N 3.13Å; F261-K264 VanDerWaalsContact O-N 3.11Å; F261-V265 HydrophobicContact CD1-CG2 3.95Å; F261-V265 HydrophobicContact CD2-CG2 4.45Å; F261-V265 HydrophobicContact CE1-CG2 3.59Å; F261-V265 HydrophobicContact CE2-CG2 4.14Å; F261-V265 HydrophobicContact CG-CG2 4.36Å; F261-V265 HydrophobicContact CZ-CG2 3.69Å; F261-V265 WeakPolarHBondContact O-CB 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.13Å; F261-V265 PolarHBondContact O-N 3.45Å
262K83.3Confident76.4Confident166 Ų16679.9 Ų79.972%0.72239%0.393SS*.Hα-helixtrans-54.4-38.4176.4-174.3175.5-179.2177.60112.3K258 R266K258-K262 WeakPolarHBondContact O-CB 3.25Å; K258-K262 PolarHBondContact O-N 2.99Å; K258-K262 VanDerWaalsContact O-N 3.12Å; K262-R266 PolarHBondContact O-N 3.14Å; K262-R266 VanDerWaalsContact O-N 3.14Å
263T83.3Confident77.5Confident86 Ų8675.2 Ų75.253%0.52837%0.374SS..Hα-helixtrans-70-45.7177.2-55.50000112.4S259 K260 F261 R266 R267S259-T263 WeakPolarHBondContact O-CB 3.44Å; S259-T263 PolarHBondContact O-N 3.49Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.02Å; K260-T263 PolarHBondContact O-N 3.35Å; F261-T263 PolarHBondContact O-N 2.94Å; T263-R266 PolarHBondContact O-N 3.1Å; T263-R267 PolarHBondContact O-N 3.24Å; T263-R267 VanDerWaalsContact O-N 3.12Å
264K82.1Confident79.2Confident45 Ų4569.9 Ų69.920%0.19634%0.342CS..Hα-helixtrans-64.2-46.4176.3-75.7-176.4178.7177.60111.8M222 L247 I248 K260 F261 R266 R267 L268M222-K264 HydrophobicContact CE-CB 4.49Å; M222-K264 HydrophobicContact CE-CG 3.83Å; M222-K264 HydrophobicContact SD-CB 4.43Å; M222-K264 HydrophobicContact SD-CG 4.35Å; L247-K264 PolarHBondContact O-NZ 3.12Å; I248-K264 HydrophobicContact CD1-CD 4.43Å; I248-K264 HydrophobicContact CG1-CD 3.63Å; K260-K264 WeakPolarHBondContact O-CG 3.4Å; K260-K264 PolarHBondContact O-N 3.46Å; F261-K264 PolarHBondContact O-N 3.13Å; F261-K264 VanDerWaalsContact O-N 3.11Å; K264-R266 VanDerWaalsContact C-N 3.27Å; K264-R266 PolarHBondContact O-N 2.86Å; K264-R267 CarbonylContact O-C 3.53Å; K264-R267 WeakPolarHBondContact O-CA 3.13Å; K264-R267 PolarHBondContact O-N 3.32Å; K264-L268 WeakPolarHBondContact O-CG 3.4Å; K264-L268 PolarHBondContact O-N 2.91Å
265V86.3Confident80.5Confident19 Ų1966.9 Ų66.912%0.11532%0.315CS..Hα-helixtrans-52.6-45.4173.3167.20000110.8A244 F261 R267 L268 Y269A244-V265 HydrophobicContact CB-CG2 3.47Å; A244-V265 VanDerWaalsContact CB-CG2 3.47Å; F261-V265 HydrophobicContact CD1-CG2 3.95Å; F261-V265 HydrophobicContact CD2-CG2 4.45Å; F261-V265 HydrophobicContact CE1-CG2 3.59Å; F261-V265 HydrophobicContact CE2-CG2 4.14Å; F261-V265 HydrophobicContact CG-CG2 4.36Å; F261-V265 HydrophobicContact CZ-CG2 3.69Å; F261-V265 WeakPolarHBondContact O-CB 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.13Å; F261-V265 PolarHBondContact O-N 3.45Å; V265-R267 PolarHBondContact O-N 2.84Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3.41Å; V265-L268 VanDerWaalsContact O-N 3.17Å; V265-Y269 HydrophobicContact CG1-CD2 3.95Å; V265-Y269 HydrophobicContact CG1-CE2 3.56Å; V265-Y269 WeakPolarHBondContact O-CD2 3.13Å; V265-Y269 PolarHBondContact O-N 3.05Å
266R86.1Confident81.7Confident156 Ų15668.1 Ų68.159%0.58931%0.312SS*.Hα-helixtrans-60.4-41.5175.1-177.4144.9-179.167-2.4112.8K262 T263 K264 L268 Y269 D270K262-R266 PolarHBondContact O-N 3.14Å; K262-R266 VanDerWaalsContact O-N 3.14Å; T263-R266 PolarHBondContact O-N 3.1Å; K264-R266 VanDerWaalsContact C-N 3.27Å; K264-R266 PolarHBondContact O-N 2.86Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-Y269 PolarHBondContact O-N 3.43Å; R266-D270 VanDerWaalsContact O-CG 3.3Å; R266-D270 PolarHBondContact O-N 3.06Å; R266-D270 VanDerWaalsContact O-N 3.08Å
267R88.1Confident82.5Confident72 Ų7262 Ų6227%0.27228%0.284SS..Hα-helixtrans-69.5-28.4175.3-62.5-42.5-178.7-171.12.2113.6F113 L219 M222 T263 K264 V265 D270 I271F113-R267 VanDerWaalsContact CE1-NH1 3.32Å; F113-R267 VanDerWaalsContact CZ-NH1 3.31Å; L219-R267 HydrophobicContact CD1-CB 3.83Å; L219-R267 HydrophobicContact CD1-CG 4.12Å; M222-R267 HydrophobicContact CE-CB 4.24Å; M222-R267 HydrophobicContact SD-CB 3.62Å; T263-R267 PolarHBondContact O-N 3.24Å; T263-R267 VanDerWaalsContact O-N 3.12Å; K264-R267 CarbonylContact O-C 3.53Å; K264-R267 WeakPolarHBondContact O-CA 3.13Å; K264-R267 PolarHBondContact O-N 3.32Å; V265-R267 PolarHBondContact O-N 2.84Å; R267-D270 WeakPolarHBondContact CD-OD2 3.18Å; R267-D270 IonicContact CZ-OD2 2.82Å; R267-D270 IonicContact NE-OD2 2.76Å; R267-D270 IonicContact NH1-OD2 3.3Å; R267-D270 PolarHBondContact NH1-OD2 3.32Å; R267-D270 WeakPolarHBondContact O-CB 3.38Å; R267-D270 PolarHBondContact O-N 2.71Å; R267-I271 WeakPolarHBondContact O-CD1 3.23Å; R267-I271 VanDerWaalsContact O-CG1 3.24Å; R267-I271 WeakPolarHBondContact O-CG1 3.29Å; R267-I271 PolarHBondContact O-N 3.47Å
268L86.6Confident82.6Confident0 Ų062.6 Ų62.60%029%0.287CS..Hα-helixtrans-69.3-37.3171.4-67.6179.7000112.3M222 F226 L240 A243 A244 L247 K264 V265 R266 I271 A272M222-L268 HydrophobicContact CG-CD2 4.26Å; M222-L268 HydrophobicContact SD-CD2 4.42Å; F226-L268 HydrophobicContact CB-CD2 4.04Å; F226-L268 HydrophobicContact CD1-CD2 4.2Å; F226-L268 HydrophobicContact CD2-CD2 3.66Å; F226-L268 HydrophobicContact CE2-CD2 4.08Å; F226-L268 HydrophobicContact CG-CD2 3.72Å; L240-L268 HydrophobicContact CD1-CB 4.43Å; L240-L268 HydrophobicContact CD2-CB 4.23Å; A243-L268 HydrophobicContact CB-CD1 3.87Å; A244-L268 HydrophobicContact CB-CD1 3.96Å; L247-L268 HydrophobicContact CD1-CD1 3.97Å; L247-L268 HydrophobicContact CD1-CD2 3.65Å; L247-L268 HydrophobicContact CD1-CG 4.31Å; K264-L268 WeakPolarHBondContact O-CG 3.4Å; K264-L268 PolarHBondContact O-N 2.91Å; V265-L268 WeakPolarHBondContact O-CB 3.49Å; V265-L268 PolarHBondContact O-N 3.41Å; V265-L268 VanDerWaalsContact O-N 3.17Å; R266-L268 VanDerWaalsContact C-N 3.34Å; L268-I271 HydrophobicContact CD2-CD1 4.42Å; L268-I271 PolarHBondContact O-N 2.91Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.73Å
269Y88.5Confident82.5Confident89 Ų8963 Ų6335%0.34929%0.289SS..Hα-helixtrans-61.2-43.7167.9-76.3-72.8000111.6L240 V265 R266 A272 N273L240-Y269 HydrophobicContact CD1-CD1 3.48Å; L240-Y269 VanDerWaalsContact CD1-CD1 3.48Å; L240-Y269 HydrophobicContact CD1-CD2 3.98Å; L240-Y269 HydrophobicContact CD1-CE1 3.46Å; L240-Y269 VanDerWaalsContact CD1-CE1 3.46Å; L240-Y269 HydrophobicContact CD1-CE2 3.95Å; L240-Y269 HydrophobicContact CD1-CG 3.74Å; V265-Y269 HydrophobicContact CG1-CD2 3.95Å; V265-Y269 HydrophobicContact CG1-CE2 3.56Å; V265-Y269 WeakPolarHBondContact O-CD2 3.13Å; V265-Y269 PolarHBondContact O-N 3.05Å; R266-Y269 PolarHBondContact O-N 3.43Å; Y269-A272 PolarHBondContact O-N 3.01Å; Y269-N273 WeakPolarHBondContact O-CB 3.13Å; Y269-N273 VanDerWaalsContact O-CG 3.25Å; Y269-N273 PolarHBondContact O-N 2.83Å; Y269-N273 PolarHBondContact O-ND2 3.36Å
270D85.2Confident82.4Confident21 Ų2161 Ų6111%0.11227%0.272CS..Hα-helixtrans-58.8-48.8176.9-58.7-27.1000111.1L77 R266 R267 V274L77-D270 HydrophobicContact CD2-CB 4.18Å; R266-D270 VanDerWaalsContact O-CG 3.3Å; R266-D270 PolarHBondContact O-N 3.06Å; R266-D270 VanDerWaalsContact O-N 3.08Å; R267-D270 WeakPolarHBondContact CD-OD2 3.18Å; R267-D270 IonicContact CZ-OD2 2.82Å; R267-D270 IonicContact NE-OD2 2.76Å; R267-D270 IonicContact NH1-OD2 3.3Å; R267-D270 PolarHBondContact NH1-OD2 3.32Å; R267-D270 WeakPolarHBondContact O-CB 3.38Å; R267-D270 PolarHBondContact O-N 2.71Å; D270-V274 PolarHBondContact O-N 3.43Å
271I84.1Confident82.4Confident12 Ų1256.7 Ų56.76%0.06225%0.254CS..Hα-helixtrans-65.9-45.1179.1-65.2158.7000111.7L219 M222 F226 R267 L268 N273 V274 L275L219-I271 HydrophobicContact CD1-CD1 3.82Å; L219-I271 HydrophobicContact CD1-CG1 4.2Å; M222-I271 HydrophobicContact CG-CD1 4.38Å; M222-I271 HydrophobicContact SD-CD1 4.47Å; F226-I271 HydrophobicContact CD1-CB 4.4Å; F226-I271 HydrophobicContact CD1-CG2 3.67Å; F226-I271 HydrophobicContact CE1-CG2 4.1Å; R267-I271 WeakPolarHBondContact O-CD1 3.23Å; R267-I271 VanDerWaalsContact O-CG1 3.24Å; R267-I271 WeakPolarHBondContact O-CG1 3.29Å; R267-I271 PolarHBondContact O-N 3.47Å; L268-I271 HydrophobicContact CD2-CD1 4.42Å; L268-I271 PolarHBondContact O-N 2.91Å; I271-N273 VanDerWaalsContact C-N 3.3Å; I271-N273 PolarHBondContact O-N 2.88Å; I271-V274 PolarHBondContact O-N 3.06Å; I271-V274 VanDerWaalsContact O-N 3.13Å; I271-L275 HydrophobicContact CG2-CD1 3.88Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 PolarHBondContact O-N 3.31Å
272A85.3Confident82.3Confident0 Ų058.2 Ų58.20%026%0.262CS..Hα-helixtrans-64.5-34-178.800000112.3F226 L268 Y269 R276 I281 F296F226-A272 HydrophobicContact CE1-CB 4.15Å; F226-A272 HydrophobicContact CZ-CB 4.3Å; L268-A272 WeakPolarHBondContact O-CB 3.17Å; L268-A272 PolarHBondContact O-N 2.73Å; Y269-A272 PolarHBondContact O-N 3.01Å; A272-R276 VanDerWaalsContact O-CB 3.24Å; A272-R276 WeakPolarHBondContact O-CB 3.21Å; A272-R276 PolarHBondContact O-N 2.94Å; A272-I281 HydrophobicContact CB-CD1 4.02Å; A272-F296 HydrophobicContact CB-CD1 4.22Å; A272-F296 HydrophobicContact CB-CD2 4.38Å; A272-F296 HydrophobicContact CB-CE1 3.85Å; A272-F296 HydrophobicContact CB-CE2 4.06Å; A272-F296 HydrophobicContact CB-CG 4.47Å; A272-F296 HydrophobicContact CB-CZ 3.77Å
273N85Confident82.3Confident69 Ų6954 Ų5437%0.36924%0.244SC..Hα-helixtrans-66.6-35.3173.4-73.7-39.9000112.6Y269 I271 S277Y269-N273 WeakPolarHBondContact O-CB 3.13Å; Y269-N273 VanDerWaalsContact O-CG 3.25Å; Y269-N273 PolarHBondContact O-N 2.83Å; Y269-N273 PolarHBondContact O-ND2 3.36Å; I271-N273 VanDerWaalsContact C-N 3.3Å; I271-N273 PolarHBondContact O-N 2.88Å; N273-S277 WeakPolarHBondContact O-CB 3.48Å; N273-S277 PolarHBondContact O-N 3.06Å; N273-S277 VanDerWaalsContact O-N 3.12Å; N273-S277 PolarHBondContact O-OG 3.07Å
274V81.9Confident81.9Confident5 Ų555.2 Ų55.23%0.0324%0.242CC..Hα-helixtrans-69.2-49.8173.3174.20000110.5L77 D270 I271 R276 S277 L278L77-V274 HydrophobicContact CD1-CG2 4.18Å; L77-V274 HydrophobicContact CD2-CG2 3.86Å; L77-V274 HydrophobicContact CG-CG2 3.9Å; D270-V274 PolarHBondContact O-N 3.43Å; I271-V274 PolarHBondContact O-N 3.06Å; I271-V274 VanDerWaalsContact O-N 3.13Å; V274-R276 VanDerWaalsContact C-N 3.28Å; V274-R276 PolarHBondContact O-N 3.03Å; V274-S277 WeakPolarHBondContact O-CA 3.47Å; V274-S277 WeakPolarHBondContact O-CB 3.34Å; V274-S277 PolarHBondContact O-N 3.36Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å; V274-L278 PolarHBondContact O-N 3.31Å
275L80.3Confident81.4Confident9 Ų958.7 Ų58.75%0.04726%0.258CS..Hα-helixtrans-60.6-34.6178-68.6174.6000112.9F226 V227 I271 L278 K279 L280 I281F226-L275 HydrophobicContact CD1-CD1 4.03Å; F226-L275 HydrophobicContact CE1-CD1 4.03Å; V227-L275 HydrophobicContact CG2-CD1 3.99Å; V227-L275 HydrophobicContact CG2-CD2 4.24Å; I271-L275 HydrophobicContact CG2-CD1 3.88Å; I271-L275 HydrophobicContact CG2-CG 4.24Å; I271-L275 PolarHBondContact O-N 3.31Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 CarbonylContact O-C 3.57Å; L275-L278 PolarHBondContact O-N 3.09Å; L275-K279 PolarHBondContact O-N 3.5Å; L275-L280 HydrophobicContact CD2-CD1 3.99Å; L275-L280 PolarHBondContact O-N 3.18Å; L275-L280 VanDerWaalsContact O-N 3.12Å; L275-I281 HydrophobicContact CB-CD1 3.62Å; L275-I281 HydrophobicContact CB-CG1 3.76Å; L275-I281 HydrophobicContact CB-CG2 4.41Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å
276R83.8Confident80.5Confident135 Ų13560.1 Ų60.151%0.50927%0.267SS..Hα-helixtrans-70.1-32.5172.8-177.1175.5-178.9-83.7-5.3112.7A272 V274 L278 K279 I281A272-R276 VanDerWaalsContact O-CB 3.24Å; A272-R276 WeakPolarHBondContact O-CB 3.21Å; A272-R276 PolarHBondContact O-N 2.94Å; V274-R276 VanDerWaalsContact C-N 3.28Å; V274-R276 PolarHBondContact O-N 3.03Å; R276-L278 VanDerWaalsContact C-N 3.34Å; R276-K279 PolarHBondContact O-N 3.17Å; R276-K279 VanDerWaalsContact O-N 3.17Å; R276-I281 WeakPolarHBondContact CA-O 3.37Å; R276-I281 HydrophobicContact CB-CG1 4.25Å
277S75.7Confident78.8Confident9 Ų958.9 Ų58.96%0.06328%0.277CS..Hα-helixtrans-72.9-30.4175.1-55.70000111.8G78 H82 N273 V274 K279G78-S277 WeakPolarHBondContact CA-OG 3.32Å; H82-S277 WeakPolarHBondContact CE1-CB 3.48Å; H82-S277 PolarHBondContact CE1-OG 3.05Å; H82-S277 VanDerWaalsContact CE1-OG 3.31Å; N273-S277 WeakPolarHBondContact O-CB 3.48Å; N273-S277 PolarHBondContact O-N 3.06Å; N273-S277 VanDerWaalsContact O-N 3.12Å; N273-S277 PolarHBondContact O-OG 3.07Å; V274-S277 WeakPolarHBondContact O-CA 3.47Å; V274-S277 WeakPolarHBondContact O-CB 3.34Å; V274-S277 PolarHBondContact O-N 3.36Å; S277-K279 PolarHBondContact O-N 3.02Å
278L72.1Confident77.3Confident51 Ų5160.5 Ų60.527%0.26729%0.288SS..THydrogen-bonded Turntrans-76.46.5167.9-65.9164.5000113.4L85 V274 L275 R276 L280L85-L278 HydrophobicContact CD1-CD2 3.91Å; L85-L278 HydrophobicContact CD2-CD2 3.83Å; L85-L278 HydrophobicContact CG-CD2 4.45Å; V274-L278 HydrophobicContact CG1-CD1 4Å; V274-L278 WeakPolarHBondContact O-CG 3.31Å; V274-L278 PolarHBondContact O-N 3.31Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 CarbonylContact O-C 3.57Å; L275-L278 PolarHBondContact O-N 3.09Å; R276-L278 VanDerWaalsContact C-N 3.34Å; L278-L280 HydrophobicContact CB-CD1 4.13Å; L278-L280 HydrophobicContact CB-CG 4.1Å; L278-L280 HydrophobicContact CD1-CD1 4.43Å; L278-L280 PolarHBondContact O-N 2.93Å
279K74.9Confident75.5Confident153 Ų15366.1 Ų66.167%0.66533%0.334SS*.THydrogen-bonded Turntrans57.8-3.2-174.6-60.3177.2-177.8170.50116.8L275 R276 S277 I281L275-K279 PolarHBondContact O-N 3.5Å; R276-K279 PolarHBondContact O-N 3.17Å; R276-K279 VanDerWaalsContact O-N 3.17Å; S277-K279 PolarHBondContact O-N 3.02Å; K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.36Å
280L73.6Confident73.8Confident29 Ų2965.2 Ų65.215%0.15235%0.352CS..SBendtrans-62.5-28.1-177.3-64.1174.1000114.4L275 L278 W298 I299 G300L275-L280 HydrophobicContact CD2-CD1 3.99Å; L275-L280 PolarHBondContact O-N 3.18Å; L275-L280 VanDerWaalsContact O-N 3.12Å; L278-L280 HydrophobicContact CB-CD1 4.13Å; L278-L280 HydrophobicContact CB-CG 4.1Å; L278-L280 HydrophobicContact CD1-CD1 4.43Å; L278-L280 PolarHBondContact O-N 2.93Å; L280-W298 HydrophobicContact CB-CH2 4.22Å; L280-W298 HydrophobicContact CB-CZ3 4.25Å; L280-W298 HydrophobicContact CD1-CH2 4.39Å; L280-I299 PolarHBondContact O-N 2.96Å; L280-G300 PolarHBondContact O-N 2.89Å
281I80.6Confident72.4Confident3 Ų366 Ų662%0.01537%0.365CS..EExtended strand (participates in β ladder)trans-132.5140.6177.171.4-179.5000112.6F230 A272 L275 R276 K279 F296 K297 W298F230-I281 HydrophobicContact CE1-CG2 4.28Å; F230-I281 HydrophobicContact CZ-CD1 4.25Å; F230-I281 HydrophobicContact CZ-CG2 4.27Å; A272-I281 HydrophobicContact CB-CD1 4.02Å; L275-I281 HydrophobicContact CB-CD1 3.62Å; L275-I281 HydrophobicContact CB-CG1 3.76Å; L275-I281 HydrophobicContact CB-CG2 4.41Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å; R276-I281 WeakPolarHBondContact CA-O 3.37Å; R276-I281 HydrophobicContact CB-CG1 4.25Å; K279-I281 VanDerWaalsContact C-N 3.28Å; K279-I281 PolarHBondContact O-N 3.36Å; I281-F296 HydrophobicContact CD1-CB 3.99Å; I281-F296 HydrophobicContact CD1-CD1 3.63Å; I281-F296 HydrophobicContact CD1-CE1 4.43Å; I281-F296 HydrophobicContact CD1-CG 3.97Å; I281-F296 HydrophobicContact CG1-CD1 4.04Å; I281-K297 CarbonylContact C-O 3.54Å; I281-K297 VanDerWaalsContact CA-O 3.24Å; I281-K297 WeakPolarHBondContact CA-O 3.45Å; I281-K297 WeakPolarHBondContact CB-O 3.2Å; I281-W298 HydrophobicContact CG2-CE3 3.59Å; I281-W298 HydrophobicContact CG2-CZ3 4.02Å
282E80.8Confident71Confident94 Ų9476.1 Ų76.144%0.43940%0.403SS..EExtended strand (participates in β ladder)trans-90.4160168.3-133.1-159.5139.500111.9F296 K297 I299E282-F296 CarbonylContact O-C 3.57Å; E282-F296 WeakPolarHBondContact O-CA 3.19Å; E282-F296 WeakPolarHBondContact O-CB 3.4Å; E282-F296 VanDerWaalsContact O-CD1 3.32Å; E282-F296 WeakPolarHBondContact O-CD1 3.15Å; E282-K297 PolarHBondContact N-O 3.35Å; E282-K297 PolarHBondContact O-N 2.89Å; E282-I299 HydrophobicContact CB-CD1 3.65Å; E282-I299 HydrophobicContact CB-CG1 4.14Å; E282-I299 HydrophobicContact CG-CD1 3.8Å
283K83.3Confident70.2Confident78 Ų7879.8 Ų79.834%0.33942%0.418SS..  trans-101.990.4170.7-174.8-143.2174.7-175.30109.8H285 F296K283-H285 PolarHBondContact NZ-NE2 3.04Å; K283-H285 VanDerWaalsContact NZ-NE2 3.12Å; K283-F296 HydrophobicContact CB-CD1 4.17Å; K283-F296 HydrophobicContact CB-CE1 3.85Å; K283-F296 HydrophobicContact CG-CD1 4.47Å; K283-F296 HydrophobicContact CG-CE1 3.91Å; K283-F296 HydrophobicContact CG-CZ 4.11Å
284F75.6Confident69.6Low111 Ų11178.3 Ų78.349%0.48741%0.413SS..  trans-91.9143.9176.9-172-98.8000111.3V286 A295F284-V286 HydrophobicContact CD1-CG2 4.1Å; F284-V286 HydrophobicContact CE1-CG2 4.46Å; F284-A295 PolarHBondContact N-O 3.22Å; F284-A295 CarbonylContact O-C 3.3Å; F284-A295 VanDerWaalsContact O-C 3.3Å; F284-A295 WeakPolarHBondContact O-CA 3.28Å; F284-A295 PolarHBondContact O-N 2.82Å
285H71Confident69.5Low117 Ų11778 Ų7854%0.54241%0.411SS..EExtended strand (participates in β ladder)trans-94.8110.6174.8-6593.9000110.3K283 T287 K293K283-H285 PolarHBondContact NZ-NE2 3.04Å; K283-H285 VanDerWaalsContact NZ-NE2 3.12Å; H285-T287 PolarHBondContact O-N 2.76Å; H285-K293 WeakPolarHBondContact CA-O 3.49Å
286V68.1Low69.7Low49 Ų4977.9 Ų77.930%0.29741%0.41SS..EExtended strand (participates in β ladder)trans-78.5122176.8165.90000109.6V237 F284 E288 K293 A295V237-V286 HydrophobicContact CG1-CG2 3.71Å; F284-V286 HydrophobicContact CD1-CG2 4.1Å; F284-V286 HydrophobicContact CE1-CG2 4.46Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 HydrophobicContact CG1-CB 4.41Å; V286-E288 PolarHBondContact O-N 3.21Å; V286-E288 VanDerWaalsContact O-N 3.09Å; V286-K293 PolarHBondContact N-O 3.42Å; V286-K293 PolarHBondContact O-N 3.41Å; V286-A295 HydrophobicContact CB-CB 4.09Å; V286-A295 HydrophobicContact CG2-CB 3.47Å; V286-A295 VanDerWaalsContact CG2-CB 3.47Å
287T51.4Low69.7Low131 Ų13176.3 Ų76.380%0.80441%0.407SS*.EExtended strand (participates in β ladder)trans-80.178.3170.6-53.50000109.6H285H285-T287 PolarHBondContact O-N 2.76Å
288E55.4Low70Confident106 Ų10677.7 Ų77.750%0.49541%0.411SS..EExtended strand (participates in β ladder)trans-81.8150.9162.5-168.9178.9-150.600108.9V286 G290 G291 K293V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 HydrophobicContact CG1-CB 4.41Å; V286-E288 PolarHBondContact O-N 3.21Å; V286-E288 VanDerWaalsContact O-N 3.09Å; E288-G290 PolarHBondContact O-N 3.28Å; E288-G291 PolarHBondContact O-N 2.92Å; E288-K293 WeakPolarHBondContact OE2-CE 3.35Å; E288-K293 IonicContact OE2-NZ 2.99Å; E288-K293 PolarHBondContact OE2-NZ 3.23Å
289A47.9Very low70.1Confident117 Ų11779.4 Ų79.497%0.96742%0.419SS*.THydrogen-bonded Turntrans-62.94.2-172.300000116.2
290G53.6Low69.5Low70 Ų7072.2 Ų72.272%0.72239%0.389SS*.THydrogen-bonded Turntrans-117.310.1174.400000115.1E288E288-G290 PolarHBondContact O-N 3.28Å
291G55Low68.3Low39 Ų3972.3 Ų72.340%0.40239%0.391SS..EExtended strand (participates in β ladder)trans128.5171.2169.700000116.1E288 K293E288-G291 PolarHBondContact O-N 2.92Å; G291-K293 PolarHBondContact O-N 2.91Å
292R55.4Low66.4Low224 Ų22476.5 Ų76.585%0.84542%0.417SS*.EExtended strand (participates in β ladder)trans-70.884.6-175.2-64.1-179.1-178.7175.50.3112.4
293K69.6Low64.2Low76 Ų7680.4 Ų80.433%0.3344%0.435SS..EExtended strand (participates in β ladder)trans-83.8137.8177.7-66.8178-174.6174.30111.3H285 V286 E288 G291 A295H285-K293 WeakPolarHBondContact CA-O 3.49Å; V286-K293 PolarHBondContact N-O 3.42Å; V286-K293 PolarHBondContact O-N 3.41Å; E288-K293 WeakPolarHBondContact OE2-CE 3.35Å; E288-K293 IonicContact OE2-NZ 2.99Å; E288-K293 PolarHBondContact OE2-NZ 3.23Å; G291-K293 PolarHBondContact O-N 2.91Å; K293-A295 PolarHBondContact O-N 3.41Å
294P71.1Confident61.7Low38 Ų3883.7 Ų83.725%0.24746%0.456CS..EExtended strand (participates in β ladder)trans-71.811317030.4-32.3000109.5
295A81Confident59.7Low0 Ų083.4 Ų83.40%047%0.465CS..EExtended strand (participates in β ladder)trans-104.8177.416500000109.3V237 F284 V286 K293V237-A295 HydrophobicContact CG1-CB 3.88Å; F284-A295 PolarHBondContact N-O 3.22Å; F284-A295 CarbonylContact O-C 3.3Å; F284-A295 VanDerWaalsContact O-C 3.3Å; F284-A295 WeakPolarHBondContact O-CA 3.28Å; F284-A295 PolarHBondContact O-N 2.82Å; V286-A295 HydrophobicContact CB-CB 4.09Å; V286-A295 HydrophobicContact CG2-CB 3.47Å; V286-A295 VanDerWaalsContact CG2-CB 3.47Å; K293-A295 PolarHBondContact O-N 3.41Å
296F84.3Confident57.7Low6 Ų683.3 Ų83.33%0.02647%0.474CS..EExtended strand (participates in β ladder)trans-129.6139.9172.6-65-93.9000109.1F230 V237 V238 L240 A272 I281 E282 K283F230-F296 HydrophobicContact CE1-CB 3.83Å; F230-F296 HydrophobicContact CZ-CB 3.83Å; V237-F296 CarbonylContact C-O 3.53Å; V237-F296 VanDerWaalsContact CA-O 3.28Å; V237-F296 WeakPolarHBondContact CA-O 3.4Å; V238-F296 PolarHBondContact N-O 3.14Å; V238-F296 PolarHBondContact O-N 2.95Å; L240-F296 HydrophobicContact CD1-CE2 3.83Å; L240-F296 HydrophobicContact CD2-CD2 3.67Å; L240-F296 HydrophobicContact CD2-CE2 3.7Å; L240-F296 HydrophobicContact CG-CD2 4.1Å; L240-F296 HydrophobicContact CG-CE2 3.75Å; A272-F296 HydrophobicContact CB-CD1 4.22Å; A272-F296 HydrophobicContact CB-CD2 4.38Å; A272-F296 HydrophobicContact CB-CE1 3.85Å; A272-F296 HydrophobicContact CB-CE2 4.06Å; A272-F296 HydrophobicContact CB-CG 4.47Å; A272-F296 HydrophobicContact CB-CZ 3.77Å; I281-F296 HydrophobicContact CD1-CB 3.99Å; I281-F296 HydrophobicContact CD1-CD1 3.63Å; I281-F296 HydrophobicContact CD1-CE1 4.43Å; I281-F296 HydrophobicContact CD1-CG 3.97Å; I281-F296 HydrophobicContact CG1-CD1 4.04Å; E282-F296 CarbonylContact O-C 3.57Å; E282-F296 WeakPolarHBondContact O-CA 3.19Å; E282-F296 WeakPolarHBondContact O-CB 3.4Å; E282-F296 VanDerWaalsContact O-CD1 3.32Å; E282-F296 WeakPolarHBondContact O-CD1 3.15Å; K283-F296 HydrophobicContact CB-CD1 4.17Å; K283-F296 HydrophobicContact CB-CE1 3.85Å; K283-F296 HydrophobicContact CG-CD1 4.47Å; K283-F296 HydrophobicContact CG-CE1 3.91Å; K283-F296 HydrophobicContact CG-CZ 4.11Å
297K83Confident56Low101 Ų10187.8 Ų87.844%0.43950%0.502SS..EExtended strand (participates in β ladder)trans-106.3134.9173.5-174.4-165.3169.2-167.70107.9H236 V237 I281 E282 I299H236-K297 WeakPolarHBondContact O-CA 3.32Å; V237-K297 HydrophobicContact CG2-CB 4.2Å; V237-K297 HydrophobicContact CG2-CG 4.03Å; I281-K297 CarbonylContact C-O 3.54Å; I281-K297 VanDerWaalsContact CA-O 3.24Å; I281-K297 WeakPolarHBondContact CA-O 3.45Å; I281-K297 WeakPolarHBondContact CB-O 3.2Å; E282-K297 PolarHBondContact N-O 3.35Å; E282-K297 PolarHBondContact O-N 2.89Å; K297-I299 PolarHBondContact O-N 2.71Å
298W83Confident55.1Low38 Ų3889.5 Ų89.514%0.14450%0.5CS..EExtended strand (participates in β ladder)trans-66.1124.5166.1-168.6-103.3000109.7V227 F230 L231 H236 L280 I281 G300V227-W298 HydrophobicContact CG1-CH2 4.21Å; V227-W298 HydrophobicContact CG1-CZ3 4.25Å; F230-W298 HydrophobicContact CB-CB 4.16Å; F230-W298 HydrophobicContact CB-CD2 4.17Å; F230-W298 HydrophobicContact CB-CE3 3.75Å; F230-W298 HydrophobicContact CB-CG 4.36Å; F230-W298 HydrophobicContact CD1-CB 4.13Å; F230-W298 HydrophobicContact CD1-CE3 4.48Å; F230-W298 HydrophobicContact CD2-CE3 4.36Å; F230-W298 HydrophobicContact CG-CB 4.49Å; F230-W298 AromaticContact CG-CE3 3.97Å; F230-W298 HydrophobicContact CG-CE3 3.97Å; L231-W298 HydrophobicContact CD2-CZ2 4.18Å; H236-W298 HydrophobicContact CB-CB 3.87Å; H236-W298 PolarHBondContact O-N 2.86Å; L280-W298 HydrophobicContact CB-CH2 4.22Å; L280-W298 HydrophobicContact CB-CZ3 4.25Å; L280-W298 HydrophobicContact CD1-CH2 4.39Å; I281-W298 HydrophobicContact CG2-CE3 3.59Å; I281-W298 HydrophobicContact CG2-CZ3 4.02Å; W298-G300 VanDerWaalsContact NE1-CA 3.34Å
299I73.1Confident53.7Low87 Ų8791.5 Ų91.545%0.44652%0.515SS..  trans-95.8-39.6166.3-68.5177.9000108.9L280 E282 K297L280-I299 PolarHBondContact O-N 2.96Å; E282-I299 HydrophobicContact CB-CD1 3.65Å; E282-I299 HydrophobicContact CB-CG1 4.14Å; E282-I299 HydrophobicContact CG-CD1 3.8Å; K297-I299 PolarHBondContact O-N 2.71Å
300G63.3Low53Low3 Ų394.6 Ų94.63%0.03151%0.514CS..  trans79.7-171.1-172.400000112.9L280 W298L280-G300 PolarHBondContact O-N 2.89Å; W298-G300 VanDerWaalsContact NE1-CA 3.34Å
301P48.7Very low51.8Low30 Ų3095.6 Ų95.620%0.19551%0.51CS..SBendtrans-59.1148.4165-19.434.1000110.2E303P301-E303 PolarHBondContact O-N 3.29Å
302V39.4Very low50.5Low92 Ų92103.1 Ų103.156%0.55853%0.532SS*.  trans-67115.5-171.7176.30000111L304V302-L304 HydrophobicContact CG1-CD2 4.48Å; V302-L304 PolarHBondContact O-N 3.46Å
303E34.4Very low49Very low175 Ų17598.2 Ų98.282%0.81853%0.532SS*.  trans-60.2106.6156.9-74.9-178.6132.400108.2P301P301-E303 PolarHBondContact O-N 3.29Å
304L32.1Very low46.9Very low148 Ų14899.7 Ų99.778%0.77555%0.552SS**  trans-66.2130.5161.7-67.4175.3000107.3V302V302-L304 HydrophobicContact CG1-CD2 4.48Å; V302-L304 PolarHBondContact O-N 3.46Å
305P32.5Very low44.7Very low104 Ų104102.6 Ų102.668%0.67557%0.573SS**  trans-63.4134.9-174.725.1-33.8000110.6V307P305-V307 PolarHBondContact O-N 3.05Å; P305-V307 VanDerWaalsContact O-N 3.12Å
306P29.1Very low41.9Very low115 Ų115112 Ų11275%0.74762%0.617SS**  trans-68112.9-179.827.2-33.7000110.1Q308P306-Q308 PolarHBondContact O-N 3.36Å; P306-Q308 VanDerWaalsContact O-N 3.1Å
307V32.6Very low39Very low144 Ų144121.6 Ų121.687%0.87366%0.659SS**  trans-73.2100.9172.5179.90000108.3P305P305-V307 PolarHBondContact O-N 3.05Å; P305-V307 VanDerWaalsContact O-N 3.12Å
308Q33.5Very low36.5Very low166 Ų166122.4 Ų122.478%0.77668%0.675SS**  trans-92.6115.1169.5-72.9-172.7-1200110.6P306P306-Q308 PolarHBondContact O-N 3.36Å; P306-Q308 VanDerWaalsContact O-N 3.1Å
309D26.1Very low33.8Very low148 Ų148125.7 Ų125.779%0.79170%0.703SS**  trans16108.9150.5-56.2-44.6000118.9
310L32.3Very low31.7Very low182 Ų182129.8 Ų129.895%0.95372%0.721SS**  trans-108.9132.9136.5-105.379.5000108.3
311S28.8Very low30Very low92 Ų92139.5 Ų139.564%0.64376%0.762SS**  trans-128.2146.8-17771.80000112.8
312K27.2Very low29.1Very low196 Ų196147.2 Ų147.285%0.85279%0.793SS**  trans72.7113.8166.2-53.6168.9-174.7174.30117.8
313S24.7Very low28.5Very low121 Ų121154.6 Ų154.685%0.84681%0.81SS**  -159.8171104.851.90000111.3
314S24.9Very low28Very low107 Ų107151.7 Ų151.775%0.74880%0.804SS**  trans-18.7132.4177.5-78.20000118.7
315S25.3Very low27.8Very low100 Ų100152.5 Ų152.570%0.69981%0.809SS**  cis90.210245.977.20000114.7
316E21.8Very low27.5Very low196 Ų196155.2 Ų155.292%0.91681%0.812SS**  trans178.2150.4131.5-99.4179.3151.300111.4
317F23.1Very low27.5Very low209 Ų209154.9 Ų154.992%0.91781%0.81SS**  trans-132.3132.7170.3-87.7-75.1000108.3
318P31.8Very low27.3Very low118 Ų118154 Ų15477%0.76681%0.81SS**  -142.8171.811018.14.9000112.6
319S25.4Very low27.3Very low107 Ų107151.2 Ų151.275%0.74880%0.804SS**  cis-160.8154-13-111.70000112.1
320Q28.9Very low27.4Very low173 Ų173151.8 Ų151.881%0.80880%0.802SS**  trans4.5136.6157.1-53.2-179.10.600121.5
321K27.6Very low27.6Very low206 Ų206150.2 Ų150.290%0.89680%0.795SS**  -165138.1108.1-106.7161.4-174.1170.60113.9
322K29.8Very low27.6Very low193 Ų193150.2 Ų150.284%0.83979%0.794SS**  trans-78.8150166.7-75.4-178174.2-178.90110.6
323R25.9Very low28Very low247 Ų247145.5 Ų145.593%0.93279%0.792SS**  -140.7140.1128.5-99.9-171.3-179.6-178.30.2110.2
324V24.8Very low28.8Very low113 Ų113148 Ų14869%0.68579%0.787SS**  trans-109.3144.6170.2171.70000106.4
325L28.5Very low29.3Very low166 Ų166150.8 Ų150.887%0.86979%0.793SS**  trans-153.8131.5158.8-108.9168.3000109.2
326E25.7Very low29.8Very low160 Ų160152.6 Ų152.675%0.74880%0.795SS**PPolyproline II helixtrans-80157.2-179.9-74.9-72107.500112
327P29.8Very low30.5Very low108 Ų108151.7 Ų151.770%0.70179%0.788SS**PPolyproline II helixtrans-75.7136.7170.231.9-33.2000111.7
328S26.6Very low31.1Very low125 Ų125147.9 Ų147.987%0.87479%0.785SS**PPolyproline II helixtrans-80.9149.3175-1690000112.1
329V34.2Very low31.2Very low109 Ų109147.7 Ų147.766%0.66179%0.786SS**  trans-96.2175.9180-158.60000110.7
330E29.1Very low32.1Very low159 Ų159148.4 Ų148.474%0.74379%0.791SS**  trans61.7102172.8-69.4100-128.700119
331N34.9Very low32.9Very low150 Ų150143.8 Ų143.880%0.80279%0.79SS**  -157.9150.6103.9-120.2-72.3000117.6
332C30.3Very low33.3Very low92 Ų92138.5 Ų138.562%0.62279%0.785SS**  trans50.864.1157.5-76.90000119.9
333A34.6Very low34.3Very low97 Ų97139.8 Ų139.880%0.80279%0.79SS**  trans-69.2127.8148.100000110.4
334K42.3Very low35Very low172 Ų172139.3 Ų139.375%0.74879%0.788SS**  trans-142.5149166.4-66-173.4-178.6175.60109.7
335N35Very low35.7Very low166 Ų166138.7 Ų138.789%0.88879%0.789SS**  trans74.440.9176.9-49.3-34.7000117.7
336L36.1Very low36.6Very low139 Ų139139.3 Ų139.373%0.72879%0.785SS**  trans-81.7133.5153.4-73176.5000110.2
337F35.8Very low37.9Very low176 Ų176138.6 Ų138.677%0.77279%0.792SS**  trans65.3110.8170.8-43-64.6000119.1
338P35.5Very low39.4Very low130 Ų130141.5 Ų141.584%0.84479%0.789SS**  trans-71.1128.3133.2-1.120000108.8
339S33.8Very low40.6Very low114 Ų114142 Ų14280%0.79778%0.777SS**  trans-70.5157.7176-169.40000112.6
340S44.4Very low42.2Very low121 Ų121141.4 Ų141.485%0.84678%0.776SS**SBendtrans5.8131.2160.9-165.60000119.6
341G46.6Very low43.9Very low77 Ų77137.5 Ų137.579%0.79477%0.766SS**  trans121.820.114100000120.6
342A34.4Very low45.2Very low95 Ų95134.4 Ų134.479%0.78575%0.749SS**  trans-143.1138172.500000114.9R344A342-R344 PolarHBondContact O-N 2.77Å
343K51.9Low47.4Very low219 Ų219134 Ų13495%0.95274%0.74SS**  trans-74.480.5174.4-67176-178.1172.30110.8S345K343-S345 PolarHBondContact O-N 3.28Å
344R40.1Very low49.3Very low237 Ų237137.4 Ų137.489%0.89474%0.736SS**  trans-78.4100.2-178.2-160.8171.2-171.5128.3-0.7111.4A342A342-R344 PolarHBondContact O-N 2.77Å
345S39.2Very low50.9Low100 Ų100133.9 Ų133.970%0.69973%0.725SS**  trans-69.3136.1172.356.40000111K343 T347K343-S345 PolarHBondContact O-N 3.28Å; S345-T347 PolarHBondContact O-N 3.09Å
346F47.2Very low53Low179 Ų179128.4 Ų128.479%0.78570%0.703SS**  trans-52.4136.5165.4-64.4-81.9000110.9R348F346-R348 PolarHBondContact O-N 3.43Å
347T54.8Low55.1Low146 Ų146128.2 Ų128.290%0.89670%0.696SS**  trans-6793.5177.238.80000110.4S345S345-T347 PolarHBondContact O-N 3.09Å
348R59.7Low57.4Low168 Ų168123.2 Ų123.263%0.63468%0.683SS**  trans-77.5141.7176-58.9-175.5-170.4-86.9-0.4110.1F346 L352F346-R348 PolarHBondContact O-N 3.43Å; R348-L352 HydrophobicContact CB-CB 4.12Å; R348-L352 HydrophobicContact CB-CD1 4.37Å
349H53.4Low59.5Low136 Ų136121.2 Ų121.263%0.6366%0.664SS**  trans-50.6145.1176.2-129-112.2000111.7S351 L352 I353H349-S351 PolarHBondContact O-N 3.44Å; H349-L352 WeakPolarHBondContact O-CB 3.42Å; H349-L352 PolarHBondContact O-N 3.25Å; H349-I353 PolarHBondContact O-N 2.96Å
350P67.6Low61.7Low97 Ų97121.3 Ų121.363%0.6365%0.652SS**Hα-helixtrans-58.8-26.6-175.520.1-32.2000113.9I353 K354P350-I353 PolarHBondContact O-N 3.07Å; P350-K354 WeakPolarHBondContact O-CB 3.14Å; P350-K354 PolarHBondContact O-N 2.99Å
351S63.6Low63.3Low76 Ų76118.8 Ų118.853%0.53163%0.629SS.*Hα-helixtrans-61.1-43.8170.448.20000113H349 K354 L355H349-S351 PolarHBondContact O-N 3.44Å; S351-K354 WeakPolarHBondContact O-CB 3.5Å; S351-K354 PolarHBondContact O-N 3.06Å; S351-L355 PolarHBondContact O-N 2.89Å
352L63.2Low64.7Low85 Ų85119.8 Ų119.845%0.44562%0.616SS.*Hα-helixtrans-68.9-33.6176-78168.2000112.3R348 H349 K354 L355 A356R348-L352 HydrophobicContact CB-CB 4.12Å; R348-L352 HydrophobicContact CB-CD1 4.37Å; H349-L352 WeakPolarHBondContact O-CB 3.42Å; H349-L352 PolarHBondContact O-N 3.25Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-L355 HydrophobicContact CD2-CD2 4.44Å; L352-L355 PolarHBondContact O-N 3.26Å; L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.41Å; L352-A356 PolarHBondContact O-N 2.98Å
353I75.1Confident66.3Low85 Ų85123.5 Ų123.544%0.43661%0.61SS.*Hα-helixtrans-65.4-40.7172.8-60.6175.9000110.2H349 P350 A356 K357H349-I353 PolarHBondContact O-N 2.96Å; P350-I353 PolarHBondContact O-N 3.07Å; I353-A356 PolarHBondContact O-N 2.76Å; I353-K357 WeakPolarHBondContact O-CG 3.46Å; I353-K357 PolarHBondContact O-N 2.92Å
354K74.8Confident67.2Low168 Ų168120.3 Ų120.373%0.7359%0.592SS**Hα-helixtrans-65.7-42.5176.7-151.6171-173.3178.20111.6P350 S351 L352 S358P350-K354 WeakPolarHBondContact O-CB 3.14Å; P350-K354 PolarHBondContact O-N 2.99Å; S351-K354 WeakPolarHBondContact O-CB 3.5Å; S351-K354 PolarHBondContact O-N 3.06Å; L352-K354 VanDerWaalsContact C-N 3.34Å; K354-S358 WeakPolarHBondContact O-CB 3.48Å; K354-S358 PolarHBondContact O-N 2.8Å
355L77.6Confident68.3Low97 Ų97116.8 Ų116.851%0.50858%0.583SS.*Hα-helixtrans-63.1-46.6173.9-178.962.2000112.2S351 L352 K357 S358 I359S351-L355 PolarHBondContact O-N 2.89Å; L352-L355 HydrophobicContact CD2-CD2 4.44Å; L352-L355 PolarHBondContact O-N 3.26Å; L355-K357 PolarHBondContact O-N 3.33Å; L355-S358 WeakPolarHBondContact O-CB 3.23Å; L355-S358 PolarHBondContact O-N 2.94Å; L355-I359 HydrophobicContact CD1-CD1 4.04Å; L355-I359 HydrophobicContact CD1-CG1 4.38Å; L355-I359 HydrophobicContact CG-CD1 3.95Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.27Å
356A78.9Confident69.3Low51 Ų51117.7 Ų117.742%0.42158%0.579SS.*Hα-helixtrans-61.2-44.7178.500000111.9L352 I353 I359 Q360L352-A356 VanDerWaalsContact O-CB 3.31Å; L352-A356 WeakPolarHBondContact O-CB 3.41Å; L352-A356 PolarHBondContact O-N 2.98Å; I353-A356 PolarHBondContact O-N 2.76Å; A356-I359 PolarHBondContact O-N 3.17Å; A356-Q360 PolarHBondContact O-N 3.14Å
357K79.2Confident69.5Low135 Ų135115.6 Ų115.659%0.58758%0.576SS**Hα-helixtrans-60.8-46.1173.2-73.8-177.4177.3-174.20111.7I353 L355 I359 Q360 D361I353-K357 WeakPolarHBondContact O-CG 3.46Å; I353-K357 PolarHBondContact O-N 2.92Å; L355-K357 PolarHBondContact O-N 3.33Å; K357-I359 VanDerWaalsContact C-N 3.32Å; K357-I359 PolarHBondContact O-N 2.94Å; K357-Q360 CarbonylContact O-C 3.59Å; K357-Q360 WeakPolarHBondContact O-CA 3.46Å; K357-Q360 WeakPolarHBondContact O-CB 3.35Å; K357-Q360 PolarHBondContact O-N 3.45Å; K357-D361 PolarHBondContact O-N 2.98Å
358S84.4Confident69.1Low72 Ų72112.9 Ų112.950%0.50356%0.563SS.*Hα-helixtrans-55.4-45176.6-167.70000112.4K354 L355 Q360 D361 D362K354-S358 WeakPolarHBondContact O-CB 3.48Å; K354-S358 PolarHBondContact O-N 2.8Å; L355-S358 WeakPolarHBondContact O-CB 3.23Å; L355-S358 PolarHBondContact O-N 2.94Å; S358-Q360 VanDerWaalsContact C-N 3.35Å; S358-D361 PolarHBondContact O-N 3Å; S358-D362 WeakPolarHBondContact O-CB 3.37Å; S358-D362 PolarHBondContact O-N 3.47Å
359I80.2Confident68.1Low87 Ų87109.4 Ų109.445%0.44657%0.57SS.*Hα-helixtrans-67-37.4177.2-66.6165.2000110.8L355 A356 K357 R363L355-I359 HydrophobicContact CD1-CD1 4.04Å; L355-I359 HydrophobicContact CD1-CG1 4.38Å; L355-I359 HydrophobicContact CG-CD1 3.95Å; L355-I359 WeakPolarHBondContact O-CG1 3.47Å; L355-I359 PolarHBondContact O-N 3.27Å; A356-I359 PolarHBondContact O-N 3.17Å; K357-I359 VanDerWaalsContact C-N 3.32Å; K357-I359 PolarHBondContact O-N 2.94Å; I359-R363 WeakPolarHBondContact O-CB 3.4Å; I359-R363 VanDerWaalsContact O-CG 3.22Å; I359-R363 WeakPolarHBondContact O-CG 3.5Å; I359-R363 PolarHBondContact O-N 3.27Å; I359-R363 VanDerWaalsContact O-N 3.12Å
360Q79.8Confident68.1Low117 Ų117109.3 Ų109.355%0.54758%0.582SS.*Hα-helixtrans-64.3-41.4175.4-138.583.86.600111.9A356 K357 S358 R364A356-Q360 PolarHBondContact O-N 3.14Å; K357-Q360 CarbonylContact O-C 3.59Å; K357-Q360 WeakPolarHBondContact O-CA 3.46Å; K357-Q360 WeakPolarHBondContact O-CB 3.35Å; K357-Q360 PolarHBondContact O-N 3.45Å; S358-Q360 VanDerWaalsContact C-N 3.35Å; Q360-R364 WeakPolarHBondContact O-CG 3.26Å; Q360-R364 PolarHBondContact O-N 2.97Å
361D76.8Confident66.5Low68 Ų68110.4 Ų110.436%0.36459%0.591SS.*Hα-helixtrans-76.6-36.5-177.2-70.9-36.4000112.8K357 S358 R363 R364 K365K357-D361 PolarHBondContact O-N 2.98Å; S358-D361 PolarHBondContact O-N 3Å; D361-R363 VanDerWaalsContact C-N 3.34Å; D361-R364 WeakPolarHBondContact O-CB 3.49Å; D361-R364 PolarHBondContact O-N 3.36Å; D361-R364 VanDerWaalsContact O-N 3.11Å; D361-R364 IonicContact OD1-CZ 3.92Å; D361-R364 VanDerWaalsContact OD1-CZ 3.25Å; D361-R364 IonicContact OD1-NE 2.65Å; D361-R364 PolarHBondContact OD1-NE 2.89Å; D361-R364 IonicContact OD1-NH2 2.63Å; D361-R364 PolarHBondContact OD1-NH2 2.95Å; D361-K365 PolarHBondContact O-N 3Å
362D76.3Confident65Low97 Ų97111.8 Ų111.852%0.51960%0.601SS.*Hα-helixtrans-63.9-42.5171.6-158.353.2000110.8S358 R364 K365 I366S358-D362 WeakPolarHBondContact O-CB 3.37Å; S358-D362 PolarHBondContact O-N 3.47Å; D362-R364 PolarHBondContact O-N 3.12Å; D362-K365 PolarHBondContact O-N 3.22Å; D362-I366 PolarHBondContact O-N 2.93Å; D362-I366 VanDerWaalsContact O-N 3.15Å
363R69.7Low64Low174 Ų174113.8 Ų113.866%0.65762%0.619SS**Hα-helixtrans-66.5-18.8171.7-69.1-178.478.8177.36.7114.1I359 D361 N367I359-R363 WeakPolarHBondContact O-CB 3.4Å; I359-R363 VanDerWaalsContact O-CG 3.22Å; I359-R363 WeakPolarHBondContact O-CG 3.5Å; I359-R363 PolarHBondContact O-N 3.27Å; I359-R363 VanDerWaalsContact O-N 3.12Å; D361-R363 VanDerWaalsContact C-N 3.34Å; R363-N367 PolarHBondContact O-ND2 3.27Å
364R69.1Low61.8Low152 Ų152116.8 Ų116.857%0.57464%0.642SS**Hα-helixtrans-80.1-47168.8-77.9-172.2-85.2-138.84111.3Q360 D361 D362 I366 N367 S368Q360-R364 WeakPolarHBondContact O-CG 3.26Å; Q360-R364 PolarHBondContact O-N 2.97Å; D361-R364 WeakPolarHBondContact O-CB 3.49Å; D361-R364 PolarHBondContact O-N 3.36Å; D361-R364 VanDerWaalsContact O-N 3.11Å; D361-R364 IonicContact OD1-CZ 3.92Å; D361-R364 VanDerWaalsContact OD1-CZ 3.25Å; D361-R364 IonicContact OD1-NE 2.65Å; D361-R364 PolarHBondContact OD1-NE 2.89Å; D361-R364 IonicContact OD1-NH2 2.63Å; D361-R364 PolarHBondContact OD1-NH2 2.95Å; D362-R364 PolarHBondContact O-N 3.12Å; R364-I366 VanDerWaalsContact C-N 3.32Å; R364-I366 PolarHBondContact O-N 3.07Å; R364-N367 PolarHBondContact O-N 3Å; R364-S368 PolarHBondContact O-N 3.48Å; R364-S368 PolarHBondContact O-OG 3.01Å
365K64.6Low60Low163 Ų163117.8 Ų117.871%0.70965%0.646SS**Hα-helixtrans-54.3-43.8178.4-76.6-178.2174.8-1770113.2D361 D362 N367D361-K365 PolarHBondContact O-N 3Å; D362-K365 PolarHBondContact O-N 3.22Å; K365-N367 PolarHBondContact O-N 3.38Å
366I59.3Low57.5Low119 Ų119119.1 Ų119.161%0.6166%0.662SS**THydrogen-bonded Turntrans-71.6-3.8179.768.3-176.6000114.4D362 R364D362-I366 PolarHBondContact O-N 2.93Å; D362-I366 VanDerWaalsContact O-N 3.15Å; R364-I366 VanDerWaalsContact C-N 3.32Å; R364-I366 PolarHBondContact O-N 3.07Å
367N51Low55.3Low135 Ų135123.1 Ų123.172%0.72268%0.681SS**THydrogen-bonded Turntrans-122.812.3-177.4-73.3-67.8000113.6R363 R364 K365R363-N367 PolarHBondContact O-ND2 3.27Å; R364-N367 PolarHBondContact O-N 3Å; K365-N367 PolarHBondContact O-N 3.38Å
368S47.3Very low53.4Low89 Ų89124.9 Ų124.962%0.62270%0.696SS**  trans-132.789.6-177.263.40000113.3R364R364-S368 PolarHBondContact O-N 3.48Å; R364-S368 PolarHBondContact O-OG 3.01Å
369A39.5Very low50.9Low94 Ų94124.6 Ų124.678%0.77770%0.704SS**  trans-114148.3153.300000108
370P52.4Low48.6Very low135 Ų135128.2 Ų128.288%0.87772%0.724SS**  trans-85.1150.7-158.532.5-36.4000114.7
371S33.5Very low47.4Very low119 Ų119128.5 Ų128.583%0.83274%0.736SS**  trans-129.7138.9155.4-170.90000108.4
372S31.7Very low45.7Very low105 Ų105130 Ų13073%0.73476%0.759SS**  trans-85.1158-171.640.10000113.1
373P42.9Very low44.2Very low127 Ų127132.9 Ų132.983%0.82577%0.774SS**  trans-83.5142.7-171.832.7-35.5000113.5
374T29.5Very low42.8Very low149 Ų149130.2 Ų130.291%0.91478%0.777SS**  trans-118.8154.7161.544.20000110.6
375K36.1Very low41.6Very low189 Ų189130.3 Ų130.382%0.82279%0.789SS**  trans-130.5107.2-158173.9-164.6171.4-173.70112.1
376C26.4Very low41.1Very low125 Ų125128 Ų12885%0.84579%0.787SS**  trans-137.5115.9157.7-68.90000106
377V31.3Very low41.3Very low134 Ų134125.6 Ų125.681%0.81278%0.78SS**  76.9132.867.5177.90000112.1
378L40.5Very low42.5Very low173 Ų173123.1 Ų123.191%0.90677%0.773SS**  trans-81.3145.7-165.5178.868.5000113
379G31.7Very low43.9Very low65 Ų65126.6 Ų126.667%0.6778%0.777SS**  trans173.193.2170.300000116.6
380D31.9Very low45.8Very low164 Ų164128 Ų12888%0.87777%0.769SS**  trans56.1160.4151.5-71.6-15.7000124
381P54.9Low47.1Very low122 Ų122124 Ų12479%0.79275%0.747SS**  trans-119114.7-163.835.7-18.4000114.5
382A40.9Very low49.5Very low101 Ų101122.8 Ų122.884%0.83573%0.729SS**  trans-13896.217300000113.4V384A382-V384 PolarHBondContact O-N 3.48Å
383N43.7Very low51.9Low156 Ų156122.1 Ų122.183%0.83472%0.717SS**  trans-32.6105.7166.1176.712.5000116.4
384V39.9Very low53.9Low119 Ų119119 Ų11972%0.72170%0.701SS**  trans-143.996.3145.6-174.60000109.5A382 V386A382-V384 PolarHBondContact O-N 3.48Å; V384-V386 HydrophobicContact CG1-CG2 4.15Å; V384-V386 PolarHBondContact O-N 2.89Å; V384-V386 VanDerWaalsContact O-N 3.15Å
385D45.7Very low56.4Low154 Ų154114.2 Ų114.282%0.82468%0.677SS**  trans-73.1101.3168.9-123-24.6000109.2P387D385-P387 WeakPolarHBondContact O-CD 3.45Å
386V52.4Low58.7Low113 Ų113110.2 Ų110.269%0.68566%0.663SS**  trans-75.7108.4174.91790000108.1V384 S388V384-V386 HydrophobicContact CG1-CG2 4.15Å; V384-V386 PolarHBondContact O-N 2.89Å; V384-V386 VanDerWaalsContact O-N 3.15Å; V386-S388 PolarHBondContact O-N 2.94Å
387P64.1Low61.3Low70 Ų70107.9 Ų107.946%0.45565%0.648SS.*  trans-66.1129.3-171.626.6-34000110.1D385 A391 Q392D385-P387 WeakPolarHBondContact O-CD 3.45Å; P387-A391 HydrophobicContact CB-CB 4.44Å; P387-Q392 HydrophobicContact CB-CG 4.43Å; P387-Q392 HydrophobicContact CG-CG 4.01Å
388S77.2Confident63.9Low83 Ų83108.2 Ų108.258%0.5864%0.638SS**  trans-44.7141.9178.8172.90000111.9V386 M390 A391 Q392V386-S388 PolarHBondContact O-N 2.94Å; S388-M390 PolarHBondContact O-N 2.95Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.31Å; S388-A391 PolarHBondContact O-N 2.94Å; S388-Q392 PolarHBondContact O-N 3.46Å; S388-Q392 VanDerWaalsContact O-N 3.12Å
389K76.1Confident66Low162 Ų162104.8 Ų104.870%0.70462%0.62SS**Hα-helixtrans-52.9-27.9-177.1-155.1167.7-171.8171.80112.9L393K389-L393 WeakPolarHBondContact O-CG 3.49Å; K389-L393 PolarHBondContact O-N 3.48Å; K389-L393 VanDerWaalsContact O-N 3.11Å
390M78.4Confident68.3Low122 Ų122107.8 Ų107.860%0.60161%0.614SS**Hα-helixtrans-76.7-32.9174.3-62.7-58.497.300113.7S388 L393 A394S388-M390 PolarHBondContact O-N 2.95Å; M390-L393 HydrophobicContact CE-CD1 3.7Å; M390-L393 PolarHBondContact O-N 3.34Å; M390-A394 VanDerWaalsContact O-CB 3.27Å; M390-A394 WeakPolarHBondContact O-CB 3.37Å; M390-A394 PolarHBondContact O-N 3.37Å
391A79.6Confident70.5Confident52 Ų52105.6 Ų105.643%0.4360%0.602SS.*Hα-helixtrans-67.3-39.617200000111.1P387 S388 A394 A395P387-A391 HydrophobicContact CB-CB 4.44Å; S388-A391 WeakPolarHBondContact O-CA 3.43Å; S388-A391 WeakPolarHBondContact O-CB 3.31Å; S388-A391 PolarHBondContact O-N 2.94Å; A391-A394 PolarHBondContact O-N 3.23Å; A391-A395 WeakPolarHBondContact O-CB 3.41Å; A391-A395 PolarHBondContact O-N 3.26Å
392Q84.2Confident71.5Confident93 Ų93104 Ų10444%0.43559%0.587SS.*Hα-helixtrans-61.8-48172.5-68-177.2-21.300112P387 S388 A394 A395 I396P387-Q392 HydrophobicContact CB-CG 4.43Å; P387-Q392 HydrophobicContact CG-CG 4.01Å; S388-Q392 PolarHBondContact O-N 3.46Å; S388-Q392 VanDerWaalsContact O-N 3.12Å; Q392-A394 PolarHBondContact O-N 3.37Å; Q392-A395 PolarHBondContact O-N 3.06Å; Q392-I396 VanDerWaalsContact O-CG1 3.32Å; Q392-I396 WeakPolarHBondContact O-CG1 3.37Å; Q392-I396 PolarHBondContact O-N 3.06Å
393L83.4Confident73.1Confident92 Ų92105 Ų10548%0.48257%0.574SS.*Hα-helixtrans-63.1-39.8175.4-70.7-175.8000112.4K389 M390 A395 I396 C397K389-L393 WeakPolarHBondContact O-CG 3.49Å; K389-L393 PolarHBondContact O-N 3.48Å; K389-L393 VanDerWaalsContact O-N 3.11Å; M390-L393 HydrophobicContact CE-CD1 3.7Å; M390-L393 PolarHBondContact O-N 3.34Å; L393-A395 PolarHBondContact O-N 3.12Å; L393-I396 PolarHBondContact O-N 2.9Å; L393-C397 WeakPolarHBondContact O-CB 3.35Å; L393-C397 PolarHBondContact O-N 2.97Å; L393-C397 PolarHBondContact O-SG 3.22Å; L393-C397 VanDerWaalsContact O-SG 3.38Å
394A85.1Confident74.2Confident60 Ų60101.7 Ų101.750%0.49655%0.554SS.*Hα-helixtrans-61.9-41.2175.900000112.1M390 A391 Q392 C397 K398M390-A394 VanDerWaalsContact O-CB 3.27Å; M390-A394 WeakPolarHBondContact O-CB 3.37Å; M390-A394 PolarHBondContact O-N 3.37Å; A391-A394 PolarHBondContact O-N 3.23Å; Q392-A394 PolarHBondContact O-N 3.37Å; A394-C397 PolarHBondContact O-N 2.84Å; A394-K398 WeakPolarHBondContact O-CB 3.46Å; A394-K398 PolarHBondContact O-N 3.04Å
395A80.1Confident75.4Confident50 Ų5097.4 Ų97.441%0.41353%0.529SS..Hα-helixtrans-62.7-45.7174.300000111.9A391 Q392 L393 K398 I399A391-A395 WeakPolarHBondContact O-CB 3.41Å; A391-A395 PolarHBondContact O-N 3.26Å; Q392-A395 PolarHBondContact O-N 3.06Å; L393-A395 PolarHBondContact O-N 3.12Å; A395-K398 PolarHBondContact O-N 3.27Å; A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.43Å; A395-I399 PolarHBondContact O-N 3.15Å
396I85.1Confident75.8Confident104 Ų10492.6 Ų92.653%0.53351%0.507SS..Hα-helixtrans-62.5-44.5177.7-67.3163.6000111.2Q392 L393 K398 I399 K400Q392-I396 VanDerWaalsContact O-CG1 3.32Å; Q392-I396 WeakPolarHBondContact O-CG1 3.37Å; Q392-I396 PolarHBondContact O-N 3.06Å; L393-I396 PolarHBondContact O-N 2.9Å; I396-K398 PolarHBondContact O-N 2.82Å; I396-I399 PolarHBondContact O-N 3.18Å; I396-K400 PolarHBondContact O-N 3.01Å; I396-K400 VanDerWaalsContact O-N 3.08Å
397C80.8Confident76.3Confident76 Ų7690.3 Ų90.351%0.51449%0.493SS..Hα-helixtrans-62.3-40.6175.3-73.30000112.3L393 A394 K400 L401L393-C397 WeakPolarHBondContact O-CB 3.35Å; L393-C397 PolarHBondContact O-N 2.97Å; L393-C397 PolarHBondContact O-SG 3.22Å; L393-C397 VanDerWaalsContact O-SG 3.38Å; A394-C397 PolarHBondContact O-N 2.84Å; C397-K400 PolarHBondContact O-N 3.11Å; C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 2.96Å; C397-L401 VanDerWaalsContact O-N 3.12Å
398K86.4Confident75.5Confident141 Ų14195.4 Ų95.461%0.61350%0.504SS*.Hα-helixtrans-62.5-50.1176.3-174-178.3177.5-174.20111.6A394 A395 I396 K400 L401 D402A394-K398 WeakPolarHBondContact O-CB 3.46Å; A394-K398 PolarHBondContact O-N 3.04Å; A395-K398 PolarHBondContact O-N 3.27Å; I396-K398 PolarHBondContact O-N 2.82Å; K398-K400 VanDerWaalsContact C-N 3.25Å; K398-K400 PolarHBondContact O-N 3.31Å; K398-L401 PolarHBondContact O-N 3.19Å; K398-D402 PolarHBondContact O-N 3.33Å
399I84.4Confident74.6Confident102 Ų10297.5 Ų97.552%0.52350%0.503SS..Hα-helixtrans-56.6-41.5178.3-68.8163.4000111A395 I396 D402 Q403A395-I399 VanDerWaalsContact O-CG1 3.31Å; A395-I399 WeakPolarHBondContact O-CG1 3.43Å; A395-I399 PolarHBondContact O-N 3.15Å; I396-I399 PolarHBondContact O-N 3.18Å; I399-D402 PolarHBondContact O-N 3.44Å; I399-Q403 WeakPolarHBondContact O-CG 3.35Å; I399-Q403 PolarHBondContact O-N 3.47Å
400K79.9Confident73.7Confident127 Ų12794.8 Ų94.855%0.55250%0.495SS*.Hα-helixtrans-66.3-42179.6-167.3169-176.9175.50112.9I396 C397 K398 Q403 E404I396-K400 PolarHBondContact O-N 3.01Å; I396-K400 VanDerWaalsContact O-N 3.08Å; C397-K400 PolarHBondContact O-N 3.11Å; K398-K400 VanDerWaalsContact C-N 3.25Å; K398-K400 PolarHBondContact O-N 3.31Å; K400-Q403 PolarHBondContact O-N 3.31Å; K400-E404 WeakPolarHBondContact O-CG 3.43Å; K400-E404 PolarHBondContact O-N 3.2Å
401L78.6Confident72.4Confident118 Ų11897.2 Ų97.262%0.61850%0.498SS*.Hα-helixtrans-66.2-39.2175.4-70.6169.4000112.4C397 K398 E404 S405C397-L401 WeakPolarHBondContact O-CG 3.22Å; C397-L401 PolarHBondContact O-N 2.96Å; C397-L401 VanDerWaalsContact O-N 3.12Å; K398-L401 PolarHBondContact O-N 3.19Å; L401-E404 PolarHBondContact O-N 2.65Å; L401-S405 PolarHBondContact O-N 3.43Å
402D75.3Confident71.1Confident89 Ų89101 Ų10148%0.47651%0.51SS..Hα-helixtrans-65.6-41.1176.1-84.1-40.1000111.7K398 I399 S405 S406K398-D402 PolarHBondContact O-N 3.33Å; I399-D402 PolarHBondContact O-N 3.44Å; D402-S405 PolarHBondContact O-N 3.11Å; D402-S405 PolarHBondContact O-OG 3.43Å; D402-S406 PolarHBondContact O-N 3.36Å
403Q74.1Confident69.4Low123 Ų123103.9 Ų103.958%0.57552%0.521SS*.Hα-helixtrans-58.2-50.6171.8-77.5-176.7-4.300111.9I399 K400 S405 S406 V407I399-Q403 WeakPolarHBondContact O-CG 3.35Å; I399-Q403 PolarHBondContact O-N 3.47Å; K400-Q403 PolarHBondContact O-N 3.31Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 3.35Å; Q403-S406 WeakPolarHBondContact O-CB 3.45Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q403-S406 VanDerWaalsContact O-N 3.11Å; Q403-S406 PolarHBondContact O-OG 3.04Å; Q403-V407 PolarHBondContact O-N 3.39Å
404E67.5Low67.8Low86 Ų86103.3 Ų103.340%0.40253%0.525SS..Hα-helixtrans-60.3-39.9178.2-72.5174.2-161.500111.7K400 L401 S406 V407 W408K400-E404 WeakPolarHBondContact O-CG 3.43Å; K400-E404 PolarHBondContact O-N 3.2Å; L401-E404 PolarHBondContact O-N 2.65Å; E404-S406 VanDerWaalsContact C-N 3.33Å; E404-S406 PolarHBondContact O-N 3.44Å; E404-V407 PolarHBondContact O-N 3.12Å; E404-W408 PolarHBondContact O-N 3.42Å
405S66.3Low66Low29 Ų29107.6 Ų107.620%0.20353%0.534CS..Hα-helixtrans-63.2-36.4174.995.40000112.9L401 D402 Q403 W408 K409L401-S405 PolarHBondContact O-N 3.43Å; D402-S405 PolarHBondContact O-N 3.11Å; D402-S405 PolarHBondContact O-OG 3.43Å; Q403-S405 VanDerWaalsContact C-N 3.31Å; Q403-S405 PolarHBondContact O-N 3.35Å; S405-W408 PolarHBondContact O-N 3.33Å; S405-K409 WeakPolarHBondContact O-CD 3.46Å; S405-K409 VanDerWaalsContact O-CG 3.24Å; S405-K409 WeakPolarHBondContact O-CG 3.41Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 PolarHBondContact OG-NZ 3.28Å
406S52.3Low64.2Low52 Ų52114.3 Ų114.336%0.36455%0.55SS.*Hα-helixtrans-67.1-38.6179.579.60000111.9D402 Q403 E404 W408 K409 N410D402-S406 PolarHBondContact O-N 3.36Å; Q403-S406 WeakPolarHBondContact O-CB 3.45Å; Q403-S406 PolarHBondContact O-N 3.37Å; Q403-S406 VanDerWaalsContact O-N 3.11Å; Q403-S406 PolarHBondContact O-OG 3.04Å; E404-S406 VanDerWaalsContact C-N 3.33Å; E404-S406 PolarHBondContact O-N 3.44Å; S406-W408 PolarHBondContact O-N 3.39Å; S406-K409 PolarHBondContact O-N 3.49Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 3.04Å
407V63.1Low62.4Low65 Ų65112.8 Ų112.839%0.39455%0.553SS.*Hα-helixtrans-64.1-41.1176.9172.30000110.9Q403 E404 R411Q403-V407 PolarHBondContact O-N 3.39Å; E404-V407 PolarHBondContact O-N 3.12Å; V407-R411 WeakPolarHBondContact O-CG 3.34Å; V407-R411 PolarHBondContact O-N 3.03Å
408W47.7Very low60.6Low178 Ų178118.8 Ų118.867%0.67457%0.565SS**Hα-helixtrans-69.2-43.1176.5-62.2-15.1000112.4E404 S405 S406 N410 R411 L412E404-W408 PolarHBondContact O-N 3.42Å; S405-W408 PolarHBondContact O-N 3.33Å; S406-W408 PolarHBondContact O-N 3.39Å; W408-N410 VanDerWaalsContact C-N 3.28Å; W408-N410 PolarHBondContact O-N 3.34Å; W408-R411 PolarHBondContact O-N 3.3Å; W408-L412 PolarHBondContact O-N 3.38Å
409K57.6Low58.4Low127 Ų127120.9 Ų120.955%0.55257%0.574SS**Hα-helixtrans-57.7-39.5175.1-71.8160.4-174.7160.70112S405 S406 K413S405-K409 WeakPolarHBondContact O-CD 3.46Å; S405-K409 VanDerWaalsContact O-CG 3.24Å; S405-K409 WeakPolarHBondContact O-CG 3.41Å; S405-K409 PolarHBondContact O-N 3.24Å; S405-K409 PolarHBondContact OG-NZ 3.28Å; S406-K409 PolarHBondContact O-N 3.49Å; K409-K413 PolarHBondContact O-N 3.2Å
410N57.4Low56.7Low104 Ų104122.9 Ų122.956%0.55659%0.585SS**Hα-helixtrans-75.9-37.8178.6-72.5-14.8000113.3S406 W408 L412 K413 S414S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 3.04Å; W408-N410 VanDerWaalsContact C-N 3.28Å; W408-N410 PolarHBondContact O-N 3.34Å; N410-L412 VanDerWaalsContact C-N 3.31Å; N410-L412 PolarHBondContact O-N 3.41Å; N410-K413 PolarHBondContact O-N 3.42Å; N410-S414 PolarHBondContact O-N 3.22Å
411R52.7Low55Low174 Ų174124.2 Ų124.266%0.65760%0.597SS**Hα-helixtrans-61-39.7172.7-73.8176.5-166-106.23.2112.1V407 W408 S414 H415V407-R411 WeakPolarHBondContact O-CG 3.34Å; V407-R411 PolarHBondContact O-N 3.03Å; W408-R411 PolarHBondContact O-N 3.3Å; R411-S414 PolarHBondContact O-N 2.95Å; R411-H415 PolarHBondContact O-N 3.34Å; R411-H415 VanDerWaalsContact O-N 3.12Å
412L51.4Low52.8Low131 Ų131123.3 Ų123.369%0.68660%0.6SS**Hα-helixtrans-66.5-40.5-179.5-161.468.2000112.4W408 N410 H415 Y416W408-L412 PolarHBondContact O-N 3.38Å; N410-L412 VanDerWaalsContact C-N 3.31Å; N410-L412 PolarHBondContact O-N 3.41Å; L412-H415 PolarHBondContact O-N 3.12Å; L412-Y416 PolarHBondContact O-N 3.39Å
413K47.8Very low50.9Low153 Ų153128.6 Ų128.667%0.66562%0.618SS**Hα-helixtrans-61.4-44.1174.2-72.6179.1177.1-176.10112.4K409 N410 H415 Y416 A417K409-K413 PolarHBondContact O-N 3.2Å; N410-K413 PolarHBondContact O-N 3.42Å; K413-H415 PolarHBondContact O-N 3.38Å; K413-Y416 PolarHBondContact O-N 3.21Å; K413-A417 PolarHBondContact O-N 3.47Å
414S50.6Low49Very low80 Ų80130.3 Ų130.356%0.55963%0.632SS**Hα-helixtrans-59.7-44.5176.3-179.10000112.3N410 R411 Y416 A417 R418N410-S414 PolarHBondContact O-N 3.22Å; R411-S414 PolarHBondContact O-N 2.95Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 2.89Å; S414-A417 PolarHBondContact O-N 3.02Å; S414-R418 PolarHBondContact O-N 3.11Å; S414-R418 VanDerWaalsContact O-N 3.11Å
415H47.3Very low47.2Very low150 Ų150133.1 Ų133.169%0.69465%0.654SS**Hα-helixtrans-65.6-29.3-180-112.7-77.4000114.3R411 L412 K413R411-H415 PolarHBondContact O-N 3.34Å; R411-H415 VanDerWaalsContact O-N 3.12Å; L412-H415 PolarHBondContact O-N 3.12Å; K413-H415 PolarHBondContact O-N 3.38Å
416Y41.9Very low45.3Very low191 Ų191140.1 Ų140.175%0.74969%0.686SS**Hα-helixtrans-76.1-44.5176.6-136.5-95.4000111.5L412 K413 S414 R418 K419L412-Y416 PolarHBondContact O-N 3.39Å; K413-Y416 PolarHBondContact O-N 3.21Å; S414-Y416 VanDerWaalsContact C-N 3.31Å; S414-Y416 PolarHBondContact O-N 2.89Å; Y416-R418 PolarHBondContact O-N 3.39Å; Y416-K419 PolarHBondContact O-N 3Å
417A46.7Very low45.2Very low72 Ų72142.6 Ų142.660%0.59570%0.7SS**Hα-helixtrans-62.1-40.1178.300000112.8K413 S414 K419K413-A417 PolarHBondContact O-N 3.47Å; S414-A417 PolarHBondContact O-N 3.02Å; A417-K419 PolarHBondContact O-N 3Å
418R43.3Very low43.4Very low202 Ų202147.3 Ų147.376%0.76272%0.716SS**THydrogen-bonded Turntrans-68.7-14.5-178.1-161.864.8-179.9-167.73.2114S414 Y416S414-R418 PolarHBondContact O-N 3.11Å; S414-R418 VanDerWaalsContact O-N 3.11Å; Y416-R418 PolarHBondContact O-N 3.39Å
419K41.5Very low42.4Very low185 Ų185146 Ų14680%0.80472%0.717SS**THydrogen-bonded Turntrans-91.2-7.6-174.9-154.3175.7-179.6-176.10114.6Y416 A417Y416-K419 PolarHBondContact O-N 3Å; A417-K419 PolarHBondContact O-N 3Å
420I47.1Very low40.9Very low144 Ų144146 Ų14674%0.73873%0.728SS**SBendtrans-94.6-22.9-175.7-64.2-63.4000113.5
421L44Very low40.3Very low155 Ų155146.6 Ų146.681%0.81274%0.738SS**SBendtrans-102.611.6-165.9-165.451.5000115.8
422C34.2Very low39Very low100 Ų100143 Ų14368%0.67675%0.745SS**  trans-132.254.1-174.8-61.90000114.3
423K34.3Very low37.7Very low200 Ų200140.7 Ų140.787%0.8775%0.745SS**  trans-143.878.3157.3-81.6-161.7175.1-171.60110.5
424N34.3Very low36.8Very low159 Ų159139.3 Ų139.385%0.8575%0.749SS**  trans-159.6140.9161.9-103.9-20.6000110.4
425V28.9Very low35.6Very low144 Ų144142.1 Ų142.187%0.87375%0.753SS**  trans68.6133.9170-175.30000117.3
426M28.1Very low34.6Very low176 Ų176145 Ų14587%0.86776%0.758SS**  trans-112164.5168.5-103.9-104.2121.700109
427P48.2Very low34Very low104 Ų104142.8 Ų142.868%0.67576%0.76SS**  trans-95.7169.9-149.237.8-38.8000115.5
428K26.7Very low34Very low164 Ų164144.8 Ų144.871%0.71377%0.766SS**  trans-150.6133.4151.7-120.4-175.7179.7-73.70113.3
429E26.5Very low33.3Very low151 Ų151139.4 Ų139.471%0.70677%0.765SS**  trans52.8127.8148.5-79.6130.6-141.400125.1
430T26Very low32.9Very low128 Ų128135 Ų13579%0.78576%0.763SS**  trans-66.5-176.5158.743.90000114.3
431P45.1Very low32.1Very low116 Ų116134.4 Ų134.475%0.75376%0.757SS**  cis-136.5-166.72.534.9-12.5000115.9
432A24.1Very low31.5Very low97 Ų97136.5 Ų136.580%0.80275%0.754SS**  trans79.3147.1150.800000119.5
433A26Very low31.3Very low84 Ų84137.6 Ų137.669%0.69475%0.753SS**  cis-167.9179.9-18.800000111.2
434T28.5Very low31Very low123 Ų123137.8 Ų137.876%0.75575%0.748SS**  trans8499.6149.2-50.80000120.6
435E24.6Very low31Very low139 Ų139138.3 Ų138.365%0.6575%0.745SS**  trans57.2143.7131.1-62.9-161.3140.800126.4
436R26.5Very low31.2Very low210 Ų210136 Ų13679%0.79274%0.741SS**  trans76.499.9137.9-84-173.1-84.8171.9-7.7122.7
437D30.1Very low31.4Very low146 Ų146132.5 Ų132.578%0.78174%0.74SS**  -48.8161.6126.9-91.1-53.9000112.4
438P45.8Very low30.4Very low113 Ų113131.3 Ų131.373%0.73475%0.748SS**  cis-155.8165.144.144-22.9000121.6
439A28.6Very low30.8Very low89 Ų89128.5 Ų128.574%0.73676%0.755SS**  trans67.7147.5134.400000125.7
440A32.5Very low31.1Very low92 Ų92126.4 Ų126.476%0.7675%0.752SS**  trans76.1151.1151.200000118.3
441E30.6Very low31.1Very low132 Ų132126.5 Ų126.562%0.61775%0.752SS**  cis-163.5154.18.7-176.664.8176.700112.8
442R31.7Very low30.4Very low199 Ų199128.5 Ų128.575%0.75175%0.75SS**  trans76.7157.3153.9-92.3155.2-139.4-1706.5121.3
443L29.3Very low30.9Very low124 Ų124131 Ų13165%0.64975%0.748SS**  cis-155.414425.8-157.2110.8000116.1
444R28Very low31.6Very low203 Ų203132.7 Ų132.777%0.76675%0.752SS**  trans65.7116.6156.1-77.8-176.9-176.2148.23.4125
445Q35.3Very low31.9Very low170 Ų170132.8 Ų132.879%0.79475%0.752SS**  38.1144.5115.3-68166.7-5000121.6
446A33.6Very low32.2Very low95 Ų95134 Ų13479%0.78576%0.758SS**  cis-171.5-164.8-1200000107.5
447A31.9Very low32.2Very low103 Ų103129.3 Ų129.385%0.85176%0.756SS**  cis-162.6176.81.900000110.2
448G28.1Very low32Very low80 Ų80127.6 Ų127.683%0.82576%0.756SS**  trans132.3144.3165.400000116.2
449A33.4Very low32.2Very low104 Ų104127.6 Ų127.686%0.8676%0.755SS**  trans-160.1-178.2-173.100000112.4
450V33.3Very low32.1Very low108 Ų108131.1 Ų131.166%0.65576%0.761SS**  cis-159.81526.577.10000113F452V450-F452 HydrophobicContact CG1-CD2 4.43Å; V450-F452 HydrophobicContact CG2-CD2 3.87Å; V450-F452 HydrophobicContact CG2-CE2 3.91Å
451T26.6Very low32.2Very low129 Ų129133.8 Ų133.879%0.79176%0.761SS**  trans-159.9156.6141.544.80000106.7
452F28.9Very low32.6Very low159 Ų159133.3 Ų133.370%0.69777%0.769SS**  cis8994.714.1-68.1-76.9000117.1V450V450-F452 HydrophobicContact CG1-CD2 4.43Å; V450-F452 HydrophobicContact CG2-CD2 3.87Å; V450-F452 HydrophobicContact CG2-CE2 3.91Å
453I36.1Very low32.5Very low148 Ų148129.4 Ų129.476%0.75977%0.767SS**  cis72.1131.749.2-58.8177.7000110.5
454P41.2Very low32.4Very low120 Ų120130.3 Ų130.378%0.77977%0.772SS**  cis-141-171.243.834.9-11.3000119.1
455T33.1Very low32.5Very low125 Ų125128.2 Ų128.277%0.76778%0.775SS**  trans-79.3177.2170.149.30000113.8
456Q31.8Very low32.7Very low166 Ų166125.8 Ų125.878%0.77677%0.774SS**  trans163.4147.9130.9-81.5-82.740.100113.6
457C26.2Very low32.4Very low110 Ų110130.7 Ų130.774%0.74378%0.781SS**  trans40.2145.4150.7-62.80000126.4
458S26.2Very low32.4Very low111 Ų111133.7 Ų133.778%0.77678%0.778SS**  trans-83.3-172.6153.8-38.50000110.7
459P48.9Very low32.6Very low112 Ų112141.3 Ų141.373%0.72778%0.781SS**  cis-140.2-146.70.935.4-9.5000113.9
460L28.3Very low32.3Very low163 Ų163139.6 Ų139.685%0.85377%0.773SS**  trans95.7152.3162.8-103.771.5000120.9
461I33.8Very low32.1Very low149 Ų149142.8 Ų142.876%0.76479%0.787SS**  trans-129.8132.2-170.3-63.4160.4000108.3
462P39.1Very low32.6Very low121 Ų121140 Ų14079%0.78678%0.784SS**  -141.2163.7126.816.36.1000112.2
463V29.1Very low32.9Very low117 Ų117139 Ų13971%0.70979%0.793SS**  cis159.2166.7-15.1137.70000105.7
464L27.3Very low32.9Very low144 Ų144142.2 Ų142.275%0.75480%0.797SS**  trans71.699.2168.5-80161.8000120
465L30.4Very low32.6Very low158 Ų158141.3 Ų141.383%0.82780%0.8SS**  43.1156.2115.1-85.384.6000123.2
466P38.3Very low32.6Very low120 Ų120140.7 Ų140.778%0.77980%0.796SS**  trans-94.8153.4-163.537.7-36.3000115.3
467Q28.8Very low32.5Very low197 Ų197143.3 Ų143.392%0.92180%0.8SS**  trans-112.5155.7169.1-166.7159.7-33.100111.6
468Q32.3Very low32.8Very low167 Ų167145.5 Ų145.578%0.7880%0.804SS**  trans-116.6168.4-160.1-93-77.4-2.800114.3
469R30.3Very low33.1Very low240 Ų240147 Ų14791%0.90680%0.798SS**  trans80.2139175.4-53.2-179.7175.6-172.8-1.9116.2
470G28.1Very low32.4Very low67 Ų67147.6 Ų147.669%0.69180%0.802SS**  cis176.4-165.5-4.300000116.3
471N30.1Very low32.4Very low175 Ų175144 Ų14494%0.93679%0.79SS**  trans74.4136.4-178.3-64.4-1000117.2
472G35.3Very low32.5Very low71 Ų71142 Ų14273%0.73279%0.79SS**  trans-97.1-146.4-176.600000113.8
473P36.5Very low32Very low137 Ų137145 Ų14589%0.8980%0.798SS**  cis-118.5-177.646.940.2-33.7000116.1
474Y35.9Very low32.2Very low217 Ų217150.9 Ų150.985%0.85181%0.808SS**  trans-85.6153.2-171-114.7-106.1000114.6V476Y474-V476 HydrophobicContact CD1-CG2 3.94Å; Y474-V476 HydrophobicContact CE1-CG2 4.41Å
475A34.4Very low32.1Very low100 Ų100150 Ų15083%0.82681%0.813SS**  trans-140.2126.7152.800000108.9
476V33Very low32.1Very low112 Ų112150 Ų15068%0.67981%0.814SS**  trans-89.8130.5-172.5178.70000110.8Y474 L478Y474-V476 HydrophobicContact CD1-CG2 3.94Å; Y474-V476 HydrophobicContact CE1-CG2 4.41Å; V476-L478 HydrophobicContact CG1-CG 4.24Å
477Y29.4Very low31.7Very low221 Ų221148 Ų14887%0.86781%0.808SS**  trans-100.1110.8170.1-140.5-88.6000109.5
478L32.7Very low31.9Very low157 Ų157146.7 Ų146.782%0.82281%0.806SS**  trans-95130.3174.4-84.4167.1000110.4V476V476-L478 HydrophobicContact CG1-CG 4.24Å
479H33.5Very low31.9Very low141 Ų141144.6 Ų144.665%0.65381%0.81SS**  trans-131.1106.8179.8-176.2-72.5000110.6S481H479-S481 PolarHBondContact CE1-OG 3.34Å; H479-S481 VanDerWaalsContact CE1-OG 3.31Å; H479-S481 PolarHBondContact ND1-OG 3.19Å; H479-S481 VanDerWaalsContact ND1-OG 3.09Å
480P33.3Very low32Very low125 Ų125143.7 Ų143.781%0.81281%0.807SS**  trans-83.6119.7169.431.6-29.6000110.2
481S28.9Very low32.4Very low87 Ų87146.5 Ų146.561%0.60881%0.812SS**  trans-94.5135.6-178.4-61.10000112.6H479H479-S481 PolarHBondContact CE1-OG 3.34Å; H479-S481 VanDerWaalsContact CE1-OG 3.31Å; H479-S481 PolarHBondContact ND1-OG 3.19Å; H479-S481 VanDerWaalsContact ND1-OG 3.09Å
482S35.9Very low32.6Very low109 Ų109146.6 Ų146.676%0.76281%0.807SS**  trans41.1121.2145.562.80000120.7
483L29.2Very low32.9Very low182 Ų182148.9 Ų148.995%0.95381%0.809SS**  trans-123.6147.2142.2-94.2171.2000110.1
484R32Very low33.1Very low242 Ų242149.3 Ų149.391%0.91381%0.81SS**  trans-98.5153.9175.3-48.5-177.5-162175.45.8110.2
485S26.5Very low33.1Very low125 Ų125144.3 Ų144.387%0.87481%0.807SS**  trans-144.3163.6139.163.40000108.7
486N30.4Very low33.1Very low159 Ų159147.4 Ų147.485%0.8581%0.808SS**  trans-147.7146.9-169.3-159.84.1000111.4
487A29.4Very low33.2Very low78 Ų78146.4 Ų146.465%0.64581%0.811SS**  trans52.9123.3168.700000119.6
488L32.1Very low33.3Very low168 Ų168142 Ų14288%0.8881%0.808SS**  -179.2158.6104.2-100.1162.2000115.1
489S32.6Very low33.3Very low123 Ų123144.3 Ų144.386%0.8681%0.805SS**  trans76164.5164.7840000119.1
490R33.3Very low33.3Very low222 Ų222143.2 Ų143.284%0.83881%0.814SS**  trans-155.7131.3-155168.8-169.6-179.9-172.93.9109.8
491P36.1Very low33.2Very low125 Ų125143.8 Ų143.881%0.81281%0.807SS**PPolyproline II helixtrans-68137172.4-18.632000112.2
492Q34.9Very low33.5Very low177 Ų177146 Ų14683%0.82782%0.817SS**PPolyproline II helixtrans-89.6151.1167.8-75.1-170.2-9.600111.5
493P41.5Very low33.3Very low119 Ų119149.5 Ų149.577%0.77382%0.819SS**PPolyproline II helixtrans-83.9128.3161.833.5-29.5000110.3
494T40.3Very low33.6Very low146 Ų146147.9 Ų147.990%0.89681%0.807SS**PPolyproline II helixtrans-77.7130.1172.2380000111.2
495S34.5Very low33.5Very low113 Ų113143.5 Ų143.579%0.7980%0.801SS**  trans-109.4140.6170.257.10000110.1
496L36.4Very low33.9Very low165 Ų165144.9 Ų144.986%0.86479%0.792SS**  trans-140.695.8166.1-113171.2000108.5
497A34.1Very low33.9Very low90 Ų90143.7 Ų143.774%0.74479%0.79SS**  trans-10296.2175.100000109
498V31Very low34Very low130 Ų130142.9 Ų142.979%0.78879%0.789SS**  trans-77.8121.6169.8179.90000108.2
499R33Very low33.9Very low204 Ų204144.1 Ų144.177%0.7779%0.791SS**  trans-85.7111.6-177.8-64.4171.263.8107.3-1.5109.9M501R499-M501 PolarHBondContact O-N 2.97Å
500S33.9Very low33.7Very low119 Ų119143.5 Ų143.583%0.83279%0.786SS**  trans-71.397.9165.2-59.50000109.7
501M32.1Very low34Very low137 Ų137138 Ų13868%0.67578%0.779SS**  trans-79.1113.1168.3-72.3-81.4-68.100109.1R499 F503R499-M501 PolarHBondContact O-N 2.97Å; M501-F503 HydrophobicContact CE-CE2 4.11Å
502T33.8Very low33.6Very low133 Ų133137.2 Ų137.282%0.81678%0.777SS**  trans-98.1114.1162.749.20000108.5
503F32.8Very low33.3Very low183 Ų183133.1 Ų133.180%0.80377%0.773SS**  trans-75.5131.7167.1-104.7-99.7000109.1M501M501-F503 HydrophobicContact CE-CE2 4.11Å
504E35.4Very low33.3Very low148 Ų148132.8 Ų132.869%0.69277%0.771SS**  trans-80.7138150.6-73.6-137.3142.100108K506E504-K506 VanDerWaalsContact OE2-CE 3.3Å; E504-K506 WeakPolarHBondContact OE2-CE 3.46Å; E504-K506 IonicContact OE2-NZ 2.69Å; E504-K506 PolarHBondContact OE2-NZ 3.43Å
505D28.5Very low32.7Very low149 Ų149131 Ų13180%0.79776%0.764SS**  trans-121.4144159.5-169.38.9000108.8
506K35.8Very low32.4Very low155 Ų155129.8 Ų129.867%0.67476%0.762SS**  trans-145.385.1-173-84-178.5169.3143.80111.3E504E504-K506 VanDerWaalsContact OE2-CE 3.3Å; E504-K506 WeakPolarHBondContact OE2-CE 3.46Å; E504-K506 IonicContact OE2-NZ 2.69Å; E504-K506 PolarHBondContact OE2-NZ 3.43Å
507T30.5Very low32Very low134 Ų134126.3 Ų126.382%0.82276%0.756SS**  trans-174.4135.1148.4-76.10000106.8
508G30.6Very low31.9Very low61 Ų61131.4 Ų131.463%0.62976%0.762SS**  cis167.2-176.3-4.200000110.3
509Q30.5Very low31.8Very low194 Ų194130.4 Ų130.491%0.90776%0.76SS**  trans67.9136.4168.8-52.3-177.116.700118.2
510S28Very low31.9Very low109 Ų109131.9 Ų131.976%0.76277%0.766SS**  trans-99.1153158.91760000108.1
511P39.5Very low32.4Very low106 Ų106131.4 Ų131.469%0.68876%0.76SS**  -143.8171.3114.238.7-26.4000115.4
512S27.9Very low32.3Very low109 Ų109129.4 Ų129.476%0.76277%0.765SS**  trans62.1120.1155.856.20000120.4
513A29.7Very low32Very low92 Ų92128.4 Ų128.476%0.7676%0.764SS**  trans-79.1165.7142.500000109.6
514P41.4Very low31.9Very low111 Ų111129.9 Ų129.972%0.72176%0.764SS**  -148.1170.692.741.2-26.2000115.6
515S27.9Very low31.4Very low108 Ų108130.5 Ų130.576%0.75577%0.767SS**  trans35.9152.3142.6640000123.3
516A28.2Very low31.4Very low89 Ų89128.3 Ų128.374%0.73676%0.763SS**  cis177.8166.7-17.900000108.4
517A28.3Very low30.9Very low91 Ų91128.8 Ų128.875%0.75277%0.773SS**  trans64.5162.7167.300000115.9
518K31.4Very low30.7Very low198 Ų198125.4 Ų125.486%0.86177%0.765SS**  cis-144.9173.8-14.9-140.794.6172.3-172.40104.6
519S29.1Very low30.4Very low108 Ų108128.1 Ų128.176%0.75577%0.774SS**  cis-159.7157.210.148.50000111.1
520R34.8Very low31.2Very low236 Ų236124 Ų12489%0.89176%0.764SS**  trans-145.9139.4159.2174-179.2171.6-162.8-2.6109.1
521P44.5Very low31.2Very low109 Ų109126.1 Ų126.171%0.70877%0.766SS**  trans-120.2-177.9158.538.1-26.7000112.2
522A30.1Very low30.7Very low94 Ų94126.8 Ų126.878%0.77777%0.768SS**  -171.5134.3-51.600000110.4
523S26.2Very low30.7Very low112 Ų112128.4 Ų128.478%0.78377%0.768SS**  trans-164.7109.2158.533.50000107.8
524R30.8Very low30.7Very low215 Ų215133 Ų13381%0.81177%0.771SS**  74.9104.892.3-72-155.8153.7147.63.9112.6
525E26Very low30Very low160 Ų160138 Ų13875%0.74878%0.775SS**  74.9138.384.8-73.4166.8155.200112
526S28.3Very low29.9Very low104 Ų104139.8 Ų139.873%0.72777%0.772SS**  cis-170.8170.9-21.164.50000106.6
527D25.6Very low29.8Very low164 Ų164146.3 Ų146.388%0.87778%0.777SS**  cis-156.9-164.5-5.1-148.3-84.7000108.8
528G26Very low29.9Very low63 Ų63146.4 Ų146.465%0.64977%0.772SS**  trans132.5110.515300000119.2
529S24.8Very low29.5Very low119 Ų119142.8 Ų142.883%0.83277%0.771SS**  trans-135170.3155.5-79.70000107
530P46.5Very low29.4Very low107 Ų107142 Ų14270%0.69577%0.765SS**  cis-151.7-179.823.446.2-26.2000118.9
531L27.7Very low29Very low153 Ų153137.1 Ų137.180%0.80176%0.762SS**  trans62.1162.1139.8-105.682.3000125.4
532T29.3Very low28.2Very low120 Ų120136.6 Ų136.674%0.73677%0.766SS**  trans89138.8164.574.80000117.9
533L29.1Very low28.1Very low143 Ų143140.7 Ų140.775%0.74977%0.77SS**  cis-160.1148.8-6.4-121.6169.9000113.3
534K28.9Very low28.2Very low190 Ų190140.9 Ų140.983%0.82677%0.771SS**  trans63.3139173.4-73.9161.7178.5170.30114.1
535R26.2Very low28.2Very low214 Ų214135.9 Ų135.981%0.80877%0.769SS**  cis-161167.718.5-123.2172.6147.5167.7-9.1107.1
536Q26.4Very low29.5Very low146 Ų146133.8 Ų133.868%0.68277%0.769SS**  cis-157.8-176.5-2.1-157.7169.6-115.800110.1
537R25.8Very low29.5Very low226 Ų226133.9 Ų133.985%0.85377%0.77SS**  trans-45.8156.9164.8-73.9178.8177.4167.2-2.4116.1
538S29.8Very low29.7Very low93 Ų93136 Ų13665%0.6577%0.771SS**  cis-176146.8-9.248.10000114.1
539C23.2Very low29.7Very low122 Ų122137.5 Ų137.582%0.82478%0.778SS**  trans66.2146.8156.3-62.80000119.8
540S27.7Very low29.8Very low92 Ų92143.8 Ų143.864%0.64378%0.783SS**  cis-174.6137.3-16.348.70000112.9
541T26.1Very low29.3Very low134 Ų134149 Ų14982%0.82279%0.789SS**  trans57.3152.1145.751.90000121.2
542A28.8Very low29.8Very low97 Ų97147.6 Ų147.680%0.80279%0.789SS**  cis-165.3-166.8-13.400000109.9
543E27Very low30Very low181 Ų181148.1 Ų148.185%0.84679%0.788SS**  trans-93.5166.8-164.2-50.1175.3106.900116.9
544S27.4Very low31Very low116 Ų116147.2 Ų147.281%0.81179%0.79SS**  trans80.3148.9141.678.30000122.1
545S32Very low31Very low110 Ų110145 Ų14577%0.76979%0.788SS**  trans-102.1175.5164.7-50.20000108.9
546P53.3Low31.1Very low116 Ų116145 Ų14575%0.75379%0.793SS**  cis-146.6-168.611.341.8-20.2000117.1
547S28.8Very low31.3Very low106 Ų106146.9 Ų146.974%0.74180%0.8SS**  trans125.6146.3132.879.40000120.5
548K28.8Very low31.3Very low207 Ų207141.9 Ų141.990%0.979%0.794SS**  trans30.8130.6157.9-65.8175.2176.5172.30119.4
549A26.6Very low31.1Very low95 Ų95146.3 Ų146.379%0.78580%0.801SS**  180159.360.900000115.8
550R27.1Very low31.3Very low251 Ų251146.2 Ų146.295%0.94780%0.797SS**  trans63.8146.6152-117.9178.3-174.8-178.30.2122.5
551R34.8Very low31.3Very low216 Ų216147 Ų14782%0.81580%0.802SS**  trans-92.5170.8165.9-44.4177.8-177.1164.9-1.7110.3
552P39Very low31.3Very low124 Ų124148.2 Ų148.281%0.80580%0.8SS**  -149164.578.441.4-24.3000117.2
553D33.2Very low31.1Very low132 Ų132152.4 Ų152.471%0.70680%0.803SS**  trans-77.7164.9158.2-45.1-91.9000110.7
554P49.7Very low31.1Very low123 Ų123147.5 Ų147.580%0.79980%0.801SS**  -151.1172.291.839.3-21.4000117.1
555N29.2Very low31.1Very low145 Ų145145.6 Ų145.678%0.77580%0.799SS**  trans-69.1156.9169.6-95-100.5000113.3
556F28.8Very low30.9Very low212 Ų212146.1 Ų146.193%0.9380%0.801SS**  trans-149.2162.9137.1-109.2-75.3000112.2
557K29.6Very low29.7Very low187 Ų187149.7 Ų149.781%0.81381%0.808SS**  trans-146.5159.3-166.8-176.2-179.3-176.9-179.20108.8
558V26.5Very low29.7Very low120 Ų120151.5 Ų151.573%0.72781%0.809SS**  trans137.9110.9152.1165.40000115.4
559K26.1Very low29.8Very low186 Ų186148 Ų14881%0.80981%0.805SS**  173.9123.2126.2-97.7143.4-176.4179.80109.2
560T27.4Very low29.8Very low120 Ų120151.8 Ų151.874%0.73680%0.803SS**  52.9134.480.828.80000114.6
561C27.3Very low29.8Very low110 Ų110146.6 Ų146.674%0.74379%0.794SS**  cis-142.5177.521.1-98.60000115.3
562M26.2Very low29.3Very low159 Ų159143.6 Ų143.678%0.78379%0.789SS**  trans-15.5169.7155-36.7-55.1-153.200119.9
563E24.6Very low28.8Very low185 Ų185143.9 Ų143.986%0.86478%0.783SS**  cis-161.3177.211.5-147.1164.2129.200112.5
564G27.1Very low28.4Very low78 Ų78143.9 Ų143.980%0.80478%0.783SS**  trans93149.1160.800000116.1
565G27Very low27.2Very low75 Ų75143.6 Ų143.677%0.77378%0.779SS**  trans179.7-173.5177.800000116.5
566C28Very low27.1Very low121 Ų121145.4 Ų145.482%0.81878%0.78SS**  trans65.4118.6174.7-158.70000118.1
567H28.3Very low27.1Very low191 Ų191142.5 Ų142.588%0.88477%0.773SS**  trans-157141.1132.6-106.7-72.9000109.7
568D29.2Very low27.1Very low144 Ų144140.4 Ų140.477%0.7777%0.77SS**  trans-120.3120.9175.4172.927.2000109.2
569V30.5Very low27Very low134 Ų134138.6 Ų138.681%0.81276%0.763SS**  trans-144.8142.8168.9-173.60000109.3
570K26.7Very low27Very low174 Ų174138.1 Ų138.176%0.75776%0.761SS**  trans-116.4145.2-168.5177.1-177.9-177175.40110
571L27Very low27Very low143 Ų143142 Ų14275%0.74976%0.764SS**  trans160.3145.1132.6-83.2161.2000115.1
572H24.6Very low27Very low152 Ų152142.2 Ų142.270%0.70476%0.757SS**  trans62.6100148.5-83.770.1000124.2
573L27.2Very low27Very low131 Ų131143.1 Ų143.169%0.68676%0.76SS**  52.8122.9114.8-82.5165.3000123.2
574N24.8Very low27.2Very low131 Ų131139.9 Ų139.970%0.70175%0.753SS**  102.7121.2128.9-95.1-11.1000123.3
575T25.2Very low27.3Very low117 Ų117144.1 Ų144.172%0.71876%0.756SS**  trans74121.3140.250.90000123.9
576K27.5Very low27.7Very low183 Ų183146.3 Ų146.380%0.79675%0.754SS**  trans82.7116.9139-78.1-175.6175.1-179.30122.1
577L27.9Very low28.2Very low152 Ų152146.5 Ų146.580%0.79675%0.754SS**  trans71.3159.4141.2-56.8171.3000116.5
578L29.8Very low28.3Very low142 Ų142142.5 Ų142.574%0.74375%0.754SS**  cis-149.2173.111.3-167.956.3000112.6
579S24.6Very low28.3Very low82 Ų82139.2 Ų139.257%0.57375%0.754SS**  trans93.8145.7145.482.40000118
580F26.3Very low28.3Very low176 Ų176143.8 Ų143.877%0.77276%0.758SS**  cis-136.1137.57.4-89.6-74.3000110.8
581Y27.7Very low28.4Very low202 Ų202143.1 Ų143.179%0.79276%0.762SS**  60.1147.7102.3-91.6-114.8000118.3
582N26.5Very low28.8Very low114 Ų114143.3 Ų143.361%0.6176%0.762SS**  cis-175.9-177-31-134.2-32.7000111.7
583Q26.8Very low29.3Very low179 Ų179141.9 Ų141.984%0.83677%0.767SS**  trans78.5125175.1-54.2-179.1-200115.9
584T27.5Very low29.7Very low116 Ų116143 Ų14371%0.71277%0.772SS**  cis90.4109.6-1.8-27.10000119
585L30.3Very low29.7Very low167 Ų167141.7 Ų141.787%0.87477%0.773SS**  178.3174.6118-96.5164.6000114.6
586V35.7Very low29.9Very low122 Ų122143.5 Ų143.574%0.73977%0.773SS**  trans-119.8-179.9-167.2-1470000111.4
587P38Very low29.9Very low125 Ų125141.9 Ų141.981%0.81277%0.768SS**  -137.3163.3114.339.1-29.8000114.9
588A31.3Very low29.8Very low106 Ų106139.2 Ų139.288%0.87676%0.762SS**  trans-112.7164.8178.500000112.3
589G27.6Very low29.8Very low75 Ų75139.4 Ų139.477%0.77376%0.763SS**  trans-154.4149.1176.400000112.6
590Y31.9Very low30Very low230 Ų230142.5 Ų142.590%0.90277%0.772SS**  trans-98.9149.4-174.5-74.6-112.9000112.3
591L27.7Very low29.8Very low160 Ų160138.9 Ų138.984%0.83877%0.768SS**  170.3154.5119.3-93.8161.3000113.7
592I35.9Very low29.6Very low147 Ų147138.2 Ų138.275%0.75477%0.765SS**  trans-137.5133.9161.4-50.6175.1000106.1I594I592-I594 HydrophobicContact CG2-CG1 4.46Å
593P34.3Very low29.6Very low123 Ų123141.6 Ų141.680%0.79978%0.775SS**  -139.5170.7126.234.3-19.9000113.8
594I36.1Very low29.6Very low155 Ų155139.3 Ų139.380%0.79576%0.764SS**  trans-116.6143.9-172.6-58.4160.6000110.3I592I592-I594 HydrophobicContact CG2-CG1 4.46Å
595S26Very low29.7Very low102 Ų102141.4 Ų141.471%0.71377%0.77SS**  trans-139.6126.3155.745.30000107.9
596Q28.8Very low29.7Very low156 Ų156140.6 Ų140.673%0.72976%0.762SS**  61.3135.183-64.8-178.7-5.100112.8
597Q27Very low29.2Very low149 Ų149141.3 Ų141.370%0.69676%0.762SS**  cis-158.91503.4-113.2159.9-10.700108
598S26.7Very low28.7Very low95 Ų95140.2 Ų140.266%0.66476%0.757SS**  59.2146.590.3103.40000115
599L29.3Very low28.5Very low147 Ų147138.1 Ų138.177%0.7775%0.746SS**  cis-169.5-171.65.2-131.8172.2000110
600I28.3Very low28.7Very low147 Ų147143.6 Ų143.675%0.75475%0.751SS**  trans73.6141.8158.6-67.4148000115.8
601S21.8Very low28.6Very low99 Ų99140.3 Ų140.369%0.69274%0.744SS**  cis-175.1172.8-13.6-92.20000108.7
602Y24.4Very low28.8Very low188 Ų188136.6 Ų136.674%0.73773%0.732SS**  cis-177-173.8-30.2-165.3-109000107.9E604Y602-E604 WeakPolarHBondContact CE1-OE2 3.43Å
603K27Very low28.5Very low185 Ų185135 Ų13580%0.80472%0.724SS**  trans77.2124.6177.8-62.1-164.3171.2-168.10116.9
604E26.7Very low28.1Very low132 Ų132137.2 Ų137.262%0.61772%0.721SS**  cis95.6130.112.9-163.9-174.8-16600116.6Y602Y602-E604 WeakPolarHBondContact CE1-OE2 3.43Å
605L28.4Very low27.6Very low159 Ų159134.7 Ų134.783%0.83272%0.718SS**  trans-148.9-159.8150.1-149.964.4000110.2
606Q30.2Very low27.6Very low151 Ų151134.7 Ų134.771%0.70672%0.718SS**  trans-133.6169.6-151.1-77.6178.2-18.100111.5
607N26.2Very low27.5Very low137 Ų137137.1 Ų137.173%0.73372%0.722SS**  cis-160.3-177.23.7-122.57.1000107.3
608S27.9Very low27.5Very low102 Ų102135.7 Ų135.771%0.71372%0.717SS**  cis-170.6169.6-1241.90000106.5
609G26.3Very low27.5Very low62 Ų62140.7 Ų140.764%0.63972%0.723SS**  cis172.5-178.6-6.400000110.7
610E31Very low27.3Very low190 Ų190141.9 Ų141.989%0.88873%0.725SS**  trans66.6136.2150.2-72167.3-159.100120.6
611E30.7Very low27.3Very low160 Ų160141 Ų14175%0.74873%0.726SS**  cis-165.4172.8-13.4-144.9-149.1-148.200112.9
612S31.7Very low28.3Very low83 Ų83141.5 Ų141.558%0.5873%0.727SS**  trans71141.8152.9-93.80000119.7
613N29.4Very low28.4Very low112 Ų112138.5 Ų138.560%0.59973%0.729SS**  cis-166.4149.2-1.8-136.5-44.7000112.3
614K26.7Very low28.4Very low170 Ų170134 Ų13474%0.73973%0.727SS**  trans56.6129.7159.4-66.1141.1-172.8168.30119.4
615S25.1Very low28.6Very low102 Ų102133.4 Ų133.471%0.71373%0.732SS**  cis80.8133.44078.90000115.4
616S25.9Very low28.6Very low103 Ų103135.9 Ų135.972%0.7273%0.731SS**  cis-176.8-168.6-5.247.60000112.1
617Y27.5Very low28.4Very low206 Ų206138.1 Ų138.181%0.80874%0.739SS**  trans89.7108.5166.2-86.4-107.3000123.2
618I26.9Very low28.4Very low119 Ų119136.7 Ų136.761%0.6174%0.739SS**  trans39.1114.4136.9-36.8180000122.3
619Y25.2Very low28.5Very low201 Ų201138.7 Ų138.779%0.78874%0.74SS**  -179.3145.4103.1-112-70.9000116.6
620Q26Very low29Very low171 Ų171143.9 Ų143.980%0.79975%0.751SS**  trans70.5145.3150.2-104.5152.9-22.700124.4
621T27.8Very low28.9Very low128 Ų128139.3 Ų139.379%0.78574%0.74SS**  trans-104.3-172.6175.154.90000109.1
622P42.6Very low28.9Very low110 Ų110137.1 Ų137.171%0.71474%0.743SS**  cis-144.5-171.38.634-8.8000118
623T28.2Very low28.8Very low125 Ų125141.7 Ų141.777%0.76776%0.76SS**  trans103.2130.1143-21.30000120.7
624A27.1Very low28.7Very low92 Ų92146.3 Ų146.376%0.7678%0.775SS**  trans65.7154.1162.400000117
625V29.7Very low28.6Very low119 Ų119143 Ų14372%0.72177%0.772SS**  cis-134.2177.213-177.70000109.5
626Y29.3Very low28.7Very low210 Ų210143.6 Ų143.682%0.82478%0.776SS**  trans93.481.3166.4-66.6-81.9000118.9
627F25.8Very low28.8Very low198 Ų198148.9 Ų148.987%0.86878%0.78SS**  trans-144.7140.9132.9-139.5-93.1000110
628C26.6Very low28.8Very low108 Ų108144.6 Ų144.673%0.7378%0.781SS**  trans61.6154.5-169.8-64.50000114.2
629I29.7Very low28.7Very low144 Ų144143.9 Ų143.974%0.73879%0.792SS**  cis-125.413019.9-69.5166.7000111.6
630I36.3Very low28.8Very low170 Ų170139.1 Ų139.187%0.87280%0.795SS**  trans-90.4109.9149.3-70179.4000107
631S29.9Very low28.8Very low94 Ų94135.6 Ų135.666%0.65780%0.795SS**  trans178.4160.2162.7-85.40000109.9
632S29.7Very low28.7Very low115 Ų115137 Ų13780%0.80480%0.797SS**  trans66.586.8168.4-55.90000117.5
633L29.7Very low27.8Very low179 Ų179139.3 Ų139.394%0.93780%0.798SS**  trans-15189.9132-142.676.6000111.8
634F27.5Very low27.8Very low209 Ų209139.2 Ų139.292%0.91780%0.797SS**  trans-134.2118.9169-135.7-87.8000110.7
635C25.2Very low28Very low100 Ų100140.4 Ų140.468%0.67680%0.795SS**  trans45.3110.5160.5-162.40000120.1
636S27.1Very low28Very low115 Ų115140.6 Ų140.680%0.80480%0.798SS**  174163.8113.7-78.60000111.9
637R27.3Very low28Very low214 Ų214135.4 Ų135.481%0.80879%0.789SS**  cis166.5131.1-40.7174.3178.4-173.3-164.22.9107
638S27.2Very low28Very low116 Ų116132.6 Ų132.681%0.81178%0.783SS**  trans64.4166.2179.9-63.60000114.8
639A25.2Very low28.1Very low103 Ų103134.4 Ų134.485%0.85179%0.785SS**  cis-140.5-178.82.900000112.6
640A27.7Very low28Very low102 Ų102139 Ų13984%0.84379%0.793SS**  trans-88.9155.2-170.400000116.2
641A24.5Very low27.5Very low97 Ų97138.5 Ų138.580%0.80279%0.791SS**  trans-148.6128.6140.400000106.1
642L26.5Very low27.3Very low158 Ų158137.8 Ų137.883%0.82780%0.798SS**  cis95.2120.637.1-170.474.5000112.1
643E23.8Very low27.2Very low157 Ų157141.8 Ų141.873%0.73480%0.801SS**  trans60.7123.8163.2-75.8-62.2147.900121
644V28.8Very low27.9Very low123 Ų123138.7 Ų138.775%0.74579%0.792SS**  156109.3110.9171.40000109.4
645T29.7Very low28Very low117 Ų117136.8 Ų136.872%0.71879%0.79SS**  trans-86.8146.2157.140.90000111
646P30.7Very low28.2Very low123 Ų123136.5 Ų136.580%0.79980%0.795SS**  trans-112.6138.3139.733.5-29.4000111.7
647T28.9Very low28.3Very low101 Ų101136.2 Ų136.262%0.6280%0.799SS**  trans-109.4171.9-177.5-51.90000110.3
648N26.2Very low28.3Very low140 Ų140130.7 Ų130.775%0.74980%0.8SS**  trans99.1116170.8-54.4-72.5000114.2
649L28.4Very low28.4Very low146 Ų146131.7 Ų131.776%0.76480%0.801SS**  cis88.2106.740.2-69.5171.6000114.2
650R27Very low28.6Very low240 Ų240132.1 Ų132.191%0.90680%0.797SS**  -179.2165.2119.6-95.7169.9-172.7-146.22.2108.7
651L27.5Very low28.5Very low160 Ų160132.1 Ų132.184%0.83879%0.791SS**  cis175.4126.4-34.4169.262.4000105.1
652G25.1Very low29.2Very low79 Ų79132.6 Ų132.681%0.81479%0.786SS**  trans-17174.9-173.300000116
653K27.6Very low29.5Very low199 Ų199132.9 Ų132.987%0.86578%0.783SS**  trans-100.2177.5157-89.9176.3177.9176.40107.6
654P45.1Very low30.3Very low114 Ų114133.5 Ų133.574%0.7479%0.786SS**  cis-106.6-158744.2-33.8000111.5
655L27.8Very low30.6Very low169 Ų169132.9 Ų132.989%0.88578%0.784SS**  cis-141.5-142.42.4-16644.5000110
656A29.5Very low30.7Very low93 Ų93132 Ų13277%0.76978%0.783SS**  trans-154.9156.7178.900000111.3
657A29.4Very low31Very low109 Ų109138.4 Ų138.490%0.90179%0.791SS**  trans-154.8149.9157.300000109.3
658A28.2Very low31.4Very low98 Ų98139.9 Ų139.981%0.8180%0.8SS**  trans-144.8149173.800000109.1
659V29.3Very low32.1Very low138 Ų138138.8 Ų138.884%0.83680%0.803SS**  trans-166.4147.8161.1123.60000112.8
660S28.1Very low32.8Very low111 Ų111136.6 Ų136.678%0.77680%0.8SS**  trans54.6129.2163.4620000122.3
661S26.6Very low33.8Very low103 Ų103129.1 Ų129.172%0.7278%0.783SS**  trans-100.4171.9156.3-164.30000109.2H663S661-H663 PolarHBondContact OG-N 3.03Å
662P39.4Very low35.4Very low107 Ų107124.5 Ų124.570%0.69576%0.763SS**  -146.6142.485.333.9-14.9000117.1
663H31.8Very low37.5Very low164 Ų164125.5 Ų125.576%0.75976%0.756SS**  trans61.1144.8159.2-55.4-46000119.4S661S661-H663 PolarHBondContact OG-N 3.03Å
664Q41.9Very low39.5Very low169 Ų169119.6 Ų119.679%0.7974%0.744SS**  cis-157.2143.3-18.6-106.2-157.456.200106.4
665P34.8Very low41Very low110 Ų110118.7 Ų118.771%0.71473%0.732SS**  -158.7177.3111.939.1-19.6000117.1
666S32.3Very low43.4Very low99 Ų99114.8 Ų114.869%0.69271%0.712SS**  trans44.2115.2151.760.70000120.6V668S666-V668 PolarHBondContact O-N 3.44Å
667R35.9Very low45.5Very low258 Ų258114.6 Ų114.697%0.97470%0.697SS**  trans-72109.6179.1-68.2-177.7177.3176.9-0.7113.9
668V36.7Very low47.8Very low132 Ų132115.5 Ų115.580%0.868%0.681SS**  trans-95.1149.7160.1179.30000109.5S666 S670S666-V668 PolarHBondContact O-N 3.44Å; V668-S670 PolarHBondContact O-N 3Å; V668-S670 VanDerWaalsContact O-N 3.12Å
669S41.9Very low50.3Low117 Ų117114 Ų11482%0.81866%0.663SS**  trans-65102.6-178174.20000113
670S42Very low52.6Low100 Ų100110 Ų11070%0.69964%0.636SS**PPolyproline II helixtrans-74.8143.2167.448.30000111.8V668V668-S670 PolarHBondContact O-N 3Å; V668-S670 VanDerWaalsContact O-N 3.12Å
671P49.8Very low55Low83 Ų83108.6 Ų108.654%0.53962%0.617SS.*PPolyproline II helixtrans-68.4147.3169.130.1-34000110.1
672S59.2Low56.8Low62 Ų62108.9 Ų108.943%0.43461%0.61SS.*PPolyproline II helixtrans-67.6144.7179.857.40000111.4A674 I675 L676S672-A674 PolarHBondContact O-N 3.29Å; S672-A674 VanDerWaalsContact O-N 3.07Å; S672-I675 PolarHBondContact O-N 3.08Å; S672-I675 WeakPolarHBondContact OG-CD1 3.24Å; S672-L676 PolarHBondContact O-N 2.68Å
673P69.6Low58.9Low100 Ų100109.2 Ų109.265%0.64961%0.606SS**Hα-helixtrans-55.6-31.9-174.8-28.935.8000114.6I675 L676 N677P673-I675 VanDerWaalsContact C-N 3.34Å; P673-I675 PolarHBondContact O-N 2.96Å; P673-L676 PolarHBondContact O-N 3.49Å; P673-N677 PolarHBondContact O-N 2.94Å
674A70.8Confident60.7Low75 Ų75104.5 Ų104.562%0.6260%0.601SS**Hα-helixtrans-61.4-38.3176.300000113.1S672 F678S672-A674 PolarHBondContact O-N 3.29Å; S672-A674 VanDerWaalsContact O-N 3.07Å; A674-F678 VanDerWaalsContact O-CB 3.23Å; A674-F678 WeakPolarHBondContact O-CB 3.49Å; A674-F678 PolarHBondContact O-N 2.95Å
675I75.6Confident61.9Low95 Ų95102 Ų10249%0.48759%0.593SS.*Hα-helixtrans-67.6-43177.1-63172.4000109.6S672 P673 F678 T679S672-I675 PolarHBondContact O-N 3.08Å; S672-I675 WeakPolarHBondContact OG-CD1 3.24Å; P673-I675 VanDerWaalsContact C-N 3.34Å; P673-I675 PolarHBondContact O-N 2.96Å; I675-F678 PolarHBondContact O-N 3.46Å; I675-T679 PolarHBondContact O-N 3.39Å; I675-T679 PolarHBondContact O-OG1 3.27Å; I675-T679 VanDerWaalsContact O-OG1 3.05Å
676L78.3Confident63.6Low88 Ų88100.1 Ų100.146%0.46158%0.576SS.*Hα-helixtrans-66.3-45.4-178.2-145.5165.4000111.2S672 P673 T679 L680S672-L676 PolarHBondContact O-N 2.68Å; P673-L676 PolarHBondContact O-N 3.49Å; L676-T679 PolarHBondContact O-N 2.77Å; L676-L680 HydrophobicContact CD2-CD1 3.58Å; L676-L680 HydrophobicContact CD2-CG 3.99Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.49Å
677N73.4Confident64.4Low88 Ų88100.9 Ų100.947%0.47158%0.581SS.*Hα-helixtrans-61.8-43.3173.3-78.1-5.1000112.3P673 T679 L680 Q681P673-N677 PolarHBondContact O-N 2.94Å; N677-T679 VanDerWaalsContact C-N 3.35Å; N677-T679 PolarHBondContact O-N 2.88Å; N677-L680 PolarHBondContact O-N 3.12Å; N677-Q681 WeakPolarHBondContact O-CB 3.41Å; N677-Q681 WeakPolarHBondContact O-CG 3.32Å; N677-Q681 PolarHBondContact O-N 3.47Å
678F78.6Confident65Low128 Ų12892.4 Ų92.456%0.56156%0.562SS**Hα-helixtrans-61.2-42.1175.8-179.4-107.5000111.6A674 I675 N682A674-F678 VanDerWaalsContact O-CB 3.23Å; A674-F678 WeakPolarHBondContact O-CB 3.49Å; A674-F678 PolarHBondContact O-N 2.95Å; I675-F678 PolarHBondContact O-N 3.46Å; F678-N682 WeakPolarHBondContact CD1-ND2 3.38Å; F678-N682 WeakPolarHBondContact CD2-ND2 3.2Å; F678-N682 WeakPolarHBondContact CE1-ND2 3.31Å; F678-N682 VanDerWaalsContact CE2-ND2 3.29Å; F678-N682 WeakPolarHBondContact CE2-ND2 3.42Å; F678-N682 WeakPolarHBondContact CZ-ND2 3.27Å; F678-N682 WeakPolarHBondContact O-CB 3.41Å; F678-N682 PolarHBondContact O-N 3.47Å; F678-N682 PolarHBondContact O-ND2 2.88Å
679T81.1Confident65.5Low68 Ų6892.1 Ų92.142%0.41756%0.563SS.*Hα-helixtrans-63.1-42.7174.5-590000112I675 L676 N677 N682 L683I675-T679 PolarHBondContact O-N 3.39Å; I675-T679 PolarHBondContact O-OG1 3.27Å; I675-T679 VanDerWaalsContact O-OG1 3.05Å; L676-T679 PolarHBondContact O-N 2.77Å; N677-T679 VanDerWaalsContact C-N 3.35Å; N677-T679 PolarHBondContact O-N 2.88Å; T679-N682 PolarHBondContact O-N 3.5Å; T679-L683 HydrophobicContact CG2-CD1 3.92Å; T679-L683 WeakPolarHBondContact O-CB 3.47Å; T679-L683 VanDerWaalsContact O-CG 3.26Å; T679-L683 WeakPolarHBondContact O-CG 3.35Å; T679-L683 PolarHBondContact O-N 3.11Å; T679-L683 VanDerWaalsContact O-N 3.09Å
680L75.8Confident65.3Low52 Ų5293.2 Ų93.227%0.27256%0.564SS.*Hα-helixtrans-69.6-35.5179.4-68.5174.1000113.3L676 N677 L683 G684 L685 I686L676-L680 HydrophobicContact CD2-CD1 3.58Å; L676-L680 HydrophobicContact CD2-CG 3.99Å; L676-L680 WeakPolarHBondContact O-CG 3.49Å; L676-L680 PolarHBondContact O-N 3.49Å; N677-L680 PolarHBondContact O-N 3.12Å; L680-L683 PolarHBondContact O-N 2.94Å; L680-G684 PolarHBondContact O-N 3.3Å; L680-L685 HydrophobicContact CD2-CB 4.26Å; L680-L685 HydrophobicContact CD2-CD1 3.94Å; L680-L685 PolarHBondContact O-N 3.02Å; L680-I686 HydrophobicContact CB-CD1 3.71Å; L680-I686 HydrophobicContact CB-CG1 3.81Å
681Q79.2Confident65Low82 Ų8292.1 Ų92.138%0.38357%0.569SS.*Hα-helixtrans-63.4-48.1172.3-75.9173.1-16.100111.4N677 L683 G684 I686N677-Q681 WeakPolarHBondContact O-CB 3.41Å; N677-Q681 WeakPolarHBondContact O-CG 3.32Å; N677-Q681 PolarHBondContact O-N 3.47Å; Q681-L683 PolarHBondContact O-N 3.27Å; Q681-G684 PolarHBondContact O-N 3.31Å; Q681-I686 HydrophobicContact CG-CD1 3.95Å; Q681-I686 HydrophobicContact CG-CG1 3.75Å
682N64.6Low64Low109 Ų10992.5 Ų92.558%0.58358%0.579SS**Hα-helixtrans-67.2-21178.7-72.2-57.1000113.7F678 T679 G684F678-N682 WeakPolarHBondContact CD1-ND2 3.38Å; F678-N682 WeakPolarHBondContact CD2-ND2 3.2Å; F678-N682 WeakPolarHBondContact CE1-ND2 3.31Å; F678-N682 VanDerWaalsContact CE2-ND2 3.29Å; F678-N682 WeakPolarHBondContact CE2-ND2 3.42Å; F678-N682 WeakPolarHBondContact CZ-ND2 3.27Å; F678-N682 WeakPolarHBondContact O-CB 3.41Å; F678-N682 PolarHBondContact O-N 3.47Å; F678-N682 PolarHBondContact O-ND2 2.88Å; T679-N682 PolarHBondContact O-N 3.5Å; N682-G684 VanDerWaalsContact C-N 3.33Å
683L83.1Confident62.4Low115 Ų11599.7 Ų99.760%0.60260%0.603SS**THydrogen-bonded Turntrans-87.10.6171.9-69.1171000113.2T679 L680 Q681 L685T679-L683 HydrophobicContact CG2-CD1 3.92Å; T679-L683 WeakPolarHBondContact O-CB 3.47Å; T679-L683 VanDerWaalsContact O-CG 3.26Å; T679-L683 WeakPolarHBondContact O-CG 3.35Å; T679-L683 PolarHBondContact O-N 3.11Å; T679-L683 VanDerWaalsContact O-N 3.09Å; L680-L683 PolarHBondContact O-N 2.94Å; Q681-L683 PolarHBondContact O-N 3.27Å; L683-L685 HydrophobicContact CB-CD1 3.93Å; L683-L685 HydrophobicContact CB-CG 3.88Å; L683-L685 HydrophobicContact CD1-CD1 4.22Å; L683-L685 PolarHBondContact O-N 3.15Å
684G69.5Low60.4Low64 Ų6498.2 Ų98.266%0.6661%0.606SS**THydrogen-bonded Turntrans67.714.8-177.200000114.4L680 Q681 N682L680-G684 PolarHBondContact O-N 3.3Å; Q681-G684 PolarHBondContact O-N 3.31Å; N682-G684 VanDerWaalsContact C-N 3.33Å
685L68.3Low58.3Low118 Ų118100.2 Ų100.262%0.61862%0.616SS**SBendtrans-87.6-12.6-174.1-62.5177.7000113.4L680 L683L680-L685 HydrophobicContact CD2-CB 4.26Å; L680-L685 HydrophobicContact CD2-CD1 3.94Å; L680-L685 PolarHBondContact O-N 3.02Å; L683-L685 HydrophobicContact CB-CD1 3.93Å; L683-L685 HydrophobicContact CB-CG 3.88Å; L683-L685 HydrophobicContact CD1-CD1 4.22Å; L683-L685 PolarHBondContact O-N 3.15Å
686I69.2Low55.9Low69 Ų69101.6 Ų101.635%0.35463%0.634SS.*SBendtrans-138.2129.6168.354.9-179.1000109.8L680 Q681L680-I686 HydrophobicContact CB-CD1 3.71Å; L680-I686 HydrophobicContact CB-CG1 3.81Å; Q681-I686 HydrophobicContact CG-CD1 3.95Å; Q681-I686 HydrophobicContact CG-CG1 3.75Å
687S50.5Low53.8Low115 Ų115106.2 Ų106.280%0.80465%0.653SS**  trans-72.3144.3174.8-56.30000111.2
688S47.3Very low52.4Low81 Ų81107 Ų10757%0.56666%0.663SS**  trans-64.1130.6171.8-66.60000110.9T690S688-T690 PolarHBondContact O-N 3.24Å; S688-T690 VanDerWaalsContact O-N 3.07Å
689P47.1Very low50.8Low126 Ų126106 Ų10682%0.81867%0.669SS**  trans-75.498.5177.729.7-33.6000110.7
690T39.5Very low48.3Very low139 Ų139111.9 Ų111.985%0.85369%0.692SS**  trans-110.3101.1172.6-34.90000108.5S688S688-T690 PolarHBondContact O-N 3.24Å; S688-T690 VanDerWaalsContact O-N 3.07Å
691G33.8Very low46Very low78 Ų78112.6 Ų112.680%0.80471%0.712SS**  trans160.9117.4177.900000115.6
692A29.7Very low43.8Very low91 Ų91114.1 Ų114.175%0.75274%0.738SS**  trans-70154.8-171.100000118.2
693F26.1Very low42Very low212 Ų212112.5 Ų112.593%0.9375%0.748SS**  -130144.8126.5-70.5-88000106
694G26Very low39.4Very low69 Ų69111.1 Ų111.171%0.71175%0.753SS**  cis100118.69.700000111.2
695S27.6Very low37.7Very low118 Ų118114.5 Ų114.583%0.82576%0.761SS**  cis-160.3173.7-3.859.50000110.9
696S25.4Very low36.8Very low123 Ų123114.5 Ų114.586%0.8677%0.768SS**  trans-150160.5154.7550000109.5
697Q33.2Very low34.6Very low186 Ų186115 Ų11587%0.86979%0.789SS**  trans-107.9168.3-147.7-94.1-171.8-81.900117.6
698P45.3Very low34.3Very low103 Ų103115.5 Ų115.567%0.66979%0.79SS**  trans-101.7-171.5-170.443-38.1000114.1
699P45.4Very low33.4Very low108 Ų108120.1 Ų120.170%0.70181%0.808SS**  -137.7170.9115.640-30.1000112.9
700E27.1Very low32.4Very low192 Ų192117.5 Ų117.590%0.89780%0.804SS**  cis-166.3-176.9-20.7-107-175.389.300110
701G28.7Very low32Very low67 Ų67118.9 Ų118.969%0.69181%0.805SS**  trans93.987.9169.100000115.5
702A32Very low31.8Very low113 Ų113123.5 Ų123.593%0.93481%0.805SS**  68.4125.380.400000114.3
703G27Very low32.7Very low76 Ų76124.1 Ų124.178%0.78480%0.802SS**  cis177.1-172.11.900000110.6
704A28.2Very low32.8Very low85 Ų85125.9 Ų125.970%0.70280%0.802SS**  cis-173.2149.9-13.600000112.4
705T35.1Very low32.9Very low135 Ų135126.2 Ų126.283%0.82881%0.806SS**  trans73169.9151.5630000120.2
706P47.5Very low33.1Very low119 Ų119128.8 Ų128.877%0.77381%0.809SS**  -144.5138.4-80.140.6-20.3000119.5
707G24.5Very low33.4Very low78 Ų78128.1 Ų128.180%0.80480%0.8SS**  trans63.6-175.4149.400000120.1
708P43.6Very low33.2Very low127 Ų127128.5 Ų128.583%0.82580%0.799SS**  cis-128.1174.6-6.742.3-27.5000116.2
709L28.6Very low32.6Very low178 Ų178131.8 Ų131.893%0.93281%0.809SS**  trans-7.5141.1160.3-53170.1000121.3
710G26.6Very low31.7Very low71 Ų71135.7 Ų135.773%0.73282%0.815SS**  trans149.2110.8141.100000119.9
711L29.8Very low32.7Very low168 Ų168131.7 Ų131.788%0.8881%0.806SS**  trans48.9114.8144.8-54.6175.2000122.3
712Q30Very low32.7Very low174 Ų174134.5 Ų134.581%0.81381%0.809SS**  26152.3128.4-56.7-7736.400121.6
713P48.2Very low32.4Very low104 Ų104134 Ų13468%0.67580%0.799SS**  cis-138.3-155.8-39.240-20.9000111.7
714R28.9Very low33.5Very low249 Ų249136 Ų13694%0.9480%0.798SS**  trans82.4144.5154.5-163.6-176.1-169.4162.32.2118.4
715G28.6Very low33.6Very low76 Ų76137.7 Ų137.778%0.78480%0.799SS**  trans121.4118.8155.200000116.5
716L31.8Very low33.3Very low172 Ų172139.5 Ų139.590%0.90180%0.799SS**  trans-98164175.2-84.2161000112.4
717V31.6Very low32.4Very low110 Ų110140.2 Ų140.267%0.66780%0.8SS**  trans101.7119.8139.5137.20000122
718F29.8Very low32.8Very low193 Ų193144.9 Ų144.985%0.84680%0.801SS**  trans67.8174161.7-60.3156.1000117.8
719I31.7Very low32.8Very low172 Ų172144.2 Ų144.288%0.88280%0.797SS**  cis-141.6175.921.6-46.7164.5000112.9
720K26.8Very low32.7Very low190 Ų190140.5 Ų140.583%0.82679%0.792SS**  trans-89.8-173.1177.7-119.1-170.3171.4179.10113.6
721P48Very low32.9Very low108 Ų108145 Ų14570%0.70180%0.799SS**  cis-111.5-145.614.319.96.2000113.7
722V29.6Very low33.5Very low126 Ų126142.9 Ų142.976%0.76479%0.794SS**  cis-155.5169.14.2-129.60000106.8
723S24.8Very low33.4Very low104 Ų104138.4 Ų138.473%0.72780%0.795SS**  cis74.9142.19.7-58.50000119.5
724P50Low32.5Very low118 Ų118142.7 Ų142.777%0.76681%0.806SS**  cis-116.2166-738.5-22.3000114.1
725V30.7Very low33.1Very low119 Ų119135.8 Ų135.872%0.72179%0.794SS**  cis80.5127.538.7175.40000112.1
726Q28.9Very low33Very low174 Ų174139.8 Ų139.881%0.81380%0.796SS**  cis-162.3-165.337.2-153.5161-109.200115.4
727V28.9Very low32.9Very low133 Ų133138 Ų13881%0.80679%0.793SS**  trans89.1146.5158.2-134.70000122.3
728Q31.2Very low32.7Very low176 Ų176139.7 Ų139.782%0.82280%0.797SS**  trans-119.8-163.4174.2-57.7-174.1-14.300109.8
729P44.9Very low32.8Very low114 Ų114138 Ų13874%0.7480%0.796SS**  cis-138.7-166.5-6.943.3-23.1000116.6
730A26.6Very low32.6Very low100 Ų100134.7 Ų134.783%0.82679%0.787SS**  trans96158.2155.100000121.8
731L30.6Very low32.8Very low166 Ų166132.9 Ų132.987%0.86979%0.786SS**  trans-103.3179.7-179.6-118.171.8000110
732P41.9Very low32.1Very low122 Ų122136.9 Ų136.979%0.79280%0.795SS**  cis-130.3179.2-24.539.6-24.2000113.2
733G26.8Very low32.1Very low81 Ų81138.9 Ų138.984%0.83580%0.796SS**  trans158.9146.3159.300000119.3
734Q30.1Very low32.9Very low193 Ų193140.2 Ų140.290%0.90280%0.803SS**  trans-97.8169.7155.4-96.6-172.7-14.800108.3
735P41.9Very low31.9Very low104 Ų104141.7 Ų141.768%0.67580%0.803SS**  cis-151.1-179.534.244.3-23.2000119.4
736L26.4Very low31.7Very low160 Ų160143.7 Ų143.784%0.83881%0.807SS**  trans46.9128.2143.7-72.4164.7000123.9
737T28.8Very low31.8Very low135 Ų135139.7 Ų139.783%0.82880%0.804SS**  trans175.5161.8142.521.10000108.9
738L28.3Very low32Very low145 Ų145139.4 Ų139.476%0.75980%0.802SS**  cis-162.6172.1-39.2-128.1-175.8000109.2
739I32.3Very low32.5Very low159 Ų159136.2 Ų136.282%0.81580%0.797SS**  trans68.5144.8163.9-63155.2000117.2
740S26.6Very low31.7Very low101 Ų101140.7 Ų140.771%0.70681%0.805SS**  cis-164.5124.2-35.8-176.40000112.5
741L31.8Very low31.7Very low152 Ų152140.3 Ų140.380%0.79680%0.801SS**  trans13.5130.4138.7-116.7170.9000122.3
742Q32.9Very low31.7Very low192 Ų192138.2 Ų138.290%0.89780%0.8SS**  trans-160.1156.3134.4-145.7165.39.500113.8
743Q28.6Very low31Very low169 Ų169136.3 Ų136.379%0.7980%0.803SS**  trans-113.7160.1175.9-69.6179-49.500112.2
744P43.2Very low31.1Very low132 Ų132140.3 Ų140.386%0.85781%0.805SS**  -133.7-166.912339.5-30.4000113.5
745L28.2Very low31.8Very low149 Ų149136.1 Ų136.178%0.7879%0.794SS**  trans-156.5137.3-154-177.660000115.9
746M27.3Very low31.3Very low160 Ų160140.6 Ų140.679%0.78881%0.806SS**  trans68.3163.1164.1-68.4-68.5104.100117.5
747A30Very low31.4Very low91 Ų91140.4 Ų140.475%0.75280%0.801SS**  cis-153.6-177.731.300000116.8
748T32.4Very low31.5Very low127 Ų127138.6 Ų138.678%0.77979%0.793SS**  trans-107.2-169.4179.555.30000110.2
749P43.3Very low31.8Very low109 Ų109138.4 Ų138.471%0.70879%0.787SS**  cis-151.1177.816.445.7-23.6000121.2
750K28.4Very low31.8Very low208 Ų208140.9 Ų140.990%0.90479%0.792SS**  trans40122.5145.7-72.1-179.6176.8-176.70123.7
751A26.4Very low32.1Very low91 Ų91143.9 Ų143.975%0.75279%0.794SS**  trans-172.8111.6136.200000109
752S29.5Very low32.1Very low122 Ų122143.2 Ų143.285%0.85380%0.797SS**  62.5113.686.670.40000116.8
753G28Very low32.2Very low83 Ų83139.9 Ų139.986%0.85679%0.792SS**  trans154.2136.3166.800000115.1
754L28.5Very low32.3Very low164 Ų164137.8 Ų137.886%0.85979%0.79SS**  trans-140.9171173.8-124.6176.1000108.6
755P45.9Very low31.9Very low106 Ų106137.3 Ų137.369%0.68879%0.787SS**  -84.4177.9-100.240.4-29.1000114.9
756Q29.5Very low32.1Very low198 Ų198137.9 Ų137.993%0.92579%0.79SS**  trans-148.1169.5143.4-89.6-126.5-7.900111.4
757H29.4Very low32.1Very low156 Ų156135.9 Ų135.972%0.72279%0.792SS**  trans-139.2137.1-156.1161.4-74.2000111.2
758S31.3Very low32.6Very low96 Ų96137.7 Ų137.767%0.67180%0.796SS**  trans-178.4134.3148.7-890000116.5
759F34.1Very low32.5Very low142 Ų142139.7 Ų139.762%0.62380%0.801SS**  trans39.7128.6142.8-65.7-75.1000123
760F33Very low31.9Very low211 Ų211139.3 Ų139.393%0.92581%0.807SS**  -160.6153.794.4-100.2-70.9000111.8
761H33Very low32Very low163 Ų163134.1 Ų134.176%0.75580%0.803SS**  trans-101159.2179.7-76.6-87.7000112.9
762T30.7Very low32.1Very low139 Ų139138.9 Ų138.985%0.85381%0.812SS**  trans-144.5147.4156.4110000110.5
763P35.6Very low32.1Very low122 Ų122139.8 Ų139.879%0.79281%0.812SS**  trans-98.7162.7-164.138-36.4000115.2
764V31.6Very low32.4Very low124 Ų124142.2 Ų142.275%0.75281%0.811SS**  trans-110.2129.1172.6177.30000110.1
765P33.9Very low32.8Very low123 Ų123139.3 Ų139.380%0.79981%0.81SS**  trans-84.3131.5170.832.6-31.5000111.4
766L32.3Very low32.2Very low160 Ų160140.2 Ų140.284%0.83882%0.819SS**  trans-105.6138.4170.9-67.1175000110.4
767S27.4Very low32.4Very low119 Ų119134.2 Ų134.283%0.83281%0.811SS**  trans-92129.9170.9-60.90000110.3
768P39.9Very low32.6Very low129 Ų129135.9 Ų135.984%0.83882%0.819SS**  trans-78.5153.9176.232.5-34.7000112
769L30.9Very low33Very low169 Ų169136.9 Ų136.989%0.88582%0.823SS**  trans-122.2146.6173.4-155.186.3000109.8
770A30.6Very low32.8Very low101 Ų101135 Ų13584%0.83583%0.834SS**  trans63.1134.5169.600000118.2
771A30.7Very low33.2Very low99 Ų99130.8 Ų130.882%0.81883%0.83SS**  trans-145.5134.8162.200000108.6
772M29.1Very low33.3Very low191 Ų191134.3 Ų134.394%0.94184%0.837SS**  trans-77.7160.1175.1-82.1-179.3158.100111.8
773V29.9Very low33.5Very low140 Ų140134.8 Ų134.885%0.84884%0.84SS**  trans-92.5127.7172.3175.60000110
774T33.4Very low33.4Very low135 Ų135135 Ų13583%0.82884%0.839SS**  trans-129.7153.8158.454.40000109.1
775A36.2Very low33.4Very low102 Ų102138.7 Ų138.784%0.84384%0.84SS**  trans-113.6101.3-163.100000113.7
776S33.2Very low33.3Very low125 Ų125138.8 Ų138.887%0.87484%0.839SS**  trans-160.1154.6157.556.60000109.5
777G34.1Very low33.6Very low73 Ų73135.5 Ų135.575%0.75383%0.827SS**  trans-103.3175.8-168.300000116.1
778Q33.6Very low33.8Very low190 Ų190139.1 Ų139.189%0.88883%0.83SS**  trans79.3136.8178.6-61.3-64.3-12.700117.2
779P39.5Very low33.5Very low117 Ų117144.6 Ų144.676%0.7684%0.835SS**  trans-99.1146.4-178.537.8-32.3000113.1
780A30.9Very low33.7Very low104 Ų104145 Ų14586%0.8683%0.829SS**  trans-146.4134.616700000110.9
781S39.9Very low33.9Very low121 Ų121147.8 Ų147.885%0.84683%0.829SS**  trans-102114.2-178.942.70000111.6
782R36.4Very low34Very low238 Ų238149.2 Ų149.290%0.89882%0.823SS**  trans-142.2126165.7-71.7-167.2174.3175.7-1111.7
783T35.4Very low34.1Very low149 Ų149146.1 Ų146.191%0.91482%0.815SS**  trans-83.3139.8171.4-31.40000109.4
784V32.1Very low34.2Very low126 Ų126145.2 Ų145.276%0.76481%0.814SS**  trans-129.6135.8175.6-179.30000109.5V786V784-V786 HydrophobicContact CG1-CG2 4.35Å
785Y33.1Very low34.3Very low201 Ų201143.4 Ų143.479%0.78881%0.813SS**  trans-122.7131.6-178.1167.9-84000109.1P787Y785-P787 HydrophobicContact CE1-CB 4.35Å
786V31.2Very low34.7Very low126 Ų126148 Ų14876%0.76482%0.818SS**  trans-141.9135.8175.7-178.40000107.9V784V784-V786 HydrophobicContact CG1-CG2 4.35Å
787P38.4Very low34.9Very low90 Ų90149.1 Ų149.158%0.58481%0.813SS**PPolyproline II helixtrans-93.7159.6-159.636.1-37.6000115.4Y785Y785-P787 HydrophobicContact CE1-CB 4.35Å
788Q31.1Very low34.8Very low195 Ų195154.5 Ų154.591%0.91184%0.84SS**PPolyproline II helixtrans-76.1142.3167.6-67175.7-32.600111.1
789R34.9Very low34.9Very low245 Ų245152.8 Ų152.893%0.92584%0.837SS**PPolyproline II helixtrans-99.8136.9163.1-61.2-176.7-168.71643.9109
790K34.1Very low34.6Very low176 Ų176154.6 Ų154.677%0.76584%0.841SS**PPolyproline II helixtrans-72.8155.5164.7-78.5-174.6161.9-157.90110.5
791L34.5Very low34.8Very low161 Ų161157.4 Ų157.484%0.84384%0.84SS**  trans-128.7111.4156.2-159.184.8000106.4
792D32.1Very low34.5Very low129 Ų129159.6 Ų159.669%0.6984%0.84SS**  trans-89.8140.5172.3-73.8-72000108.9
793V32.9Very low34.4Very low126 Ų126154.7 Ų154.776%0.76484%0.837SS**  trans-135109.2172.51790000107.5
794S30.5Very low34.3Very low120 Ų120155.1 Ų155.184%0.83983%0.831SS**  trans-102.8139.3164.4-65.70000108.4
795A36.3Very low34.5Very low98 Ų98157.1 Ų157.181%0.8184%0.836SS**  trans-94134.4168.200000109.1
796E44Very low34.6Very low199 Ų199153.8 Ų153.893%0.9384%0.84SS**  trans-95.7100.8161.1-68.7-178118.500108
797D37.8Very low34.9Very low147 Ų147156.1 Ų156.179%0.78685%0.846SS**  trans-161.8123.1132.4-142.4-34.5000110.8
798S32.1Very low34.6Very low187 Ų187162.1 Ų162.1100%1.30887%0.87SS**  trans54.40169.6-57.40000118.8

Retrieved 798 of 798 residues in 744.2 ms (Link to these results)