A0A096MBT1_POEFO Loading...

Neurogenic mastermind-like N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MBT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,088 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.3Very low35.7Very low249 Ų249132.3 Ų132.3100%1.22785%0.853SS**  01150-63.4174.6-112.600106.3
2G34.1Very low34.9Very low77 Ų77127.8 Ų127.879%0.79485%0.85SS**  cis113.9113.912.900000109.4
3E41.2Very low34.5Very low200 Ų200126 Ų12694%0.93585%0.851SS**  trans-72.9154.2-176.5-60.8169.394.100112.8
4A35.4Very low34.3Very low103 Ų103124 Ų12485%0.85185%0.848SS**  trans-154.2130.115000000111.3
5T43.3Very low34Very low129 Ų129123 Ų12379%0.79185%0.851SS**  trans-81.4168.4171.6-6.80000110.9
6P43.7Very low33.7Very low116 Ų116120.2 Ų120.275%0.75385%0.848SS**  -129.4167.967.118.66.4000112.5
7A32.6Very low33.8Very low84 Ų84120.9 Ų120.969%0.69485%0.846SS**  cis65.1144.849.400000112.8
8Q31.6Very low33.6Very low176 Ų176125.7 Ų125.782%0.82285%0.85SS**  cis-161.4169.99.9-153.9178.55.800110.5
9S28.8Very low33.7Very low107 Ų107125.4 Ų125.475%0.74884%0.843SS**  trans69.3165155.6-58.60000118.3
10A29.8Very low34.5Very low99 Ų99125.7 Ų125.782%0.81884%0.843SS**  cis-167.5169-34.700000107.9
11A29.6Very low34.4Very low115 Ų115127.1 Ų127.195%0.9584%0.84SS**  trans-83.2154.9-173.800000114.9
12G26.5Very low34.1Very low79 Ų79122.7 Ų122.781%0.81482%0.821SS**  trans-168.8153171.600000111.3
13A29.9Very low33.9Very low104 Ų104122.4 Ų122.486%0.8682%0.817SS**  trans-149.3170.7-171.800000113.9
14A30.8Very low33.6Very low98 Ų98120.2 Ų120.281%0.8182%0.817SS**  trans90.6131.616000000121
15A30.9Very low33.3Very low109 Ų109118.4 Ų118.490%0.90181%0.809SS**  trans62.2149.8136.900000122.9
16G29.5Very low32.9Very low78 Ų78121.1 Ų121.180%0.80482%0.817SS**  trans143.1122.6155.400000116.8
17T35.1Very low32.3Very low133 Ų133119.3 Ų119.382%0.81682%0.82SS**  trans-134.4144.4165.239.40000109.5
18F30.6Very low32.2Very low207 Ų207120 Ų12091%0.90883%0.826SS**  trans-179.5145.5156.4-102.2-51.5000116.1
19V35.1Very low32.4Very low120 Ų120120.4 Ų120.473%0.72783%0.83SS**  trans38152.3157.5-108.70000123.1
20P49.6Very low33.1Very low130 Ų130121.4 Ų121.484%0.84483%0.834SS**  -141-147.272.638.7-17.1000116.6
21M32.1Very low33Very low157 Ų157120.5 Ų120.577%0.77383%0.834SS**  trans-155.7159.4-135.9-147.6-162.3168.700116.8
22L35.8Very low33.2Very low156 Ų156118.8 Ų118.882%0.81783%0.827SS**  trans75.8151.6155.8-69.3173.4000124.5
23G30.8Very low33.3Very low70 Ų70122.1 Ų122.172%0.72283%0.832SS**  trans117.8114163.100000115.2
24V33.3Very low33.7Very low155 Ų155123.2 Ų123.294%0.93983%0.827SS**  cis105.7120.631.11730000113.6
25G30.9Very low33.7Very low65 Ų65122 Ų12267%0.6783%0.825SS**  trans139.4118.7174.300000112.3
26L34.1Very low33.8Very low186 Ų186124.7 Ų124.797%0.97482%0.824SS**  59.4122.770.3-63.1172.2000113.8
27G31.2Very low33.8Very low78 Ų78124.1 Ų124.180%0.80482%0.818SS**  cis144.3102.6-10.700000114.1
28A30.5Very low33.8Very low99 Ų99123.8 Ų123.882%0.81882%0.818SS**  trans-161.9155.5171.100000113.8
29M35.9Very low34.1Very low183 Ų183122.6 Ų122.690%0.90182%0.818SS**  trans-126.4-176167.8-61.2-75.7-174.400106.8
30P43.5Very low34Very low129 Ų129122.8 Ų122.884%0.83882%0.819SS**  cis-135.1-167.4-2.843.9-26.9000113.7
31G28.6Very low33.4Very low80 Ų80120.7 Ų120.783%0.82581%0.812SS**  trans127.1136.3153.500000115.2
32G31.7Very low33.5Very low78 Ų78118.3 Ų118.380%0.80481%0.807SS**  trans-152.8165.1173.300000111.4
33V30.2Very low33.8Very low150 Ų150116.4 Ų116.491%0.90981%0.806SS**  trans-156.3155170.1124.70000109.7
34V37.6Very low34.3Very low126 Ų126123.8 Ų123.876%0.76481%0.812SS**  trans-81.3141.7-177.2179.80000111.4
35G31.4Very low35Very low74 Ų74120.4 Ų120.476%0.76381%0.809SS**  trans-141.4108.8171.200000112
36N33.4Very low35.7Very low164 Ų164120.8 Ų120.888%0.87781%0.813SS**  trans-85.5130.6176.9-71.2-13.3000110.9
37G28.6Very low36.4Very low66 Ų66116.5 Ų116.568%0.6880%0.798SS**  trans-155.9141.617200000110.2
38P35.6Very low37.4Very low126 Ų126115.9 Ų115.982%0.81879%0.785SS**  trans-81.2129.2-160.730.2-35.3000114V40P38-V40 PolarHBondContact O-N 3.47Å
39M35.4Very low38.4Very low183 Ų183116.8 Ų116.890%0.90178%0.777SS**  trans-69117.4162.158.7-156.2172.800110.3A41M39-A41 PolarHBondContact O-N 3.46Å; M39-A41 VanDerWaalsContact O-N 3.11Å
40V33.5Very low39.3Very low124 Ų124111.1 Ų111.175%0.75275%0.754SS**  trans-76.398.9174.4178.60000108.9P38 T42P38-V40 PolarHBondContact O-N 3.47Å; V40-T42 PolarHBondContact O-N 3.44Å
41A38.4Very low40.1Very low85 Ų85112.2 Ų112.270%0.70275%0.747SS**  trans-7289172.800000110.4M39 S43M39-A41 PolarHBondContact O-N 3.46Å; M39-A41 VanDerWaalsContact O-N 3.11Å; A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.22Å
42T32.6Very low42.2Very low108 Ų108113.3 Ų113.366%0.66373%0.734SS**  trans-78.774177.4-46.70000111.1V40 R44V40-T42 PolarHBondContact O-N 3.44Å; T42-R44 PolarHBondContact O-N 3.36Å
43S42.2Very low44.2Very low115 Ų115115.1 Ų115.180%0.80472%0.721SS**  trans-68.491173.5-62.20000111.3A41A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.22Å
44R41.6Very low46.7Very low226 Ų226112.7 Ų112.785%0.85370%0.703SS**  trans-136.4113.8161.5-66.5-172.9-178.8-166.90.8107T42T42-R44 PolarHBondContact O-N 3.36Å
45G47.2Very low49.1Very low84 Ų84109.4 Ų109.487%0.86669%0.689SS**  cis87.372.811.900000110.5
46G47.2Very low51.9Low73 Ų73111.2 Ų111.275%0.75368%0.68SS**SBendtrans131.1129-178.300000112.6
47S48.5Very low54.7Low96 Ų96105.2 Ų105.267%0.67165%0.649SS**  trans65.859.3172.3-152.40000117.6P50S47-P50 WeakPolarHBondContact OG-CG 3.5Å
48A51.3Low57.7Low64 Ų64106.7 Ų106.753%0.52964%0.638SS.*  trans-88-28.1160.700000112.7Q51 L52A48-Q51 WeakPolarHBondContact O-CB 3.32Å; A48-Q51 PolarHBondContact O-N 3.37Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; A48-L52 PolarHBondContact O-N 3.16Å; A48-L52 VanDerWaalsContact O-N 3.07Å
49D52Low60.3Low119 Ų119109.1 Ų109.164%0.63663%0.631SS**Hα-helixtrans-56.2-50.2-173.1-177.247.5000115.7Q51 L52 H53D49-Q51 PolarHBondContact O-N 3.38Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; D49-L52 WeakPolarHBondContact O-CB 3.49Å; D49-L52 PolarHBondContact O-N 3.45Å; D49-H53 PolarHBondContact O-N 3.48Å
50P53.9Low63.1Low64 Ų64104.8 Ų104.842%0.41661%0.611SS.*Hα-helixtrans-63.9-22.3178.325.5-34.8000112.9S47 N54S47-P50 WeakPolarHBondContact OG-CG 3.5Å; P50-N54 PolarHBondContact O-N 3.2Å; P50-N54 PolarHBondContact O-ND2 3.47Å
51Q62.3Low66.1Low151 Ų151105.8 Ų105.871%0.70660%0.601SS**Hα-helixtrans-79.1-37.1175-162170.95.900111.4A48 D49 A55A48-Q51 WeakPolarHBondContact O-CB 3.32Å; A48-Q51 PolarHBondContact O-N 3.37Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; D49-Q51 PolarHBondContact O-N 3.38Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.23Å
52L72.4Confident68.7Low104 Ų104104.7 Ų104.755%0.54559%0.592SS.*Hα-helixtrans-64.6-45.5170.6-67.9173.8000111.6A48 D49 N54 A55 I56A48-L52 PolarHBondContact O-N 3.16Å; A48-L52 VanDerWaalsContact O-N 3.07Å; D49-L52 WeakPolarHBondContact O-CB 3.49Å; D49-L52 PolarHBondContact O-N 3.45Å; L52-N54 PolarHBondContact O-N 3.41Å; L52-A55 PolarHBondContact O-N 3.37Å; L52-A55 VanDerWaalsContact O-N 3.17Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.04Å
53H73.6Confident71.7Confident116 Ų116105.4 Ų105.454%0.53758%0.583SS.*Hα-helixtrans-57.6-47.1176.4-174.291.1000111.7D49 A55 I56 V57D49-H53 PolarHBondContact O-N 3.48Å; H53-A55 PolarHBondContact O-N 2.83Å; H53-I56 PolarHBondContact O-N 3.15Å; H53-V57 WeakPolarHBondContact O-CG2 3.32Å; H53-V57 PolarHBondContact O-N 3.12Å
54N82.7Confident74.3Confident99 Ų99104.4 Ų104.453%0.52957%0.567SS.*Hα-helixtrans-62.4-41.5175.6-84.4-80.7000112.4P50 L52 I56 V57 E58P50-N54 PolarHBondContact O-N 3.2Å; P50-N54 PolarHBondContact O-ND2 3.47Å; L52-N54 PolarHBondContact O-N 3.41Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.45Å; N54-V57 PolarHBondContact O-N 3.43Å; N54-E58 PolarHBondContact O-N 3.32Å
55A86.5Confident76.9Confident57 Ų5797 Ų9747%0.47154%0.543SS..Hα-helixtrans-64-36.917600000112.8Q51 L52 H53 R59Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.23Å; L52-A55 PolarHBondContact O-N 3.37Å; L52-A55 VanDerWaalsContact O-N 3.17Å; H53-A55 PolarHBondContact O-N 2.83Å; A55-R59 VanDerWaalsContact O-CB 3.26Å; A55-R59 WeakPolarHBondContact O-CB 3.31Å; A55-R59 PolarHBondContact O-N 3.36Å
56I90.2Very high79Confident111 Ų11199.4 Ų99.457%0.56953%0.531SS*.Hα-helixtrans-67.1-44.4174.6-69.1163000110.5L52 H53 N54 R59 L60L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.04Å; H53-I56 PolarHBondContact O-N 3.15Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.45Å; I56-R59 CarbonylContact O-C 3.6Å; I56-R59 PolarHBondContact O-N 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.37Å; I56-L60 PolarHBondContact O-N 2.81Å
57V93.6Very high81.2Confident38 Ų38102.9 Ų102.923%0.2353%0.526CS..Hα-helixtrans-63.7-42177169.20000111.6H53 N54 L60 R61H53-V57 WeakPolarHBondContact O-CG2 3.32Å; H53-V57 PolarHBondContact O-N 3.12Å; N54-V57 PolarHBondContact O-N 3.43Å; V57-L60 WeakPolarHBondContact O-CB 3.49Å; V57-L60 PolarHBondContact O-N 2.94Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.22Å
58E91.9Very high83.5Confident97 Ų97106.3 Ų106.345%0.45352%0.524SS..Hα-helixtrans-66.2-42173.6-76.4-55.3127.700112.3N54 L60 R61 A62N54-E58 PolarHBondContact O-N 3.32Å; E58-L60 PolarHBondContact O-N 3.29Å; E58-R61 PolarHBondContact O-N 3.27Å; E58-R61 WeakPolarHBondContact OE1-CD 3.35Å; E58-R61 IonicContact OE1-CZ 2.64Å; E58-R61 IonicContact OE1-NE 3.73Å; E58-R61 IonicContact OE1-NH1 3.69Å; E58-R61 PolarHBondContact OE1-NH1 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.36Å
59R89.3Confident85.6Confident178 Ų178110.9 Ų110.967%0.67253%0.528SS*.Hα-helixtrans-67.7-18.9174.5-164.2173.6-175.3-179.52.1112.9A55 I56 R63A55-R59 VanDerWaalsContact O-CB 3.26Å; A55-R59 WeakPolarHBondContact O-CB 3.31Å; A55-R59 PolarHBondContact O-N 3.36Å; I56-R59 CarbonylContact O-C 3.6Å; I56-R59 PolarHBondContact O-N 3.26Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-NE 3.3Å
60L95.4Very high87.7Confident91 Ų91111 Ų11148%0.47652%0.524SS..Hα-helixtrans-82.5-46.3169.7-178.759.9000111.3I56 V57 E58 A62 R63 I64I56-L60 WeakPolarHBondContact O-CB 3.37Å; I56-L60 PolarHBondContact O-N 2.81Å; V57-L60 WeakPolarHBondContact O-CB 3.49Å; V57-L60 PolarHBondContact O-N 2.94Å; E58-L60 PolarHBondContact O-N 3.29Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.04Å; L60-R63 PolarHBondContact O-N 3.29Å; L60-R63 VanDerWaalsContact O-N 3.16Å; L60-I64 HydrophobicContact CD1-CD1 4.14Å; L60-I64 HydrophobicContact CD1-CG1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.92Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 3.16Å
61R95.1Very high89.7Confident145 Ų145113.9 Ų113.955%0.54753%0.532SS..Hα-helixtrans-55.3-47.3173.5-74.5167.1176.9175.81.9111.5V57 E58 R63 I64 E65V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.22Å; E58-R61 PolarHBondContact O-N 3.27Å; E58-R61 WeakPolarHBondContact OE1-CD 3.35Å; E58-R61 IonicContact OE1-CZ 2.64Å; E58-R61 IonicContact OE1-NE 3.73Å; E58-R61 IonicContact OE1-NH1 3.69Å; E58-R61 PolarHBondContact OE1-NH1 3.31Å; R61-R63 PolarHBondContact O-N 3.43Å; R61-I64 PolarHBondContact O-N 3.13Å; R61-E65 WeakPolarHBondContact O-CB 3.18Å; R61-E65 PolarHBondContact O-N 3.38Å
62A94.2Very high91.2Very high62 Ų62109.4 Ų109.451%0.51252%0.517SS..Hα-helixtrans-59.2-42.3176.100000112.6E58 L60 Q66E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.36Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.04Å; A62-Q66 WeakPolarHBondContact O-CB 3.21Å; A62-Q66 PolarHBondContact O-N 3.11Å
63R94.5Very high92.2Very high124 Ų124107.7 Ų107.747%0.46851%0.511SS..Hα-helixtrans-69.8-40.6176.4-80.1-174.7-78.4-174.8-0.4112.7R59 L60 R61 E65 Q66 F67R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-NE 3.3Å; L60-R63 PolarHBondContact O-N 3.29Å; L60-R63 VanDerWaalsContact O-N 3.16Å; R61-R63 PolarHBondContact O-N 3.43Å; R63-E65 VanDerWaalsContact C-N 3.32Å; R63-E65 PolarHBondContact O-N 3.22Å; R63-Q66 WeakPolarHBondContact O-CB 3.41Å; R63-Q66 PolarHBondContact O-N 3.3Å; R63-F67 HydrophobicContact CB-CE2 4.46Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.38Å
64I96.4Very high93.2Very high93 Ų93104.6 Ų104.648%0.47750%0.502SS..Hα-helixtrans-59.8-44.4174.3-69.8166.8000110.5L60 R61 F67 R68L60-I64 HydrophobicContact CD1-CD1 4.14Å; L60-I64 HydrophobicContact CD1-CG1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.92Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 3.16Å; R61-I64 PolarHBondContact O-N 3.13Å; I64-F67 PolarHBondContact O-N 3.18Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 2.87Å
65E96.3Very high93.8Very high72 Ų72104.2 Ų104.234%0.33650%0.497SS..Hα-helixtrans-68.5-35.7177176.658.1-173.700112.4R61 R63 R68 R69R61-E65 WeakPolarHBondContact O-CB 3.18Å; R61-E65 PolarHBondContact O-N 3.38Å; R63-E65 VanDerWaalsContact C-N 3.32Å; R63-E65 PolarHBondContact O-N 3.22Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE2-NE 2.65Å; E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 2.95Å; E65-R69 IonicContact OE1-CZ 3.2Å; E65-R69 IonicContact OE1-NE 2.74Å; E65-R69 PolarHBondContact OE1-NE 3.46Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å
66Q91.3Very high94.2Very high133 Ų133106 Ų10662%0.62150%0.499SS*.Hα-helixtrans-61-43.4170.2-172.81794.300111.7A62 R63 R69 H70A62-Q66 WeakPolarHBondContact O-CB 3.21Å; A62-Q66 PolarHBondContact O-N 3.11Å; R63-Q66 WeakPolarHBondContact O-CB 3.41Å; R63-Q66 PolarHBondContact O-N 3.3Å; Q66-R69 PolarHBondContact O-N 3.36Å; Q66-H70 WeakPolarHBondContact O-CB 3.24Å; Q66-H70 PolarHBondContact O-N 2.84Å
67F94.6Very high94.3Very high146 Ų146109.4 Ų109.464%0.6451%0.505SS*.Hα-helixtrans-64.2-39.2174.1-73-58.8000112.5R63 I64 H70 H71R63-F67 HydrophobicContact CB-CE2 4.46Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.38Å; I64-F67 PolarHBondContact O-N 3.18Å; F67-H70 PolarHBondContact O-N 3.35Å; F67-H71 WeakPolarHBondContact O-CB 3.46Å; F67-H71 PolarHBondContact O-N 2.9Å
68R96.5Very high94.4Very high169 Ų169115 Ų11564%0.63852%0.522SS*.Hα-helixtrans-61.3-44.8174-72.9177.760.973.44.8112.1I64 E65 H71 S72I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 2.87Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE2-NE 2.65Å; R68-H71 PolarHBondContact O-N 3.33Å; R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 3.09Å
69R95.8Very high94.4Very high160 Ų160115.9 Ų115.960%0.60453%0.527SS*.Hα-helixtrans-64.7-41.3176.1-69.6173.7-169.2-168.65.4112E65 Q66 T73E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 2.95Å; E65-R69 IonicContact OE1-CZ 3.2Å; E65-R69 IonicContact OE1-NE 2.74Å; E65-R69 PolarHBondContact OE1-NE 3.46Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å; Q66-R69 PolarHBondContact O-N 3.36Å; R69-T73 WeakPolarHBondContact O-CB 3.32Å; R69-T73 PolarHBondContact O-N 2.72Å; R69-T73 PolarHBondContact O-OG1 3.45Å
70H95.6Very high94.4Very high120 Ų120115.4 Ų115.456%0.55653%0.525SS*.Hα-helixtrans-62.5-49.5174.9-178.883.4000111.5Q66 F67 S72 T73 C74Q66-H70 WeakPolarHBondContact O-CB 3.24Å; Q66-H70 PolarHBondContact O-N 2.84Å; F67-H70 PolarHBondContact O-N 3.35Å; H70-S72 PolarHBondContact O-N 3.33Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 PolarHBondContact O-N 2.85Å; H70-T73 VanDerWaalsContact O-N 3.12Å; H70-C74 VanDerWaalsContact CE1-SG 3.58Å; H70-C74 PolarHBondContact NE2-SG 3.44Å; H70-C74 VanDerWaalsContact NE2-SG 3.39Å; H70-C74 PolarHBondContact O-N 3.46Å; H70-C74 PolarHBondContact O-SG 2.9Å
71H95.4Very high94.1Very high125 Ų125112.7 Ų112.758%0.57952%0.519SS*.Hα-helixtrans-56.2-50.3176.9-173.2-69.9000111.5F67 R68 T73 C74 E75F67-H71 WeakPolarHBondContact O-CB 3.46Å; F67-H71 PolarHBondContact O-N 2.9Å; R68-H71 PolarHBondContact O-N 3.33Å; H71-T73 VanDerWaalsContact C-N 3.29Å; H71-T73 PolarHBondContact O-N 3.27Å; H71-C74 PolarHBondContact O-N 3.49Å; H71-E75 IonicContact CE1-OE2 2.65Å; H71-E75 IonicContact ND1-OE2 2.63Å; H71-E75 PolarHBondContact ND1-OE2 3.5Å; H71-E75 VanDerWaalsContact O-CB 3.29Å; H71-E75 WeakPolarHBondContact O-CB 3.25Å; H71-E75 PolarHBondContact O-N 3.07Å
72S94.4Very high93.8Very high57 Ų57110.3 Ų110.340%0.39951%0.514SS..Hα-helixtrans-61.2-36.5177.7-173.50000112.4R68 H70 N76R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 3.09Å; H70-S72 PolarHBondContact O-N 3.33Å; S72-N76 WeakPolarHBondContact O-CB 3.42Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.93Å
73T93.7Very high93.3Very high68 Ų68109.8 Ų109.842%0.41751%0.509SS..Hα-helixtrans-66.2-43.7175.3-570000111.7R69 H70 H71 N76 R77R69-T73 WeakPolarHBondContact O-CB 3.32Å; R69-T73 PolarHBondContact O-N 2.72Å; R69-T73 PolarHBondContact O-OG1 3.45Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 PolarHBondContact O-N 2.85Å; H70-T73 VanDerWaalsContact O-N 3.12Å; H71-T73 VanDerWaalsContact C-N 3.29Å; H71-T73 PolarHBondContact O-N 3.27Å; T73-N76 PolarHBondContact O-N 2.9Å; T73-R77 WeakPolarHBondContact O-CG 3.47Å; T73-R77 PolarHBondContact O-N 3.07Å
74C94.8Very high92.9Very high52 Ų52109.3 Ų109.335%0.35151%0.513SS..Hα-helixtrans-68.7-37.7177.8-69.50000112H70 H71 R77 Y78H70-C74 VanDerWaalsContact CE1-SG 3.58Å; H70-C74 PolarHBondContact NE2-SG 3.44Å; H70-C74 VanDerWaalsContact NE2-SG 3.39Å; H70-C74 PolarHBondContact O-N 3.46Å; H70-C74 PolarHBondContact O-SG 2.9Å; H71-C74 PolarHBondContact O-N 3.49Å; C74-R77 PolarHBondContact O-N 2.99Å; C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.49Å
75E95.6Very high92.5Very high90 Ų90107.3 Ų107.342%0.42151%0.507SS..Hα-helixtrans-63.3-44.6173.4-176.5173-171.100112H71 R77 Y78 Q79H71-E75 IonicContact CE1-OE2 2.65Å; H71-E75 IonicContact ND1-OE2 2.63Å; H71-E75 PolarHBondContact ND1-OE2 3.5Å; H71-E75 VanDerWaalsContact O-CB 3.29Å; H71-E75 WeakPolarHBondContact O-CB 3.25Å; H71-E75 PolarHBondContact O-N 3.07Å; E75-R77 PolarHBondContact O-N 3.37Å; E75-Y78 PolarHBondContact O-N 3.29Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.16Å
76N93.6Very high92Very high96 Ų96107.2 Ų107.251%0.51351%0.514SS..Hα-helixtrans-62.7-39.2173.6-85.4-82.9000112.4S72 T73 R80S72-N76 WeakPolarHBondContact O-CB 3.42Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.93Å; T73-N76 PolarHBondContact O-N 2.9Å; N76-R80 WeakPolarHBondContact O-CB 3.49Å; N76-R80 PolarHBondContact O-N 3.46Å
77R92.5Very high91.8Very high182 Ų182105.8 Ų105.869%0.68751%0.511SS*.Hα-helixtrans-65-41.3173.6-73.4175.4-177.7-1630.6111.7T73 C74 E75 R80 G81T73-R77 WeakPolarHBondContact O-CG 3.47Å; T73-R77 PolarHBondContact O-N 3.07Å; C74-R77 PolarHBondContact O-N 2.99Å; E75-R77 PolarHBondContact O-N 3.37Å; R77-R80 PolarHBondContact O-N 3.01Å; R77-G81 PolarHBondContact O-N 2.89Å
78Y95.3Very high91.6Very high154 Ų154108.4 Ų108.460%0.60452%0.517SS*.Hα-helixtrans-66.6-45.5178.3-175.7-98.9000112.1C74 E75 R80 G81 Q82C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.49Å; E75-Y78 PolarHBondContact O-N 3.29Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 3.21Å; Y78-G81 PolarHBondContact O-N 3.09Å; Y78-Q82 HydrophobicContact CD1-CG 4.18Å; Y78-Q82 HydrophobicContact CE1-CG 3.84Å; Y78-Q82 WeakPolarHBondContact O-CB 3.3Å; Y78-Q82 VanDerWaalsContact O-CG 3.31Å; Y78-Q82 WeakPolarHBondContact O-CG 3.39Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Y78-Q82 PolarHBondContact OH-NE2 2.88Å
79Q91.4Very high91.2Very high117 Ų117106.3 Ų106.355%0.54751%0.514SS..Hα-helixtrans-61.6-40.3174.8-71.5-176.618.500112E75 Q82 A83E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.16Å; Q79-Q82 PolarHBondContact O-N 2.82Å; Q79-A83 PolarHBondContact O-N 3.42Å
80R90.3Very high91Very high168 Ų168103.8 Ų103.863%0.63451%0.509SS*.Hα-helixtrans-62.8-49.2173.8-174.1-176-60.4-158.9-1.3111.9N76 R77 Y78 Q82 A83 E84N76-R80 WeakPolarHBondContact O-CB 3.49Å; N76-R80 PolarHBondContact O-N 3.46Å; R77-R80 PolarHBondContact O-N 3.01Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 3.21Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 3.24Å; R80-A83 WeakPolarHBondContact O-CB 3.4Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.11Å; R80-E84 WeakPolarHBondContact CD-OE1 3.21Å; R80-E84 HydrophobicContact CG-CG 4.29Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.45Å
81G89.8Confident90.7Very high34 Ų34104 Ų10435%0.35151%0.51SS..Hα-helixtrans-61.5-33.117800000113.2R77 Y78 S85R77-G81 PolarHBondContact O-N 2.89Å; Y78-G81 PolarHBondContact O-N 3.09Å; G81-S85 VanDerWaalsContact O-CB 3.27Å; G81-S85 WeakPolarHBondContact O-CB 3.26Å; G81-S85 PolarHBondContact O-N 3.43Å
82Q87.8Confident90.5Very high95 Ų95102.5 Ų102.544%0.44451%0.506SS..Hα-helixtrans-68.4-40.8172.5-75.3-71.5-3.800112.4Y78 Q79 R80 S85 S86Y78-Q82 HydrophobicContact CD1-CG 4.18Å; Y78-Q82 HydrophobicContact CE1-CG 3.84Å; Y78-Q82 WeakPolarHBondContact O-CB 3.3Å; Y78-Q82 VanDerWaalsContact O-CG 3.31Å; Y78-Q82 WeakPolarHBondContact O-CG 3.39Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Y78-Q82 PolarHBondContact OH-NE2 2.88Å; Q79-Q82 PolarHBondContact O-N 2.82Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 3.24Å; Q82-S85 PolarHBondContact O-N 2.89Å; Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.27Å; Q82-S86 PolarHBondContact O-N 2.9Å
83A83.4Confident90.3Very high50 Ų50103.2 Ų103.241%0.41351%0.509SS..Hα-helixtrans-63.7-50.1172.700000111.3Q79 R80 S85 S86 D87Q79-A83 PolarHBondContact O-N 3.42Å; R80-A83 WeakPolarHBondContact O-CB 3.4Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.11Å; A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 2.8Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 VanDerWaalsContact O-N 3.12Å; A83-D87 PolarHBondContact O-N 2.72Å
84E86.3Confident90.1Very high115 Ų115103.4 Ų103.454%0.53751%0.507SS..Hα-helixtrans-60.9-33.3177.8-69.8170.7-175.700112.6R80 R88R80-E84 WeakPolarHBondContact CD-OE1 3.21Å; R80-E84 HydrophobicContact CG-CG 4.29Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.45Å; E84-R88 VanDerWaalsContact O-CB 3.24Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 PolarHBondContact O-N 2.9Å; E84-R88 VanDerWaalsContact O-N 3.16Å
85S87.2Confident89.7Confident50 Ų50106.6 Ų106.635%0.3552%0.516SS..Hα-helixtrans-70.9-46171.9-163.20000111.9G81 Q82 A83 D87 R88 E89G81-S85 VanDerWaalsContact O-CB 3.27Å; G81-S85 WeakPolarHBondContact O-CB 3.26Å; G81-S85 PolarHBondContact O-N 3.43Å; Q82-S85 PolarHBondContact O-N 2.89Å; A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 2.8Å; S85-D87 VanDerWaalsContact C-N 3.35Å; S85-D87 PolarHBondContact O-N 3.04Å; S85-R88 PolarHBondContact O-N 3.44Å; S85-E89 WeakPolarHBondContact O-CB 3.22Å; S85-E89 WeakPolarHBondContact O-CG 3.31Å; S85-E89 PolarHBondContact O-N 3.02Å; S85-E89 PolarHBondContact OG-OE1 3.31Å
86S86.6Confident89.2Confident71 Ų71107 Ų10750%0.49752%0.52SS..Hα-helixtrans-61.2-41.6178.3-179.70000112Q82 A83 E89 H90Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.27Å; Q82-S86 PolarHBondContact O-N 2.9Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 VanDerWaalsContact O-N 3.12Å; S86-E89 PolarHBondContact O-N 3.12Å; S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 2.87Å
87D88.3Confident88.9Confident103 Ų103106.7 Ų106.755%0.55152%0.518SS*.Hα-helixtrans-66.9-39.5176.3-69.4-20.3000110.9A83 S85 H90 E91A83-D87 PolarHBondContact O-N 2.72Å; S85-D87 VanDerWaalsContact C-N 3.35Å; S85-D87 PolarHBondContact O-N 3.04Å; D87-H90 WeakPolarHBondContact O-CB 3.39Å; D87-H90 PolarHBondContact O-N 3.11Å; D87-E91 PolarHBondContact O-N 3.44Å
88R89Confident88.4Confident201 Ų201102 Ų10276%0.75851%0.507SS*.Hα-helixtrans-69.3-33.4176.2-167.4171.8-171151.71.9113E84 S85 N92E84-R88 VanDerWaalsContact O-CB 3.24Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 PolarHBondContact O-N 2.9Å; E84-R88 VanDerWaalsContact O-N 3.16Å; S85-R88 PolarHBondContact O-N 3.44Å; R88-N92 VanDerWaalsContact O-CB 3.24Å; R88-N92 WeakPolarHBondContact O-CB 3.35Å; R88-N92 PolarHBondContact O-N 3.42Å
89E88.5Confident87.9Confident124 Ų12499.1 Ų99.158%0.57950%0.501SS*.Hα-helixtrans-69.9-36.4170.1-76.5175-140.200111.7S85 S86 T93S85-E89 WeakPolarHBondContact O-CB 3.22Å; S85-E89 WeakPolarHBondContact O-CG 3.31Å; S85-E89 PolarHBondContact O-N 3.02Å; S85-E89 PolarHBondContact OG-OE1 3.31Å; S86-E89 PolarHBondContact O-N 3.12Å; E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 PolarHBondContact O-N 3.49Å; E89-T93 PolarHBondContact O-OG1 2.91Å
90H92.1Very high87.1Confident107 Ų10798.9 Ų98.950%0.49551%0.507SS..Hα-helixtrans-65-50.6173.9-169.865.6000111.5S86 D87 N92 T93 L94S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 2.87Å; D87-H90 WeakPolarHBondContact O-CB 3.39Å; D87-H90 PolarHBondContact O-N 3.11Å; H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.07Å; H90-T93 CarbonylContact O-C 3.58Å; H90-T93 WeakPolarHBondContact O-CA 3.31Å; H90-T93 WeakPolarHBondContact O-CB 3.44Å; H90-T93 PolarHBondContact O-N 3.31Å; H90-T93 VanDerWaalsContact O-N 3.09Å; H90-L94 WeakPolarHBondContact O-CG 3.29Å; H90-L94 PolarHBondContact O-N 3.29Å
91E89.4Confident86.1Confident124 Ų12498.8 Ų98.858%0.57951%0.514SS*.Hα-helixtrans-59.1-42.3175.2-78-63.5123.800112.2D87 T93 L94 H95D87-E91 PolarHBondContact O-N 3.44Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 2.85Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 2.8Å
92N90.6Very high84.9Confident94 Ų94104.1 Ų104.150%0.50353%0.53SS..Hα-helixtrans-62.4-40.6173.8-171.515.7000111.7R88 H90 H95 L96R88-N92 VanDerWaalsContact O-CB 3.24Å; R88-N92 WeakPolarHBondContact O-CB 3.35Å; R88-N92 PolarHBondContact O-N 3.42Å; H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.07Å; N92-H95 PolarHBondContact O-N 3.4Å; N92-L96 WeakPolarHBondContact O-CB 3.35Å; N92-L96 WeakPolarHBondContact O-CG 3.25Å; N92-L96 PolarHBondContact O-N 3.18Å
93T90.8Very high83.3Confident73 Ų73101.6 Ų101.645%0.44853%0.529SS..Hα-helixtrans-65.2-41.5175.1-58.10000111.7E89 H90 E91 L96 L97E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 PolarHBondContact O-N 3.49Å; E89-T93 PolarHBondContact O-OG1 2.91Å; H90-T93 CarbonylContact O-C 3.58Å; H90-T93 WeakPolarHBondContact O-CA 3.31Å; H90-T93 WeakPolarHBondContact O-CB 3.44Å; H90-T93 PolarHBondContact O-N 3.31Å; H90-T93 VanDerWaalsContact O-N 3.09Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 2.85Å; T93-L96 PolarHBondContact O-N 2.85Å; T93-L97 HydrophobicContact CG2-CD1 4.14Å; T93-L97 WeakPolarHBondContact O-CB 3.35Å; T93-L97 VanDerWaalsContact O-CG 3.25Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 2.97Å
94L88.3Confident81.9Confident72 Ų72106.3 Ų106.338%0.37756%0.556SS.*Hα-helixtrans-64.1-41174-70.9177.1000111.6H90 E91 L97 N98H90-L94 WeakPolarHBondContact O-CG 3.29Å; H90-L94 PolarHBondContact O-N 3.29Å; E91-L94 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.14Å; L94-N98 VanDerWaalsContact O-CB 3.31Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.48Å
95H87.3Confident80.4Confident119 Ų119103.7 Ų103.755%0.55156%0.56SS**Hα-helixtrans-64.4-42.9175.9-173.1-105.6000111.9E91 N92 N98 I99E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 2.8Å; N92-H95 PolarHBondContact O-N 3.4Å; H95-N98 PolarHBondContact O-N 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.32Å; H95-I99 PolarHBondContact O-N 2.92Å
96L85.7Confident78.7Confident97 Ų97108 Ų10851%0.50858%0.579SS.*Hα-helixtrans-60.7-45.2171.5-79160.7000112.2N92 T93 N98 I99 V100N92-L96 WeakPolarHBondContact O-CB 3.35Å; N92-L96 WeakPolarHBondContact O-CG 3.25Å; N92-L96 PolarHBondContact O-N 3.18Å; T93-L96 PolarHBondContact O-N 2.85Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.26Å; L96-I99 PolarHBondContact O-N 3.15Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.13Å
97L85.8Confident76.9Confident90 Ų90116.8 Ų116.847%0.47160%0.601SS.*Hα-helixtrans-62.8-37.7175.6-74.2167.1000112.1T93 L94 V100 Q101T93-L97 HydrophobicContact CG2-CD1 4.14Å; T93-L97 WeakPolarHBondContact O-CB 3.35Å; T93-L97 VanDerWaalsContact O-CG 3.25Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 2.97Å; L94-L97 PolarHBondContact O-N 3.14Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-Q101 WeakPolarHBondContact O-CB 3.48Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.31Å
98N82.8Confident74.8Confident83 Ų83120.5 Ų120.544%0.44461%0.612SS.*Hα-helixtrans-66.3-45.2176.4-166.1-34.5000111.1L94 H95 L96 V100 Q101 Q102L94-N98 VanDerWaalsContact O-CB 3.31Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.48Å; H95-N98 PolarHBondContact O-N 3.43Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.26Å; N98-V100 VanDerWaalsContact C-N 3.31Å; N98-V100 PolarHBondContact O-N 2.65Å; N98-Q101 PolarHBondContact O-N 3.4Å; N98-Q102 WeakPolarHBondContact O-CG 3.38Å; N98-Q102 PolarHBondContact O-N 3.1Å; N98-Q102 PolarHBondContact OD1-NE2 2.9Å
99I83.8Confident72.6Confident94 Ų94116.7 Ų116.748%0.48262%0.616SS.*Hα-helixtrans-58.3-42.1172.9-69.8165.2000111.4H95 L96 Q102H95-I99 WeakPolarHBondContact O-CG1 3.32Å; H95-I99 PolarHBondContact O-N 2.92Å; L96-I99 PolarHBondContact O-N 3.15Å; I99-Q102 CarbonylContact O-C 3.52Å; I99-Q102 PolarHBondContact O-N 2.87Å
100V76.2Confident70.2Confident112 Ų112120.7 Ų120.768%0.67963%0.632SS**Hα-helixtrans-68.5-35.3177.6170.30000112.1L96 L97 N98 G103L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.06Å; N98-V100 VanDerWaalsContact C-N 3.31Å; N98-V100 PolarHBondContact O-N 2.65Å; V100-G103 PolarHBondContact O-N 3.41Å
101Q69.2Low67.6Low167 Ų167119.3 Ų119.378%0.7865%0.647SS**Hα-helixtrans-72.7-26.8173.4-73.5-178.87.400112.9L97 N98 G103L97-Q101 WeakPolarHBondContact O-CB 3.48Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.31Å; N98-Q101 PolarHBondContact O-N 3.4Å; Q101-G103 PolarHBondContact O-N 3.36Å; Q101-G103 VanDerWaalsContact O-N 3.09Å
102Q63.6Low64.9Low146 Ų146119.4 Ų119.468%0.68266%0.661SS**THydrogen-bonded Turntrans-7830.9167.2-67.6-173.656.600113.1N98 I99N98-Q102 WeakPolarHBondContact O-CG 3.38Å; N98-Q102 PolarHBondContact O-N 3.1Å; N98-Q102 PolarHBondContact OD1-NE2 2.9Å; I99-Q102 CarbonylContact O-C 3.52Å; I99-Q102 PolarHBondContact O-N 2.87Å
103G54.8Low62.7Low42 Ų42127 Ų12743%0.43368%0.683SS.*  trans-52.2154.1173.900000112.9V100 Q101 G105V100-G103 PolarHBondContact O-N 3.41Å; Q101-G103 PolarHBondContact O-N 3.36Å; Q101-G103 VanDerWaalsContact O-N 3.09Å; G103-G105 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.18Å
104P54.3Low59.8Low148 Ų148127 Ų12796%0.96170%0.698SS**SBendtrans-70.373.8-149.627.3-37.5000116.1
105G54.4Low57.2Low61 Ų61129 Ų12963%0.62972%0.717SS**  trans-93.7133.8173.400000113.4G103G103-G105 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.18Å
106N50.8Low54.6Low139 Ų139129.7 Ų129.774%0.74373%0.725SS**  trans60.260.8167.8-73.4-60.7000118.1
107R50.4Low52.1Low256 Ų256134.2 Ų134.297%0.96674%0.743SS**  trans-91.585.7140-73.1-168.5179.9-167.71109.7S109R107-S109 PolarHBondContact O-N 3.34Å
108K43.6Very low49.4Very low181 Ų181138.5 Ų138.579%0.78776%0.761SS**  trans-67114.8174.7-76.6-175.2175.4179.50110.3K110K108-K110 PolarHBondContact O-N 3.4Å
109S42.1Very low47.3Very low121 Ų121140 Ų14085%0.84678%0.775SS**  trans-70.8112.5173.342.30000110.9R107 G111R107-S109 PolarHBondContact O-N 3.34Å; S109-G111 PolarHBondContact O-N 2.74Å
110K37.9Very low45.3Very low209 Ų209141 Ų14191%0.90979%0.788SS**  trans-98.764.5-176.8-162.2-176.2176.1-177.10113.3K108K108-K110 PolarHBondContact O-N 3.4Å
111G38.8Very low43.1Very low78 Ų78142.5 Ų142.580%0.80479%0.792SS**  trans66.7141.1146.300000120.9S109S109-G111 PolarHBondContact O-N 2.74Å
112S31.5Very low41.2Very low126 Ų126145.3 Ų145.388%0.88180%0.797SS**  trans-134.1152.2141.4-1710000108.1
113R44.2Very low39.5Very low253 Ų253143.4 Ų143.496%0.95580%0.8SS**  trans-107.2148.3-173.5-77.3178.4167.1174-5.8111.4
114G31.6Very low38.3Very low74 Ų74152.9 Ų152.976%0.76382%0.823SS**  trans-155.7106.9173.200000114.7
115S33.1Very low37Very low112 Ų112149.3 Ų149.378%0.78381%0.806SS**  trans57115.1151.2-143.80000122.7
116N32Very low35.9Very low134 Ų134153.5 Ų153.572%0.71781%0.814SS**  trans36.2108133.1-72.4-29.3000121.7
117Q33.4Very low34.7Very low192 Ų192153.4 Ų153.490%0.89781%0.813SS**  -178.5141.396.1-99.1150.5114.900114
118Q29.4Very low33.8Very low181 Ų181147.9 Ų147.985%0.84680%0.802SS**  trans-98.1164.1147.3-88.9-178.7-59.600107.2
119P38.3Very low33.1Very low114 Ų114148.7 Ų148.774%0.7481%0.805SS**  cis-141.7-151.932.841.3-19.4000113.2
120P41.2Very low32.5Very low114 Ų114148.5 Ų148.574%0.7480%0.804SS**  -114.4-176.6-54.127.1-8.3000112.1
121D30.2Very low32Very low145 Ų145144 Ų14478%0.77580%0.799SS**  trans-64.9148.8-178.7-50.7-100.5000115.8
122Y29.4Very low31.6Very low225 Ų225148.7 Ų148.788%0.88281%0.805SS**  trans-165.4123.8133-107.7-66.7000113.7
123S28.4Very low31.7Very low107 Ų107147.2 Ų147.275%0.74880%0.8SS**  trans24.1122.6150.6-590000122.6
124R28.8Very low31.3Very low240 Ų240140.6 Ų140.691%0.90679%0.79SS**  144.9113.8101-173.8169.6-177.5144.10.9116.6
125A28.1Very low31.3Very low74 Ų74143.1 Ų143.161%0.61279%0.791SS**  trans61.1143.3146.900000121.9
126N29.8Very low31.1Very low148 Ų148147.8 Ų147.879%0.79180%0.797SS**  trans66.8137.4172.2-49.2-13000113.4
127D26.8Very low30.9Very low137 Ų137149.8 Ų149.873%0.73380%0.802SS**  cis-158.5171.428.3-126.3-38.7000114
128I31.1Very low30.9Very low141 Ų141146.9 Ų146.972%0.72380%0.8SS**  trans58121.9151.4-64161.4000121.4
129F28.6Very low30.8Very low197 Ų197145.6 Ų145.686%0.86480%0.798SS**  trans-15.7130.9153.7-79.8-111000118.9
130S29.5Very low31Very low118 Ų118145.5 Ų145.583%0.82580%0.798SS**  -178.9162116.7-85.30000114.7
131S28.6Very low30.6Very low113 Ų113146 Ų14679%0.7980%0.799SS**  trans64.476.9157.9-173.60000119.4
132L30.4Very low30.7Very low178 Ų178146.8 Ų146.893%0.93280%0.802SS**  trans-123.6115.7138.3-87.1169.8000109.8
133A32.8Very low30.7Very low94 Ų94145.5 Ų145.578%0.77780%0.801SS**  trans-109.3133.6171.100000109.4
134P36.4Very low31.1Very low115 Ų115145.2 Ų145.275%0.74780%0.797SS**  trans-105.7130.1158.5-4.524.9000111.6
135T30.5Very low31.4Very low126 Ų126142.8 Ų142.877%0.77380%0.798SS**  trans-36.5145.3156.747.10000115.3
136F28.5Very low31.5Very low211 Ų211146.4 Ų146.493%0.92581%0.806SS**  trans-140.1151.6142.1-105-77.4000111.4
137Q28.9Very low32Very low175 Ų175144.8 Ų144.882%0.81880%0.803SS**  trans-94.6156.6-173.1-64.5169.2-3800111.8
138P33.6Very low32.1Very low132 Ų132146.1 Ų146.186%0.85781%0.81SS**  trans-77.1129.2165.831.9-31.9000110.7
139L27.8Very low32.4Very low154 Ų154144.9 Ų144.981%0.80681%0.811SS**  trans-115.3132.6167.1-169.874.4000108.4
140P42.3Very low32.3Very low112 Ų112145.5 Ų145.573%0.72781%0.813SS**  trans-78.1141.9-177.431.7-34.7000111.6
141T31.9Very low32.5Very low124 Ų124146.7 Ų146.776%0.76181%0.806SS**  trans-119.1105.4172.9510000110.8
142L33.3Very low32.9Very low162 Ų162146.2 Ų146.285%0.84880%0.8SS**  trans-67.2134.4153.3-87.874.9000108.7
143F28.2Very low33.2Very low197 Ų197143.6 Ų143.686%0.86479%0.794SS**  trans-137.2152.2148.7-98.4-89.1000108.6
144P38.2Very low33.4Very low101 Ų101145.1 Ų145.166%0.65679%0.794SS**  trans-91.1158.6-15835.6-34.9000114I146P144-I146 PolarHBondContact O-N 3.43Å
145M34.3Very low33.3Very low189 Ų189144.8 Ų144.893%0.93179%0.792SS**  trans-71.7118.4163.8-78-73.5-172.600110.6
146I30Very low33.5Very low150 Ų150144.8 Ų144.877%0.76979%0.794SS**  trans-130.7128.9155.9-65-176000106.8P144P144-I146 PolarHBondContact O-N 3.43Å
147P40.8Very low33.4Very low115 Ų115140.7 Ų140.775%0.74779%0.79SS**  trans-90.1144.9-166.234.4-35.6000113.4
148L29.3Very low33.5Very low165 Ų165140 Ų14086%0.86479%0.791SS**  trans-138144.5157.8-83.7175.4000110.1
149P35.8Very low33.5Very low115 Ų115142.4 Ų142.475%0.74779%0.791SS**  trans-83.6123.4-170.632-33.6000112.2
150F27.8Very low33.7Very low209 Ų209140.2 Ų140.292%0.91779%0.788SS**  trans-112.8102.9158.9-103-88.2000109.8
151Q32.1Very low33.1Very low143 Ų143139.9 Ų139.967%0.66879%0.787SS**PPolyproline II helixtrans-77.6117.9-180-173.1175.6-1.200109.2M927Q151-M927 HydrophobicContact CG-SD 4.5Å; Q151-M927 PolarHBondContact NE2-SD 3.2Å
152P38.3Very low33.1Very low104 Ų104140 Ų14068%0.67579%0.793SS**PPolyproline II helixtrans-68.6146177.228.7-34000110.4T154P152-T154 PolarHBondContact O-N 3.12Å
153P36.4Very low33.1Very low122 Ų122143.4 Ų143.479%0.79280%0.795SS**PPolyproline II helixtrans-63.9133.4174.727.5-33.8000110.1
154T36Very low33.1Very low127 Ų127139.6 Ų139.678%0.77979%0.791SS**PPolyproline II helixtrans-60.7127.2178.6470000111P152P152-T154 PolarHBondContact O-N 3.12Å
155P35.9Very low32.9Very low108 Ų108141.5 Ų141.570%0.70180%0.801SS**PPolyproline II helixtrans-66.4144.1171.329.1-34000110C157P155-C157 PolarHBondContact O-N 3.43Å
156P33.9Very low32.8Very low126 Ų126137.5 Ų137.582%0.81879%0.792SS**PPolyproline II helixtrans-64.3134.2171.128-33.5000109.7L158P156-L158 PolarHBondContact O-N 2.89Å; P156-L158 VanDerWaalsContact O-N 3.13Å
157C26.8Very low32.8Very low125 Ų125138.3 Ų138.385%0.84580%0.798SS**  trans-63.7114179.9-67.80000110.3P155 E159P155-C157 PolarHBondContact O-N 3.43Å; C157-E159 VanDerWaalsContact C-N 3.28Å; C157-E159 PolarHBondContact O-N 2.9Å
158L29.9Very low32.3Very low159 Ų159145 Ų14583%0.83281%0.808SS**  trans-87.371-179.4-140.5174.3000110P156 S160P156-L158 PolarHBondContact O-N 2.89Å; P156-L158 VanDerWaalsContact O-N 3.13Å; L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.36Å
159E35.6Very low32.5Very low183 Ų183141.5 Ų141.586%0.85580%0.803SS**  trans-72.973179.9-169.5179.4-172.100111.7C157C157-E159 VanDerWaalsContact C-N 3.28Å; C157-E159 PolarHBondContact O-N 2.9Å
160S30.6Very low32Very low108 Ų108141.2 Ų141.276%0.75580%0.804SS**  trans-175.995.1157.4-86.70000112.9L158L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.36Å
161C30.7Very low32.4Very low105 Ų105139 Ų13971%0.70980%0.801SS**  -179.591.6118.6-167.50000110.6
162S31.4Very low32.1Very low127 Ų127141 Ų14189%0.88881%0.81SS**  trans-137.447.6169-72.30000110.4
163R32.6Very low31.8Very low234 Ų234144.4 Ų144.488%0.88382%0.815SS**  trans-14543.9-177.3-155.8-178.1-71-169.1-0.6113.6
164C29.7Very low31.5Very low116 Ų116147.5 Ų147.578%0.78482%0.819SS**SBendtrans-132.614.1173.7-74.50000114.5
165T33.7Very low31.2Very low141 Ų141149 Ų14987%0.86582%0.82SS**SBendtrans-1274-175.748.30000114.9
166S32.4Very low30.8Very low106 Ų106147.7 Ų147.774%0.74181%0.814SS**SBendtrans-129.272.3178.9-176.10000112
167N29.1Very low30.8Very low166 Ų166152.6 Ų152.689%0.88882%0.816SS**  trans-171.7110.2146.9-98.4-15.7000109.2
168R31.4Very low31Very low257 Ų257151.9 Ų151.997%0.9780%0.8SS**  trans-146.870169-162.1178.2-172.9-179.41.5111.8
169A31.8Very low31Very low91 Ų91149.6 Ų149.675%0.75279%0.789SS**  trans-134.6153.8160.400000108.2
170S27.1Very low30.7Very low109 Ų109147.6 Ų147.676%0.76278%0.778SS**SBendtrans58.788174.9-60.60000118.2
171N34.3Very low30.8Very low162 Ų162151.5 Ų151.587%0.86678%0.776SS**  37.885.6120.1-53.4-13.7000119.5
172H25.9Very low30.7Very low185 Ų185150.5 Ų150.586%0.85677%0.769SS**  -153.6159.7127.4-153.4-96.2000111.6
173F33.8Very low30.7Very low176 Ų176148.2 Ų148.277%0.77275%0.752SS**  trans-90.8115.4172.5-123.1-100000109.7
174E28.7Very low30.6Very low187 Ų187141.5 Ų141.587%0.87473%0.734SS**  trans-177.2132.9138.1-105.2-176.8145.300109.5
175I29.4Very low30.6Very low157 Ų157138.5 Ų138.581%0.80571%0.714SS**  trans-125.9113.2168.9-63.4177.7000106.1
176S27.3Very low30.9Very low82 Ų82136.4 Ų136.457%0.57370%0.697SS**  trans-72162.7-173.2-158.50000112.6E178S176-E178 VanDerWaalsContact CB-OE2 3.31Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.82Å; S176-E178 PolarHBondContact OG-OE2 3.21Å
177R34.5Very low31.4Very low228 Ų228135.9 Ų135.986%0.8669%0.686SS**THydrogen-bonded Turntrans-79.4-2-168.9-146.8171-175.2173.81.9113.8
178E30.4Very low31.8Very low110 Ų110134.5 Ų134.551%0.51467%0.674SS.*THydrogen-bonded Turntrans-79.4-42-175-76.156.7-120.900113.4S176 F180 R181S176-E178 VanDerWaalsContact CB-OE2 3.31Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.82Å; S176-E178 PolarHBondContact OG-OE2 3.21Å; E178-F180 VanDerWaalsContact C-N 3.29Å; E178-F180 PolarHBondContact O-N 3.48Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.02Å
179D30.4Very low32.1Very low112 Ų112128.7 Ų128.760%0.59966%0.655SS**THydrogen-bonded Turntrans-60.2-37-167.8-70.6-36.5000113.2R181 C182D179-R181 PolarHBondContact O-N 2.87Å; D179-C182 WeakPolarHBondContact O-CB 3.14Å; D179-C182 PolarHBondContact O-N 2.85Å
180F30.5Very low32.8Very low140 Ų140128.2 Ų128.261%0.61464%0.643SS**Hα-helixtrans-61.4-16.4175.7-104.4-81.7000114E178 N184E178-F180 VanDerWaalsContact C-N 3.29Å; E178-F180 PolarHBondContact O-N 3.48Å; F180-N184 PolarHBondContact O-ND2 3.31Å
181R31.4Very low33.6Very low191 Ų191128 Ų12872%0.72163%0.633SS**Hα-helixtrans-82.3-21.5176.9-155.7-179-60.1-119.55.5112.5E178 D179E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.02Å; D179-R181 PolarHBondContact O-N 2.87Å
182C28.5Very low34.1Very low83 Ų83126.6 Ų126.656%0.56162%0.619SS**Hα-helixtrans-72.8-51.6-175.9-153.10000111.8D179 N184 S185 I186D179-C182 WeakPolarHBondContact O-CB 3.14Å; D179-C182 PolarHBondContact O-N 2.85Å; C182-N184 PolarHBondContact O-N 3.24Å; C182-S185 WeakPolarHBondContact O-CB 3.14Å; C182-S185 PolarHBondContact O-N 3.47Å; C182-I186 PolarHBondContact O-N 2.79Å
183C31.1Very low35Very low80 Ų80125.9 Ų125.954%0.54161%0.614SS.*Hα-helixtrans-54.8-50.2-179.5-55.10000112.3S185 I186 D187C183-S185 PolarHBondContact O-N 2.9Å; C183-I186 WeakPolarHBondContact O-CB 3.39Å; C183-I186 PolarHBondContact O-N 2.74Å; C183-D187 PolarHBondContact O-N 3.29Å
184N30.6Very low35.7Very low92 Ų92122.5 Ų122.549%0.49260%0.6SS.*Hα-helixtrans-61.9-18.4179.9-68.7-83.8000114F180 C182F180-N184 PolarHBondContact O-ND2 3.31Å; C182-N184 PolarHBondContact O-N 3.24Å
185S30.9Very low36.6Very low54 Ų54118.1 Ų118.138%0.37858%0.583SS.*Hα-helixtrans-82.4-23.8173.9-164.90000112.8C182 C183 K189C182-S185 WeakPolarHBondContact O-CB 3.14Å; C182-S185 PolarHBondContact O-N 3.47Å; C183-S185 PolarHBondContact O-N 2.9Å; S185-K189 WeakPolarHBondContact O-CD 3.46Å; S185-K189 VanDerWaalsContact O-CG 3.29Å; S185-K189 WeakPolarHBondContact O-CG 3.41Å; S185-K189 PolarHBondContact OG-NZ 2.97Å
186I38.9Very low37.6Very low96 Ų96116 Ų11649%0.49257%0.572SS.*Hα-helixtrans-76-49.3-179.6-62.3169.8000109.5C182 C183 H188 K189 V190C182-I186 PolarHBondContact O-N 2.79Å; C183-I186 WeakPolarHBondContact O-CB 3.39Å; C183-I186 PolarHBondContact O-N 2.74Å; I186-H188 VanDerWaalsContact C-N 3.33Å; I186-H188 PolarHBondContact O-N 2.95Å; I186-K189 WeakPolarHBondContact O-CA 3.46Å; I186-K189 WeakPolarHBondContact O-CB 3.35Å; I186-K189 PolarHBondContact O-N 2.96Å; I186-V190 HydrophobicContact CG2-CG2 4.13Å; I186-V190 WeakPolarHBondContact O-CG2 3.39Å; I186-V190 PolarHBondContact O-N 3.43Å
187D43.2Very low38.5Very low96 Ų96114.8 Ų114.851%0.51356%0.563SS.*Hα-helixtrans-56.6-43.8-178.4-62-50.4000112.8C183 K189 V190 L191C183-D187 PolarHBondContact O-N 3.29Å; D187-K189 VanDerWaalsContact C-N 3.29Å; D187-K189 PolarHBondContact O-N 3.46Å; D187-V190 PolarHBondContact O-N 3.01Å; D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 2.91Å
188H37.1Very low39.3Very low136 Ų136108.1 Ų108.163%0.6354%0.544SS*.Hα-helixtrans-69.7-24.2177.4-166-54.8000112.7I186 K192I186-H188 VanDerWaalsContact C-N 3.33Å; I186-H188 PolarHBondContact O-N 2.95Å; H188-K192 VanDerWaalsContact O-CB 3.26Å; H188-K192 WeakPolarHBondContact O-CB 3.46Å; H188-K192 PolarHBondContact O-N 3.3Å
189K37.9Very low40.3Very low135 Ų135107 Ų10759%0.58755%0.545SS*.Hα-helixtrans-77.8-43.2172.9-73.1168.8-174.7166.30111S185 I186 D187 K192 F193S185-K189 WeakPolarHBondContact O-CD 3.46Å; S185-K189 VanDerWaalsContact O-CG 3.29Å; S185-K189 WeakPolarHBondContact O-CG 3.41Å; S185-K189 PolarHBondContact OG-NZ 2.97Å; I186-K189 WeakPolarHBondContact O-CA 3.46Å; I186-K189 WeakPolarHBondContact O-CB 3.35Å; I186-K189 PolarHBondContact O-N 2.96Å; D187-K189 VanDerWaalsContact C-N 3.29Å; D187-K189 PolarHBondContact O-N 3.46Å; K189-K192 PolarHBondContact O-N 3Å; K189-F193 PolarHBondContact O-N 3.35Å
190V47.2Very low41.1Very low81 Ų81107.7 Ų107.749%0.49154%0.544SS..Hα-helixtrans-61.8-51.5176.4174.70000110.9I186 D187 K192 F193 E194I186-V190 HydrophobicContact CG2-CG2 4.13Å; I186-V190 WeakPolarHBondContact O-CG2 3.39Å; I186-V190 PolarHBondContact O-N 3.43Å; D187-V190 PolarHBondContact O-N 3.01Å; V190-K192 PolarHBondContact O-N 2.96Å; V190-F193 WeakPolarHBondContact O-CB 3.42Å; V190-F193 PolarHBondContact O-N 3.43Å; V190-E194 PolarHBondContact O-N 3.31Å
191L43.8Very low41.6Very low105 Ų105108.5 Ų108.555%0.5554%0.544SS..Hα-helixtrans-58-33.2175.8-84.1164.5000113.2D187 L195D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 2.91Å; L191-L195 WeakPolarHBondContact O-CD1 3.17Å; L191-L195 PolarHBondContact O-N 3.14Å
192K44.3Very low42.5Very low133 Ų133103.6 Ų103.658%0.57853%0.532SS*.Hα-helixtrans-76.2-32176.8-164.9172.5-174.9-179.10112.2H188 K189 V190 L196H188-K192 VanDerWaalsContact O-CB 3.26Å; H188-K192 WeakPolarHBondContact O-CB 3.46Å; H188-K192 PolarHBondContact O-N 3.3Å; K189-K192 PolarHBondContact O-N 3Å; V190-K192 PolarHBondContact O-N 2.96Å; K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 WeakPolarHBondContact O-CD1 3.4Å; K192-L196 PolarHBondContact O-N 2.9Å; K192-L196 VanDerWaalsContact O-N 3.15Å
193F45.3Very low43.1Very low169 Ų169106.8 Ų106.874%0.74154%0.538SS*.Hα-helixtrans-69-43.4172-122.2-92.4000111.5K189 V190 L196 S197K189-F193 PolarHBondContact O-N 3.35Å; V190-F193 WeakPolarHBondContact O-CB 3.42Å; V190-F193 PolarHBondContact O-N 3.43Å; F193-L196 PolarHBondContact O-N 3.46Å; F193-S197 PolarHBondContact O-N 2.9Å
194E47.9Very low43.8Very low106 Ų106108.1 Ų108.150%0.49554%0.54SS..Hα-helixtrans-60.3-48173.3-80.7-60.6138.500112.4V190 L196 S197 I198V190-E194 PolarHBondContact O-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.06Å; E194-S197 PolarHBondContact O-N 3.03Å; E194-S197 PolarHBondContact O-OG 3.37Å; E194-I198 WeakPolarHBondContact O-CB 3.35Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.37Å; E194-I198 PolarHBondContact O-N 3.1Å
195L47.7Very low44.4Very low95 Ų95109.7 Ų109.750%0.49754%0.544SS..Hα-helixtrans-63.2-33.2176.2-100.384000112.8L191 T199L191-L195 WeakPolarHBondContact O-CD1 3.17Å; L191-L195 PolarHBondContact O-N 3.14Å; L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.45Å; L195-T199 PolarHBondContact O-N 2.94Å; L195-T199 VanDerWaalsContact O-N 3.1Å; L195-T199 PolarHBondContact O-OG1 3.01Å
196L50.7Low44.8Very low113 Ų113109.4 Ų109.459%0.59255%0.549SS*.Hα-helixtrans-70.8-40.2173.1-97.394.5000112.3K192 F193 E194 T199 H200K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 WeakPolarHBondContact O-CD1 3.4Å; K192-L196 PolarHBondContact O-N 2.9Å; K192-L196 VanDerWaalsContact O-N 3.15Å; F193-L196 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.06Å; L196-T199 PolarHBondContact O-N 3.27Å; L196-H200 VanDerWaalsContact O-CB 3.31Å; L196-H200 WeakPolarHBondContact O-CB 3.33Å; L196-H200 PolarHBondContact O-N 3.36Å
197S46.7Very low44.9Very low55 Ų55109.1 Ų109.139%0.38556%0.556SS.*Hα-helixtrans-63.3-47178.676.40000111F193 E194 T199 H200 Y201F193-S197 PolarHBondContact O-N 2.9Å; E194-S197 PolarHBondContact O-N 3.03Å; E194-S197 PolarHBondContact O-OG 3.37Å; S197-T199 PolarHBondContact O-N 3.2Å; S197-H200 PolarHBondContact O-N 3.01Å; S197-Y201 WeakPolarHBondContact O-CB 3.39Å; S197-Y201 PolarHBondContact O-N 2.65Å
198I51.3Low44.7Very low88 Ų88112.3 Ų112.345%0.45157%0.572SS.*Hα-helixtrans-62.3-42.7177.5-66.2166.1000110.7E194 Y201 L202E194-I198 WeakPolarHBondContact O-CB 3.35Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.37Å; E194-I198 PolarHBondContact O-N 3.1Å; I198-Y201 PolarHBondContact O-N 2.88Å; I198-L202 HydrophobicContact CG2-CD1 4.13Å; I198-L202 WeakPolarHBondContact O-CG 3.41Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.07Å
199T52.1Low44.9Very low88 Ų88116.8 Ų116.854%0.5458%0.584SS.*Hα-helixtrans-65.1-41.9177.7-60.80000111.5L195 L196 S197 L202 Q203L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.45Å; L195-T199 PolarHBondContact O-N 2.94Å; L195-T199 VanDerWaalsContact O-N 3.1Å; L195-T199 PolarHBondContact O-OG1 3.01Å; L196-T199 PolarHBondContact O-N 3.27Å; S197-T199 PolarHBondContact O-N 3.2Å; T199-L202 PolarHBondContact O-N 3.17Å; T199-Q203 WeakPolarHBondContact O-CB 3.31Å; T199-Q203 PolarHBondContact O-N 3.4Å
200H46.4Very low45.4Very low126 Ų126120.6 Ų120.658%0.58359%0.594SS**Hα-helixtrans-69.1-36.5178.7-160.5-105.4000112.1L196 S197 Q203 L204L196-H200 VanDerWaalsContact O-CB 3.31Å; L196-H200 WeakPolarHBondContact O-CB 3.33Å; L196-H200 PolarHBondContact O-N 3.36Å; S197-H200 PolarHBondContact O-N 3.01Å; H200-Q203 PolarHBondContact O-N 3.21Å; H200-L204 WeakPolarHBondContact O-CG 3.28Å; H200-L204 PolarHBondContact O-N 3.11Å; H200-L204 VanDerWaalsContact O-N 3.16Å
201Y40.9Very low45.1Very low157 Ų157126.3 Ų126.362%0.61661%0.613SS**Hα-helixtrans-62.6-46.5174.3-175.2-102.8000112.1S197 I198 Q203 L204 Q205S197-Y201 WeakPolarHBondContact O-CB 3.39Å; S197-Y201 PolarHBondContact O-N 2.65Å; I198-Y201 PolarHBondContact O-N 2.88Å; Y201-Q203 PolarHBondContact O-N 2.9Å; Y201-L204 PolarHBondContact O-N 3.37Å; Y201-Q205 PolarHBondContact O-N 3.33Å
202L50.5Low44.8Very low87 Ų87130.3 Ų130.346%0.45563%0.63SS.*Hα-helixtrans-64.7-38.2176.7-70.3168.7000112.5I198 T199 L204 Q205 G206I198-L202 HydrophobicContact CG2-CD1 4.13Å; I198-L202 WeakPolarHBondContact O-CG 3.41Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.07Å; T199-L202 PolarHBondContact O-N 3.17Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.39Å; L202-Q205 PolarHBondContact O-N 2.93Å; L202-G206 PolarHBondContact O-N 3.26Å; L202-G206 VanDerWaalsContact O-N 3.13Å
203Q41.5Very low44.2Very low150 Ų150133.7 Ų133.770%0.70165%0.648SS**Hα-helixtrans-60.3-40.3175.7-167.775.4-9.400112T199 H200 Y201T199-Q203 WeakPolarHBondContact O-CB 3.31Å; T199-Q203 PolarHBondContact O-N 3.4Å; H200-Q203 PolarHBondContact O-N 3.21Å; Y201-Q203 PolarHBondContact O-N 2.9Å
204L45.8Very low43.4Very low108 Ų108129 Ų12957%0.56565%0.648SS**Hα-helixtrans-70.7-45.1176.8-74165.1000112.1H200 Y201 L202 G206 S207H200-L204 WeakPolarHBondContact O-CG 3.28Å; H200-L204 PolarHBondContact O-N 3.11Å; H200-L204 VanDerWaalsContact O-N 3.16Å; Y201-L204 PolarHBondContact O-N 3.37Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.39Å; L204-G206 VanDerWaalsContact C-N 3.26Å; L204-G206 PolarHBondContact O-N 3Å; L204-S207 WeakPolarHBondContact O-CB 3.45Å; L204-S207 PolarHBondContact O-N 3Å; L204-S207 VanDerWaalsContact O-N 3.11Å
205Q41.3Very low42.6Very low126 Ų126131.5 Ų131.559%0.58967%0.665SS**Hα-helixtrans-63.6-31.4-178.4-156.6-175.237.600112.7Y201 L202 S207Y201-Q205 PolarHBondContact O-N 3.33Å; L202-Q205 PolarHBondContact O-N 2.93Å; Q205-S207 VanDerWaalsContact C-N 3.35Å
206G40.5Very low41.6Very low47 Ų47133.8 Ų133.849%0.48568%0.683SS.*Hα-helixtrans-72.5-20.4175.600000115.3L202 L204L202-G206 PolarHBondContact O-N 3.26Å; L202-G206 VanDerWaalsContact O-N 3.13Å; L204-G206 VanDerWaalsContact C-N 3.26Å; L204-G206 PolarHBondContact O-N 3Å
207S40.9Very low40.6Very low90 Ų90135.1 Ų135.163%0.62970%0.696SS**Hα-helixtrans-80.1-35.7-173.8-164.30000113.1L204 Q205 R209L204-S207 WeakPolarHBondContact O-CB 3.45Å; L204-S207 PolarHBondContact O-N 3Å; L204-S207 VanDerWaalsContact O-N 3.11Å; Q205-S207 VanDerWaalsContact C-N 3.35Å; S207-R209 PolarHBondContact O-N 3.23Å; S207-R209 VanDerWaalsContact O-N 3.12Å
208L38.2Very low39.7Very low163 Ų163136 Ų13685%0.85371%0.714SS**THydrogen-bonded Turntrans-72.1-9.2-168-149.172.5000115.1
209R42.1Very low38.7Very low231 Ų231139.7 Ų139.787%0.87273%0.734SS**THydrogen-bonded Turntrans-95.612.2-172.9-81.3-173.6172.1-951.2116S207S207-R209 PolarHBondContact O-N 3.23Å; S207-R209 VanDerWaalsContact O-N 3.12Å
210R49.3Very low37.7Very low215 Ų215144.2 Ų144.281%0.81175%0.746SS**SBendtrans-142.460.4178.4-65.9-163.6-55.2-78.5-3.8115.7
211K40.4Very low36.9Very low201 Ų201146.3 Ų146.387%0.87476%0.756SS**  trans-16277.8152.3-159.8165.964.9175.50114.9
212M37.3Very low36.3Very low188 Ų188146.1 Ų146.193%0.92677%0.765SS**  trans-159.466.3158.247.9-161.5-64.400113.1
213E30.4Very low35.3Very low204 Ų204145.5 Ų145.595%0.95378%0.78SS**  trans-156.6135.8151-118.9178.716800107.4
214G30.3Very low34.8Very low72 Ų72146.7 Ų146.774%0.74279%0.791SS**  trans145.8111.1-17600000113.9
215N30Very low33.9Very low158 Ų158146 Ų14685%0.84580%0.795SS**  trans-60.1153.6-174-58.8-9.7000114.3
216T28Very low33.2Very low143 Ų143146.1 Ų146.188%0.87781%0.808SS**  trans-125118.4151.449.20000109.8
217T29.7Very low32.6Very low140 Ų140147 Ų14786%0.85982%0.818SS**  trans-89.7130169.337.20000109
218G26.6Very low31.9Very low74 Ų74152.7 Ų152.776%0.76383%0.831SS**  trans-72.1174.2-158.200000117.5
219L30.9Very low31.5Very low166 Ų166149.7 Ų149.787%0.86982%0.824SS**  trans-157.7167.9146.4-106.6164.1000110.3
220K29.7Very low30.9Very low182 Ų182141.4 Ų141.479%0.79181%0.81SS**  trans-54.9164-169.7-58.9176.3-179.8-179.70113.6
221Q31.3Very low30.1Very low170 Ų170136.5 Ų136.579%0.79481%0.809SS**  cis-156.2146.744.3-59.9177.220.500116
222N28.4Very low29.5Very low153 Ų153132.7 Ų132.782%0.81880%0.798SS**  trans44.3126.9140.6-52.8-8.8000122.4
223G28.3Very low29.1Very low74 Ų74131.3 Ų131.376%0.76379%0.787SS**  trans141.978.3142.700000119.1
224L31Very low29.2Very low176 Ų176129.3 Ų129.392%0.92178%0.775SS**  trans29.7142143.3-52.4177.6000121.1
225S27.8Very low29Very low94 Ų94135.6 Ų135.666%0.65778%0.777SS**  cis-174.2158.2-9.8-176.70000109.5
226C26.7Very low29Very low127 Ų127133.3 Ų133.386%0.85877%0.768SS**  trans40.6147159.959.50000121.9
227G27.4Very low28.9Very low67 Ų67137.1 Ų137.169%0.69177%0.766SS**  cis-150.6162.3-6.700000108.4
228F26.1Very low29.2Very low209 Ų209136.4 Ų136.492%0.91776%0.756SS**  60.6126.753.7-144.3-89.2000112.7
229S30.5Very low29.3Very low100 Ų100138.8 Ų138.870%0.69975%0.752SS**  cis-167.5172.8-17.4-172.60000108.5
230G29Very low29.3Very low56 Ų56135.6 Ų135.658%0.57775%0.749SS**  trans132.7117.5164.300000112.4
231S32.9Very low29.2Very low112 Ų112130.9 Ų130.978%0.78375%0.753SS**  cis83.7133.542.780.60000114
232D27.2Very low29.2Very low122 Ų122126.1 Ų126.165%0.65275%0.749SS**  cis-172.8162.7-23.4-130.5-38.9000110.9
233F29.9Very low29.5Very low159 Ų159127.6 Ų127.670%0.69776%0.756SS**  trans50.2150150.3-65.1-49000124.6
234K31.5Very low29.6Very low162 Ų162127 Ų12770%0.70475%0.75SS**  trans77.8149142.1-79.3158.9179.1176.60119.7
235R27.2Very low29.5Very low204 Ų204128.2 Ų128.277%0.7775%0.751SS**  cis-168.5141.9-27.9-122-176.5-143.2176.93.9111
236V29.5Very low29.5Very low110 Ų110127.2 Ų127.267%0.66776%0.755SS**  trans31.6123.8130.9177.30000120.4L238V236-L238 HydrophobicContact CG1-CD1 3.67Å; V236-L238 HydrophobicContact CG1-CG 3.82Å
237R25.8Very low29.4Very low222 Ų222126.9 Ų126.984%0.83875%0.754SS**  trans-147.4138.9130-133.5162.8177.3124.36.7107.5
238L34.8Very low29.3Very low125 Ų125128.8 Ų128.865%0.65476%0.756SS**  cis65.6146.840.2-60.4168.5000111.5V236V236-L238 HydrophobicContact CG1-CD1 3.67Å; V236-L238 HydrophobicContact CG1-CG 3.82Å
239D30Very low29.1Very low125 Ų125125.1 Ų125.167%0.66875%0.746SS**  cis-152169.59.3-89.7-49.4000108
240A29.7Very low29Very low98 Ų98127 Ų12781%0.8174%0.743SS**  cis-173.6163.4-21.700000109.8
241G27.6Very low28.6Very low84 Ų84130.6 Ų130.687%0.86675%0.749SS**  trans144.1133.5166.300000114.4
242G31.8Very low28.5Very low70 Ų70132.4 Ų132.472%0.72275%0.749SS**  cis120.11447.500000110.6
243L34.8Very low28.5Very low184 Ų184133 Ų13396%0.96376%0.758SS**  cis-152172.26.4-64.7168.5000107.6
244G30.4Very low28.9Very low62 Ų62133.8 Ų133.864%0.63976%0.763SS**  cis164.3174.2-3.400000112
245H30Very low28.8Very low201 Ų201131.1 Ų131.193%0.93176%0.762SS**  trans66.2153173.5-70.4-112.2000117.6
246G26.1Very low28.9Very low72 Ų72128 Ų12874%0.74276%0.76SS**  cis110.9140.57.900000111.4
247S26.1Very low28.8Very low121 Ų121131 Ų13185%0.84677%0.767SS**  cis-145.6-146.67.9-167.90000110.6
248C23.9Very low28.8Very low107 Ų107123.3 Ų123.372%0.72376%0.756SS**  trans-139.3162.2-158.264.30000118.4
249N23.3Very low28.3Very low132 Ų132123 Ų12371%0.70676%0.764SS**  trans94.7147.8136.5-156.416.9000121.5
250H27.2Very low28.3Very low139 Ų139121.9 Ų121.964%0.64477%0.766SS**  trans69.6140.915264.5-111.2000125.7
251N22.1Very low28.5Very low132 Ų132123.1 Ų123.171%0.70676%0.764SS**  trans82.196.8152.2-69.5-31.9000122.6
252L29.5Very low28.5Very low149 Ų149123.4 Ų123.478%0.7876%0.758SS**  49.9100.9100.2-172.284.8000118.6
253T27.2Very low28.4Very low136 Ų136123.5 Ų123.583%0.83476%0.759SS**  -156.6133.9127.113.30000111.4
254H39Very low28.3Very low175 Ų175121.2 Ų121.281%0.8175%0.747SS**  trans-72.3154.6151.2-81.7-88.3000108.1
255P29.7Very low28.3Very low105 Ų105124.4 Ų124.468%0.68275%0.746SS**  -140.3146.8103.433.1-18.3000114.8
256L28.6Very low28.3Very low139 Ų139124.1 Ų124.173%0.72874%0.736SS**  trans56.8121.1130.7-58.6178.3000119
257Q26.9Very low28.4Very low174 Ų174128.6 Ų128.681%0.81374%0.735SS**  95.4146.878.1-170.5178.222.300110.6
258G25.3Very low28.5Very low59 Ų59128 Ų12861%0.60872%0.722SS**  cis-141.8-176.4-5.300000110.2
259S25.8Very low28.6Very low119 Ų119131.5 Ų131.583%0.83272%0.722SS**  cis49.2112.549.4-161.60000110.2
260S30.3Very low28.9Very low101 Ų101133 Ų13371%0.70673%0.727SS**  -169.3-177.353.350.30000108.7
261T33.8Very low29.2Very low124 Ų124134.5 Ų134.576%0.76174%0.736SS**  cis-134.113916.249.90000110.5
262A26.4Very low30.4Very low90 Ų90132.6 Ų132.674%0.74473%0.731SS**  cis75.8125.346.300000113.9
263G30.5Very low30.5Very low72 Ų72134.1 Ų134.174%0.74273%0.734SS**  trans155.339.1-169.700000112.7
264L31.2Very low30.5Very low136 Ų136130.5 Ų130.571%0.71272%0.723SS**  52.7104.886.2-91.8169.1000114.3
265Q31.3Very low30.2Very low130 Ų130130.7 Ų130.761%0.60773%0.729SS**  -158.5138.6107.3-78.3-38.6-36.600113.8
266R30.7Very low30Very low195 Ų195128.8 Ų128.874%0.73673%0.728SS**  trans14.7147.3139.7-74.6172.9-88.1-153-3.3119.3
267K28Very low30.1Very low165 Ų165127.4 Ų127.472%0.71773%0.73SS**  cis-166.3172.416.9-117.2-176.3167.2-1750106.6
268N27.4Very low30.5Very low108 Ų108126.6 Ų126.658%0.57873%0.731SS**  cis-174.9171.3-31.2-112.455.9000108.5
269Y26.9Very low31.3Very low181 Ų181132.1 Ų132.171%0.7174%0.743SS**  trans73.8136.3163.9-52.3-57.3000117.1
270M29.9Very low31.6Very low164 Ų164135.8 Ų135.881%0.80874%0.744SS**  cis-149.1178.4-4.4-98.6-85.780.100111.4
271M33.5Very low31.5Very low170 Ų170137.9 Ų137.984%0.83775%0.748SS**  trans-130.6-161.8-176.7-141.1116.216100108.5
272P46.8Very low31.4Very low93 Ų93139.1 Ų139.160%0.60475%0.747SS**  cis-137.7-166.6-11.8252.4000115.9
273H32Very low32Very low181 Ų181139.9 Ų139.984%0.83874%0.742SS**  trans82.4155.3167.7-53.7-79000118.4
274G26.1Very low32.6Very low60 Ų60144.9 Ų144.962%0.61975%0.751SS**  cis141.2152.3-15.700000116.3
275I32Very low32.7Very low179 Ų179148 Ų14892%0.91876%0.759SS**  trans71.2149.4176.9-50.8166.4000112.5
276G25.7Very low32.9Very low65 Ų65149.1 Ų149.167%0.6776%0.764SS**  cis171.6-178.6-7.100000111.9
277S31.7Very low33.1Very low109 Ų109147 Ų14776%0.76277%0.765SS**  trans-43.6135.7-178.850.10000117.9
278D35.4Very low33.7Very low158 Ų158149.1 Ų149.185%0.84577%0.773SS**  -174.3129.1126.2-93.2-24.8000111.1
279M41.7Very low34.1Very low174 Ų174153.3 Ų153.386%0.85779%0.787SS**  trans-154.223.9178.4-150174.669.200114.7
280F33.3Very low34.3Very low196 Ų196153.6 Ų153.686%0.8679%0.794SS**SBendtrans-138144.2168.8-79.3-78.6000109.4
281N27.7Very low34.4Very low146 Ų146152 Ų15278%0.78180%0.796SS**  trans67.2140.2-163.1-115.1-10.4000111.9
282M30.9Very low34.1Very low150 Ų150152.6 Ų152.674%0.73980%0.797SS**  cis-137134.130.3-89.1-73.7-79.200115.2
283T38.6Very low33.7Very low105 Ų105157 Ų15764%0.64481%0.81SS**  trans49.3123.4151.316.30000123.1K285T283-K285 PolarHBondContact O-N 2.84Å
284L43.3Very low33.7Very low177 Ų177156.5 Ų156.593%0.92781%0.811SS**  trans-51.4114140.9-76.9154.6000112
285K33.2Very low33.9Very low201 Ų201162.7 Ų162.787%0.87482%0.824SS**  trans-159.2170.7150.5-133.1173.7-177.6179.20111.2T283T283-K285 PolarHBondContact O-N 2.84Å
286E36.2Very low33.4Very low155 Ų155159.9 Ų159.972%0.72482%0.82SS**SBendtrans75.183.5167.9-152.2113.4-137.900117.5
287M34.7Very low33.5Very low151 Ų151162.9 Ų162.974%0.74483%0.83SS**  trans60.6113.4145.5-61.2-170.2-93.500119.3
288K40.6Very low33.3Very low208 Ų208160.6 Ų160.690%0.90482%0.823SS**  61.37565.9-167.3-157.3172.9-175.60113
289K36.2Very low33Very low197 Ų197162.5 Ų162.586%0.85783%0.827SS**  trans-150.5130.6153.9-157.9168.7-175.4179.10109.3
290E31.4Very low32.3Very low186 Ų186159.8 Ų159.887%0.86983%0.825SS**PPolyproline II helixtrans-78.4139172.7-67.1-174.7135.300110.1
291P32.2Very low32Very low130 Ų130158.5 Ų158.584%0.84483%0.827SS**PPolyproline II helixtrans-80.2117.5161.3-8.426.7000109.6
292Q27.4Very low32.2Very low183 Ų183155.7 Ų155.786%0.85582%0.819SS**PPolyproline II helixtrans-76.7155.3173.3-173.4174.6-11.100110.9
293E37.1Very low32.2Very low186 Ų186155.5 Ų155.587%0.86982%0.816SS**PPolyproline II helixtrans-59.3133.2-175.3-55.6168.6120.900114
294I31.9Very low31.9Very low170 Ų170159.1 Ų159.187%0.87283%0.828SS**  trans-137.9146155.3-60.2-175.2000108.6
295Q30.1Very low31.3Very low190 Ų190156.7 Ų156.789%0.88882%0.815SS**  trans-79.5157-166.4-60.5160.3-25.900114.9
296S23.3Very low30.9Very low120 Ų120156.1 Ų156.184%0.83981%0.812SS**  trans-153.1162.7145.3-159.40000111.5
297C25.8Very low30.4Very low129 Ų129154.4 Ų154.487%0.87281%0.808SS**  trans-62.3161.9-166.4-49.30000115.7
298G27.6Very low30.3Very low61 Ų61156.8 Ų156.863%0.62982%0.815SS**  cis158.3134.1-7.400000113.7
299H30.6Very low30Very low197 Ų197154.8 Ų154.891%0.91281%0.806SS**  trans65.5125.6169.7-50.6122.7000121
300S27.2Very low30.2Very low118 Ų118152.1 Ų152.183%0.82580%0.801SS**  trans-152.3140.8139.246.80000108.7
301N26.7Very low30.5Very low168 Ų168152.3 Ų152.390%0.89880%0.802SS**  trans-69.1154.9-153.5-58-52.4000116.6
302S30.9Very low30.5Very low88 Ų88149.4 Ų149.462%0.61580%0.796SS**  trans-100.9164.8159.465.20000111.7
303E31.5Very low30.9Very low145 Ų145146.7 Ų146.768%0.67880%0.797SS**  trans50.689150.9-65.3148.7136.900118.8I305E303-I305 VanDerWaalsContact C-N 3.26Å; E303-I305 HydrophobicContact CB-CD1 4.07Å; E303-I305 HydrophobicContact CB-CG1 4.11Å; E303-I305 HydrophobicContact CG-CD1 4.1Å; E303-I305 HydrophobicContact CG-CG1 4.44Å; E303-I305 PolarHBondContact O-N 3.31Å; E303-I305 VanDerWaalsContact O-N 3.16Å
304M33Very low31Very low181 Ų181141.2 Ų141.289%0.89279%0.791SS**  trans-79.780.6146.3-73.1-146.6-62.900110
305I30.4Very low31.6Very low127 Ų127141.5 Ų141.565%0.65179%0.788SS**  trans-82.5125165.6-72.4167.6000108.3E303 D307E303-I305 VanDerWaalsContact C-N 3.26Å; E303-I305 HydrophobicContact CB-CD1 4.07Å; E303-I305 HydrophobicContact CB-CG1 4.11Å; E303-I305 HydrophobicContact CG-CD1 4.1Å; E303-I305 HydrophobicContact CG-CG1 4.44Å; E303-I305 PolarHBondContact O-N 3.31Å; E303-I305 VanDerWaalsContact O-N 3.16Å; I305-D307 PolarHBondContact O-N 2.86Å
306F24.4Very low32.6Very low188 Ų188138.6 Ų138.683%0.82578%0.777SS**  trans-7898.5169.2-81.5-87.9000109.9F308F306-F308 PolarHBondContact O-N 3.43Å
307D25.5Very low34.5Very low119 Ų119136.7 Ų136.764%0.63676%0.758SS**  trans-79.999174.5-176.221.2000110.5I305 K309I305-D307 PolarHBondContact O-N 2.86Å; D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 VanDerWaalsContact O-N 3.15Å; D307-K309 WeakPolarHBondContact OD2-CE 3.44Å
308F33.6Very low36.4Very low201 Ų201134.5 Ų134.588%0.88274%0.742SS**  trans-83.287.5178.8-132.3-75.1000110.4F306 D310F306-F308 PolarHBondContact O-N 3.43Å; F308-D310 PolarHBondContact O-N 3.16Å
309K33.3Very low37.8Very low167 Ų167138.4 Ų138.473%0.72674%0.744SS**  trans-74.7124.2174.1-81.6-176.8178.1170.10112.1D307 E311D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 VanDerWaalsContact O-N 3.15Å; D307-K309 WeakPolarHBondContact OD2-CE 3.44Å; K309-E311 PolarHBondContact O-N 3.43Å
310D40.4Very low39.7Very low141 Ų141133.4 Ų133.475%0.75472%0.723SS**  trans-73.798.1176.8177.921.8000111.3F308F308-D310 PolarHBondContact O-N 3.16Å
311E37Very low41.9Very low190 Ų190132.2 Ų132.289%0.88871%0.705SS**  trans-137.1132.8155.5-78.7-157.6127.400110.7K309K309-E311 PolarHBondContact O-N 3.43Å
312G33.7Very low43.8Very low68 Ų68131 Ų13170%0.70169%0.693SS**  trans83.749.2147.500000119.4
313S35.8Very low45.7Very low127 Ų127131.6 Ų131.689%0.88869%0.689SS**  trans26.7101.1145.260.90000119
314G38.6Very low47.7Very low71 Ų71130.9 Ų130.973%0.73268%0.684SS**  trans-166.4105.316900000114.2
315Q43.7Very low49.5Very low176 Ų176126 Ų12682%0.82266%0.662SS**  trans45.497.8165-65.6-99.597.800117
316I50.6Low51.6Low129 Ų129126.1 Ų126.166%0.66266%0.66SS**  trans-70.3131.6144.2-61.7175.3000106.2Q321I316-Q321 HydrophobicContact CG2-CB 4.41Å
317D63.7Low53.4Low79 Ų79122.6 Ų122.642%0.42265%0.649SS.*  trans-62.2127.4-179.2-178.226.7000111.5E319 L320 Q321D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.94Å; D317-L320 HydrophobicContact CB-CB 4.32Å; D317-L320 HydrophobicContact CB-CD1 4.18Å; D317-L320 HydrophobicContact CB-CG 4.49Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.16Å; D317-Q321 PolarHBondContact O-N 3.29Å; D317-Q321 VanDerWaalsContact O-N 3.11Å
318P66.5Low55.3Low83 Ų83122.1 Ų122.154%0.53965%0.65SS.*Hα-helixtrans-55.2-39.2-177.4-30.137.1000114.7L320 Q321 E322P318-L320 PolarHBondContact O-N 2.89Å; P318-Q321 PolarHBondContact O-N 3.25Å; P318-E322 WeakPolarHBondContact O-CB 3.26Å; P318-E322 PolarHBondContact O-N 2.66Å
319E55.7Low56.3Low143 Ų143119.5 Ų119.567%0.66864%0.638SS**Hα-helixtrans-64.8-40.4178.8-68.7-167.9103.600111.8D317 Q321 E322 L323D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.94Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.45Å; E319-E322 PolarHBondContact O-N 3.33Å; E319-L323 WeakPolarHBondContact O-CB 3.34Å; E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.85Å
320L72.3Confident56.8Low92 Ų92115.1 Ų115.148%0.48263%0.629SS.*Hα-helixtrans-65.2-37.2174.8-81.2170.9000112.3D317 P318 F324D317-L320 HydrophobicContact CB-CB 4.32Å; D317-L320 HydrophobicContact CB-CD1 4.18Å; D317-L320 HydrophobicContact CB-CG 4.49Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.16Å; P318-L320 PolarHBondContact O-N 2.89Å; L320-F324 VanDerWaalsContact O-CD2 3.23Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 3.5Å
321Q71.5Confident56.9Low93 Ų93113.6 Ų113.644%0.43562%0.624SS.*Hα-helixtrans-69.8-36.5176.8-173.456.685.700112.1I316 D317 P318 E319 D325I316-Q321 HydrophobicContact CG2-CB 4.41Å; D317-Q321 PolarHBondContact O-N 3.29Å; D317-Q321 VanDerWaalsContact O-N 3.11Å; P318-Q321 PolarHBondContact O-N 3.25Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.45Å; Q321-D325 PolarHBondContact O-N 2.9Å
322E68.4Low57.1Low142 Ų142109 Ų10966%0.66461%0.611SS**Hα-helixtrans-70-39.2176.3-164.8155.3-132.100111.6P318 E319 F324 D325 E326P318-E322 WeakPolarHBondContact O-CB 3.26Å; P318-E322 PolarHBondContact O-N 2.66Å; E319-E322 PolarHBondContact O-N 3.33Å; E322-F324 PolarHBondContact O-N 3.45Å; E322-D325 CarbonylContact O-C 3.55Å; E322-D325 WeakPolarHBondContact O-CB 3.4Å; E322-D325 PolarHBondContact O-N 2.88Å; E322-D325 VanDerWaalsContact O-N 3.14Å; E322-E326 PolarHBondContact O-N 2.65Å
323L69.8Low57.9Low102 Ų102111.9 Ų111.953%0.53462%0.618SS.*Hα-helixtrans-58.4-43.2172.5-85.1163.6000113.4E319 D325 E326 L327E319-L323 WeakPolarHBondContact O-CB 3.34Å; E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.85Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 2.73Å; L323-L327 WeakPolarHBondContact O-CB 3.48Å; L323-L327 PolarHBondContact O-N 3.34Å
324F73.6Confident58.3Low129 Ų129112.7 Ų112.757%0.56661%0.611SS**Hα-helixtrans-66.4-34.3175.4-84.5-64.4000112.4L320 E322 T328L320-F324 VanDerWaalsContact O-CD2 3.23Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 3.5Å; E322-F324 PolarHBondContact O-N 3.45Å; F324-T328 WeakPolarHBondContact O-CB 3.42Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.92Å
325D70.4Confident59.2Low78 Ų78115.2 Ų115.242%0.41761%0.608SS.*Hα-helixtrans-73.5-36.1178.4-124.948.1000111.4Q321 E322 L323 K329Q321-D325 PolarHBondContact O-N 2.9Å; E322-D325 CarbonylContact O-C 3.55Å; E322-D325 WeakPolarHBondContact O-CB 3.4Å; E322-D325 PolarHBondContact O-N 2.88Å; E322-D325 VanDerWaalsContact O-N 3.14Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 2.97Å; D325-K329 WeakPolarHBondContact O-CD 3.27Å; D325-K329 WeakPolarHBondContact O-CE 3.38Å; D325-K329 WeakPolarHBondContact O-CG 3.26Å; D325-K329 PolarHBondContact O-N 3.3Å; D325-K329 VanDerWaalsContact OD2-CE 3.27Å; D325-K329 WeakPolarHBondContact OD2-CE 3.36Å; D325-K329 IonicContact OD2-NZ 2.62Å; D325-K329 PolarHBondContact OD2-NZ 3.4Å
326E75.8Confident59.9Low131 Ų131113.4 Ų113.461%0.61260%0.604SS**Hα-helixtrans-68.7-47.7174-174.7167.2-160.200111.7E322 L323 T328 K329 S330E322-E326 PolarHBondContact O-N 2.65Å; L323-E326 PolarHBondContact O-N 2.73Å; E326-T328 PolarHBondContact O-N 3.37Å; E326-K329 PolarHBondContact O-N 2.86Å; E326-S330 PolarHBondContact O-N 3Å; E326-S330 PolarHBondContact O-OG 3.46Å
327L60.5Low60.5Low114 Ų114113.5 Ų113.560%0.59761%0.605SS**Hα-helixtrans-60.1-30.8177.4-169.568.2000112.6L323 S330L323-L327 WeakPolarHBondContact O-CB 3.48Å; L323-L327 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 2.91Å
328T66.4Low60.4Low108 Ų108115.8 Ų115.866%0.66361%0.613SS**Hα-helixtrans-80.6-24.6176.8-540000112.5F324 E326F324-T328 WeakPolarHBondContact O-CB 3.42Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.92Å; E326-T328 PolarHBondContact O-N 3.37Å
329K54.3Low60.5Low146 Ų146118.5 Ų118.564%0.63562%0.617SS**Hα-helixtrans-85.4-22.9177.1-71.9160.7-1611570113.2D325 E326 V331D325-K329 WeakPolarHBondContact O-CD 3.27Å; D325-K329 WeakPolarHBondContact O-CE 3.38Å; D325-K329 WeakPolarHBondContact O-CG 3.26Å; D325-K329 PolarHBondContact O-N 3.3Å; D325-K329 VanDerWaalsContact OD2-CE 3.27Å; D325-K329 WeakPolarHBondContact OD2-CE 3.36Å; D325-K329 IonicContact OD2-NZ 2.62Å; D325-K329 PolarHBondContact OD2-NZ 3.4Å; E326-K329 PolarHBondContact O-N 2.86Å; K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.49Å
330S43.6Very low60.7Low76 Ų76116.6 Ų116.653%0.53161%0.608SS.*SBendtrans-82.3-0.9-175.355.40000115.4E326 L327 P332E326-S330 PolarHBondContact O-N 3Å; E326-S330 PolarHBondContact O-OG 3.46Å; L327-S330 PolarHBondContact O-OG 2.91Å; S330-P332 WeakPolarHBondContact O-CD 3.48Å
331V42.2Very low60.1Low108 Ų108119.7 Ų119.766%0.65562%0.617SS**  trans-112.4100.5179.5-175.60000110.7K329K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.49Å
332P42.8Very low59.6Low95 Ų95120.6 Ų120.662%0.61762%0.624SS**  trans-64.3139.9169.2-18.431.6000110.5S330 L334S330-P332 WeakPolarHBondContact O-CD 3.48Å; P332-L334 PolarHBondContact O-N 3.39Å
333P50.1Low59.2Low128 Ų128120 Ų12083%0.83163%0.625SS**  trans-67.9102.9169.728.2-32.6000109N335P333-N335 PolarHBondContact O-N 2.92Å
334L43.3Very low58.5Low143 Ų143121.6 Ų121.675%0.74963%0.627SS**  trans-59.9130.4176.4-65.8175.1000109.7P332P332-L334 PolarHBondContact O-N 3.39Å
335N57.9Low57.2Low124 Ų124123.2 Ų123.266%0.66364%0.637SS**  trans-96.8124.2-173.4-166.514.3000109.4P333 L337 E338P333-N335 PolarHBondContact O-N 2.92Å; N335-L337 PolarHBondContact O-N 3.44Å; N335-E338 PolarHBondContact O-N 2.62Å
336D57.6Low56.3Low138 Ų138126.5 Ų126.574%0.73865%0.654SS**Hα-helixtrans-51.9-27.7-166.4-67.3-51000114.9E338 F339 E340D336-E338 PolarHBondContact O-N 3.38Å; D336-F339 PolarHBondContact O-N 3.49Å; D336-F339 VanDerWaalsContact O-N 3.12Å; D336-E340 PolarHBondContact O-N 3.28Å
337L64.8Low55Low132 Ų132127.8 Ų127.869%0.69167%0.665SS**Hα-helixtrans-59.7-23.9178.7-168.464.8000114.1N335N335-L337 PolarHBondContact O-N 3.44Å
338E61.6Low54.3Low126 Ų126127.8 Ų127.859%0.58967%0.67SS**Hα-helixtrans-80.3-36.3175.7-170.8158.6-133.800112N335 D336 E340 K341 I342N335-E338 PolarHBondContact O-N 2.62Å; D336-E338 PolarHBondContact O-N 3.38Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.08Å; E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.32Å; E338-I342 HydrophobicContact CG-CD1 4.4Å; E338-I342 WeakPolarHBondContact O-CG1 3.47Å; E338-I342 PolarHBondContact O-N 3.44Å; E338-I342 VanDerWaalsContact O-N 3.14Å
339F67.4Low52.8Low141 Ų141131.6 Ų131.662%0.61868%0.678SS**Hα-helixtrans-66.2-38.8176.6-139.6-92.3000111.6D336 K341 I342 L343D336-F339 PolarHBondContact O-N 3.49Å; D336-F339 VanDerWaalsContact O-N 3.12Å; F339-K341 PolarHBondContact O-N 3.42Å; F339-I342 PolarHBondContact O-N 3.1Å; F339-L343 HydrophobicContact CD1-CD1 3.79Å; F339-L343 HydrophobicContact CD1-CG 4.37Å; F339-L343 HydrophobicContact CE1-CD1 4.14Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 3.37Å; F339-L343 VanDerWaalsContact O-N 3.13Å
340E61Low52Low102 Ų102128.5 Ų128.548%0.47769%0.688SS.*Hα-helixtrans-64.5-25.2175-129.5-90.515100112.9D336 E338 K344D336-E340 PolarHBondContact O-N 3.28Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.08Å; E340-K344 WeakPolarHBondContact O-CD 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 WeakPolarHBondContact OE1-CE 3.44Å; E340-K344 IonicContact OE1-NZ 2.65Å; E340-K344 PolarHBondContact OE1-NZ 3.38Å; E340-K344 IonicContact OE2-NZ 2.66Å; E340-K344 PolarHBondContact OE2-NZ 3.06Å
341K59Low51.8Low157 Ų157132.3 Ų132.368%0.68370%0.701SS**Hα-helixtrans-78-47.7172.8-103.5-175.4174.5-176.20112.6E338 F339 L343 K344E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.32Å; F339-K341 PolarHBondContact O-N 3.42Å; K341-L343 VanDerWaalsContact C-N 3.28Å; K341-L343 PolarHBondContact O-N 2.82Å; K341-K344 PolarHBondContact O-N 3.2Å
342I62Low51.5Low113 Ų113133.7 Ų133.758%0.57971%0.705SS**Hα-helixtrans-60.4-41.5-178.6-66.3165.8000110.2E338 F339 K344 Q345E338-I342 HydrophobicContact CG-CD1 4.4Å; E338-I342 WeakPolarHBondContact O-CG1 3.47Å; E338-I342 PolarHBondContact O-N 3.44Å; E338-I342 VanDerWaalsContact O-N 3.14Å; F339-I342 PolarHBondContact O-N 3.1Å; I342-K344 PolarHBondContact O-N 3.37Å; I342-K344 VanDerWaalsContact O-N 3.13Å; I342-Q345 PolarHBondContact O-N 2.95Å
343L59.2Low51.1Low129 Ų129137 Ų13768%0.67572%0.717SS**THydrogen-bonded Turntrans-68.9-3.6177.2-72.2170.7000115.3F339 K341F339-L343 HydrophobicContact CD1-CD1 3.79Å; F339-L343 HydrophobicContact CD1-CG 4.37Å; F339-L343 HydrophobicContact CE1-CD1 4.14Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 3.37Å; F339-L343 VanDerWaalsContact O-N 3.13Å; K341-L343 VanDerWaalsContact C-N 3.28Å; K341-L343 PolarHBondContact O-N 2.82Å
344K54.2Low50.3Low136 Ų136133.5 Ų133.559%0.59170%0.703SS**THydrogen-bonded Turntrans-113.37.2-178.6-76.8179.7-178.8166.60114.7E340 K341 I342E340-K344 WeakPolarHBondContact O-CD 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 WeakPolarHBondContact OE1-CE 3.44Å; E340-K344 IonicContact OE1-NZ 2.65Å; E340-K344 PolarHBondContact OE1-NZ 3.38Å; E340-K344 IonicContact OE2-NZ 2.66Å; E340-K344 PolarHBondContact OE2-NZ 3.06Å; K341-K344 PolarHBondContact O-N 3.2Å; I342-K344 PolarHBondContact O-N 3.37Å; I342-K344 VanDerWaalsContact O-N 3.13Å
345Q48.3Very low49.7Very low163 Ų163138.2 Ų138.276%0.76271%0.711SS**SBendtrans-114.4-0.9-172.4-153.3171.6-1900114.8I342I342-Q345 PolarHBondContact O-N 2.95Å
346D50Low49Very low147 Ų147138.2 Ų138.279%0.78672%0.718SS**  trans-91.6-13.9-171.2-128-119000115T348D346-T348 PolarHBondContact O-N 2.92Å
347D48.5Very low47.6Very low157 Ų157139.4 Ų139.484%0.8472%0.724SS**THydrogen-bonded Turntrans-69.426.8-175.5-78.2-47.7000115.2
348T47.2Very low46Very low114 Ų114138.6 Ų138.670%0.69973%0.73SS**THydrogen-bonded Turntrans-135.53.3-172.3-56.60000115.2D346D346-T348 PolarHBondContact O-N 2.92Å
349F33.2Very low44.5Very low188 Ų188137.8 Ų137.883%0.82574%0.744SS**  trans-119.144.1173.1-76.6-74000114.8L351F349-L351 PolarHBondContact O-N 3.1Å
350G38.1Very low42.6Very low82 Ų82135 Ų13585%0.84576%0.755SS**  trans-71.484.8164.500000112.2D352G350-D352 PolarHBondContact O-N 3.07Å
351L39.9Very low41.1Very low155 Ų155134.9 Ų134.981%0.81277%0.772SS**  trans-75.4101.1174.3-92.2167.9000111.6F349F349-L351 PolarHBondContact O-N 3.1Å
352D35Very low39.5Very low138 Ų138132.4 Ų132.474%0.73878%0.781SS**  trans-69.5144.3162.9-176.821.2000110.8G350 G354G350-D352 PolarHBondContact O-N 3.07Å; D352-G354 PolarHBondContact OD1-N 3.04Å
353L35.8Very low38.1Very low165 Ų165131.6 Ų131.686%0.86479%0.791SS**  trans-145.539.9173-119162.8000111.4
354G31.3Very low36.6Very low53 Ų53131.7 Ų131.755%0.54680%0.797SS.*PPolyproline II helixtrans-56.7154.6167.300000113.8D352D352-G354 PolarHBondContact OD1-N 3.04Å
355R30.8Very low35.3Very low243 Ų243133.6 Ų133.692%0.91781%0.813SS**PPolyproline II helixtrans-73.8153.5178.5-88.5-177167.7-160.3-2.7112.3
356P44.7Very low34.1Very low124 Ų124131.3 Ų131.381%0.80581%0.814SS**PPolyproline II helixtrans-76.1142.3-171.730.8-36.6000113.6
357N26.9Very low33.2Very low162 Ų162128.7 Ų128.787%0.86681%0.807SS**  trans-155.7160143.8-139.60.8000111.7
358S31.4Very low32.9Very low115 Ų115127.3 Ų127.380%0.80481%0.807SS**  trans-93135.7-160.8-46.20000115.9
359A30.2Very low32.1Very low109 Ų109128.1 Ų128.190%0.90181%0.811SS**  trans-171.8156.6149.700000112.4
360G27.7Very low32Very low82 Ų82125 Ų12585%0.84580%0.803SS**  trans98.5147.9165.100000116
361A29Very low31.8Very low100 Ų100128.8 Ų128.883%0.82680%0.796SS**  trans-149.1158-175.300000113.1
362A27Very low31.1Very low105 Ų105126.4 Ų126.487%0.86879%0.788SS**  trans67.1157.2176.300000115.4
363A30.7Very low30.9Very low97 Ų97126.9 Ų126.980%0.80279%0.789SS**  cis-140.1164.79.400000114.1
364T28.6Very low30.5Very low131 Ų131127.3 Ų127.380%0.80478%0.784SS**  trans-57.5149.2170.4-33.30000113.2
365L27Very low30.5Very low176 Ų176129.2 Ų129.292%0.92179%0.785SS**  -170.4168.3126.2-102.6165.8000111.8
366C23.8Very low30.2Very low114 Ų114125 Ų12577%0.7778%0.776SS**  trans-127.6172.3-169.5-155.60000112.8
367S31.1Very low29.3Very low92 Ų92126.6 Ų126.664%0.64377%0.772SS**  trans-65.6162.2-176.254.90000116.1
368P42.5Very low29.4Very low129 Ų129123.8 Ų123.884%0.83877%0.765SS**  trans-108.2167.5141.736.1-29.2000113
369V29.7Very low29.3Very low130 Ų130127.1 Ų127.179%0.78877%0.768SS**  trans-131.9150.1-169.2159.50000111
370D29.9Very low29.1Very low123 Ų123128.6 Ų128.666%0.65876%0.761SS**  trans-174.3163.4162.7-109.125.1000108
371K34.2Very low29.2Very low161 Ų161134.3 Ų134.370%0.776%0.762SS**  cis-172.9155.3-23.1-110.1-168.2-166.876.80106.2
372V26.1Very low29.1Very low106 Ų106132.2 Ų132.264%0.64275%0.751SS**  cis-168.1143.9-1478.50000110.1
373I30.3Very low29.2Very low147 Ų147137.2 Ų137.275%0.75476%0.756SS**  trans66.7140.8158.8-75.4159.1000116.7
374K27Very low29Very low174 Ų174136.4 Ų136.476%0.75776%0.758SS**  cis-153.8153.727.4-146.7162.1177.9-173.70112.1
375T31.1Very low29Very low94 Ų94138.7 Ų138.758%0.57776%0.759SS**  trans22.1142.5144.465.70000120.3
376E25.6Very low29.1Very low155 Ų155137.8 Ų137.872%0.72476%0.755SS**  cis-165.8176.613.5-137.772.1105.100107.4
377H26.6Very low29.3Very low157 Ų157136 Ų13673%0.72776%0.755SS**  cis-153.4-1790.3-16462.3000108.9
378S27.9Very low29.4Very low102 Ų102137 Ų13771%0.71376%0.762SS**  trans-131.9147.4174-59.30000112.2
379Q30.6Very low29.4Very low186 Ų186137 Ų13787%0.86976%0.762SS**  trans-146.3126.9151.1-147.9160.710.300111.5
380D25.3Very low29.6Very low140 Ų140138.2 Ų138.275%0.74976%0.76SS**  trans-116.8141.7-175.4177.65.8000108.2
381F29.6Very low29.9Very low201 Ų201140.7 Ų140.788%0.88277%0.772SS**  trans-162.3131.1157.7-104.9-69.4000110
382G27.4Very low29.8Very low56 Ų56143.3 Ų143.358%0.57778%0.777SS**  trans-133.3-148.2-179.700000113.9
383Q27.5Very low30.9Very low210 Ų210144.2 Ų144.298%0.98179%0.785SS**  trans85.7138.3-174.4-54.3-169.9-35.700116.6
384G26.9Very low30.8Very low81 Ų81141 Ų14184%0.83578%0.781SS**  trans156.890179.800000111.3
385H29.3Very low31Very low178 Ų178138.4 Ų138.482%0.82478%0.784SS**  trans-100170.3-172.6-123.4-106000112.9
386N28.6Very low31.1Very low157 Ų157138.9 Ų138.984%0.8480%0.798SS**  trans81143.8173-43.8-34.6000115.4
387G29.2Very low31.4Very low76 Ų76135 Ų13578%0.78480%0.799SS**  cis-174.1162.7-4.700000111.7
388S32.2Very low32.5Very low113 Ų113133.7 Ų133.779%0.7981%0.805SS**  trans-87.8154.8176.8-157.60000111
389P43.5Very low32.8Very low129 Ų129134 Ų13484%0.83881%0.807SS**  -145.1168.29138.4-22.4000116.7
390Q32.9Very low32.8Very low157 Ų157134.7 Ų134.773%0.73481%0.807SS**  trans-90.8142.4178.5156.8-164.4-39.600112.6
391L35.7Very low33.1Very low175 Ų175134.2 Ų134.292%0.91681%0.81SS**  trans-139.9151.7151.8-76.5-178.4000112.7
392R33Very low33.1Very low216 Ų216133.1 Ų133.182%0.81581%0.813SS**  trans-130.2173.5171.6-95.1-177.7176.9143.9-1.6106.5
393P47.9Very low33.2Very low124 Ų124138 Ų13881%0.80583%0.825SS**  cis-133.4-154.319.534.1-10.2000112.5
394A28.8Very low33.4Very low81 Ų81132.7 Ų132.767%0.66981%0.811SS**  -164.6173-6300000110.6
395S31.7Very low33.5Very low118 Ų118135.3 Ų135.383%0.82581%0.811SS**  trans83.4135.9153-55.80000122.4
396A32.7Very low33.5Very low105 Ų105131.2 Ų131.287%0.86881%0.808SS**  trans72.8137148.100000122.2
397G32Very low33.5Very low72 Ų72128.6 Ų128.674%0.74280%0.802SS**  trans-112.8-143.7158.500000109.9
398P49.8Very low33.4Very low130 Ų130131.3 Ų131.384%0.84480%0.804SS**  cis-136-1698.443.5-25000115.7
399S33.6Very low33.1Very low109 Ų109133.9 Ų133.976%0.76281%0.808SS**  trans-50.2156.1-175-36.60000120.2
400F32.1Very low32.3Very low200 Ų200132.9 Ų132.988%0.87780%0.8SS**  -155.6160.612143.3-105.4000112.8
401T30.5Very low32.2Very low131 Ų131131 Ų13180%0.80480%0.804SS**  trans-109.2158.8-178.942.40000112
402L30.5Very low32.1Very low178 Ų178130.9 Ų130.993%0.93280%0.799SS**  trans-131.4151.4161.8-78.5176.8000110
403N29.3Very low31.7Very low158 Ų158130.9 Ų130.985%0.84581%0.805SS**  trans-94.4158.7-172.6-166.425.3000112.7
404S31.9Very low30.7Very low98 Ų98128.1 Ų128.169%0.68580%0.799SS**  trans-69147.3-174-55.30000114.9
405T29.1Very low30.7Very low137 Ų137132.4 Ų132.484%0.8481%0.811SS**  -164.9142.5121.36.20000112.9
406A29.3Very low30.6Very low91 Ų91130.2 Ų130.275%0.75280%0.8SS**  trans39.4139.1146.400000121.4
407S28.2Very low30.4Very low102 Ų102134 Ų13471%0.71380%0.8SS**  cis-171.3173-3.2-1100000111.6
408T25.9Very low30.2Very low133 Ų133136.2 Ų136.282%0.81680%0.804SS**  trans59.7123.9163.149.70000119.3
409N26Very low29.2Very low167 Ų167133.7 Ų133.789%0.89380%0.802SS**  trans-131.2126.4153.9-155.36.2000107.7
410T28.5Very low29Very low108 Ų108137.1 Ų137.166%0.66381%0.805SS**  trans-113.3140.8-177.549.30000110.9
411S28.9Very low28.7Very low117 Ų117133.7 Ų133.782%0.81881%0.806SS**  trans-86.5113148.1-64.70000106
412Q34.2Very low28.9Very low173 Ų173138.9 Ų138.981%0.80881%0.811SS**  53.4107.479.9-59.6-173.65.200109.8
413K25.1Very low28.8Very low216 Ų216135.1 Ų135.194%0.93981%0.805SS**  -163.2135.959170.9-169.4-177-175.10109.6
414G26.8Very low28.9Very low67 Ų67135.9 Ų135.969%0.69181%0.806SS**  cis168167.1-7.800000112.5
415N28.7Very low29.3Very low171 Ų171136.5 Ų136.591%0.91481%0.808SS**  trans91.8144.6169-155.728.5000120.4
416A29.5Very low29.3Very low72 Ų72136 Ų13660%0.59581%0.808SS**  trans68.996.7158.900000123.3
417Q28.2Very low29.5Very low185 Ų185142.8 Ų142.886%0.86481%0.814SS**  trans64.5117.6132.2-67.9179.8-86.200124.5
418S27.8Very low30.6Very low118 Ų118143.2 Ų143.283%0.82582%0.815SS**  trans63.7105.614061.20000121.7
419G28.6Very low31.1Very low77 Ų77146.2 Ų146.279%0.79482%0.82SS**  trans-163.4141.4158.200000110.1
420H29.7Very low32.7Very low180 Ų180143.9 Ų143.983%0.83381%0.806SS**  trans-104.3133.4-175.9-77.564.7000112.3
421S26.6Very low33.7Very low129 Ų129142.5 Ų142.590%0.90280%0.801SS**  trans-133.4133.4161.5-71.50000109.5
422R33.8Very low35.5Very low239 Ų239143.6 Ų143.690%0.90279%0.793SS**  trans-104.5127.1-178.7-58.5-176.9-171.7-157.61.1110.4
423A29.2Very low37Very low99 Ų99138.6 Ų138.682%0.81878%0.781SS**PPolyproline II helixtrans-87.4144159.200000109.4
424M31.9Very low39Very low175 Ų175134.9 Ų134.986%0.86277%0.767SS**PPolyproline II helixtrans-89.8148.6173.1-77.9-70.4-71.900110.7
425P39.4Very low41.3Very low110 Ų110136.5 Ų136.571%0.71476%0.756SS**PPolyproline II helixtrans-71.6146.3-179.7-15.230.5000112.7
426C29.7Very low43.5Very low126 Ų126133.4 Ų133.485%0.85174%0.739SS**PPolyproline II helixtrans-75.6152.8161.5-162.80000110.2
427W32.9Very low45.3Very low234 Ų234137.8 Ų137.889%0.88675%0.745SS**PPolyproline II helixtrans-76.1148.8-177.7-74.677.9000112.3E429W427-E429 PolarHBondContact O-N 3.01Å
428P50.8Low47.2Very low111 Ų111135.9 Ų135.972%0.72174%0.736SS**PPolyproline II helixtrans-68.2117.8172.4-17.932000111.6I430P428-I430 PolarHBondContact O-N 3.31Å
429E37.7Very low48.9Very low196 Ų196136.4 Ų136.492%0.91673%0.727SS**  trans-73.8109.2177-169.1-179.9169.900110.7W427 S431W427-E429 PolarHBondContact O-N 3.01Å; E429-S431 PolarHBondContact O-N 2.92Å
430I59.7Low50.1Low118 Ų118136.5 Ų136.561%0.60572%0.721SS**  trans-81.5118.2-179.4-66.8164.6000109.4P428 H432P428-I430 PolarHBondContact O-N 3.31Å; I430-H432 PolarHBondContact O-N 2.86Å
431S49.5Very low51.1Low80 Ų80131.8 Ų131.856%0.55971%0.713SS**  trans-59.3130.6177-173.60000111.7E429 A433 Q434E429-S431 PolarHBondContact O-N 2.92Å; S431-A433 PolarHBondContact O-N 3.46Å; S431-Q434 VanDerWaalsContact O-CB 3.32Å; S431-Q434 WeakPolarHBondContact O-CB 3.33Å; S431-Q434 PolarHBondContact O-N 3.28Å
432H65.1Low52.3Low140 Ų140132.5 Ų132.565%0.64871%0.707SS**Hα-helixtrans-51.7-31.7-176.8-172.7-105.3000114.2I430 Q434I430-H432 PolarHBondContact O-N 2.86Å; H432-Q434 VanDerWaalsContact C-N 3.27Å; H432-Q434 PolarHBondContact O-N 3.17Å
433A66.6Low53.6Low68 Ų68129.5 Ų129.556%0.56270%0.703SS**Hα-helixtrans-69.4-20.6176.600000114.1S431S431-A433 PolarHBondContact O-N 3.46Å
434Q66.2Low54.5Low137 Ų137132.8 Ų132.864%0.6470%0.701SS**Hα-helixtrans-87.9-36.8-178.2-161.3148.8-41.600111.6S431 H432 L436 K437 Q438S431-Q434 VanDerWaalsContact O-CB 3.32Å; S431-Q434 WeakPolarHBondContact O-CB 3.33Å; S431-Q434 PolarHBondContact O-N 3.28Å; H432-Q434 VanDerWaalsContact C-N 3.27Å; H432-Q434 PolarHBondContact O-N 3.17Å; Q434-L436 PolarHBondContact O-N 3.48Å; Q434-K437 PolarHBondContact O-N 2.86Å; Q434-Q438 PolarHBondContact O-N 2.8Å; Q434-Q438 VanDerWaalsContact O-N 3.16Å
435Q75.3Confident55.1Low101 Ų101132.2 Ų132.247%0.47270%0.696SS.*Hα-helixtrans-59.9-43.4173.7-169.9175.97.500112K437 Q438 M439Q435-K437 PolarHBondContact O-N 3.25Å; Q435-Q438 PolarHBondContact O-N 3.09Å; Q435-M439 PolarHBondContact O-N 3.23Å
436L75.8Confident55.9Low106 Ų106132.8 Ų132.856%0.55570%0.7SS**Hα-helixtrans-63.3-36.4175.8-77.9162.9000113.3Q434 Q438 A440Q434-L436 PolarHBondContact O-N 3.48Å; L436-Q438 VanDerWaalsContact C-N 3.33Å; L436-A440 PolarHBondContact O-N 3.42Å
437K67.1Low56.3Low164 Ų164130.7 Ų130.771%0.71370%0.699SS**Hα-helixtrans-68.1-31.9174.6-82.1-177.4174178.60112.8Q434 Q435 A440 A441Q434-K437 PolarHBondContact O-N 2.86Å; Q435-K437 PolarHBondContact O-N 3.25Å; K437-A440 PolarHBondContact O-N 2.84Å; K437-A441 PolarHBondContact O-N 3.18Å
438Q68.9Low56.4Low145 Ų145124.1 Ų124.168%0.67870%0.695SS**Hα-helixtrans-72.4-31.5-178.5-161.9165.98.300112.6Q434 Q435 L436Q434-Q438 PolarHBondContact O-N 2.8Å; Q434-Q438 VanDerWaalsContact O-N 3.16Å; Q435-Q438 PolarHBondContact O-N 3.09Å; L436-Q438 VanDerWaalsContact C-N 3.33Å
439M62.2Low55.8Low129 Ų129126.7 Ų126.764%0.63570%0.702SS**Hα-helixtrans-68.7-41170.5-63.9-178.8-176.100112.2Q435 A441 N442Q435-M439 PolarHBondContact O-N 3.23Å; M439-A441 VanDerWaalsContact C-N 3.28Å; M439-A441 PolarHBondContact O-N 2.89Å; M439-N442 PolarHBondContact O-N 3Å
440A54.8Low55.8Low80 Ų80124.2 Ų124.266%0.66169%0.694SS**Hα-helixtrans-67.4-25.7-179.100000113.8L436 K437 N442L436-A440 PolarHBondContact O-N 3.42Å; K437-A440 PolarHBondContact O-N 2.84Å; A440-N442 VanDerWaalsContact C-N 3.31Å; A440-N442 PolarHBondContact O-N 3.3Å
441A50.1Low54.6Low81 Ų81126.1 Ų126.167%0.66970%0.7SS**THydrogen-bonded Turntrans-76.9-10.3-17800000114.7K437 M439K437-A441 PolarHBondContact O-N 3.18Å; M439-A441 VanDerWaalsContact C-N 3.28Å; M439-A441 PolarHBondContact O-N 2.89Å
442N51.5Low53.9Low144 Ų144129.4 Ų129.477%0.7771%0.707SS**THydrogen-bonded Turntrans-110.928.5-166.5-151.814.7000114.4M439 A440M439-N442 PolarHBondContact O-N 3Å; A440-N442 VanDerWaalsContact C-N 3.31Å; A440-N442 PolarHBondContact O-N 3.3Å
443Q60.8Low52.2Low176 Ų176129.8 Ų129.882%0.82271%0.708SS**SBendtrans-129.117-176.2-83.4-122.737.300114.3
444Q48.3Very low50.5Low167 Ų167134 Ų13478%0.7872%0.716SS**  trans-150.3128.6-179.4-68.8-169.521.700109.8
445Q45.3Very low48.7Very low164 Ų164135.1 Ų135.177%0.76672%0.721SS**  cis-141.8-138.8-7-64.1-160.98.100110.7
446P55.3Low46.4Very low122 Ų122135.3 Ų135.379%0.79273%0.73SS**  -115.2177-9532.9-15.1000114.5
447G39.1Very low44.1Very low81 Ų81138.5 Ų138.584%0.83574%0.742SS**  trans-110157.9-172.300000117.9
448A35Very low42.2Very low96 Ų96138.3 Ų138.379%0.79374%0.743SS**  trans-164.5154.7167.200000107
449L38.3Very low40.2Very low166 Ų166137 Ų13787%0.86974%0.744SS**  cis-151.7-179.53.8-126.1166.6000109.9
450L36.5Very low38.7Very low144 Ų144134 Ų13475%0.75475%0.747SS**  trans-86143.1-166.8-59162.6000115.7
451H35.6Very low37.4Very low158 Ų158137.8 Ų137.873%0.73175%0.753SS**  178137117.1-107.362.9000117.1
452H34.3Very low36.4Very low149 Ų149140 Ų14069%0.6976%0.758SS**  trans57.3165.8147.2-84.547.2000120.6
453Q28.6Very low35.2Very low147 Ų147137 Ų13769%0.68776%0.761SS**  cis-174.1136.4-35.4-176-161.214.900109.5
454H31.3Very low33.5Very low158 Ų158139.8 Ų139.873%0.73176%0.764SS**  trans62.1169.3166.3-108.921.8000116.1
455Q29Very low32.3Very low159 Ų159138.1 Ų138.174%0.74377%0.765SS**  cis-145.4-159.31.9-152.4157.6-0.900110.9
456T27.2Very low31.7Very low106 Ų106134.9 Ų134.965%0.6577%0.767SS**  trans-114.5173.2-165.4530000115
457Q26.8Very low30.3Very low173 Ų173136.1 Ų136.181%0.80877%0.772SS**  trans74.9156.1149.8-86.2177.747.300117.4
458H27.2Very low29.7Very low160 Ų160140.9 Ų140.974%0.74178%0.775SS**  cis-162.7155-16.1-161.6-134.7000110.7
459V28.1Very low29.7Very low116 Ų116142.2 Ų142.270%0.70378%0.777SS**  trans22.8137.3151.5172.60000122.6
460G29Very low29.2Very low66 Ų66140.3 Ų140.368%0.6877%0.774SS**  trans149.481.8150.900000114.5
461M27.7Very low28.9Very low160 Ų160142 Ų14279%0.78878%0.779SS**  84.212687.8-88.6-172.66400117.3
462T29.9Very low29.1Very low129 Ų129139.6 Ų139.679%0.79178%0.777SS**  trans58.6127.8151.355.30000121.3
463G26.4Very low28.9Very low79 Ų79138.2 Ų138.281%0.81478%0.779SS**  trans160.386.3158.900000117.8
464W23.9Very low28.9Very low236 Ų236136.7 Ų136.789%0.89478%0.78SS**  trans-38.9144.5176.4-75.365.7000120
465T24.9Very low28.8Very low132 Ų132134.6 Ų134.681%0.8178%0.783SS**  trans72.7152.4146.7480000121.4
466A32Very low28.7Very low96 Ų96131.3 Ų131.379%0.79378%0.778SS**  trans-99.1157.1-170.300000114.1
467T26Very low28.7Very low148 Ų148135.9 Ų135.991%0.90879%0.789SS**  trans-144.8154.7165.4-51.70000109.6
468M25.6Very low28.9Very low180 Ų180131.6 Ų131.689%0.88778%0.783SS**PPolyproline II helixtrans-78.9168.7-169.4-68.7-69.9-178.200114.6
469C35.3Very low28.9Very low124 Ų124133.7 Ų133.784%0.83879%0.79SS**PPolyproline II helixtrans-57151.2170-64.90000113.5
470P28.4Very low29.1Very low126 Ų126132.6 Ų132.682%0.81879%0.793SS**PPolyproline II helixtrans-98.4120.5153.332-23.3000112.1
471Q30.3Very low29Very low180 Ų180138.8 Ų138.884%0.84180%0.801SS**PPolyproline II helixtrans-60.8168.6147.5-115.7-176.6-1.400109.7
472P39.5Very low29.2Very low107 Ų107137.4 Ų137.470%0.69580%0.802SS**  -152.7-158.454.646.4-24.6000113.5
473T30.6Very low29Very low121 Ų121136.9 Ų136.974%0.74280%0.803SS**  cis-148.5170.8210.90000106.2
474T27.8Very low29.2Very low114 Ų114139.4 Ų139.470%0.69980%0.798SS**  cis-159.7144.539.444.10000112.2
475S28.7Very low29.7Very low114 Ų114136.5 Ų136.580%0.79779%0.794SS**  trans51.1143144.461.30000122.3
476S28.5Very low30Very low91 Ų91134 Ų13464%0.63679%0.787SS**  cis-166.6129.58141.70000113.6
477F26.2Very low29.9Very low202 Ų202135.9 Ų135.989%0.88679%0.789SS**  trans57.5140.6149.3-69.1-118.5000120
478A31.4Very low30.1Very low83 Ų83136.9 Ų136.969%0.68679%0.788SS**  cis-167.7-172.1-1900000106.3
479K26.9Very low30.2Very low204 Ų204134.2 Ų134.289%0.88778%0.777SS**  cis-161.8171.38.9-102160.3-175.6172.80105
480A31.9Very low29.9Very low92 Ų92135.9 Ų135.976%0.7677%0.773SS**  cis-177.4169.7-29.600000109.2
481K27.2Very low30Very low196 Ų196137.5 Ų137.585%0.85277%0.769SS**  trans79.698.1167.9-142.3168.5-172178.70116.6
482V31.5Very low29.9Very low132 Ų132137.4 Ų137.480%0.877%0.766SS**  77.7132.376.7166.40000112.4
483S26.5Very low29.1Very low117 Ų117140.8 Ų140.882%0.81878%0.775SS**  cis-140.8-148.641.1-156.10000117.1
484N30Very low28.8Very low132 Ų132138.9 Ų138.971%0.70678%0.779SS**  trans-162.3171.1-148.7-162.82000115.5
485Q33.7Very low28.8Very low175 Ų175138.5 Ų138.582%0.81878%0.781SS**  trans65170.2157.7-87.6174.6-2.200120.1
486A31.1Very low28.8Very low80 Ų80140.7 Ų140.766%0.66178%0.779SS**  cis-160.6168.2-11.200000108.6
487T31.5Very low28.7Very low135 Ų135143.1 Ų143.183%0.82878%0.784SS**  cis112.796.72.5-54.50000116.3
488L29.9Very low28.9Very low169 Ų169143.1 Ų143.189%0.88578%0.784SS**  trans-163.5168.5166-150.968.9000114.9
489N27.4Very low28.8Very low124 Ų124142.4 Ų142.466%0.66378%0.784SS**  -167.8175.9-74.8-165.55.3000112.1
490Q29.3Very low28.8Very low160 Ų160140.8 Ų140.875%0.74878%0.784SS**  trans86.5137.5163.5-52.5-170.7102.500118.2
491Q29.4Very low28.6Very low159 Ų159140.7 Ų140.774%0.74378%0.777SS**  cis102.3128.39.9-66.4-164.1-2.300118.5
492K28.2Very low28.6Very low178 Ų178138.1 Ų138.177%0.77477%0.773SS**  119.3121.6122.9-156.7160.9-177.7176.50120.9
493M23.9Very low28.4Very low179 Ų179136.1 Ų136.188%0.88276%0.764SS**  trans60.3145.7148-68.9-89.1-80.500122.3
494G24.4Very low28.6Very low81 Ų81136 Ų13684%0.83575%0.754SS**  trans152125.7156.700000114.9
495S28.1Very low28.6Very low106 Ų106138 Ų13874%0.74176%0.756SS**  trans-137130.1170.5173.80000109.6
496H27.6Very low28.3Very low160 Ų160136.3 Ų136.374%0.74175%0.746SS**  174.9144.6129.6-110.3-91.5000114.5
497N25.8Very low28.2Very low141 Ų141139.4 Ų139.475%0.75475%0.747SS**  trans67.8161.6145.8-90.2-39.7000123.6
498K31.6Very low27.9Very low203 Ų203138.8 Ų138.888%0.88373%0.734SS**  trans-83.6143.1180-51.8159.7-176.1172.30110.1
499G28.2Very low27.6Very low67 Ų67139.4 Ų139.469%0.69173%0.725SS**  trans-175.694.1173.900000115.6S501G499-S501 PolarHBondContact O-N 2.93Å
500I28.8Very low27.8Very low171 Ų171137.7 Ų137.788%0.87772%0.723SS**  trans15.898.5133.8-55.9164.2000113.6
501S25.9Very low27.7Very low89 Ų89137 Ų13762%0.62272%0.719SS**  83.8153.277.5-170.10000114.3G499G499-S501 PolarHBondContact O-N 2.93Å
502N28.5Very low27.8Very low142 Ų142137.3 Ų137.376%0.75972%0.718SS**  trans72.4151.4162.5-76.7-14.1000117.3
503C27.4Very low27.6Very low91 Ų91135.7 Ų135.762%0.61571%0.714SS**  cis-160.4177.15.2-133.10000114.3
504L31.1Very low27.8Very low115 Ų115131.3 Ų131.360%0.60271%0.706SS**  trans72.5141.3148.7-103.750.7000117.9
505F28.9Very low27.8Very low172 Ų172134.6 Ų134.675%0.75470%0.699SS**  cis-115.4145.9-0.8-84.8-106.2000109.8
506K27.3Very low27.8Very low140 Ų140135.8 Ų135.861%0.60970%0.702SS**  cis75.113141-165.6-173.9-178.3-178.70110.9
507H29.7Very low27.7Very low145 Ų145131.9 Ų131.967%0.67170%0.697SS**  cis-136.6-149.68.7-131.5-169.5000106.7
508E24.1Very low27.8Very low122 Ų122133.1 Ų133.157%0.5770%0.703SS**  cis-162.5162.5-9.5-105.3-127176.900104.6
509R25.1Very low27.6Very low182 Ų182131.7 Ų131.769%0.68770%0.699SS**  cis-160.4171.5-2.8-153.4-170-175.393.3-1108.2
510S30.7Very low28Very low88 Ų88133.2 Ų133.262%0.61570%0.697SS**  trans69.3151.5147.9-67.20000121.3
511Q28Very low28Very low146 Ų146133.4 Ų133.468%0.68269%0.694SS**  cis-169.7167.3-34.9-134.8173.6-5.300109.4
512F30.2Very low27.9Very low165 Ų165134.8 Ų134.872%0.72470%0.704SS**  trans67.5127.5175-66-72.4000114.9
513Q24.1Very low27.8Very low144 Ų144137 Ų13767%0.67371%0.707SS**  cis67.3108.227.1-151.3-177.537.300111.8
514A28.3Very low27.7Very low87 Ų87136.8 Ų136.872%0.71971%0.707SS**  -138161.754.900000111.4
515H24.5Very low27.4Very low150 Ų150139.4 Ų139.469%0.69471%0.714SS**  cis53.7123.849.7-48-42.8000110.9
516V27.9Very low27.2Very low132 Ų132138.6 Ų138.680%0.871%0.712SS**  cis-125.6124.447.6-178.40000107.6
517A25.3Very low26.9Very low78 Ų78140 Ų14065%0.64572%0.721SS**  55.1140.688.100000113.5
518L28.3Very low26.6Very low167 Ų167136.9 Ų136.987%0.87471%0.712SS**  cis-14314236.6-88.7159.1000114.4
519Q26.4Very low26.7Very low172 Ų172138.2 Ų138.280%0.80472%0.723SS**  trans-78.3168.8141.3-110.7-164.110.700108.9
520P36.5Very low26.7Very low99 Ų99132.9 Ų132.964%0.64371%0.714SS**  cis-132.6-155.3-2139.4-21000110.4
521Q29.4Very low26.9Very low175 Ų175138.1 Ų138.182%0.81873%0.731SS**  trans4116.5152.8-64.7177.6-8.200118.5
522S23.4Very low26.8Very low119 Ų119136.9 Ų136.983%0.83273%0.734SS**  -134.4140.9126.457.10000109.6
523F27.5Very low26.9Very low187 Ų187138.1 Ų138.182%0.8274%0.739SS**  trans-74.4159.1174.1-100.1-102.8000110.6
524S25.8Very low27.3Very low87 Ų87136 Ų13661%0.60874%0.736SS**  trans82.4126.5140-79.80000122.2
525F24Very low27.3Very low170 Ų170139.1 Ų139.175%0.74674%0.735SS**  88.5132.5129.5-79.3-50.1000121.7
526H23.7Very low27.5Very low156 Ų156139.3 Ų139.372%0.72274%0.737SS**  trans67154.8167.8-52-53.3000114.7
527Q22.3Very low27.6Very low169 Ų169140.7 Ų140.779%0.7973%0.734SS**  cis-112.7143.411.8-87.3-174.8-7.900112.2
528T22.3Very low27.8Very low80 Ų80144 Ų14449%0.49174%0.736SS.*  47.6129.783790000112.4
529N27.2Very low27.8Very low150 Ų150144.2 Ų144.280%0.80273%0.733SS**  -124.3114.165-73-31.5000115.6
530S24.6Very low27.6Very low70 Ų70141.1 Ų141.149%0.4973%0.73SS.*  trans-55.1150.5131.944.60000110.4T532S530-T532 PolarHBondContact O-N 3.39Å; S530-T532 VanDerWaalsContact O-N 3.12Å
531M34.6Very low28Very low197 Ų197142 Ų14297%0.9774%0.736SS**  trans-64.4110.5161.9-79.8-173.8173.700109.7
532T27.2Very low27.9Very low121 Ų121138.7 Ų138.774%0.74273%0.732SS**  trans-140.9112.4162.143.70000109.8S530S530-T532 PolarHBondContact O-N 3.39Å; S530-T532 VanDerWaalsContact O-N 3.12Å
533K30.8Very low29.1Very low190 Ų190138.1 Ų138.183%0.82673%0.725SS**  trans-94.2157.2161.9-168.5-166.7175.4-167.30107.9
534T33Very low28.9Very low101 Ų101134.2 Ų134.262%0.6272%0.721SS**  trans76.295.3160.29.50000117.6
535E28.4Very low29Very low151 Ų151137.4 Ų137.471%0.70673%0.726SS**  63.8119.9120.6-67.6-176.582.500124
536Q29.2Very low29.3Very low154 Ų154135.2 Ų135.272%0.7272%0.722SS**  trans66.9132.3134.8-57.1-164.542.600122.8
537H29.6Very low29.5Very low161 Ų161136.2 Ų136.275%0.74573%0.727SS**  trans25.5139.1147.5-69105.9000120.4
538Q28.9Very low29.7Very low149 Ų149132.4 Ų132.470%0.69673%0.725SS**  cis-170.4149.947.9-162.6138.761.700114.2
539Q29.5Very low30.2Very low171 Ų171137.1 Ų137.180%0.79974%0.741SS**  trans54.1135.9151.2-75.1163.72.600124.9
540S22.2Very low30.2Very low106 Ų106135.8 Ų135.874%0.74174%0.743SS**  trans-72.8-174.7167.456.40000115
541P45.5Very low30.3Very low119 Ų119136.4 Ų136.477%0.77375%0.753SS**  cis-137.1-160.12.833.6-8.2000116
542S26.5Very low30Very low105 Ų105134.8 Ų134.873%0.73475%0.748SS**  trans-74.7-171.9175.159.70000114.8
543P48.1Very low30.2Very low106 Ų106136.2 Ų136.269%0.68875%0.746SS**  cis-146.7-157.610.743.1-19.7000117
544S23.9Very low30Very low105 Ų105135.2 Ų135.273%0.73474%0.741SS**  trans73.1167.7151.2870000119.3
545Q28.2Very low29.7Very low154 Ų154137.6 Ų137.672%0.7275%0.746SS**  cis-162.7160.8-8.4-138.5-179.96.600111.9
546N29.1Very low29.8Very low124 Ų124137 Ų13766%0.66375%0.747SS**  trans59.8176.8150.4-69.3-17.9000120.5
547Q27.8Very low30Very low177 Ų177137.4 Ų137.483%0.82775%0.749SS**  cis-167.9166.6-49.1-167.7179.23500109.5
548A27.9Very low29.9Very low89 Ų89138.4 Ų138.474%0.73675%0.754SS**  trans90.2167156.500000119.8
549H32.5Very low29.9Very low179 Ų179138.5 Ų138.583%0.82976%0.758SS**  trans-131.7175-162.5-70.8-102.4000112.6
550S27.6Very low29.9Very low122 Ų122135.4 Ų135.485%0.85376%0.755SS**  trans80.5150.3162.2-56.90000116.9
551A26.8Very low30.4Very low84 Ų84136.6 Ų136.669%0.69476%0.758SS**  cis-169.5-176.9-18.300000110.5
552L27.6Very low29.8Very low163 Ų163136.1 Ų136.185%0.85376%0.757SS**  trans78.1106.7160.2-53.1-178.7000120.9
553H30.5Very low30.1Very low151 Ų151135.2 Ų135.270%0.69977%0.765SS**  30.3162.9114.7-150.8-99.5000123.4
554F27.6Very low29.2Very low168 Ų168133.9 Ų133.974%0.73777%0.77SS**  trans80.8163.7177.4-67.2-94.9000117
555Q26.1Very low29.6Very low152 Ų152135.5 Ų135.571%0.7178%0.775SS**  cis-171.5132-47.9176.3163.8-42.100109.9
556N31.4Very low29.5Very low138 Ų138133.3 Ų133.374%0.73878%0.776SS**  trans-7.8118.4158.6-176.711.3000119.5
557Q32.2Very low29.5Very low162 Ų162135 Ų13576%0.75778%0.784SS**  168.7141.3120.9-95.2-173.2109.400115.5
558Q28Very low29.7Very low183 Ų183133.7 Ų133.786%0.85578%0.778SS**  trans-177.8112.3146.3-102.6165.17.800107
559I28.2Very low29.9Very low151 Ų151135.5 Ų135.577%0.77478%0.782SS**  101.5140.464.3-78.3169.2000112.2
560S29.5Very low29.6Very low106 Ų106135.8 Ų135.874%0.74178%0.781SS**  trans-54.9169.6-170.5-38.50000116.3
561T34.1Very low29.5Very low131 Ų131135.4 Ų135.480%0.80478%0.778SS**  cis-140.2-158.319.962.80000110.5
562S32.3Very low29.7Very low108 Ų108138 Ų13876%0.75579%0.785SS**  cis-163.1150.3-4.346.90000111.5
563G32.8Very low30.1Very low87 Ų87135.9 Ų135.990%0.89778%0.784SS**  trans78.2108.4139.100000121.1
564G29.5Very low30.3Very low77 Ų77133.8 Ų133.879%0.79479%0.793SS**  trans165.8119.3165.400000112.4
565V31.3Very low30.7Very low140 Ų140129.3 Ų129.385%0.84879%0.794SS**  trans-129.2126.3-165.1177.90000112.2
566C26.3Very low31.7Very low108 Ų108130.4 Ų130.473%0.7380%0.804SS**  -177.3123.7126.2-109.90000115.5
567L29.1Very low32Very low158 Ų158129.6 Ų129.683%0.82781%0.806SS**  trans50.3110.2138.5-58.4175.7000121.6
568Q32Very low32.1Very low151 Ų151132 Ų13271%0.70682%0.815SS**  trans-91.7146141.7-169.7-163.277.500109.2
569P31.8Very low32.3Very low126 Ų126135.1 Ų135.182%0.81882%0.818SS**  trans-94.9141155.5-2.522.4000111.2
570K26.2Very low32.7Very low186 Ų186136.3 Ų136.381%0.80982%0.823SS**  trans-136.9116.3-164.3-177.9-179.1179.5179.90113.4
571S26.9Very low33.1Very low114 Ų114136.3 Ų136.380%0.79782%0.822SS**  trans-171.3152.716349.60000110.8
572V29.7Very low33.6Very low139 Ų139139.2 Ų139.284%0.84283%0.827SS**  cis-149.7157-23132.30000106.4
573S37Very low34.2Very low117 Ų117142.9 Ų142.982%0.81883%0.832SS**  trans-64135.1-179-50.40000114.8
574A34.4Very low34.9Very low107 Ų107147.9 Ų147.988%0.88483%0.832SS**  trans-178.4147.1132.400000111.6
575G35.3Very low35.6Very low74 Ų74152.1 Ų152.176%0.76383%0.832SS**  trans121.9122.9165.100000115.9
576L47Very low36.3Very low176 Ų176151.2 Ų151.292%0.92183%0.826SS**PPolyproline II helixtrans-79.8132.1169.6-68.3163.8000110.6
577P38.8Very low37.3Very low121 Ų121157.5 Ų157.579%0.78683%0.834SS**PPolyproline II helixtrans-97.3121.6163.533-27.7000111.6R579P577-R579 PolarHBondContact O-N 3.15Å
578F33.3Very low38.5Very low213 Ų213153.5 Ų153.593%0.93482%0.818SS**PPolyproline II helixtrans-59.4130.3167.2-108.1-109.8000110.5M580F578-M580 PolarHBondContact O-N 3.06Å; F578-M580 VanDerWaalsContact O-N 3.15Å
579R33.6Very low39.5Very low247 Ų247151.3 Ų151.393%0.93281%0.811SS**  trans-86.185.1180-161.5-177.8-157.9-115.76111.6P577P577-R579 PolarHBondContact O-N 3.15Å
580M36.4Very low40.8Very low177 Ų177150.2 Ų150.287%0.87280%0.801SS**  trans-62.1133.3172.3-156.168.4172.500110.7F578 Q582F578-M580 PolarHBondContact O-N 3.06Å; F578-M580 VanDerWaalsContact O-N 3.15Å; M580-Q582 PolarHBondContact O-N 2.87Å
581S36.7Very low42.8Very low105 Ų105143.3 Ų143.373%0.73478%0.783SS**  trans-81.499.5-17147.50000113.3Q583S581-Q583 PolarHBondContact O-N 2.87Å
582Q45.3Very low44.7Very low193 Ų193145.1 Ų145.190%0.90277%0.773SS**  trans-73.184.6172.3-171.5-170.686.600111.2M580M580-Q582 PolarHBondContact O-N 2.87Å
583Q44.2Very low46.7Very low185 Ų185146.5 Ų146.586%0.86477%0.765SS**  trans-133.342177.3-153.6-174.623.800113.3S581S581-Q583 PolarHBondContact O-N 2.87Å
584Q47.2Very low48.5Very low192 Ų192148 Ų14890%0.89776%0.757SS**  trans-139.137.7-169.2-145.61697500115.8
585Q44.3Very low50.5Low166 Ų166146.7 Ų146.778%0.77673%0.734SS**SBendtrans-124.9-14.5172.5-82.7-173.1-17.800116.6P588Q585-P588 VanDerWaalsContact O-CD 3.26Å; Q585-P588 WeakPolarHBondContact O-CD 3.49Å
586V46.4Very low52.5Low121 Ų121150 Ų15073%0.73373%0.728SS**SBendtrans-86.9-19.4-173.9-171.40000113.8
587R48.6Very low54.1Low239 Ų239146.6 Ų146.690%0.90271%0.707SS**Hα-helixtrans-66-26.8-175.3-80.7-167.6175.4-153.7-1118.4
588P52.5Low55.9Low75 Ų75143.9 Ų143.949%0.48769%0.685SS.*Hα-helixtrans-73.1-33.1-175.527.9-32.6000113.3Q585 V590 G591 Y592Q585-P588 VanDerWaalsContact O-CD 3.26Å; Q585-P588 WeakPolarHBondContact O-CD 3.49Å; P588-V590 PolarHBondContact O-N 3.06Å; P588-G591 PolarHBondContact O-N 2.8Å; P588-Y592 HydrophobicContact CB-CE2 4.37Å; P588-Y592 WeakPolarHBondContact O-CD2 3.27Å; P588-Y592 PolarHBondContact O-N 3.23Å
589L53.1Low58.2Low105 Ų105137.7 Ų137.755%0.5566%0.661SS.*Hα-helixtrans-61.6-43.1-173.7-80.3164.2000113.1G591 Y592 Y593L589-G591 VanDerWaalsContact C-N 3.26Å; L589-G591 PolarHBondContact O-N 2.97Å; L589-Y592 PolarHBondContact O-N 3.03Å; L589-Y592 VanDerWaalsContact O-N 3.14Å; L589-Y593 HydrophobicContact CD2-CE2 4.43Å; L589-Y593 VanDerWaalsContact O-CD2 3.28Å; L589-Y593 WeakPolarHBondContact O-CD2 3.27Å; L589-Y593 PolarHBondContact O-N 3.39Å; L589-Y593 VanDerWaalsContact O-N 3.1Å
590V60.7Low60.4Low102 Ų102131 Ų13162%0.61864%0.639SS**Hα-helixtrans-60.4-37.7-178.6-174.90000111.5P588 Y593 F594P588-V590 PolarHBondContact O-N 3.06Å; V590-Y593 PolarHBondContact O-N 3.03Å; V590-F594 PolarHBondContact O-N 3.36Å; V590-F594 VanDerWaalsContact O-N 3.14Å
591G66.5Low62.6Low41 Ų41128.3 Ų128.342%0.42362%0.623SS.*Hα-helixtrans-63.9-41.5176.500000112.8P588 L589 F594 L595P588-G591 PolarHBondContact O-N 2.8Å; L589-G591 VanDerWaalsContact C-N 3.26Å; L589-G591 PolarHBondContact O-N 2.97Å; G591-F594 PolarHBondContact O-N 3.02Å; G591-L595 PolarHBondContact O-N 3.19Å; G591-L595 VanDerWaalsContact O-N 3.07Å
592Y68Low64.6Low153 Ų153129.4 Ų129.460%0.661%0.614SS**Hα-helixtrans-67.5-41.6177.1-70.6-66.6000112.7P588 L589 F594 L595 F596P588-Y592 HydrophobicContact CB-CE2 4.37Å; P588-Y592 WeakPolarHBondContact O-CD2 3.27Å; P588-Y592 PolarHBondContact O-N 3.23Å; L589-Y592 PolarHBondContact O-N 3.03Å; L589-Y592 VanDerWaalsContact O-N 3.14Å; Y592-F594 VanDerWaalsContact C-N 3.35Å; Y592-F594 PolarHBondContact O-N 3.3Å; Y592-L595 PolarHBondContact O-N 3.47Å; Y592-F596 WeakPolarHBondContact O-CD2 3.39Å; Y592-F596 PolarHBondContact O-N 3.27Å
593Y71.5Confident66.4Low168 Ų168127.2 Ų127.266%0.65960%0.602SS**Hα-helixtrans-61.6-41.5175.9-80.1-71.1000112.4L589 V590 F596 E597L589-Y593 HydrophobicContact CD2-CE2 4.43Å; L589-Y593 VanDerWaalsContact O-CD2 3.28Å; L589-Y593 WeakPolarHBondContact O-CD2 3.27Å; L589-Y593 PolarHBondContact O-N 3.39Å; L589-Y593 VanDerWaalsContact O-N 3.1Å; V590-Y593 PolarHBondContact O-N 3.03Å; Y593-F596 PolarHBondContact O-N 3.08Å; Y593-E597 PolarHBondContact O-N 3.48Å
594F74.1Confident68.2Low149 Ų149124.7 Ų124.765%0.65459%0.59SS**Hα-helixtrans-64.4-41.5176.4-167.9-115.9000112.1V590 G591 Y592 E597 I598V590-F594 PolarHBondContact O-N 3.36Å; V590-F594 VanDerWaalsContact O-N 3.14Å; G591-F594 PolarHBondContact O-N 3.02Å; Y592-F594 VanDerWaalsContact C-N 3.35Å; Y592-F594 PolarHBondContact O-N 3.3Å; F594-E597 PolarHBondContact O-N 2.84Å; F594-I598 HydrophobicContact CD1-CD1 3.73Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CG-CD1 4.38Å; F594-I598 HydrophobicContact CZ-CD1 4.02Å; F594-I598 WeakPolarHBondContact O-CG1 3.49Å; F594-I598 PolarHBondContact O-N 2.87Å
595L77.5Confident69.7Low79 Ų79121.1 Ų121.141%0.41457%0.571SS.*Hα-helixtrans-62.5-40.6173.5-111154.7000112.7G591 Y592 I598 I599G591-L595 PolarHBondContact O-N 3.19Å; G591-L595 VanDerWaalsContact O-N 3.07Å; Y592-L595 PolarHBondContact O-N 3.47Å; L595-I598 PolarHBondContact O-N 3.49Å; L595-I599 HydrophobicContact CD2-CD1 4.15Å; L595-I599 WeakPolarHBondContact O-CB 3.42Å; L595-I599 WeakPolarHBondContact O-CD1 3.32Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.49Å; L595-I599 PolarHBondContact O-N 3.24Å
596F77.2Confident71.3Confident144 Ų144116 Ų11663%0.63255%0.554SS**Hα-helixtrans-64.2-42.8176.8-98.7-78.6000112.7Y592 Y593 I599 K600Y592-F596 WeakPolarHBondContact O-CD2 3.39Å; Y592-F596 PolarHBondContact O-N 3.27Å; Y593-F596 PolarHBondContact O-N 3.08Å; F596-I599 PolarHBondContact O-N 2.87Å; F596-K600 VanDerWaalsContact O-CB 3.28Å; F596-K600 WeakPolarHBondContact O-CB 3.33Å; F596-K600 PolarHBondContact O-N 3.21Å
597E80.6Confident73Confident103 Ų103112.9 Ų112.948%0.48154%0.535SS..Hα-helixtrans-69.1-35.4176.3-75.7-62146.600112.5Y593 F594 K600 F601Y593-E597 PolarHBondContact O-N 3.48Å; F594-E597 PolarHBondContact O-N 2.84Å; E597-K600 PolarHBondContact O-N 3.02Å; E597-K600 IonicContact OE1-NZ 2.93Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 3.12Å; E597-K600 PolarHBondContact OE2-NZ 3.34Å; E597-F601 WeakPolarHBondContact O-CB 3.5Å; E597-F601 PolarHBondContact O-N 3.21Å
598I76.4Confident74.5Confident64 Ų64104.8 Ų104.833%0.32852%0.515SS..Hα-helixtrans-61.2-47.9170.7-73.1169.6000111.1F594 L595 K600 F601 F602F594-I598 HydrophobicContact CD1-CD1 3.73Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CG-CD1 4.38Å; F594-I598 HydrophobicContact CZ-CD1 4.02Å; F594-I598 WeakPolarHBondContact O-CG1 3.49Å; F594-I598 PolarHBondContact O-N 2.87Å; L595-I598 PolarHBondContact O-N 3.49Å; I598-K600 VanDerWaalsContact C-N 3.3Å; I598-K600 PolarHBondContact O-N 2.84Å; I598-F601 PolarHBondContact O-N 3.13Å; I598-F602 HydrophobicContact CG2-CD2 3.72Å; I598-F602 HydrophobicContact CG2-CE2 3.75Å; I598-F602 WeakPolarHBondContact O-CD2 3.41Å; I598-F602 PolarHBondContact O-N 3.39Å
599I81.2Confident75.9Confident84 Ų84105.5 Ų105.543%0.43151%0.514SS..Hα-helixtrans-62.2-39.6178.5-70.6164.5000111L595 F596 K603L595-I599 HydrophobicContact CD2-CD1 4.15Å; L595-I599 WeakPolarHBondContact O-CB 3.42Å; L595-I599 WeakPolarHBondContact O-CD1 3.32Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.49Å; L595-I599 PolarHBondContact O-N 3.24Å; F596-I599 PolarHBondContact O-N 2.87Å; I599-K603 VanDerWaalsContact O-CB 3.31Å; I599-K603 WeakPolarHBondContact O-CB 3.35Å; I599-K603 PolarHBondContact O-N 3.13Å
600K79.6Confident77Confident105 Ų105103.7 Ų103.746%0.45751%0.505SS..Hα-helixtrans-63.8-47175.4175.3172.6154.1-125.60111.7F596 E597 I598 K603 E604F596-K600 VanDerWaalsContact O-CB 3.28Å; F596-K600 WeakPolarHBondContact O-CB 3.33Å; F596-K600 PolarHBondContact O-N 3.21Å; E597-K600 PolarHBondContact O-N 3.02Å; E597-K600 IonicContact OE1-NZ 2.93Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 3.12Å; E597-K600 PolarHBondContact OE2-NZ 3.34Å; I598-K600 VanDerWaalsContact C-N 3.3Å; I598-K600 PolarHBondContact O-N 2.84Å; K600-K603 PolarHBondContact O-N 2.99Å; K600-E604 WeakPolarHBondContact O-CB 3.32Å; K600-E604 PolarHBondContact O-N 2.91Å
601F82.8Confident78.1Confident122 Ų122106.7 Ų106.754%0.53551%0.505SS..Hα-helixtrans-59.4-46.6175.7177.5-100.7000112.4E597 I598 K603 E604 K605E597-F601 WeakPolarHBondContact O-CB 3.5Å; E597-F601 PolarHBondContact O-N 3.21Å; I598-F601 PolarHBondContact O-N 3.13Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 3.36Å; F601-E604 PolarHBondContact O-N 3.28Å; F601-K605 HydrophobicContact CE1-CD 4.34Å; F601-K605 HydrophobicContact CZ-CD 4.45Å; F601-K605 WeakPolarHBondContact O-CB 3.35Å; F601-K605 PolarHBondContact O-N 2.8Å
602F79.7Confident78.8Confident128 Ų128109.2 Ų109.256%0.56151%0.509SS*.Hα-helixtrans-63.7-37.7175.9-84.2-68.2000112.7I598 S606I598-F602 HydrophobicContact CG2-CD2 3.72Å; I598-F602 HydrophobicContact CG2-CE2 3.75Å; I598-F602 WeakPolarHBondContact O-CD2 3.41Å; I598-F602 PolarHBondContact O-N 3.39Å; F602-S606 WeakPolarHBondContact O-CB 3.2Å; F602-S606 PolarHBondContact O-N 3.35Å; F602-S606 PolarHBondContact O-OG 3.05Å
603K82.6Confident79.5Confident146 Ų146105.5 Ų105.564%0.63550%0.499SS*.Hα-helixtrans-68.9-36.1176.2-172.7174-177.9178.10112.7I599 K600 F601 S606 V607I599-K603 VanDerWaalsContact O-CB 3.31Å; I599-K603 WeakPolarHBondContact O-CB 3.35Å; I599-K603 PolarHBondContact O-N 3.13Å; K600-K603 PolarHBondContact O-N 2.99Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 3.36Å; K603-S606 PolarHBondContact O-OG 2.88Å; K603-S606 VanDerWaalsContact O-OG 3.06Å; K603-V607 WeakPolarHBondContact O-CB 3.46Å; K603-V607 VanDerWaalsContact O-CG2 3.27Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.19Å; K603-V607 VanDerWaalsContact O-N 3.15Å
604E82.8Confident80Confident132 Ų132102.9 Ų102.962%0.61749%0.488SS*.Hα-helixtrans-70.8-42.6174.8-175.2161-161.700111.3K600 F601 V607 S608K600-E604 WeakPolarHBondContact O-CB 3.32Å; K600-E604 PolarHBondContact O-N 2.91Å; F601-E604 PolarHBondContact O-N 3.28Å; E604-V607 PolarHBondContact O-N 3.43Å; E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.48Å
605K77.6Confident80.6Confident117 Ų11798.1 Ų98.151%0.50947%0.474SS..Hα-helixtrans-64.2-41.1175.8-164.5172.7-174.9178.90112.1F601 S608 I609F601-K605 HydrophobicContact CE1-CD 4.34Å; F601-K605 HydrophobicContact CZ-CD 4.45Å; F601-K605 WeakPolarHBondContact O-CB 3.35Å; F601-K605 PolarHBondContact O-N 2.8Å; K605-S608 WeakPolarHBondContact O-CB 3.44Å; K605-S608 PolarHBondContact O-N 2.82Å; K605-I609 HydrophobicContact CG-CD1 4.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.42Å; K605-I609 PolarHBondContact O-N 3.4Å
606S78Confident81Confident59 Ų5998.8 Ų98.841%0.41348%0.476SS..Hα-helixtrans-64-47.1175.368.80000111.5F602 K603 S608 I609 D610F602-S606 WeakPolarHBondContact O-CB 3.2Å; F602-S606 PolarHBondContact O-N 3.35Å; F602-S606 PolarHBondContact O-OG 3.05Å; K603-S606 PolarHBondContact O-OG 2.88Å; K603-S606 VanDerWaalsContact O-OG 3.06Å; S606-S608 PolarHBondContact O-N 3.49Å; S606-I609 PolarHBondContact O-N 3.05Å; S606-D610 WeakPolarHBondContact O-CB 3.31Å; S606-D610 PolarHBondContact O-N 3.06Å
607V82.7Confident81.3Confident56 Ų5696.9 Ų96.934%0.33947%0.465SS..Hα-helixtrans-59.9-33.5175.1169.40000112.3K603 E604 D610 R611K603-V607 WeakPolarHBondContact O-CB 3.46Å; K603-V607 VanDerWaalsContact O-CG2 3.27Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.19Å; K603-V607 VanDerWaalsContact O-N 3.15Å; E604-V607 PolarHBondContact O-N 3.43Å; V607-D610 PolarHBondContact O-N 2.87Å; V607-R611 VanDerWaalsContact O-CG 3.31Å; V607-R611 WeakPolarHBondContact O-CG 3.47Å; V607-R611 PolarHBondContact O-N 3.28Å
608S79.1Confident81.6Confident69 Ų6996.5 Ų96.548%0.48347%0.466SS..Hα-helixtrans-67.2-47.4174.3-165.90000112.3E604 K605 S606 D610 R611 N612E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.48Å; K605-S608 WeakPolarHBondContact O-CB 3.44Å; K605-S608 PolarHBondContact O-N 2.82Å; S606-S608 PolarHBondContact O-N 3.49Å; S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.13Å; S608-R611 WeakPolarHBondContact O-CB 3.38Å; S608-R611 PolarHBondContact O-N 3.07Å; S608-R611 VanDerWaalsContact O-N 3.13Å; S608-N612 PolarHBondContact O-N 3.17Å
609I81.3Confident82.2Confident90 Ų9099.4 Ų99.446%0.46248%0.476SS..Hα-helixtrans-58-42.3173.5-68.1162.4000110.3K605 S606 R611 N612 N613K605-I609 HydrophobicContact CG-CD1 4.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.42Å; K605-I609 PolarHBondContact O-N 3.4Å; S606-I609 PolarHBondContact O-N 3.05Å; I609-R611 VanDerWaalsContact C-N 3.29Å; I609-R611 PolarHBondContact O-N 3.03Å; I609-N612 PolarHBondContact O-N 3.1Å; I609-N613 WeakPolarHBondContact O-CB 3.39Å; I609-N613 VanDerWaalsContact O-CG 3.31Å; I609-N613 PolarHBondContact O-N 3.09Å
610D77.3Confident82.2Confident66 Ų66102.2 Ų102.235%0.35349%0.486SS..Hα-helixtrans-66.4-26.1179-129.127.3000113.7S606 V607 S608 R614S606-D610 WeakPolarHBondContact O-CB 3.31Å; S606-D610 PolarHBondContact O-N 3.06Å; V607-D610 PolarHBondContact O-N 2.87Å; S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.13Å; D610-R614 VanDerWaalsContact CB-NH2 3.28Å; D610-R614 PolarHBondContact O-N 2.77Å; D610-R614 PolarHBondContact O-NE 3.39Å; D610-R614 PolarHBondContact O-NH2 2.9Å; D610-R614 IonicContact OD2-CZ 3.75Å; D610-R614 IonicContact OD2-NH2 3.56Å; D610-R614 PolarHBondContact OD2-NH2 2.85Å
611R83.3Confident82.5Confident166 Ų166102.9 Ų102.963%0.62649%0.493SS*.Hα-helixtrans-77.8-44.3170.9-72.9167.4-175.1158.71.4110.8V607 S608 I609 N613 R614 S615V607-R611 VanDerWaalsContact O-CG 3.31Å; V607-R611 WeakPolarHBondContact O-CG 3.47Å; V607-R611 PolarHBondContact O-N 3.28Å; S608-R611 WeakPolarHBondContact O-CB 3.38Å; S608-R611 PolarHBondContact O-N 3.07Å; S608-R611 VanDerWaalsContact O-N 3.13Å; I609-R611 VanDerWaalsContact C-N 3.29Å; I609-R611 PolarHBondContact O-N 3.03Å; R611-N613 PolarHBondContact O-N 2.87Å; R611-R614 WeakPolarHBondContact O-CB 3.39Å; R611-R614 PolarHBondContact O-N 3.43Å; R611-R614 VanDerWaalsContact O-N 3.09Å; R611-S615 PolarHBondContact O-N 3.25Å
612N82.6Confident82.8Confident94 Ų94101.7 Ų101.750%0.50349%0.49SS..Hα-helixtrans-60.9-45.7176.6-165.635.9000111.3S608 I609 R614 S615 I616S608-N612 PolarHBondContact O-N 3.17Å; I609-N612 PolarHBondContact O-N 3.1Å; N612-R614 PolarHBondContact O-N 2.92Å; N612-S615 PolarHBondContact O-N 3.43Å; N612-S615 VanDerWaalsContact O-N 3.13Å; N612-I616 WeakPolarHBondContact O-CG1 3.47Å; N612-I616 PolarHBondContact O-N 2.96Å
613N82.3Confident83.2Confident74 Ų74100.9 Ų100.940%0.39649%0.49SS..Hα-helixtrans-67.7-13.5175.7-70.2-12.5000113.9I609 R611 R617I609-N613 WeakPolarHBondContact O-CB 3.39Å; I609-N613 VanDerWaalsContact O-CG 3.31Å; I609-N613 PolarHBondContact O-N 3.09Å; R611-N613 PolarHBondContact O-N 2.87Å; N613-R617 PolarHBondContact O-NE 2.88Å; N613-R617 PolarHBondContact O-NH2 2.83Å
614R82.6Confident83.3Confident114 Ų11497.9 Ų97.943%0.4348%0.478SS..Hα-helixtrans-81-56.6163.2-93.3169.9-82.3-119.5-7.8110.1D610 R611 N612 I616 R617 D618D610-R614 VanDerWaalsContact CB-NH2 3.28Å; D610-R614 PolarHBondContact O-N 2.77Å; D610-R614 PolarHBondContact O-NE 3.39Å; D610-R614 PolarHBondContact O-NH2 2.9Å; D610-R614 IonicContact OD2-CZ 3.75Å; D610-R614 IonicContact OD2-NH2 3.56Å; D610-R614 PolarHBondContact OD2-NH2 2.85Å; R611-R614 WeakPolarHBondContact O-CB 3.39Å; R611-R614 PolarHBondContact O-N 3.43Å; R611-R614 VanDerWaalsContact O-N 3.09Å; N612-R614 PolarHBondContact O-N 2.92Å; R614-I616 VanDerWaalsContact C-N 3.25Å; R614-I616 PolarHBondContact O-N 3.5Å; R614-I616 VanDerWaalsContact O-N 3.1Å; R614-R617 CarbonylContact O-C 3.59Å; R614-R617 WeakPolarHBondContact O-CA 3.31Å; R614-R617 WeakPolarHBondContact O-CB 3.44Å; R614-R617 PolarHBondContact O-N 3.13Å; R614-D618 PolarHBondContact O-N 3.34Å; R614-D618 VanDerWaalsContact O-OD2 3.07Å
615S85.3Confident83.5Confident49 Ų4996.4 Ų96.434%0.34347%0.474SS..Hα-helixtrans-52.6-38.8179.8-171.20000113.9R611 N612 D618 K619R611-S615 PolarHBondContact O-N 3.25Å; N612-S615 PolarHBondContact O-N 3.43Å; N612-S615 VanDerWaalsContact O-N 3.13Å; S615-D618 PolarHBondContact O-N 3.14Å; S615-K619 WeakPolarHBondContact O-CB 3.19Å; S615-K619 VanDerWaalsContact O-CG 3.28Å; S615-K619 WeakPolarHBondContact O-CG 3.15Å; S615-K619 PolarHBondContact O-N 3.18Å
616I85.3Confident83.8Confident92 Ų9296.5 Ų96.547%0.47247%0.474SS..Hα-helixtrans-65.4-39.1175.3-67.6164.9000111.9N612 R614 K620N612-I616 WeakPolarHBondContact O-CG1 3.47Å; N612-I616 PolarHBondContact O-N 2.96Å; R614-I616 VanDerWaalsContact C-N 3.25Å; R614-I616 PolarHBondContact O-N 3.5Å; R614-I616 VanDerWaalsContact O-N 3.1Å; I616-K620 VanDerWaalsContact O-CB 3.32Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 3.39Å
617R84.4Confident84.2Confident105 Ų10597.8 Ų97.840%0.39648%0.476SS..Hα-helixtrans-70.4-41.4174.8-78.8-177.7-72.1165.5-5.9111.6N613 R614 K620 L621N613-R617 PolarHBondContact O-NE 2.88Å; N613-R617 PolarHBondContact O-NH2 2.83Å; R614-R617 CarbonylContact O-C 3.59Å; R614-R617 WeakPolarHBondContact O-CA 3.31Å; R614-R617 WeakPolarHBondContact O-CB 3.44Å; R614-R617 PolarHBondContact O-N 3.13Å; R617-K620 WeakPolarHBondContact O-CB 3.31Å; R617-K620 PolarHBondContact O-N 2.65Å; R617-L621 WeakPolarHBondContact O-CG 3.42Å; R617-L621 PolarHBondContact O-N 3.36Å
618D86.6Confident84.4Confident94 Ų9499.1 Ų99.150%0.50348%0.481SS..Hα-helixtrans-64.7-45.2-179.8-55.4-34.8000110.3R614 S615 K620 L621 E622R614-D618 PolarHBondContact O-N 3.34Å; R614-D618 VanDerWaalsContact O-OD2 3.07Å; S615-D618 PolarHBondContact O-N 3.14Å; D618-K620 VanDerWaalsContact C-N 3.35Å; D618-K620 PolarHBondContact O-N 2.65Å; D618-L621 PolarHBondContact O-N 2.56Å; D618-E622 PolarHBondContact O-N 2.87Å
619K88.6Confident84.7Confident125 Ų125100.4 Ų100.454%0.54348%0.482SS..Hα-helixtrans-60.6-38.9170.7-73174.2178.5-1780112.9S615 L621 E622 I623S615-K619 WeakPolarHBondContact O-CB 3.19Å; S615-K619 VanDerWaalsContact O-CG 3.28Å; S615-K619 WeakPolarHBondContact O-CG 3.15Å; S615-K619 PolarHBondContact O-N 3.18Å; K619-L621 VanDerWaalsContact C-N 3.35Å; K619-E622 PolarHBondContact O-N 3.14Å; K619-I623 VanDerWaalsContact O-CG1 3.31Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 3.23Å
620K82Confident85Confident144 Ų144101.8 Ų101.863%0.62649%0.487SS*.Hα-helixtrans-65.6-37.3175.9-173.5175.4-179.1178.30112I616 R617 D618 Q624I616-K620 VanDerWaalsContact O-CB 3.32Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 3.39Å; R617-K620 WeakPolarHBondContact O-CB 3.31Å; R617-K620 PolarHBondContact O-N 2.65Å; D618-K620 VanDerWaalsContact C-N 3.35Å; D618-K620 PolarHBondContact O-N 2.65Å; K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 VanDerWaalsContact O-CG 3.27Å; K620-Q624 WeakPolarHBondContact O-CG 3.49Å; K620-Q624 PolarHBondContact O-N 3.39Å; K620-Q624 VanDerWaalsContact O-N 3.09Å
621L86.4Confident85.4Confident118 Ų118102 Ų10262%0.61849%0.49SS*.Hα-helixtrans-69.4-38.8173.5-70.2170.9000111.7R617 D618 K619 Q624 L625R617-L621 WeakPolarHBondContact O-CG 3.42Å; R617-L621 PolarHBondContact O-N 3.36Å; D618-L621 PolarHBondContact O-N 2.56Å; K619-L621 VanDerWaalsContact C-N 3.35Å; L621-Q624 PolarHBondContact O-N 3.02Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 PolarHBondContact O-N 3.33Å
622E88.4Confident85.6Confident97 Ų9798.2 Ų98.245%0.45348%0.482SS..Hα-helixtrans-61.6-45.6174.9-166.1-163.814900112D618 K619 L625 K626D618-E622 PolarHBondContact O-N 2.87Å; K619-E622 PolarHBondContact O-N 3.14Å; E622-L625 PolarHBondContact O-N 2.89Å; E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.45Å; E622-K626 VanDerWaalsContact OE1-CE 3.22Å; E622-K626 WeakPolarHBondContact OE1-CE 3.22Å; E622-K626 IonicContact OE1-NZ 2.73Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å
623I89.1Confident85.8Confident111 Ų11195.1 Ų95.157%0.56947%0.473SS*.Hα-helixtrans-63.3-42.9176.2-68.7164.8000111K619 K626 L627K619-I623 VanDerWaalsContact O-CG1 3.31Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 3.23Å; I623-K626 PolarHBondContact O-N 3.09Å; I623-L627 PolarHBondContact O-N 3.37Å
624Q83Confident85.9Confident83 Ų8396 Ų9639%0.38848%0.477SS..Hα-helixtrans-62.6-42.3174.8-74.9-72.7-45.600111.9K620 L621 K626 L627 I628K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 VanDerWaalsContact O-CG 3.27Å; K620-Q624 WeakPolarHBondContact O-CG 3.49Å; K620-Q624 PolarHBondContact O-N 3.39Å; K620-Q624 VanDerWaalsContact O-N 3.09Å; L621-Q624 PolarHBondContact O-N 3.02Å; Q624-K626 PolarHBondContact O-N 2.97Å; Q624-L627 PolarHBondContact O-N 3.12Å; Q624-I628 WeakPolarHBondContact O-CB 3.41Å; Q624-I628 WeakPolarHBondContact O-CD1 3.23Å; Q624-I628 WeakPolarHBondContact O-CG1 3.49Å; Q624-I628 PolarHBondContact O-N 3Å
625L87.2Confident86Confident101 Ų10194.3 Ų94.353%0.52948%0.476SS..Hα-helixtrans-65.2-38178.1-174.662.2000112.1L621 E622 N629L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 PolarHBondContact O-N 3.33Å; E622-L625 PolarHBondContact O-N 2.89Å; L625-N629 WeakPolarHBondContact O-CB 3.33Å; L625-N629 VanDerWaalsContact O-CG 3.23Å; L625-N629 PolarHBondContact O-N 2.88Å; L625-N629 PolarHBondContact O-ND2 3.21Å
626K85.3Confident85.9Confident119 Ų11996.9 Ų96.952%0.51749%0.485SS..Hα-helixtrans-62.5-50.4173-73175.4-173.6173.30111.4E622 I623 Q624 I628 N629 E630E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.45Å; E622-K626 VanDerWaalsContact OE1-CE 3.22Å; E622-K626 WeakPolarHBondContact OE1-CE 3.22Å; E622-K626 IonicContact OE1-NZ 2.73Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å; I623-K626 PolarHBondContact O-N 3.09Å; Q624-K626 PolarHBondContact O-N 2.97Å; K626-I628 VanDerWaalsContact C-N 3.3Å; K626-I628 PolarHBondContact O-N 3.19Å; K626-N629 PolarHBondContact O-N 3.18Å; K626-N629 VanDerWaalsContact O-N 3.16Å; K626-E630 WeakPolarHBondContact O-CB 3.15Å; K626-E630 PolarHBondContact O-N 2.98Å
627L86.4Confident85.9Confident86 Ų8699.2 Ų99.245%0.4549%0.494SS..Hα-helixtrans-59.9-38.6178.1-176.465.2000112.6I623 Q624 T631I623-L627 PolarHBondContact O-N 3.37Å; Q624-L627 PolarHBondContact O-N 3.12Å; L627-T631 VanDerWaalsContact O-CB 3.32Å; L627-T631 WeakPolarHBondContact O-CB 3.33Å; L627-T631 PolarHBondContact O-N 3.12Å; L627-T631 PolarHBondContact O-OG1 2.95Å
628I86.8Confident85.8Confident85 Ų85100.5 Ų100.544%0.43650%0.502SS..Hα-helixtrans-65.9-45.9175.2-70167000110.9Q624 K626 E630 T631 L632Q624-I628 WeakPolarHBondContact O-CB 3.41Å; Q624-I628 WeakPolarHBondContact O-CD1 3.23Å; Q624-I628 WeakPolarHBondContact O-CG1 3.49Å; Q624-I628 PolarHBondContact O-N 3Å; K626-I628 VanDerWaalsContact C-N 3.3Å; K626-I628 PolarHBondContact O-N 3.19Å; I628-E630 PolarHBondContact O-N 3.36Å; I628-T631 PolarHBondContact O-N 3.36Å; I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.44Å; I628-L632 WeakPolarHBondContact O-CB 3.42Å; I628-L632 VanDerWaalsContact O-CG 3.26Å; I628-L632 WeakPolarHBondContact O-CG 3.17Å; I628-L632 PolarHBondContact O-N 2.93Å
629N83.8Confident85.5Confident95 Ų95102.7 Ų102.751%0.50850%0.504SS..Hα-helixtrans-64.8-39178.3-72.9-20.2000112.5L625 K626 L632 G633L625-N629 WeakPolarHBondContact O-CB 3.33Å; L625-N629 VanDerWaalsContact O-CG 3.23Å; L625-N629 PolarHBondContact O-N 2.88Å; L625-N629 PolarHBondContact O-ND2 3.21Å; K626-N629 PolarHBondContact O-N 3.18Å; K626-N629 VanDerWaalsContact O-N 3.16Å; N629-L632 PolarHBondContact O-N 3.48Å; N629-G633 PolarHBondContact O-N 3.22Å
630E88.9Confident85Confident120 Ų120103 Ų10356%0.56151%0.508SS*.Hα-helixtrans-63.5-48174-172.8-176.1158.300111.2K626 I628 L632 G633 N634K626-E630 WeakPolarHBondContact O-CB 3.15Å; K626-E630 PolarHBondContact O-N 2.98Å; I628-E630 PolarHBondContact O-N 3.36Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.24Å; E630-G633 PolarHBondContact O-N 2.84Å; E630-G633 VanDerWaalsContact O-N 3.16Å; E630-N634 VanDerWaalsContact O-CG 3.29Å; E630-N634 PolarHBondContact O-N 3.14Å; E630-N634 PolarHBondContact O-ND2 2.98Å
631T85.3Confident85Confident69 Ų69101.5 Ų101.542%0.42351%0.506SS..Hα-helixtrans-59.1-43.6175.3-56.60000111.5L627 I628 N634 I635L627-T631 VanDerWaalsContact O-CB 3.32Å; L627-T631 WeakPolarHBondContact O-CB 3.33Å; L627-T631 PolarHBondContact O-N 3.12Å; L627-T631 PolarHBondContact O-OG1 2.95Å; I628-T631 PolarHBondContact O-N 3.36Å; T631-N634 PolarHBondContact O-N 3.46Å; T631-I635 HydrophobicContact CG2-CD1 3.95Å; T631-I635 WeakPolarHBondContact O-CB 3.37Å; T631-I635 VanDerWaalsContact O-CG1 3.25Å; T631-I635 WeakPolarHBondContact O-CG1 3.32Å; T631-I635 PolarHBondContact O-N 3.46Å
632L86.7Confident84.6Confident87 Ų87100.2 Ų100.246%0.45550%0.497SS..Hα-helixtrans-66.2-38.6175.8-72.5170.8000112.1I628 N629 E630 I635 I636I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.44Å; I628-L632 WeakPolarHBondContact O-CB 3.42Å; I628-L632 VanDerWaalsContact O-CG 3.26Å; I628-L632 WeakPolarHBondContact O-CG 3.17Å; I628-L632 PolarHBondContact O-N 2.93Å; N629-L632 PolarHBondContact O-N 3.48Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.24Å; L632-I635 PolarHBondContact O-N 3.46Å; L632-I636 WeakPolarHBondContact O-CB 3.5Å; L632-I636 WeakPolarHBondContact O-CD1 3.45Å; L632-I636 WeakPolarHBondContact O-CG1 3.21Å; L632-I636 PolarHBondContact O-N 3.5Å
633G87.6Confident83.9Confident30 Ų3099.9 Ų99.931%0.30950%0.498SS..Hα-helixtrans-58.9-48.1173.400000112N629 E630 I635 I636 Q637N629-G633 PolarHBondContact O-N 3.22Å; E630-G633 PolarHBondContact O-N 2.84Å; E630-G633 VanDerWaalsContact O-N 3.16Å; G633-I635 PolarHBondContact O-N 2.63Å; G633-I636 PolarHBondContact O-N 3.18Å; G633-Q637 PolarHBondContact O-N 3.21Å
634N85Confident83.3Confident92 Ų92101.1 Ų101.149%0.49250%0.497SS..Hα-helixtrans-64.9-39.2178.2-65.4-16.7000112E630 T631 Q637 K638E630-N634 VanDerWaalsContact O-CG 3.29Å; E630-N634 PolarHBondContact O-N 3.14Å; E630-N634 PolarHBondContact O-ND2 2.98Å; T631-N634 PolarHBondContact O-N 3.46Å; N634-Q637 PolarHBondContact O-N 3.48Å; N634-K638 WeakPolarHBondContact O-CB 3.27Å; N634-K638 PolarHBondContact O-N 3.28Å
635I83.8Confident82.9Confident78 Ų78100.2 Ų100.240%0.450%0.497SS..Hα-helixtrans-63.3-44.1172.8-72166.5000111.1T631 L632 G633 K638 Y639T631-I635 HydrophobicContact CG2-CD1 3.95Å; T631-I635 WeakPolarHBondContact O-CB 3.37Å; T631-I635 VanDerWaalsContact O-CG1 3.25Å; T631-I635 WeakPolarHBondContact O-CG1 3.32Å; T631-I635 PolarHBondContact O-N 3.46Å; L632-I635 PolarHBondContact O-N 3.46Å; G633-I635 PolarHBondContact O-N 2.63Å; I635-K638 PolarHBondContact O-N 3.03Å; I635-Y639 HydrophobicContact CG2-CD2 3.71Å; I635-Y639 HydrophobicContact CG2-CE2 3.67Å; I635-Y639 VanDerWaalsContact O-CD2 3.3Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 2.98Å
636I83.6Confident82.2Confident103 Ų103100.5 Ų100.553%0.52850%0.498SS..Hα-helixtrans-65-43.5177.9-70.6163.8000110.8L632 G633 K638 Y639 Q640L632-I636 WeakPolarHBondContact O-CB 3.5Å; L632-I636 WeakPolarHBondContact O-CD1 3.45Å; L632-I636 WeakPolarHBondContact O-CG1 3.21Å; L632-I636 PolarHBondContact O-N 3.5Å; G633-I636 PolarHBondContact O-N 3.18Å; I636-K638 PolarHBondContact O-N 2.71Å; I636-Y639 PolarHBondContact O-N 3.35Å; I636-Q640 HydrophobicContact CG2-CG 4.45Å; I636-Q640 VanDerWaalsContact O-CG 3.31Å; I636-Q640 WeakPolarHBondContact O-CG 3.37Å; I636-Q640 PolarHBondContact O-N 2.7Å
637Q84.3Confident81.6Confident141 Ų14198.8 Ų98.866%0.65950%0.495SS*.Hα-helixtrans-59.9-44.6174.1-75.8-169.80.600111.8G633 N634 Y639 Q640 L641G633-Q637 PolarHBondContact O-N 3.21Å; N634-Q637 PolarHBondContact O-N 3.48Å; Q637-Y639 PolarHBondContact O-N 2.92Å; Q637-Q640 PolarHBondContact O-N 3.17Å; Q637-L641 WeakPolarHBondContact O-CB 3.44Å; Q637-L641 PolarHBondContact O-N 2.99Å
638K82.8Confident81.1Confident132 Ų132101.5 Ų101.557%0.57450%0.499SS*.Hα-helixtrans-58.9-47.7175.5-179.3172.8171.6175.10111.7N634 I635 I636 Q640 L641 E642N634-K638 WeakPolarHBondContact O-CB 3.27Å; N634-K638 PolarHBondContact O-N 3.28Å; I635-K638 PolarHBondContact O-N 3.03Å; I636-K638 PolarHBondContact O-N 2.71Å; K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 3.37Å; K638-L641 PolarHBondContact O-N 2.93Å; K638-E642 WeakPolarHBondContact CE-OE1 2.79Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.38Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.16Å
639Y80.3Confident80.4Confident141 Ų141101.5 Ų101.555%0.55350%0.5SS*.Hα-helixtrans-62.6-36.3176-85-62.6000113.1I635 I636 Q637 N643I635-Y639 HydrophobicContact CG2-CD2 3.71Å; I635-Y639 HydrophobicContact CG2-CE2 3.67Å; I635-Y639 VanDerWaalsContact O-CD2 3.3Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 2.98Å; I636-Y639 PolarHBondContact O-N 3.35Å; Q637-Y639 PolarHBondContact O-N 2.92Å; Y639-N643 WeakPolarHBondContact O-CB 3.22Å; Y639-N643 PolarHBondContact O-N 2.88Å; Y639-N643 PolarHBondContact O-ND2 3.36Å
640Q79.3Confident79.9Confident131 Ų13199.7 Ų99.761%0.61249%0.492SS*.Hα-helixtrans-67.3-40174.7-70.3-67.4-8.200111.7I636 Q637 K638 N643 Y644I636-Q640 HydrophobicContact CG2-CG 4.45Å; I636-Q640 VanDerWaalsContact O-CG 3.31Å; I636-Q640 WeakPolarHBondContact O-CG 3.37Å; I636-Q640 PolarHBondContact O-N 2.7Å; Q637-Q640 PolarHBondContact O-N 3.17Å; K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 3.37Å; Q640-N643 PolarHBondContact O-N 3.48Å; Q640-Y644 VanDerWaalsContact O-CB 3.3Å; Q640-Y644 WeakPolarHBondContact O-CB 3.42Å; Q640-Y644 PolarHBondContact O-N 3.33Å
641L81.3Confident78.9Confident112 Ų112100.9 Ų100.959%0.58649%0.492SS*.Hα-helixtrans-66.2-45.4176.5-174.462.9000111.6Q637 K638 N643 Y644 V645Q637-L641 WeakPolarHBondContact O-CB 3.44Å; Q637-L641 PolarHBondContact O-N 2.99Å; K638-L641 PolarHBondContact O-N 2.93Å; L641-N643 PolarHBondContact O-N 2.96Å; L641-Y644 PolarHBondContact O-N 3.3Å; L641-V645 WeakPolarHBondContact O-CG2 3.25Å; L641-V645 PolarHBondContact O-N 3.16Å
642E78.1Confident78.2Confident91 Ų91104.4 Ų104.443%0.42550%0.501SS..Hα-helixtrans-60.9-43.1175-73.8176.6175.900111.6K638 V645 L646K638-E642 WeakPolarHBondContact CE-OE1 2.79Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.38Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.16Å; E642-V645 PolarHBondContact O-N 3.11Å; E642-L646 VanDerWaalsContact O-CB 3.24Å; E642-L646 WeakPolarHBondContact O-CB 3.48Å; E642-L646 PolarHBondContact O-N 3.16Å
643N74.2Confident77.5Confident91 Ų91104.7 Ų104.749%0.48750%0.503SS..Hα-helixtrans-66.6-36.4174.3-83.9-85.5000112.5Y639 Q640 L641 N647Y639-N643 WeakPolarHBondContact O-CB 3.22Å; Y639-N643 PolarHBondContact O-N 2.88Å; Y639-N643 PolarHBondContact O-ND2 3.36Å; Q640-N643 PolarHBondContact O-N 3.48Å; L641-N643 PolarHBondContact O-N 2.96Å; N643-N647 WeakPolarHBondContact O-CB 3.4Å; N643-N647 PolarHBondContact O-N 3.33Å
644Y76.2Confident76.6Confident136 Ų136109.6 Ų109.653%0.53352%0.516SS..Hα-helixtrans-65.7-45.1175.3-178.9-87.8000111.6Q640 L641 N647 R648Q640-Y644 VanDerWaalsContact O-CB 3.3Å; Q640-Y644 WeakPolarHBondContact O-CB 3.42Å; Q640-Y644 PolarHBondContact O-N 3.33Å; L641-Y644 PolarHBondContact O-N 3.3Å; Y644-N647 PolarHBondContact O-N 2.86Å; Y644-R648 WeakPolarHBondContact O-CB 3.34Å; Y644-R648 PolarHBondContact O-N 3.21Å
645V73.6Confident75.9Confident65 Ų65108.8 Ų108.839%0.39452%0.517SS..Hα-helixtrans-64-46.3175.7171.60000110.6L641 E642 N647 R648 N649L641-V645 WeakPolarHBondContact O-CG2 3.25Å; L641-V645 PolarHBondContact O-N 3.16Å; E642-V645 PolarHBondContact O-N 3.11Å; V645-N647 VanDerWaalsContact C-N 3.27Å; V645-N647 PolarHBondContact O-N 2.64Å; V645-R648 PolarHBondContact O-N 3.39Å; V645-N649 WeakPolarHBondContact O-CB 3.49Å; V645-N649 VanDerWaalsContact O-CG 3.25Å; V645-N649 PolarHBondContact O-N 3.48Å; V645-N649 PolarHBondContact O-OD1 3.16Å
646L72.7Confident75.3Confident107 Ų107109 Ų10956%0.5652%0.518SS*.Hα-helixtrans-60.6-37.4175.7-174.763.5000111.9E642 T650E642-L646 VanDerWaalsContact O-CB 3.24Å; E642-L646 WeakPolarHBondContact O-CB 3.48Å; E642-L646 PolarHBondContact O-N 3.16Å; L646-T650 VanDerWaalsContact O-CB 3.23Å; L646-T650 WeakPolarHBondContact O-CB 3.26Å; L646-T650 PolarHBondContact O-N 2.85Å; L646-T650 PolarHBondContact O-OG1 3.28Å
647N72.2Confident74.7Confident83 Ų83109.4 Ų109.444%0.44452%0.52SS..Hα-helixtrans-71.1-40.4175.1-172.7-61.5000112.3N643 Y644 V645 T650 R651N643-N647 WeakPolarHBondContact O-CB 3.4Å; N643-N647 PolarHBondContact O-N 3.33Å; Y644-N647 PolarHBondContact O-N 2.86Å; V645-N647 VanDerWaalsContact C-N 3.27Å; V645-N647 PolarHBondContact O-N 2.64Å; N647-T650 PolarHBondContact O-N 2.88Å; N647-R651 WeakPolarHBondContact O-CB 3.44Å; N647-R651 PolarHBondContact O-N 3.49Å; N647-R651 VanDerWaalsContact OD1-CZ 3.3Å; N647-R651 PolarHBondContact OD1-NE 2.87Å; N647-R651 PolarHBondContact OD1-NH2 3.5Å
648R76.3Confident74.1Confident142 Ų142108.5 Ų108.554%0.53652%0.519SS..Hα-helixtrans-61.6-46.6173.2-173175.6-179.5176.4-1110.3Y644 V645 R651 F652Y644-R648 WeakPolarHBondContact O-CB 3.34Å; Y644-R648 PolarHBondContact O-N 3.21Å; V645-R648 PolarHBondContact O-N 3.39Å; R648-R651 PolarHBondContact O-N 2.96Å; R648-F652 WeakPolarHBondContact O-CB 3.3Å; R648-F652 PolarHBondContact O-N 2.95Å
649N73.3Confident73.4Confident86 Ų86105.5 Ų105.546%0.4651%0.514SS..Hα-helixtrans-66.3-39.5177.2-67.3-4.2000111.7V645 R651 F652 L653V645-N649 WeakPolarHBondContact O-CB 3.49Å; V645-N649 VanDerWaalsContact O-CG 3.25Å; V645-N649 PolarHBondContact O-N 3.48Å; V645-N649 PolarHBondContact O-OD1 3.16Å; N649-R651 PolarHBondContact O-N 3.43Å; N649-F652 PolarHBondContact O-N 3.43Å; N649-L653 WeakPolarHBondContact O-CB 3.45Å; N649-L653 WeakPolarHBondContact O-CG 3.42Å; N649-L653 PolarHBondContact O-N 2.93Å
650T71.9Confident72.8Confident56 Ų56103.2 Ų103.234%0.34451%0.51SS..Hα-helixtrans-65-38173.6-61.50000111.9L646 N647 K654L646-T650 VanDerWaalsContact O-CB 3.23Å; L646-T650 WeakPolarHBondContact O-CB 3.26Å; L646-T650 PolarHBondContact O-N 2.85Å; L646-T650 PolarHBondContact O-OG1 3.28Å; N647-T650 PolarHBondContact O-N 2.88Å; T650-K654 HydrophobicContact CG2-CD 4.23Å; T650-K654 WeakPolarHBondContact O-CB 3.31Å; T650-K654 VanDerWaalsContact O-CG 3.25Å; T650-K654 WeakPolarHBondContact O-CG 3.3Å; T650-K654 PolarHBondContact O-N 3.48Å
651R68.9Low72.1Confident145 Ų145104.2 Ų104.255%0.54752%0.515SS..Hα-helixtrans-69.7-38.3173.2-82.9-172.9-81.4155.9-4.2112.1N647 R648 N649 K654 S655N647-R651 WeakPolarHBondContact O-CB 3.44Å; N647-R651 PolarHBondContact O-N 3.49Å; N647-R651 VanDerWaalsContact OD1-CZ 3.3Å; N647-R651 PolarHBondContact OD1-NE 2.87Å; N647-R651 PolarHBondContact OD1-NH2 3.5Å; R648-R651 PolarHBondContact O-N 2.96Å; N649-R651 PolarHBondContact O-N 3.43Å; R651-K654 PolarHBondContact O-N 3.4Å; R651-S655 WeakPolarHBondContact O-CB 3.37Å; R651-S655 PolarHBondContact O-N 3.45Å
652F70.6Confident71.1Confident143 Ų143102 Ų10263%0.62751%0.509SS*.Hα-helixtrans-64.6-48174.7-168.8-94.6000111.2R648 N649 K654 S655 M656R648-F652 WeakPolarHBondContact O-CB 3.3Å; R648-F652 PolarHBondContact O-N 2.95Å; N649-F652 PolarHBondContact O-N 3.43Å; F652-K654 PolarHBondContact O-N 3.38Å; F652-S655 CarbonylContact O-C 3.58Å; F652-S655 WeakPolarHBondContact O-CB 3.24Å; F652-S655 PolarHBondContact O-N 3.29Å; F652-S655 VanDerWaalsContact O-N 3.16Å; F652-M656 WeakPolarHBondContact O-CB 3.35Å; F652-M656 PolarHBondContact O-N 3.33Å
653L70.9Confident70.1Confident93 Ų93102.7 Ų102.749%0.48752%0.519SS..Hα-helixtrans-59.6-42.3174-73.9169.1000112.1N649 M656 L657N649-L653 WeakPolarHBondContact O-CB 3.45Å; N649-L653 WeakPolarHBondContact O-CG 3.42Å; N649-L653 PolarHBondContact O-N 2.93Å; L653-M656 HydrophobicContact CD2-CE 4.02Å; L653-M656 PolarHBondContact O-N 2.95Å; L653-L657 WeakPolarHBondContact O-CD1 3.43Å; L653-L657 PolarHBondContact O-N 3.15Å
654K70.1Confident69.2Low133 Ų133102.6 Ų102.658%0.57852%0.524SS*.Hα-helixtrans-63.7-42.2173.9-76.5173.8-179.7-179.90112.2T650 R651 F652 L657 I658T650-K654 HydrophobicContact CG2-CD 4.23Å; T650-K654 WeakPolarHBondContact O-CB 3.31Å; T650-K654 VanDerWaalsContact O-CG 3.25Å; T650-K654 WeakPolarHBondContact O-CG 3.3Å; T650-K654 PolarHBondContact O-N 3.48Å; R651-K654 PolarHBondContact O-N 3.4Å; F652-K654 PolarHBondContact O-N 3.38Å; K654-L657 PolarHBondContact O-N 3.22Å; K654-I658 WeakPolarHBondContact O-CB 3.1Å; K654-I658 WeakPolarHBondContact O-CD1 3.38Å; K654-I658 WeakPolarHBondContact O-CG1 3.33Å; K654-I658 PolarHBondContact O-N 3.49Å
655S70.1Confident68Low75 Ų7599.3 Ų99.352%0.52453%0.532SS..Hα-helixtrans-63.2-41.8174.8-175.20000111.7R651 F652 I658 S659R651-S655 WeakPolarHBondContact O-CB 3.37Å; R651-S655 PolarHBondContact O-N 3.45Å; F652-S655 CarbonylContact O-C 3.58Å; F652-S655 WeakPolarHBondContact O-CB 3.24Å; F652-S655 PolarHBondContact O-N 3.29Å; F652-S655 VanDerWaalsContact O-N 3.16Å; S655-I658 PolarHBondContact O-N 3.48Å; S655-S659 WeakPolarHBondContact O-CB 3.23Å; S655-S659 PolarHBondContact O-N 3.34Å
656M71.5Confident66.9Low83 Ų83106.5 Ų106.541%0.40955%0.552SS.*Hα-helixtrans-64.3-44.6176-167.2-178.278.200111.6F652 L653 I658 S659 I660F652-M656 WeakPolarHBondContact O-CB 3.35Å; F652-M656 PolarHBondContact O-N 3.33Å; L653-M656 HydrophobicContact CD2-CE 4.02Å; L653-M656 PolarHBondContact O-N 2.95Å; M656-I658 PolarHBondContact O-N 2.89Å; M656-S659 PolarHBondContact O-N 3.2Å; M656-I660 HydrophobicContact CE-CD1 4.35Å; M656-I660 HydrophobicContact CG-CD1 3.93Å; M656-I660 WeakPolarHBondContact O-CB 3.33Å; M656-I660 VanDerWaalsContact O-CG1 3.26Å; M656-I660 WeakPolarHBondContact O-CG1 3.43Å; M656-I660 PolarHBondContact O-N 2.93Å
657L71Confident65.1Low112 Ų112104.6 Ų104.659%0.58656%0.558SS**Hα-helixtrans-60.9-43.1172.9-96.481.3000111.9L653 K654 S659 H661L653-L657 WeakPolarHBondContact O-CD1 3.43Å; L653-L657 PolarHBondContact O-N 3.15Å; K654-L657 PolarHBondContact O-N 3.22Å; L657-S659 VanDerWaalsContact C-N 3.32Å; L657-S659 PolarHBondContact O-N 2.88Å; L657-H661 VanDerWaalsContact O-CB 3.23Å; L657-H661 WeakPolarHBondContact O-CB 3.38Å; L657-H661 PolarHBondContact O-N 3.4Å
658I71.3Confident63.7Low122 Ų122105.1 Ų105.163%0.62657%0.568SS**Hα-helixtrans-62.9-40.5176.2-70.4163.5000110.7K654 S655 M656 H661 S662K654-I658 WeakPolarHBondContact O-CB 3.1Å; K654-I658 WeakPolarHBondContact O-CD1 3.38Å; K654-I658 WeakPolarHBondContact O-CG1 3.33Å; K654-I658 PolarHBondContact O-N 3.49Å; S655-I658 PolarHBondContact O-N 3.48Å; M656-I658 PolarHBondContact O-N 2.89Å; I658-H661 PolarHBondContact O-N 2.75Å; I658-S662 WeakPolarHBondContact O-CB 3.25Å; I658-S662 PolarHBondContact O-N 3.41Å
659S68.5Low61.9Low69 Ų69107.8 Ų107.848%0.48358%0.584SS.*Hα-helixtrans-66.9-48.5177.8-165.20000111.8S655 M656 L657 H661 S662 V663S655-S659 WeakPolarHBondContact O-CB 3.23Å; S655-S659 PolarHBondContact O-N 3.34Å; M656-S659 PolarHBondContact O-N 3.2Å; L657-S659 VanDerWaalsContact C-N 3.32Å; L657-S659 PolarHBondContact O-N 2.88Å; S659-H661 VanDerWaalsContact C-N 3.3Å; S659-H661 PolarHBondContact O-N 2.86Å; S659-S662 WeakPolarHBondContact O-CA 3.47Å; S659-S662 WeakPolarHBondContact O-CB 3.36Å; S659-S662 PolarHBondContact O-N 2.91Å; S659-V663 WeakPolarHBondContact O-CG2 3.36Å; S659-V663 PolarHBondContact O-N 3.23Å
660I68Low60.3Low92 Ų92110.6 Ų110.647%0.47260%0.597SS.*Hα-helixtrans-57.9-43.4174.4-68.9164.7000110.7M656 S662 V663 C664M656-I660 HydrophobicContact CE-CD1 4.35Å; M656-I660 HydrophobicContact CG-CD1 3.93Å; M656-I660 WeakPolarHBondContact O-CB 3.33Å; M656-I660 VanDerWaalsContact O-CG1 3.26Å; M656-I660 WeakPolarHBondContact O-CG1 3.43Å; M656-I660 PolarHBondContact O-N 2.93Å; I660-S662 VanDerWaalsContact C-N 3.31Å; I660-S662 PolarHBondContact O-N 2.77Å; I660-V663 PolarHBondContact O-N 2.87Å; I660-C664 WeakPolarHBondContact O-CB 3.27Å; I660-C664 PolarHBondContact O-N 3.19Å
661H63.8Low58.6Low153 Ų153115.6 Ų115.671%0.70862%0.621SS**Hα-helixtrans-65.9-32.8176.1-166.7-106.1000112.4L657 I658 S659 G665L657-H661 VanDerWaalsContact O-CB 3.23Å; L657-H661 WeakPolarHBondContact O-CB 3.38Å; L657-H661 PolarHBondContact O-N 3.4Å; I658-H661 PolarHBondContact O-N 2.75Å; S659-H661 VanDerWaalsContact C-N 3.3Å; S659-H661 PolarHBondContact O-N 2.86Å; H661-G665 WeakPolarHBondContact O-CA 3.18Å; H661-G665 PolarHBondContact O-N 2.83Å
662S59.1Low57Low66 Ų66114.3 Ų114.346%0.46263%0.629SS.*Hα-helixtrans-71.3-37.8174.4-158.90000112.8I658 S659 I660 G665I658-S662 WeakPolarHBondContact O-CB 3.25Å; I658-S662 PolarHBondContact O-N 3.41Å; S659-S662 WeakPolarHBondContact O-CA 3.47Å; S659-S662 WeakPolarHBondContact O-CB 3.36Å; S659-S662 PolarHBondContact O-N 2.91Å; I660-S662 VanDerWaalsContact C-N 3.31Å; I660-S662 PolarHBondContact O-N 2.77Å; S662-G665 PolarHBondContact O-N 3.49Å
663V59Low55.6Low104 Ų104118 Ų11863%0.6364%0.639SS**Hα-helixtrans-68.2-50.2175.4173.10000110.7S659 I660 G665 R666S659-V663 WeakPolarHBondContact O-CG2 3.36Å; S659-V663 PolarHBondContact O-N 3.23Å; I660-V663 PolarHBondContact O-N 2.87Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 3.46Å; V663-R666 PolarHBondContact O-N 2.86Å
664C53.9Low53.9Low89 Ų89120.6 Ų120.660%0.60165%0.653SS**Hα-helixtrans-60.2-36.7173.3-73.80000112.1I660 R666 G667I660-C664 WeakPolarHBondContact O-CB 3.27Å; I660-C664 PolarHBondContact O-N 3.19Å; C664-R666 PolarHBondContact O-N 3.47Å; C664-R666 VanDerWaalsContact O-N 3.08Å; C664-G667 PolarHBondContact O-N 2.98Å; C664-G667 VanDerWaalsContact O-N 3.08Å
665G50.8Low52.3Low67 Ų67126 Ų12669%0.69167%0.67SS**THydrogen-bonded Turntrans-64.6-8.1177.800000115.6H661 S662 V663H661-G665 WeakPolarHBondContact O-CA 3.18Å; H661-G665 PolarHBondContact O-N 2.83Å; S662-G665 PolarHBondContact O-N 3.49Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 3.46Å
666R50.8Low50.5Low217 Ų217129.3 Ų129.382%0.81969%0.687SS**THydrogen-bonded Turntrans-108.2-9.3172.9-63.9-175.5-174.9-149.10.9113.7V663 C664 S668V663-R666 PolarHBondContact O-N 2.86Å; C664-R666 PolarHBondContact O-N 3.47Å; C664-R666 VanDerWaalsContact O-N 3.08Å; R666-S668 PolarHBondContact O-N 3.46Å
667G36.1Very low48.8Very low66 Ų66132.1 Ų132.168%0.6870%0.702SS**  trans-87.588.4176.900000111.9C664C664-G667 PolarHBondContact O-N 2.98Å; C664-G667 VanDerWaalsContact O-N 3.08Å
668S42.4Very low46.9Very low94 Ų94131.6 Ų131.666%0.65771%0.714SS**  trans-105.8127.5179.8-144.60000111.5R666R666-S668 PolarHBondContact O-N 3.46Å
669F38Very low45Very low198 Ų198133.5 Ų133.587%0.86873%0.725SS**  trans67.4143.8175.4-64.9-87000115.3
670I39.4Very low43.2Very low145 Ų145136.9 Ų136.974%0.74474%0.742SS**  cis-138.9129.22.4-56.7172.8000109.6
671L35.9Very low41.4Very low162 Ų162139.6 Ų139.685%0.84875%0.753SS**  trans-161.7109134.1-140.960000114.6
672T36.5Very low39.6Very low117 Ų117138.5 Ų138.572%0.71876%0.761SS**  trans33.182.4146.6-32.40000120.7
673R40.2Very low38.3Very low222 Ų222142.6 Ų142.684%0.83877%0.773SS**  38.596.8120-174.4-176.7-173.4156.92117.5
674N36.7Very low37Very low146 Ų146145.4 Ų145.478%0.78178%0.784SS**  174.992.4129.4-90.8-25.7000114.8
675R34.7Very low35.7Very low247 Ų247144.6 Ų144.693%0.93279%0.791SS**  175.6157.7127.9-96.1168.4180-172.3-0.4111.4
676V32.7Very low34.6Very low145 Ų145151.6 Ų151.688%0.87980%0.802SS**  trans-72142.2-163.3177.20000113.1
677I36.7Very low33.7Very low142 Ų142147.5 Ų147.573%0.72880%0.802SS**  trans-100.7141.3171.2-63.2169.8000109.4L679I677-L679 HydrophobicContact CG2-CB 4.38Å
678A30.6Very low33.3Very low100 Ų100154 Ų15483%0.82681%0.811SS**  trans-137.1100.916200000109.7
679L31.4Very low32.8Very low163 Ų163159.4 Ų159.485%0.85382%0.817SS**  trans-122.7112.8175.2-109.6169.7000107.9I677I677-L679 HydrophobicContact CG2-CB 4.38Å
680T29.8Very low32.3Very low139 Ų139155.4 Ų155.485%0.85381%0.809SS**  trans-104.6120.2-178.8-530000110.6
681H31.5Very low32.1Very low150 Ų150154.8 Ų154.869%0.69480%0.803SS**  trans-80.8143.1179.5177.3-93.7000111.6
682C25.7Very low31.9Very low129 Ų129158.5 Ų158.587%0.87281%0.806SS**  trans-148.9156.5165.1-152.30000111
683Q31.5Very low31.5Very low152 Ų152156.7 Ų156.771%0.7181%0.81SS**  trans-132.7158.8-137.2-163.4165.9-12.700115.3
684N32.6Very low31.1Very low163 Ų163153.5 Ų153.587%0.87281%0.808SS**  trans-43.3142.1-172.5-59.1-28000117.3
685G26.8Very low30.7Very low73 Ų73154.6 Ų154.675%0.75381%0.808SS**  trans-162.678.1177.500000118.7
686K27.7Very low30.5Very low213 Ų213149.2 Ų149.293%0.92680%0.803SS**  trans65.3126.6152-62.6173.2-179.41720120.4
687V31Very low30.1Very low132 Ų132150 Ų15080%0.880%0.799SS**  trans-73.8140.4166.2173.10000111.5
688K27.6Very low29.6Very low203 Ų203152.7 Ų152.788%0.88380%0.8SS**  trans-137.5104149-92-167.4173.3-176.70111
689R31.2Very low29.4Very low206 Ų206154 Ų15478%0.77780%0.797SS**  trans-71.9124.2166.9175.9179.6178.9159.7-3.2108.3E691R689-E691 IonicContact CZ-OE1 3.91Å; R689-E691 IonicContact NE-OE1 2.85Å; R689-E691 PolarHBondContact NE-OE1 2.8Å; R689-E691 IonicContact NH2-OE1 2.68Å; R689-E691 PolarHBondContact NH2-OE1 3.12Å
690T29Very low29.1Very low115 Ų115150.9 Ų150.971%0.70678%0.781SS**  trans-134.9114.5171.2-45.40000108.4
691E34Very low28.8Very low131 Ų131152.6 Ų152.661%0.61278%0.784SS**  trans-88.2136.7178.3-70.3163-174.800110.6R689R689-E691 IonicContact CZ-OE1 3.91Å; R689-E691 IonicContact NE-OE1 2.85Å; R689-E691 PolarHBondContact NE-OE1 2.8Å; R689-E691 IonicContact NH2-OE1 2.68Å; R689-E691 PolarHBondContact NH2-OE1 3.12Å
692R31.3Very low28.6Very low241 Ų241155.2 Ų155.291%0.90979%0.79SS**  trans-177142.2148.7-112.5176.5-72.1-173.8-1.2112.9
693G28.2Very low28.6Very low78 Ų78159.2 Ų159.280%0.80479%0.792SS**  trans90.9100.714700000117.4
694I33.5Very low28.4Very low156 Ų156157.7 Ų157.780%0.880%0.798SS**  trans-77.8129.7158.3-62.1164.9000108.5
695Q27.5Very low28Very low168 Ų168153.1 Ų153.179%0.78579%0.79SS**  trans-147.1126.9144.6-85-57.2-5.400109.9
696V29.3Very low28.3Very low135 Ų135157.6 Ų157.682%0.81880%0.796SS**  trans-101.3111.6169.3175.30000107.2
697M26Very low28.2Very low160 Ų160150.1 Ų150.179%0.78878%0.78SS**  trans-111.9121.9179.4-159.2172.7-64.800111.1
698R25Very low27.9Very low200 Ų200155.3 Ų155.376%0.75579%0.787SS**  trans-56136.2171.9174.2-174.2-68.4121.8-2.2110.4D700R698-D700 WeakPolarHBondContact CD-OD1 3.44Å
699V27Very low27.9Very low128 Ų128155.2 Ų155.278%0.77679%0.786SS**  trans-127.2114.7165179.50000107.9
700D24.5Very low27.6Very low97 Ų97153.5 Ų153.552%0.51979%0.791SS.*  trans-84.6132.6-177.9-55.4-86.5000111.4R698 Y702R698-D700 WeakPolarHBondContact CD-OD1 3.44Å; D700-Y702 HydrophobicContact CB-CD2 3.76Å; D700-Y702 HydrophobicContact CB-CE2 3.71Å; D700-Y702 PolarHBondContact O-N 3.25Å
701L24.8Very low27.3Very low174 Ų174153 Ų15391%0.91179%0.792SS**  trans-95.977.4174.1-121.677000111.1K703L701-K703 PolarHBondContact O-N 2.81Å
702Y26.8Very low28Very low206 Ų206152.6 Ų152.681%0.80880%0.801SS**  trans-76.4116.7170.2-80-85.5000110.9D700 S704D700-Y702 HydrophobicContact CB-CD2 3.76Å; D700-Y702 HydrophobicContact CB-CE2 3.71Å; D700-Y702 PolarHBondContact O-N 3.25Å; Y702-S704 PolarHBondContact O-N 2.8Å
703K25.8Very low27.7Very low213 Ų213146.8 Ų146.893%0.92680%0.797SS**  trans-79.8109.8175.6-165.9173.9-176.7179.30109.5L701L701-K703 PolarHBondContact O-N 2.81Å
704S27.4Very low27.7Very low120 Ų120148.4 Ų148.484%0.83980%0.796SS**  trans-79.5149.2-175.2-171.80000113.2Y702Y702-S704 PolarHBondContact O-N 2.8Å
705G24.8Very low27.5Very low67 Ų67148.3 Ų148.369%0.69179%0.793SS**  trans-153.190.1176.600000112.2
706N31.4Very low27.5Very low166 Ų166148.4 Ų148.489%0.88879%0.79SS**  trans30.5129.6159.1-57.2-16.3000120.3
707G26.3Very low27.7Very low57 Ų57146 Ų14659%0.58878%0.784SS**  cis148.1156.50.300000112.4
708Y25.4Very low28.1Very low241 Ų241145 Ų14595%0.94579%0.787SS**  trans-138.8144.8177.8-47.5-73.9000110.4
709K26Very low29.2Very low200 Ų200141 Ų14187%0.8779%0.787SS**  trans-136.2108.5-175.3-176.7-172.6-177-1760110.7
710I24.7Very low29.4Very low171 Ų171139.9 Ų139.988%0.87779%0.791SS**  trans-147.8149.4166.5-93.8149.4000108.3
711S23.4Very low29.6Very low105 Ų105138.7 Ų138.773%0.73480%0.802SS**  trans-162.5-178.1-175.5-55.40000108.3
712P49.6Very low30.4Very low122 Ų122136.6 Ų136.679%0.79280%0.798SS**  -134.9171.5-59.839.2-24.4000113.6
713S24.9Very low30.4Very low118 Ų118137.6 Ų137.683%0.82580%0.801SS**  trans-178.9155.9160.444.20000108.4
714S28.9Very low30.6Very low113 Ų113134.7 Ų134.779%0.7979%0.793SS**  cis-171.7160824.40000107.2
715E28.1Very low31.2Very low154 Ų154134.8 Ų134.872%0.7279%0.79SS**  cis-169.2172.7-6-169-142.7143.200107.8
716K28.6Very low31.4Very low170 Ų170136.6 Ų136.674%0.73979%0.788SS**  trans74145.6164.3-54.6-175.5-176.8179.20119.8
717A31.6Very low31.3Very low84 Ų84134.2 Ų134.269%0.69478%0.784SS**  cis-165.3126.1-26.200000112.1
718V34.6Very low31.3Very low140 Ų140135 Ų13585%0.84879%0.793SS**  trans54.3139.3132.7173.30000119.9
719P48.1Very low31.4Very low115 Ų115128.5 Ų128.575%0.74778%0.782SS**  cis-130.7174.823.430.9-8.9000117.9
720A32.6Very low31.5Very low104 Ų104127.2 Ų127.286%0.8678%0.784SS**  trans30.7139.5155.600000121
721G27.6Very low31.5Very low72 Ų72123 Ų12374%0.74278%0.783SS**  cis122.1148.523.500000109.2
722P41.8Very low31.7Very low130 Ų130124.6 Ų124.684%0.84479%0.788SS**  cis-126.1-176.226.243-29.5000117
723R26.3Very low30.8Very low227 Ų227126.7 Ų126.786%0.85779%0.791SS**  trans-47.4159.7176.3-56167.2167.3170.9-5.8115.3
724M30.4Very low31Very low153 Ų153126.7 Ų126.775%0.75479%0.792SS**  cis65.7153.539-59.4-64.9-91.100112.6T726M724-T726 VanDerWaalsContact CE-OG1 3.27Å; M724-T726 WeakPolarHBondContact CE-OG1 3.38Å
725P40.3Very low30.9Very low121 Ų121125.8 Ų125.879%0.78679%0.791SS**  cis-116.1172.423.219.54.9000115.2
726T28.7Very low30.8Very low105 Ų105127.4 Ų127.464%0.64480%0.798SS**  cis105.9145.324.1-420000113.9M724M724-T726 VanDerWaalsContact CE-OG1 3.27Å; M724-T726 WeakPolarHBondContact CE-OG1 3.38Å
727S30.4Very low30.8Very low117 Ų117125.1 Ų125.182%0.81880%0.804SS**  trans-75.3160.7-17155.20000117.9
728G26.3Very low30.6Very low74 Ų74130 Ų13076%0.76381%0.812SS**  trans133.7152.6159.300000112.7
729S25.9Very low30.6Very low104 Ų104128.9 Ų128.973%0.72781%0.808SS**  cis-164.6171.8-11.3-159.80000109.5
730L28Very low29.6Very low172 Ų172131.9 Ų131.990%0.90181%0.812SS**  trans32.6120.5155.9-67.7160.5000120.1
731G26.4Very low30Very low83 Ų83132.2 Ų132.286%0.85681%0.806SS**  trans-168.1117.5166.400000114.4
732V27.7Very low29.9Very low138 Ų138134.2 Ų134.284%0.83681%0.808SS**  trans-96.5146.6-178.5-169.40000110.4
733L28.6Very low29.5Very low166 Ų166132.2 Ų132.287%0.86980%0.803SS**  trans146.4161.9136.9-77.4172.8000115.7
734S29.4Very low30.1Very low119 Ų119127.6 Ų127.683%0.83280%0.802SS**  trans-107.7150.2-158.9-38.90000115.2
735A27.7Very low30Very low94 Ų94125.1 Ų125.178%0.77780%0.8SS**  trans-166.9127.7146.500000107.2
736Q26.6Very low29.5Very low187 Ų187125 Ų12587%0.87479%0.793SS**  cis77.597.846-168.4179.93.400114.6
737S27.5Very low29.6Very low123 Ų123127.5 Ų127.586%0.8680%0.797SS**  trans-174.4146.7137.528.30000113.2
738Q27.5Very low29.7Very low185 Ų185130.6 Ų130.686%0.86480%0.798SS**  trans-81.9176.8163.8-86.5178.1-79.600109.8
739P35.5Very low29.9Very low117 Ų117135.9 Ų135.976%0.7680%0.8SS**  cis-146.6-179.623.545.5-25.6000118.7
740Q26.9Very low30.1Very low178 Ų178133.9 Ų133.983%0.83280%0.796SS**  trans-99.2166.5151.8-118.1-15813.300108.3
741P41.2Very low31Very low112 Ų112131.9 Ų131.973%0.72779%0.793SS**  cis-128.8-1543432.6-7.3000111
742S24.8Very low31.3Very low113 Ų113132 Ų13279%0.7979%0.786SS**  cis-165.2161.927.352.50000114.1
743A33.6Very low31.4Very low88 Ų88137.1 Ų137.173%0.72779%0.791SS**  trans-98175.8165.400000110.7
744P39.1Very low31.6Very low131 Ų131133 Ų13385%0.85179%0.788SS**  -146.6176.610140.2-25.7000116.5
745S27.6Very low32.5Very low100 Ų100133 Ų13370%0.69979%0.786SS**  trans-70.4-178.2165.9-143.40000111.1
746N29.4Very low33.2Very low119 Ų119134.7 Ų134.764%0.63679%0.788SS**  cis-169.5164.931.4-142.3-31.2000114.2
747Q30.9Very low33.5Very low157 Ų157134.8 Ų134.873%0.73479%0.791SS**  trans26134.3150.1-84.6166.179.700123.6
748Q32.4Very low33.8Very low182 Ų182136 Ų13685%0.8578%0.783SS**  165.1157.3120.9-90-17944.900110
749K31Very low33.9Very low185 Ų185139.1 Ų139.180%0.80479%0.787SS**  cis-170.1141.6-22.6-175.4178.7179-178.90107.6
750G30.8Very low33.7Very low62 Ų62140.1 Ų140.164%0.63978%0.782SS**  trans-74.2172.1173.300000113.4
751P46.4Very low33.9Very low130 Ų130137.9 Ų137.984%0.84478%0.779SS**  -157.1174.257.243.7-23.1000120.1
752A31.8Very low33.3Very low85 Ų85137.9 Ų137.970%0.70277%0.774SS**  trans69.5119138.500000126.2
753R31.3Very low33.6Very low247 Ų247138.2 Ų138.293%0.93277%0.766SS**  70.695.4128.3-66.3-176.4173.5-165.1-1.5123.8
754G32.4Very low33.3Very low79 Ų79141.9 Ų141.981%0.81477%0.768SS**  54.2-174.5128.500000121.8
755P47.8Very low32.9Very low120 Ų120142.1 Ų142.178%0.77976%0.757SS**  cis-118.8173.9-13.941.7-29000113.6
756P42.1Very low33.1Very low128 Ų128145.2 Ų145.283%0.83176%0.761SS**  trans-80.2150.4167.933.5-34.5000112.2
757M33Very low34.1Very low189 Ų189144.3 Ų144.393%0.93176%0.761SS**  trans-110.9155.3176.1-137.4-162.598.200113.2
758Q34.3Very low34Very low148 Ų148144.4 Ų144.469%0.69277%0.765SS**  trans-108.8154.3-166.2-177.4-174.736.900111.8
759R28.9Very low33.8Very low252 Ų252140.9 Ų140.995%0.95176%0.761SS**  trans-139153.9149.7-154.7166.7-176.4121.12.2110.8
760Q31.5Very low34Very low138 Ų138139.5 Ų139.565%0.64576%0.762SS**  trans-147.8154-154.3176.7-169.813.100109.9
761V30.9Very low34Very low130 Ų130143.1 Ų143.179%0.78877%0.772SS**  trans169.9113.2144.9146.10000107.4
762N29.6Very low33.3Very low113 Ų113143.9 Ų143.960%0.60477%0.769SS**  74135.386.1-112.1-122.7000113.4
763L30.2Very low33.2Very low119 Ų119148.8 Ų148.862%0.62378%0.775SS**  cis-164.1-176.62.1-164.958.2000111.3
764Q28.8Very low33.1Very low165 Ų165143.2 Ų143.277%0.77176%0.763SS**  trans90.3114.8158.9-133.1155.989.800115.2
765Q30.6Very low32.9Very low136 Ų136146.6 Ų146.664%0.63676%0.762SS**  70.5135.854.6-62.8174.447.700112.9
766H30.2Very low32.3Very low165 Ų165146.7 Ų146.776%0.76476%0.761SS**  cis-153.4-178.93.9-111.3-49.1000110.1
767P50.9Low31.9Very low101 Ų101148.8 Ų148.866%0.65676%0.759SS**  trans-104.6-177.7-170.240.2-35.1000115.1
768I29.8Very low31.8Very low158 Ų158144.8 Ų144.881%0.8174%0.742SS**  trans163.4139.3135.6-86.4159000115.4
769S26.6Very low31.7Very low108 Ų108145.7 Ų145.776%0.75575%0.746SS**  trans37.3144.9154.2-59.90000126.7
770N35.5Very low31.8Very low157 Ų157142.7 Ų142.784%0.8474%0.74SS**  trans-65.1164151.6-64-38.4000112.3
771T31.6Very low31.7Very low138 Ų138140.2 Ų140.285%0.84774%0.738SS**  trans-151.5132.9157.3-64.30000110.3
772D31.3Very low31.9Very low146 Ų146145.3 Ų145.378%0.78174%0.743SS**  trans-69.2164.7-179.2-49.1-108000113.8
773K30.5Very low32.5Very low188 Ų188147.3 Ų147.382%0.81775%0.749SS**  -171.1152.2113-105.5-166.5167.4-171.90117.5
774D29.6Very low32.7Very low130 Ų130149.6 Ų149.670%0.69576%0.761SS**  trans-4.4143.8153.7-57.2-70.8000118.3
775N27.3Very low33.1Very low149 Ų149148.1 Ų148.180%0.79776%0.763SS**  -164164.761.6-166.219.5000114.3
776T35.5Very low33.5Very low123 Ų123152.3 Ų152.376%0.75577%0.773SS**  trans-98.5149.7179.648.60000113.8
777H32.9Very low33.9Very low171 Ų171149.2 Ų149.279%0.79277%0.768SS**  trans-165.2167.1141.4-15017.6000113.6
778D31.2Very low33.4Very low105 Ų105149.5 Ų149.556%0.56177%0.769SS**  trans-29.9167.4164.8-79.8-122000119.2
779Q32.3Very low34.4Very low168 Ų168146.9 Ų146.979%0.78576%0.763SS**  cis-153.3174.919.3-148.5147.275.600114.6
780F30.8Very low34.9Very low189 Ų189148.4 Ų148.483%0.82976%0.763SS**  trans-67.2158.3171.2-83.1-105.5000114.9
781S29.1Very low34.9Very low86 Ų86151.4 Ų151.460%0.60176%0.764SS**  trans69.9110.9152.7-61.10000120
782R35.7Very low34.9Very low236 Ų236153.7 Ų153.789%0.89176%0.762SS**  -166.515099.5-109.7173.5-71.4-143.91.7114.8
783H43.1Very low35.1Very low156 Ų156155.6 Ų155.672%0.72277%0.766SS**  trans-95.6162.7168.2-2.7-86.8000109.7
784L33.9Very low35.1Very low167 Ų167151.7 Ų151.787%0.87476%0.762SS**  trans61.499.8175.2-57.1173.4000116.1
785T37.6Very low35.3Very low133 Ų133156.7 Ų156.782%0.81677%0.771SS**  -178.5130.3118.9-72.80000108.7P787T785-P787 WeakPolarHBondContact O-CD 3.47Å
786R37.4Very low35.6Very low224 Ų224154.4 Ų154.485%0.84577%0.767SS**  trans-90.2113.3170175.8-174.4-174.9-169.66108.5
787P39.4Very low35.7Very low101 Ų101156 Ų15666%0.65677%0.77SS**PPolyproline II helixtrans-67.1144.2162.3-12.528.9000109.3T785T785-P787 WeakPolarHBondContact O-CD 3.47Å
788P40.1Very low35.7Very low106 Ų106153.8 Ų153.869%0.68877%0.769SS**PPolyproline II helixtrans-69.5157.1166.132.4-34.6000110.3
789P50.8Low35.5Very low104 Ų104151.9 Ų151.968%0.67577%0.774SS**PPolyproline II helixtrans-63139.3166.428.4-34000110.5Y791P789-Y791 PolarHBondContact O-N 3.31Å; P789-Y791 VanDerWaalsContact O-N 3.12Å
790D37.6Very low35.4Very low140 Ų140151 Ų15175%0.74977%0.773SS**  trans-63.3108.2-176.1-93.7-82.6000113
791Y35.2Very low35.2Very low219 Ų219149.6 Ų149.686%0.85977%0.769SS**  trans-91.2105.2155-89.3-84.9000109.5P789P789-Y791 PolarHBondContact O-N 3.31Å; P789-Y791 VanDerWaalsContact O-N 3.12Å
792K32Very low35.1Very low186 Ų186153.4 Ų153.481%0.80978%0.777SS**  trans-105.877.8167.5-70.7-151.3173.9179.30113
793Q34.4Very low34.5Very low186 Ų186145.8 Ų145.887%0.86977%0.765SS**  trans-61.5134.3160.6178-169.72600111.8
794S32.1Very low33.9Very low106 Ų106145.8 Ų145.874%0.74177%0.77SS**  trans-170.1156.8145.264.80000108.4
795R32.6Very low33.6Very low235 Ų235145.7 Ų145.789%0.88777%0.769SS**  cis-144.5155.211.3179.4178-71.6-112.30.9109.7
796S33.3Very low33.3Very low101 Ų101148.8 Ų148.871%0.70677%0.771SS**  trans-113.2149170.6176.30000110.8
797L37.8Very low34Very low156 Ų156142.9 Ų142.982%0.81776%0.762SS**  trans162.9143.9139.8-87.2158.7000111.4
798V33.3Very low33.3Very low126 Ų126144.5 Ų144.576%0.76477%0.765SS**  trans31.9130.3149.7-172.20000118.7
799G27.3Very low32.8Very low65 Ų65146.7 Ų146.767%0.6776%0.764SS**  cis123.2155.717.600000111.8
800I30.3Very low31.8Very low148 Ų148150.7 Ų150.776%0.75977%0.767SS**  trans87.3122.7165.7-55.9179.7000119
801Q27.2Very low31.6Very low161 Ų161149.6 Ų149.675%0.75277%0.765SS**  trans63.8152.2162.4-71.9176.86900117.7
802Q25.1Very low31.4Very low165 Ų165144 Ų14477%0.77176%0.758SS**  cis-152.6176.4-3.2-130-172.484.700107.5
803A24.6Very low31.2Very low77 Ų77142.6 Ų142.664%0.63676%0.759SS**  cis-152.7-155.84.100000110.8
804N29.1Very low30.9Very low155 Ų155136.6 Ų136.683%0.82975%0.747SS**  trans-103.1172.4168-77.6-39.5000111.8
805I28.4Very low30.7Very low166 Ų166141.3 Ų141.385%0.85176%0.757SS**  trans133114.9143.8-67.8161.4000114.9
806F31.3Very low30.5Very low197 Ų197137.1 Ų137.186%0.86475%0.752SS**  trans-86.6171.1157.3-90.5-89.8000109.2
807P52.5Low30.9Very low100 Ų100138.3 Ų138.365%0.64976%0.757SS**  cis-145.1-172.227.239.5-16.6000116.5
808D24.1Very low30.6Very low136 Ų136134.9 Ų134.973%0.72775%0.752SS**  trans163.6147131.9-90.5-0.8000112.2
809F29.4Very low30.2Very low151 Ų151138.3 Ų138.366%0.66276%0.759SS**  cis-164.4131.2-22.6-153.4-113.7000111.1
810Y29.4Very low30.6Very low189 Ų189140.4 Ų140.474%0.74176%0.764SS**  trans61.7163.7156.8-84.9-133.7000119.7
811V33.2Very low30.8Very low116 Ų116139.5 Ų139.570%0.70377%0.767SS**  cis-171.1159.3-32.377.40000106.3
812S30.9Very low31.1Very low101 Ų101138.9 Ų138.971%0.70677%0.769SS**  cis-124.9-133.35-155.10000109.1
813L29.5Very low31.2Very low158 Ų158138.8 Ų138.883%0.82777%0.774SS**  cis-150139.5-0.1-166.164.4000105.5
814G27.7Very low31.1Very low60 Ų60138.2 Ų138.262%0.61978%0.776SS**  74.4119.671.100000112.1
815Q26.9Very low32Very low204 Ų204136 Ų13695%0.95377%0.77SS**  cis-150.3173.66.5-68175.3-45.600111.7
816N30Very low32.1Very low147 Ų147134.3 Ų134.379%0.78676%0.762SS**  trans-124.2152.7172.9-144.2-35.2000107.6
817P40.3Very low32Very low126 Ų126130.3 Ų130.382%0.81875%0.75SS**  -155.1-176.49540.8-21.6000115.7
818A31.2Very low30.7Very low84 Ų84132.2 Ų132.269%0.69476%0.755SS**  trans-103.216417700000113.7
819Q26Very low31.1Very low198 Ų198131.8 Ų131.893%0.92575%0.752SS**  trans-178151.8139.8-102.9162.934.900113.4
820S35.3Very low31.1Very low110 Ų110132.4 Ų132.477%0.76976%0.757SS**  trans-88.2153.5161-43.10000108.6
821P35.7Very low31Very low128 Ų128128.4 Ų128.483%0.83176%0.756SS**  -150.1-160.963.541.8-20.6000115
822N32.9Very low30.8Very low148 Ų148130 Ų13079%0.79176%0.76SS**  trans-55.6142.3173.5-72.5-35.9000113.8
823N26.7Very low30.5Very low163 Ų163131 Ų13187%0.87277%0.766SS**  -175.4157.3119-92.8-29.3000111.4
824G23.4Very low30.3Very low65 Ų65128.4 Ų128.467%0.6776%0.76SS**  trans-90.2-155.515700000110.5
825P46.8Very low30.2Very low108 Ų108134.6 Ų134.670%0.70177%0.773SS**  cis-141.3-164.84.941.5-20.6000113.7
826D30.3Very low30.1Very low131 Ų131132.1 Ų132.170%0.70177%0.766SS**  trans65.7154.4141.7-74.212.6000121.9
827N30.2Very low29.8Very low114 Ų114130.3 Ų130.361%0.6177%0.765SS**  cis-166.6174.8-28.6-117.2-30.1000109.9
828N25.8Very low29.2Very low139 Ų139130 Ų13074%0.74377%0.766SS**  trans129.1119.5154.9-77.9-81.4000111.9
829L31.2Very low29.3Very low128 Ų128129.2 Ų129.267%0.6777%0.766SS**SBendcis-149.3137.6-8.4-83.5167.4000109
830Q30.8Very low29.8Very low164 Ų164125.2 Ų125.277%0.76676%0.757SS**  -177132.5111.6-129.473.263.600111.1
831S25.5Very low29.3Very low104 Ų104125.7 Ų125.773%0.72776%0.755SS**  trans-36.4136.6178.1-36.40000116
832I30.3Very low28.9Very low150 Ų150124.3 Ų124.377%0.76975%0.749SS**  cis73.7108.230.4-45.6174000115.4
833S23.6Very low28.4Very low121 Ų121126.3 Ų126.385%0.84675%0.75SS**  trans-163.1156.5143.8-167.70000109.9
834C24.9Very low28.6Very low104 Ų104126.7 Ų126.770%0.70375%0.749SS**  trans-127.7157.2-171.8-53.70000111.4
835Q26Very low28.9Very low190 Ų190128.5 Ų128.589%0.88875%0.751SS**  trans-176.4-175.3134.7-104.3174.667.800114.8
836L26.1Very low28.5Very low152 Ų152129.1 Ų129.180%0.79676%0.755SS**  trans-89.7161.6-158.7-68.771000115.1
837S23.8Very low29.1Very low110 Ų110130.2 Ų130.277%0.76976%0.76SS**  trans33.8117.9137.7-170.50000120.4
838S26.8Very low30.2Very low120 Ų120130 Ų13084%0.83977%0.765SS**  trans-161.6119138.9-81.40000111.6
839G33.1Very low30.6Very low67 Ų67128.7 Ų128.769%0.69177%0.767SS**  trans-86.2156.9146.800000108.7
840P37.3Very low30.7Very low114 Ų114128.2 Ų128.274%0.7477%0.765SS**  -153.2168.698.139.7-22.3000117
841T24.7Very low31Very low119 Ų119130.1 Ų130.173%0.7377%0.765SS**  trans47.9112.1146.752.90000122
842S26.3Very low31.4Very low100 Ų100136.6 Ų136.670%0.69977%0.774SS**  33.7136.7105.5-74.30000121.3
843K23.7Very low31.4Very low189 Ų189139.2 Ų139.282%0.82278%0.78SS**  trans77.8154.6165-57159.8-175.61770113.4
844M29.8Very low31.7Very low171 Ų171136.9 Ų136.984%0.84278%0.775SS**  cis-150.3153.113.7-136.7142.58500112.2
845S30.9Very low31.9Very low103 Ų103139.6 Ų139.672%0.7278%0.781SS**  trans-81.3168.8150.9-39.20000109
846P38.4Very low32.2Very low122 Ų122139.8 Ų139.879%0.79277%0.773SS**  cis-140.2-155.48.743.9-23.3000114.5
847L42.2Very low33.1Very low153 Ų153137.7 Ų137.780%0.80177%0.769SS**  trans-37.5172.3161.2-100.572.5000117.3
848P52.5Low33.4Very low109 Ų109137.7 Ų137.771%0.70876%0.76SS**  cis-144.6-1763041.9-21.4000119.7
849S35.2Very low33.3Very low113 Ų113138 Ų13879%0.7976%0.761SS**  trans81.9135.8156.1-60.30000118.7
850D33.2Very low33.1Very low118 Ų118143.8 Ų143.863%0.63177%0.769SS**  cis-155.1157.6-4.5-162.48.4000112.5
851R36.5Very low33.6Very low204 Ų204143.7 Ų143.777%0.7777%0.769SS**  trans46.4127.1161.9-77162.2-139.7-112.6-1.7119.9
852R34.6Very low33.6Very low239 Ų239143 Ų14390%0.90277%0.769SS**  cis-152.9163.431.9-68.5-170.9-106.3-115.6-4.2113.9
853F30.2Very low33.8Very low206 Ų206143.5 Ų143.590%0.90477%0.772SS**  trans-82.9175174.6-55.9-94.8000112
854G29.4Very low33.9Very low71 Ų71139.4 Ų139.473%0.73277%0.766SS**  cis156.6167.38.100000107.6
855I29.2Very low33.8Very low161 Ų161139.5 Ų139.583%0.82677%0.769SS**  cis-154.415322-76.6174.7000109.7
856R31.9Very low33.7Very low194 Ų194138 Ų13873%0.73277%0.77SS**  trans-119.4144.4156.2-172.1-140.4175.1146.4-0.9106.7D858R856-D858 IonicContact CZ-OD1 3.54Å; R856-D858 IonicContact CZ-OD2 2.77Å; R856-D858 IonicContact NE-OD1 2.83Å; R856-D858 IonicContact NE-OD2 2.75Å; R856-D858 PolarHBondContact NE-OD2 2.86Å; R856-D858 IonicContact NH2-OD1 3.17Å; R856-D858 PolarHBondContact NH2-OD1 3.41Å; R856-D858 IonicContact NH2-OD2 3.56Å; R856-D858 PolarHBondContact NH2-OD2 3.5Å
857P44.8Very low33.3Very low109 Ų109140 Ų14071%0.70877%0.768SS**  -152.5171.2107.239.2-21.4000115.8
858D31.4Very low32.6Very low110 Ų110141 Ų14159%0.58877%0.766SS**  trans-82.4173.9170.2-35.8-106.6000111.5R856R856-D858 IonicContact CZ-OD1 3.54Å; R856-D858 IonicContact CZ-OD2 2.77Å; R856-D858 IonicContact NE-OD1 2.83Å; R856-D858 IonicContact NE-OD2 2.75Å; R856-D858 PolarHBondContact NE-OD2 2.86Å; R856-D858 IonicContact NH2-OD1 3.17Å; R856-D858 PolarHBondContact NH2-OD1 3.41Å; R856-D858 IonicContact NH2-OD2 3.56Å; R856-D858 PolarHBondContact NH2-OD2 3.5Å
859C24.8Very low31.4Very low125 Ų125143 Ų14385%0.84577%0.766SS**  trans-154.3117.6174.5-135.50000116.7
860H27.2Very low31.2Very low189 Ų189145.4 Ų145.488%0.87577%0.765SS**  trans-156.7154.5159.4-74.4-60.3000106.8
861P48.4Very low30.9Very low112 Ų112149.2 Ų149.273%0.72778%0.779SS**  cis-128.2-163.4-25.235.3-15.1000112.1
862S25.2Very low30.5Very low106 Ų106145.4 Ų145.474%0.74177%0.774SS**  trans91104.8155.4-490000121.9
863S29.3Very low30.2Very low109 Ų109139.5 Ų139.576%0.76277%0.769SS**  76.6131.3123.5-1530000124.9
864C26.7Very low30.3Very low103 Ų103137.7 Ų137.770%0.69676%0.763SS**  trans68.2125.5139.666.50000126.4
865I28.9Very low30.2Very low174 Ų174137.9 Ų137.989%0.89277%0.765SS**  trans84.8143.7140.2-99.765.9000121.4
866G28.5Very low30.2Very low72 Ų72141 Ų14174%0.74277%0.767SS**  trans89121172.800000114.8
867Q28.9Very low30.2Very low163 Ų163138.8 Ų138.876%0.76277%0.768SS**  cis111132.812.4-158.2-172.31100113.6
868F28Very low29.5Very low174 Ų174137.1 Ų137.176%0.76377%0.771SS**  trans66.1136.9-174.1-54.6-77.8000114.9
869Q26.8Very low29.5Very low151 Ų151140.1 Ų140.171%0.70679%0.786SS**  cis98.2113.620.2-172.1164.4-16.900115.5
870Q30.6Very low29.6Very low164 Ų164140 Ų14077%0.76679%0.786SS**  trans52.3126.9161.1-74172.1-56.900119.5
871Q27.6Very low29.6Very low198 Ų198139.2 Ų139.293%0.92578%0.783SS**  -157170.4107.6-110.3-178.32800112.7
872N28.3Very low28.5Very low124 Ų124138.9 Ų138.966%0.66378%0.784SS**  trans-154.9124.6-170.5170.8-0.3000110H874N872-H874 PolarHBondContact OD1-CE1 2.82Å; N872-H874 PolarHBondContact OD1-ND1 2.82Å
873S27.5Very low28.7Very low114 Ų114143.3 Ų143.380%0.79779%0.789SS**  trans-150119.7163.145.20000108.4
874H33Very low29.9Very low169 Ų169143.2 Ų143.278%0.78279%0.786SS**  cis97.2118.841.9-84.772.7000114.3N872N872-H874 PolarHBondContact OD1-CE1 2.82Å; N872-H874 PolarHBondContact OD1-ND1 2.82Å
875G27.9Very low29.9Very low75 Ų75149.3 Ų149.377%0.77379%0.794SS**  trans159.1124.1172.400000109
876R29.1Very low29.9Very low226 Ų226150 Ų15085%0.85379%0.792SS**  cis-148.7146.34.3-117.8-175.7159.9-152.8-2.1110
877I31Very low29.9Very low147 Ų147154.8 Ų154.875%0.75480%0.799SS**  trans48.3116.3144.7-54.9163.4000118.7
878G30.2Very low30Very low75 Ų75150.9 Ų150.977%0.77380%0.795SS**  trans-174.9131.9161.600000110.2
879L31.8Very low30.6Very low172 Ų172149 Ų14990%0.90180%0.8SS**  trans-106.5163.7-167.3-78.9171.2000114.7
880S26.3Very low30.6Very low123 Ų123144.5 Ų144.586%0.8679%0.794SS**  trans100.4167.1152.682.20000118.7
881Q27.5Very low30.6Very low173 Ų173143 Ų14381%0.80880%0.796SS**  trans-114.7178.7-148-56.6-179.28.500114.2
882S25.7Very low30.7Very low105 Ų105143.1 Ų143.173%0.73480%0.797SS**  trans73.4109.613959.60000120.6
883K28.9Very low30.7Very low198 Ų198140.6 Ų140.686%0.86180%0.8SS**  trans-52.4170.5136.4-67.7172.9175.8174.80111.1
884P55.8Low30.7Very low107 Ų107144.8 Ų144.870%0.69580%0.804SS**  cis-136.2174.5-38.438.4-23.9000112.2
885R26Very low30.5Very low231 Ų231141.4 Ų141.487%0.87280%0.799SS**  trans-157.6154146-152.8141.5-69.6-173.1-2.9114.9
886F27.8Very low30.4Very low190 Ų190147.5 Ų147.583%0.83380%0.804SS**  trans-52.6151.2169.6-70-111.9000113.8
887L29.7Very low30.3Very low172 Ų172139.9 Ų139.990%0.90180%0.797SS**  -172.1148.8105.8-96.9163.8000112.3
888A31.3Very low30.6Very low81 Ų81140.8 Ų140.867%0.66980%0.8SS**  trans-109.8154.3154.700000106
889P39.5Very low30.8Very low135 Ų135142.7 Ų142.788%0.87779%0.792SS**  -133.8-147.85346.3-29000110
890G27.2Very low30.8Very low56 Ų56140.9 Ų140.958%0.57778%0.784SS**  cis157.894.56.100000112.6
891T30.1Very low31Very low133 Ų133140.2 Ų140.282%0.81677%0.774SS**  trans42.6113.3154.157.40000120.9
892Q29.2Very low31.1Very low200 Ų200138.6 Ų138.694%0.93578%0.776SS**  163.5141113.2-87.4-174.927.300113
893G28.7Very low31.4Very low70 Ų70136.8 Ų136.872%0.72277%0.774SS**  trans11494.9149.800000121.3
894K28.9Very low31.6Very low203 Ų203133.8 Ų133.888%0.88377%0.772SS**  trans39.1118134.8-54.3170.8-173.9175.70119.2
895S28.3Very low30.3Very low98 Ų98135.8 Ų135.869%0.68577%0.772SS**  60.6133.881.9-160.20000114
896F25Very low30.3Very low202 Ų202133.9 Ų133.989%0.88677%0.773SS**  cis-130.6-172.836.1-58.4-100.4000111.9
897G27.5Very low30.9Very low67 Ų67132.1 Ų132.169%0.69177%0.767SS**  cis-163.4-170.1200000107.5
898M36.3Very low31.3Very low165 Ų165134.4 Ų134.481%0.81376%0.764SS**  cis-177.5159.724.7-106.9155.16400104.9
899N35.7Very low31.8Very low116 Ų116134.6 Ų134.662%0.6277%0.765SS**  cis-156.4165.124.8-86.1-39.9000106.1
900N31.8Very low31.4Very low134 Ų134134.3 Ų134.372%0.71776%0.761SS**  cis-172.8167.4-7.3-103.7-9.8000106.5
901V30.9Very low31.9Very low108 Ų108135.5 Ų135.566%0.65577%0.766SS**  cis-156.6154.7393.60000109.5
902T29.1Very low31.7Very low139 Ų139135.9 Ų135.985%0.85376%0.763SS**  trans54.3140.8164.857.90000121.3
903G32.7Very low31.9Very low68 Ų68132.6 Ų132.670%0.70175%0.751SS**  trans133.176.8172.900000113.1
904V32Very low31.9Very low135 Ų135137.3 Ų137.382%0.81875%0.754SS**  86.7111.782.5171.50000114.4
905Q28Very low31.9Very low149 Ų149132.4 Ų132.470%0.69675%0.745SS**  trans75102.7147.5-158.8158.9-4.200122.2
906H25.7Very low31.9Very low191 Ų191133.3 Ų133.388%0.88475%0.751SS**  trans-61.6127.7145.5-102.5-81.2000111.1
907Q40.7Very low31.9Very low153 Ų153133.9 Ų133.972%0.71575%0.748SS**  trans-179.1140.6147.9-101.1155.71.800108.2
908R38.1Very low32.2Very low220 Ų220136.9 Ų136.983%0.8375%0.752SS**  cis-157.2132.7-4.2158.2-173.1-82.9-139.6-0.5108.3
909A42.2Very low32.6Very low84 Ų84134.3 Ų134.369%0.69475%0.748SS**  trans45.9160148.600000120.7
910T31.8Very low32.3Very low129 Ų129134.8 Ų134.879%0.79176%0.755SS**  cis-156.3160.614.5-25.60000110.1
911A36.6Very low32.3Very low82 Ų82135.9 Ų135.968%0.67876%0.756SS**  trans39.3142.7136.600000122.1
912D27.4Very low32.1Very low141 Ų141137.4 Ų137.475%0.75476%0.76SS**  cis-173.5179.7-13.8-135.4-52.6000111.4
913L32.3Very low32.1Very low131 Ų131138.4 Ų138.469%0.68676%0.759SS**  trans61.2137.7149.1-69.5162.9000123.1
914H29.4Very low31.8Very low168 Ų168138.7 Ų138.778%0.77876%0.763SS**  trans71.2163.8151.3-75.5-156.1000119.3
915S28.2Very low31.6Very low101 Ų101136.3 Ų136.371%0.70677%0.765SS**  cis155.7142.6-35.1-89.30000110
916S29.2Very low31.7Very low116 Ų116135.2 Ų135.281%0.81177%0.774SS**  trans73.5159.8164.6-75.50000121.3
917R24.4Very low31.7Very low214 Ų214131.7 Ų131.781%0.80876%0.76SS**  cis-176.5101.2-29.8-177.1165.7-165.7-143.44.3114.6
918V34.1Very low31.1Very low130 Ų130129.6 Ų129.679%0.78876%0.757SS**  trans53.1-171.3155.6-61.40000119.6
919P45.5Very low30.5Very low111 Ų111125.7 Ų125.772%0.72175%0.753SS**  -129.9-141-77.842.4-24.4000114
920V28.7Very low29.8Very low127 Ų127128.1 Ų128.177%0.7776%0.759SS**  trans92.5147.9173-176.60000114.8
921Q30.7Very low29.4Very low157 Ų157126.2 Ų126.273%0.73475%0.751SS**  179.2151.6-52.2-106.9-176.516.200108.7
922N27.7Very low29.1Very low139 Ų139130.3 Ų130.374%0.74376%0.76SS**  trans63.1171.4164.4-67.2-18000119.8
923L29.3Very low29Very low160 Ų160127.3 Ų127.384%0.83876%0.762SS**  -172.2145.5-53-159.974.1000109.7
924G25.3Very low28.7Very low75 Ų75133.8 Ų133.877%0.77378%0.778SS**  trans86.7112.5150.100000117.6
925G28.1Very low28.7Very low85 Ų85129.8 Ų129.888%0.87678%0.782SS**  trans-86.3-160.9179.700000116.6
926S30.1Very low29Very low126 Ų126131.1 Ų131.188%0.88179%0.791SS**  trans-160175150.5-162.40000110.3
927M25.3Very low28.9Very low117 Ų117130.3 Ų130.358%0.57679%0.792SS**  trans-124151.9-168.7-64.5-176.567.600114.9Q151Q151-M927 HydrophobicContact CG-SD 4.5Å; Q151-M927 PolarHBondContact NE2-SD 3.2Å
928T29Very low29.2Very low108 Ų108127 Ų12766%0.66379%0.79SS**  trans43.9112.2142.756.60000121.2
929N24.4Very low29.2Very low139 Ų139128.9 Ų128.974%0.74379%0.788SS**  -162.1173.5109.5-111.1-86.8000108.4
930V27.4Very low28.4Very low134 Ų134132 Ų13281%0.81279%0.792SS**  cis-146.8158.741.5170.60000112.5
931S23.4Very low28.3Very low89 Ų89132.5 Ų132.562%0.62280%0.796SS**  trans-34.5164.1172.4-47.50000122.7
932L31.2Very low28.2Very low169 Ų169129.6 Ų129.689%0.88580%0.798SS**  trans-28.7154.8160-55.582.2000118.5
933G25.7Very low28.2Very low77 Ų77128.1 Ų128.179%0.79481%0.806SS**  trans-171129.5153.500000112.9
934W26.4Very low28.1Very low268 Ų268124 Ų124100%1.01580%0.801SS**  trans-104.5149.3171.9-78.944.1000110.1
935G27.9Very low28.4Very low83 Ų83128.1 Ų128.186%0.85681%0.805SS**  trans172143.9168.500000114.3
936S35Very low28.7Very low129 Ų129134.8 Ų134.890%0.90280%0.803SS**  trans-139.5128.2174.1-175.60000110.3
937A28.2Very low28.8Very low100 Ų100139.4 Ų139.483%0.82680%0.801SS**  trans-156.6173.3179.900000111.4
938N29.1Very low28.8Very low144 Ų144141.7 Ų141.777%0.7782%0.815SS**  trans-107.9143-158.8-98.7-79.6000116.9
939K35.4Very low30.2Very low170 Ų170141.8 Ų141.874%0.73982%0.818SS**  trans66.5129138.2-74.6-178.7179.7-174.80124.5
940Q27.9Very low30.3Very low175 Ų175142.6 Ų142.682%0.81882%0.822SS**  trans73.2148.3147.2-64.5177.1-6.100116.7
941V27.2Very low31.9Very low139 Ų139141 Ų14184%0.84282%0.815SS**  -152.8161.553.4159.10000114.6
942A27.6Very low32.2Very low95 Ų95145 Ų14579%0.78583%0.828SS**  trans-31.5154.7178.800000124.5
943A29Very low32.8Very low109 Ų109146.3 Ų146.390%0.90183%0.83SS**  -169.1150.5121.500000110.2
944G26.8Very low33Very low72 Ų72150.2 Ų150.274%0.74283%0.831SS**  cis-168.7-173-1.500000112.1
945L31.2Very low33.3Very low162 Ų162145.9 Ų145.985%0.84882%0.823SS**  trans-139.9164.4-176.4-100.3169.3000114.2
946R35.4Very low33.4Very low225 Ų225145.2 Ų145.285%0.84982%0.816SS**  trans-64.1170.6-168.8-55.8177.3-77.9-150.4-1.1113.8
947R30.4Very low33.1Very low223 Ų223144.9 Ų144.984%0.84281%0.808SS**  cis177.1157.143.1-171.4-171.6-169.9-1753.4111.2
948L26.6Very low33.1Very low165 Ų165148.4 Ų148.486%0.86481%0.807SS**  trans177.2164.6135.8-116.567.8000114.3
949P58.9Low32.9Very low110 Ų110147.7 Ų147.771%0.71480%0.803SS**  trans-139.8-175.8-173.744.8-27.9000119.1
950N25.5Very low32.5Very low156 Ų156147.1 Ų147.183%0.83481%0.808SS**  trans90.8163.2155.6-104.922.4000120.6
951P60.7Low33.4Very low102 Ų102143.3 Ų143.366%0.66280%0.798SS**  -140.4-170.5-123.141.8-19.4000118.7
952L29.9Very low33.4Very low173 Ų173143.6 Ų143.691%0.90680%0.795SS**  trans109.6126.1163.7-66.6175.2000118.5
953Q43.1Very low33.5Very low196 Ų196147.1 Ų147.192%0.91680%0.795SS**  trans-159.3175.4161.9-133.2-165.260.100109.2
954L30.2Very low34.2Very low158 Ų158146.8 Ų146.883%0.82778%0.784SS**  trans-126122.2-171.4-158.483.8000113.3
955Q33.2Very low34.2Very low178 Ų178153.1 Ų153.183%0.83279%0.787SS**  trans49.9123154.1-154.268.812.300121.3
956G30.1Very low34.1Very low69 Ų69151.9 Ų151.971%0.71178%0.776SS**  trans170.746166.700000125.1
957V28.1Very low33.8Very low121 Ų121147.9 Ų147.973%0.73377%0.767SS**  trans52.5111.8139.8-179.60000122.8
958Q28.4Very low33.8Very low174 Ų174147.6 Ų147.681%0.81377%0.766SS**  trans70.9151.1139.9-70.3-170.3148.400127.2
959D24.7Very low34Very low129 Ų129147.8 Ų147.869%0.6976%0.762SS**  trans87.397.1144.2-89.8-58000125.7
960L26.6Very low32.6Very low159 Ų159149.8 Ų149.883%0.83277%0.772SS**  58.7-158.9129.5-139.574.2000119.3
961P47.7Very low32.8Very low95 Ų95145.4 Ų145.462%0.61776%0.763SS**  -120.8166.2-125.742.2-26.6000116.3
962N27.3Very low32.8Very low145 Ų145146.5 Ų146.578%0.77577%0.771SS**  trans-179.3178.4130.3-111.5-78.3000116.9
963H30.8Very low33.8Very low168 Ų168143.2 Ų143.278%0.77876%0.76SS**  trans-73-152.7159.4-50.4-82.7000110.4
964P43.6Very low33.4Very low103 Ų103140.4 Ų140.467%0.66975%0.751SS**  cis-146.6172.1-7.336.4-12.9000119.2
965Y26.4Very low33.4Very low205 Ų205140.4 Ų140.480%0.80475%0.747SS**  trans70.7158.2133.6-88.4-131.6000126.8
966Q28.9Very low33.3Very low135 Ų135138.2 Ų138.263%0.63175%0.745SS**  trans54.6143.9160.3-54.8-43.518.500122.6
967Q29Very low33.1Very low141 Ų141139 Ų13966%0.65975%0.745SS**  cis94.2110.918.8-168.5-160.276.600117.2
968R29.4Very low34.6Very low217 Ų217139.1 Ų139.182%0.81975%0.748SS**  trans160.4140139.8-89-171-172.2-113.13.4109.9
969H30.9Very low34.7Very low170 Ų170138.3 Ų138.379%0.78775%0.75SS**  79.3118.956.1-99.3-68.7000116.2
970V31Very low35Very low152 Ų152136.7 Ų136.792%0.92175%0.754SS**  trans-178166.6142.21430000110
971G28.8Very low35Very low63 Ų63132.9 Ų132.965%0.64975%0.753SS**  trans-113.1-162.4-166.400000118.6
972P61.8Low34.1Very low126 Ų126137 Ų13782%0.81877%0.766SS**  trans-99.8-177.7-159.542.4-40000115.1
973P50.2Low35.4Very low104 Ų104134.6 Ų134.668%0.67576%0.759SS**  -161.3171.697.242.9-23.6000119.8
974N33.6Very low35.4Very low137 Ų137133 Ų13373%0.73376%0.761SS**  trans71.1163.1143.2-75.7-11.2000121.3
975Q30.4Very low34.7Very low158 Ų158136.3 Ų136.374%0.73877%0.772SS**  cis-165.11696.8-128.3171.911100115.1
976V31.1Very low34.9Very low131 Ų131130 Ų13079%0.79477%0.769SS**  trans80.2148.1147.8166.80000123.7
977A26.7Very low34.8Very low86 Ų86131.2 Ų131.271%0.71178%0.78SS**  trans-162.6-168.1170.700000108.5
978P58.3Low34.8Very low123 Ų123128.6 Ų128.680%0.79978%0.783SS**  cis-143.5-151.2-2.542.5-18.8000115.2
979D30.9Very low34.7Very low158 Ų158121.2 Ų121.285%0.84577%0.774SS**  trans107.1151.7142.2-133.9-9.4000124.4
980A31.4Very low34.8Very low95 Ų95122.6 Ų122.679%0.78578%0.781SS**  trans79.6134.215600000125.4
981G27.4Very low34.6Very low79 Ų79119.3 Ų119.381%0.81477%0.77SS**  trans132124.6141.200000121.4
982M29.2Very low34.6Very low181 Ų181127.5 Ų127.589%0.89278%0.781SS**  trans-164.2172.6171.8-92-67.8-96.100109.1
983P54.5Low33.8Very low94 Ų94126.6 Ų126.661%0.6178%0.775SS**  cis-137.3-150.4-21.933.7-8.6000113.9
984T29.9Very low32.7Very low135 Ų135126.2 Ų126.283%0.82878%0.775SS**  trans82.9162.716275.70000121.6
985L29.9Very low32.6Very low173 Ų173128.4 Ų128.491%0.90678%0.781SS**  cis-173.4145.8-43-177.465.7000111.8
986G29.5Very low32.4Very low72 Ų72125.3 Ų125.374%0.74278%0.782SS**  trans102.1160.9165.300000116.7
987D27Very low32.2Very low161 Ų161127 Ų12786%0.86178%0.783SS**  cis-162.8167.8-9.2-171.425.6000112.1
988A28.9Very low32.3Very low86 Ų86131.4 Ų131.471%0.71179%0.791SS**  trans58126.615500000125
989G27.7Very low30.8Very low62 Ų62129 Ų12964%0.63979%0.789SS**  107.7106.5108.800000123.4
990Q32.8Very low30.8Very low198 Ų198127.5 Ų127.593%0.92579%0.789SS**  trans61.7169.3141.7-70.4149.5-95.200122.1
991A27.2Very low31.4Very low83 Ų83129.1 Ų129.169%0.68679%0.792SS**  cis-169.9143.2-49.600000113.6
992R27.7Very low31.7Very low236 Ų236130.2 Ų130.289%0.89179%0.787SS**  trans61178.7157.4-99.4-178.8165.7170.1-4117.9
993P46.3Very low32.3Very low107 Ų107127.3 Ų127.370%0.69578%0.782SS**  cis-112.7164.1-23.610.714.4000112.5
994S26.8Very low31.3Very low96 Ų96130.6 Ų130.667%0.67179%0.793SS**  57.9145.785.1-35.50000115.2
995Q31.1Very low31.2Very low183 Ų183127.1 Ų127.186%0.85578%0.784SS**  cis-171.6149.120.3-144.7167.96.400113.5
996A26.6Very low31.1Very low92 Ų92125.6 Ų125.676%0.7678%0.777SS**  trans57.7172.7149.300000120.7
997M27.1Very low31Very low167 Ų167128.9 Ų128.982%0.82378%0.776SS**  cis-158.6158.6-0.3-147.6172.6174.400113.6
998M28.2Very low30.9Very low179 Ų179125.7 Ų125.788%0.88277%0.767SS**  trans65.2147.1163.1-59.1-149.9-7000119.5
999G26.2Very low30.6Very low72 Ų72130.6 Ų130.674%0.74278%0.775SS**  cis-176.9175.6-3.800000114.4
1000C30.3Very low30.5Very low126 Ų126132.3 Ų132.385%0.85178%0.783SS**  trans-114.7166.2173.6-60.10000110.8
1001P44.6Very low30Very low130 Ų130128.2 Ų128.284%0.84478%0.776SS**  -140.6164123.536.5-24.1000114.7
1002S34.5Very low30.8Very low102 Ų102129.2 Ų129.271%0.71378%0.776SS**  trans-107.8179.1173.2-48.20000111.5
1003P41.3Very low30.6Very low120 Ų120125 Ų12578%0.77977%0.766SS**  -128.1136.8108.935.5-29.5000112.1
1004L34.3Very low29.7Very low163 Ų163127 Ų12785%0.85377%0.766SS**  65.3127.972.1-114.577.2000113.8
1005G26.1Very low29.6Very low61 Ų61132.2 Ų132.263%0.62977%0.771SS**  cis-152.4159.5-2.100000110.7
1006N28.7Very low29.5Very low142 Ų142129.5 Ų129.576%0.75977%0.767SS**  63.5135.870.8-74.1-1.9000114.3
1007L26.9Very low30Very low140 Ų140130.4 Ų130.473%0.73377%0.765SS**  cis-163.6150.8-2.4-111.8164.7000111.6
1008S24.8Very low30.1Very low94 Ų94126.7 Ų126.766%0.65776%0.761SS**  trans70.3147.4142.5-70.10000124.8
1009Q24.3Very low30Very low190 Ų190123.1 Ų123.189%0.88876%0.76SS**  trans107.4136.9138.1-93.2174.891.800121.8
1010A24.4Very low29.8Very low97 Ų97124.7 Ų124.780%0.80276%0.759SS**  trans76.4116.5154.100000121.2
1011S21.5Very low30.1Very low113 Ų113127.9 Ų127.979%0.7976%0.759SS**  trans-65.3165.7143.6-138.90000109.3
1012P44.1Very low29.4Very low103 Ų103127.3 Ų127.367%0.66976%0.755SS**  cis-148.4-163.329.442.1-19.5000117.2
1013E24.2Very low29Very low148 Ų148129.9 Ų129.969%0.69276%0.761SS**  trans99.6131.8143.4-94.5-169.896.700122.9
1014Q27.7Very low28.4Very low150 Ų150127.2 Ų127.270%0.70175%0.749SS**  trans70.4154.3149.4-64.6-172.636.300122
1015R25.4Very low28Very low204 Ų204125 Ų12577%0.7775%0.747SS**  cis-174.1102.1-29.8-175.4-179.2-167107.64.1113.1
1016V29.3Very low29Very low127 Ų127128.4 Ų128.477%0.7776%0.758SS**  trans62.4-177.4148.8-177.70000114.5
1017P36.9Very low28.8Very low111 Ų111125.5 Ų125.572%0.72176%0.762SS**  cis-96.1171.8-43.621.7-0.7000112.4
1018A29.2Very low29Very low89 Ų89124.3 Ų124.374%0.73677%0.766SS**  cis88.114817.300000118
1019A25.3Very low29.1Very low103 Ų103125.2 Ų125.285%0.85177%0.772SS**  trans68.3155.5166.800000119
1020S22.6Very low29.1Very low106 Ų106120 Ų12074%0.74176%0.757SS**  cis-168.9158.7-26.7179.70000110.3
1021F35.7Very low29.2Very low193 Ų193125.5 Ų125.585%0.84676%0.758SS**  trans-63.3156.8160.4-55.9-90000111.6
1022P31.4Very low29.4Very low117 Ų117128.7 Ų128.776%0.7676%0.76SS**  -139.7160101.142.9-31.5000112.6
1023D25.7Very low28.6Very low156 Ų156129.8 Ų129.883%0.83476%0.761SS**  cis78.313526.8-144.837.5000113.2
1024A28.1Very low28.6Very low64 Ų64129.9 Ų129.953%0.52977%0.766SS.*  cis-156.9161.91.400000112.5
1025S25.9Very low29.1Very low116 Ų116133.9 Ų133.981%0.81178%0.775SS**  trans64.6175140.5-68.80000120.7
1026P46.5Very low29.1Very low133 Ų133128.8 Ų128.886%0.86477%0.77SS**  cis-126.7169.6-17.422.4-0.1000115.2
1027G25.6Very low29.1Very low81 Ų81129.4 Ų129.484%0.83577%0.769SS**  trans-161.1113.9163.900000112.8
1028S30.7Very low28.8Very low116 Ų116134.2 Ų134.281%0.81177%0.773SS**  trans-76.9162.3-178.862.90000112.7
1029S26.2Very low28.9Very low112 Ų112137 Ų13778%0.78378%0.775SS**  cis-167-175.716.1-132.60000109
1030S25Very low29.1Very low82 Ų82136 Ų13657%0.57376%0.758SS**  cis-160.7162.21.442.50000111
1031Y25.9Very low29.2Very low211 Ų211140.4 Ų140.483%0.82776%0.764SS**  trans61156.4167.3-59.5-74.9000119.2
1032Q25.7Very low29Very low181 Ų181137 Ų13785%0.84675%0.754SS**  -144.5161.5-62.6-135.3-164.84.400110.7
1033N27.2Very low28.9Very low126 Ų126141.1 Ų141.167%0.67476%0.761SS**  trans-74.5143.9-172.8-171.59.3000113.2R1035N1033-R1035 PolarHBondContact OD1-N 2.86Å
1034N25.3Very low29.9Very low149 Ų149139.1 Ų139.180%0.79775%0.75SS**  -170.8106.5120.1-103.8-70.5000112.8
1035R36.8Very low30.3Very low235 Ų235142 Ų14289%0.88776%0.763SS**  trans-102.1129.6153.9-86.5-175.4172.4-179.1-1109.1N1033N1033-R1035 PolarHBondContact OD1-N 2.86Å
1036S26.4Very low30.9Very low96 Ų96144 Ų14467%0.67176%0.76SS**  trans-169.6133.5161.8-84.60000109.3
1037N29.2Very low30.1Very low140 Ų140141.2 Ų141.275%0.74976%0.755SS**  cis-141.2143.9-2.2-98.2-42.9000112.2
1038R30.1Very low30.3Very low212 Ų212144.1 Ų144.180%0.875%0.752SS**  trans-92138.7149.3-171.8-178-166.8-111.38.5106T1040R1038-T1040 PolarHBondContact O-OG1 3.33Å
1039L32.5Very low30.4Very low149 Ų149144.4 Ų144.478%0.7874%0.744SS**  trans-99.5123.6155.6-57.8175000104.4
1040T27.7Very low30.8Very low81 Ų81145.4 Ų145.450%0.49775%0.746SS.*  cis72.890.732.1-45.30000112.5R1038R1038-T1040 PolarHBondContact O-OG1 3.33Å
1041F26Very low31.2Very low198 Ų198148.2 Ų148.287%0.86876%0.759SS**  trans-127.598.6147.4-87.8-76.1000106.5
1042D32.1Very low31.7Very low121 Ų121143.9 Ų143.965%0.64776%0.757SS**  trans-108.4135.7167.2-74.4-64.8000108.3
1043F28.8Very low32Very low204 Ų204138.4 Ų138.490%0.89575%0.749SS**  trans-146.481.8163.1-96.6-74.2000107.9
1044L46.1Very low32.4Very low114 Ų114140.6 Ų140.660%0.59776%0.759SS**  trans-94.1167.5162.7-67174.5000109.2E1046L1044-E1046 HydrophobicContact CD1-CG 4.24Å; L1044-E1046 WeakPolarHBondContact CD1-OE1 3.37Å
1045P36.8Very low33.2Very low126 Ų126139.9 Ų139.982%0.81876%0.755SS**  -125146.490.936.5-32.2000114
1046E39.3Very low33.5Very low157 Ų157131.9 Ų131.973%0.73474%0.739SS**  trans-64.9158.9176.5-74.589.4149.900114.5L1044L1044-E1046 HydrophobicContact CD1-CG 4.24Å; L1044-E1046 WeakPolarHBondContact CD1-OE1 3.37Å
1047G28.9Very low34.3Very low75 Ų75133.9 Ų133.977%0.77374%0.743SS**  trans-15970.6177.400000113.5
1048D28.9Very low35.2Very low141 Ų141130.2 Ų130.275%0.75473%0.728SS**  trans54.9112.7155.4-97.531.8000122.8
1049N34.1Very low35.9Very low123 Ų123125 Ų12566%0.65872%0.716SS**  61.8108.4125.1-63.4-35.7000121.8
1050T34.1Very low36.8Very low133 Ų133124.4 Ų124.482%0.81671%0.707SS**  170.2166.495.739.70000113.5
1051V32.5Very low38.4Very low140 Ų140125.1 Ų125.185%0.84871%0.707SS**  trans78.6139168.8-170.70000115.7
1052P36.6Very low39.4Very low120 Ų120119.6 Ų119.678%0.77969%0.686SS**  trans-110.2151.9-151.139.9-33000117.5
1053G33.4Very low40.1Very low67 Ų67117.1 Ų117.169%0.69168%0.679SS**  9828.6111.900000120.6N1055G1053-N1055 PolarHBondContact O-N 2.88Å
1054I35.5Very low41.2Very low171 Ų171113.1 Ų113.188%0.87767%0.666SS**  trans-76.367.217153.8160.2000113.4
1055N41.7Very low41.6Very low134 Ų134113.7 Ų113.772%0.71767%0.669SS**  trans-116.884.6166.6-71.4-43.6000109.1G1053G1053-N1055 PolarHBondContact O-N 2.88Å
1056A43.4Very low42Very low67 Ų67114.4 Ų114.455%0.55466%0.659SS**  trans-118.5-34175.500000112.1S1058 D1059 F1060A1056-S1058 VanDerWaalsContact C-N 3.29Å; A1056-S1058 PolarHBondContact O-N 2.78Å; A1056-D1059 PolarHBondContact O-N 3.16Å; A1056-D1059 VanDerWaalsContact O-N 3.17Å; A1056-F1060 PolarHBondContact O-N 2.71Å
1057D41.8Very low42.2Very low139 Ų139111.5 Ų111.574%0.74366%0.656SS**Hα-helixtrans-68.9-26.8-176.5-54.1-35.5000113I1061D1057-I1061 WeakPolarHBondContact O-CG1 3.26Å
1058S48.6Very low43Very low63 Ų63111.5 Ų111.544%0.44166%0.657SS.*Hα-helixtrans-63-46.4170.949.60000111.4A1056 I1061 D1062A1056-S1058 VanDerWaalsContact C-N 3.29Å; A1056-S1058 PolarHBondContact O-N 2.78Å; S1058-I1061 PolarHBondContact O-N 2.85Å; S1058-D1062 WeakPolarHBondContact O-CB 3.44Å; S1058-D1062 PolarHBondContact O-N 3.36Å
1059D45.1Very low43.8Very low101 Ų101109.9 Ų109.954%0.5466%0.656SS.*Hα-helixtrans-80.5-27.8-167.1-6619.3000110.9A1056 S1063A1056-D1059 PolarHBondContact O-N 3.16Å; A1056-D1059 VanDerWaalsContact O-N 3.17Å; D1059-S1063 WeakPolarHBondContact O-CB 3.23Å; D1059-S1063 PolarHBondContact O-N 3.42Å; D1059-S1063 PolarHBondContact O-OG 3.3Å
1060F51.5Low44.6Very low138 Ų138108.1 Ų108.161%0.60567%0.667SS**Hα-helixtrans-63.8-48.4169.1-178.5-103.4000112A1056 S1063 L1064A1056-F1060 PolarHBondContact O-N 2.71Å; F1060-S1063 PolarHBondContact O-N 2.98Å; F1060-L1064 HydrophobicContact CE1-CD1 4.49Å; F1060-L1064 HydrophobicContact CE2-CD1 4.48Å; F1060-L1064 HydrophobicContact CZ-CD1 4.2Å; F1060-L1064 PolarHBondContact O-N 2.86Å; F1060-L1064 VanDerWaalsContact O-N 3.08Å
1061I61Low44.9Very low95 Ų95107.3 Ų107.349%0.48766%0.658SS.*Hα-helixtrans-67.7-42.2178.9-63.1-64.2000110.9D1057 S1058 S1063 L1064 L1065D1057-I1061 WeakPolarHBondContact O-CG1 3.26Å; S1058-I1061 PolarHBondContact O-N 2.85Å; I1061-S1063 VanDerWaalsContact C-N 3.33Å; I1061-S1063 PolarHBondContact O-N 2.79Å; I1061-L1064 WeakPolarHBondContact O-CB 3.45Å; I1061-L1064 PolarHBondContact O-N 3.03Å; I1061-L1065 HydrophobicContact CG2-CD1 4.01Å; I1061-L1065 WeakPolarHBondContact O-CG 3.2Å; I1061-L1065 PolarHBondContact O-N 3.37Å; I1061-L1065 VanDerWaalsContact O-N 3.1Å
1062D46.9Very low45.8Very low82 Ų82106.3 Ų106.344%0.43965%0.648SS.*Hα-helixtrans-73-26.1-180-14847.1000112.1S1058 L1065 K1066S1058-D1062 WeakPolarHBondContact O-CB 3.44Å; S1058-D1062 PolarHBondContact O-N 3.36Å; D1062-L1065 PolarHBondContact O-N 2.89Å; D1062-K1066 VanDerWaalsContact O-CB 3.27Å; D1062-K1066 WeakPolarHBondContact O-CB 3.4Å; D1062-K1066 PolarHBondContact O-N 3.42Å; D1062-K1066 IonicContact OD1-NZ 3.5Å; D1062-K1066 PolarHBondContact OD1-NZ 2.83Å; D1062-K1066 IonicContact OD2-NZ 3.66Å; D1062-K1066 PolarHBondContact OD2-NZ 3.3Å
1063S47.2Very low46.7Very low70 Ų70104.6 Ų104.649%0.4963%0.632SS.*Hα-helixtrans-69-41.5169.2-64.40000112.3D1059 F1060 I1061 L1065 K1066 S1067D1059-S1063 WeakPolarHBondContact O-CB 3.23Å; D1059-S1063 PolarHBondContact O-N 3.42Å; D1059-S1063 PolarHBondContact O-OG 3.3Å; F1060-S1063 PolarHBondContact O-N 2.98Å; I1061-S1063 VanDerWaalsContact C-N 3.33Å; I1061-S1063 PolarHBondContact O-N 2.79Å; S1063-L1065 PolarHBondContact O-N 3.49Å; S1063-K1066 PolarHBondContact O-N 2.98Å; S1063-S1067 PolarHBondContact O-N 2.84Å; S1063-S1067 PolarHBondContact O-OG 3.49Å
1064L51.6Low48.2Very low119 Ų119110.1 Ų110.162%0.62363%0.632SS**Hα-helixtrans-58.7-38.8172.2-120.679.7000111.5F1060 I1061F1060-L1064 HydrophobicContact CE1-CD1 4.49Å; F1060-L1064 HydrophobicContact CE2-CD1 4.48Å; F1060-L1064 HydrophobicContact CZ-CD1 4.2Å; F1060-L1064 PolarHBondContact O-N 2.86Å; F1060-L1064 VanDerWaalsContact O-N 3.08Å; I1061-L1064 WeakPolarHBondContact O-CB 3.45Å; I1061-L1064 PolarHBondContact O-N 3.03Å
1065L54.3Low48.9Very low127 Ų127106.9 Ų106.967%0.66562%0.615SS**Hα-helixtrans-84.3-23.3-178.4-67.2169.4000114I1061 D1062 S1063I1061-L1065 HydrophobicContact CG2-CD1 4.01Å; I1061-L1065 WeakPolarHBondContact O-CG 3.2Å; I1061-L1065 PolarHBondContact O-N 3.37Å; I1061-L1065 VanDerWaalsContact O-N 3.1Å; D1062-L1065 PolarHBondContact O-N 2.89Å; S1063-L1065 PolarHBondContact O-N 3.49Å
1066K45.7Very low49.3Very low141 Ų141108.7 Ų108.761%0.61362%0.616SS**Hα-helixtrans-81.5-24.8175.6-147.981.172.9-116.40112.8D1062 S1063 G1068D1062-K1066 VanDerWaalsContact O-CB 3.27Å; D1062-K1066 WeakPolarHBondContact O-CB 3.4Å; D1062-K1066 PolarHBondContact O-N 3.42Å; D1062-K1066 IonicContact OD1-NZ 3.5Å; D1062-K1066 PolarHBondContact OD1-NZ 2.83Å; D1062-K1066 IonicContact OD2-NZ 3.66Å; D1062-K1066 PolarHBondContact OD2-NZ 3.3Å; S1063-K1066 PolarHBondContact O-N 2.98Å; K1066-G1068 PolarHBondContact O-N 3.25Å
1067S43.6Very low49.6Very low95 Ų95112.4 Ų112.466%0.66463%0.626SS**  trans-73.824.2175.8-600000114.3S1063 S1069S1063-S1067 PolarHBondContact O-N 2.84Å; S1063-S1067 PolarHBondContact O-OG 3.49Å; S1067-S1069 PolarHBondContact O-N 2.89Å
1068G44.9Very low50.3Low76 Ų76110.4 Ų110.478%0.78462%0.615SS**  trans-74.641178.900000114.9K1066K1066-G1068 PolarHBondContact O-N 3.25Å
1069S45.5Very low50Low106 Ų106111.6 Ų111.674%0.74162%0.616SS**SBendtrans-141.8117.6173.3-165.10000108S1067S1067-S1069 PolarHBondContact O-N 2.89Å
1070G51.1Low50.3Low87 Ų87112.5 Ų112.590%0.89762%0.62SS**  trans-78.5129.3-155.400000116.3
1071N40.7Very low50.2Low115 Ų115111.9 Ų111.962%0.61562%0.623SS**  trans-140143.6150.966.6-54.3000110D1073N1071-D1073 VanDerWaalsContact C-N 3.33Å; N1071-D1073 PolarHBondContact ND2-OD2 3.44Å; N1071-D1073 PolarHBondContact O-N 2.95Å
1072D51.6Low50Low120 Ų120114.6 Ų114.664%0.64263%0.634SS**  trans-96.227.2-167.5-138.2-66000112.7M1075D1072-M1075 WeakPolarHBondContact OD1-CE 3.4Å
1073D56.3Low50.3Low83 Ų83116.6 Ų116.644%0.44464%0.644SS.*  trans-85.4-25.9-167.5-65.4-58.3000113.9N1071 M1075 K1076N1071-D1073 VanDerWaalsContact C-N 3.33Å; N1071-D1073 PolarHBondContact ND2-OD2 3.44Å; N1071-D1073 PolarHBondContact O-N 2.95Å; D1073-M1075 PolarHBondContact O-N 3.18Å; D1073-K1076 WeakPolarHBondContact O-CB 3.47Å; D1073-K1076 PolarHBondContact O-N 3.35Å
1074W63.4Low50.6Low183 Ų183120.1 Ų120.169%0.69366%0.656SS**THydrogen-bonded Turntrans-63.7-18.1-172.972.4-87.7000114.6
1075M50.7Low50.2Low104 Ų104117.5 Ų117.551%0.51266%0.658SS.*THydrogen-bonded Turntrans-83.9-7.6173-74.7-172.8-72.300113.8D1072 D1073D1072-M1075 WeakPolarHBondContact OD1-CE 3.4Å; D1073-M1075 PolarHBondContact O-N 3.18Å
1076K50Low49.9Very low171 Ų171116.2 Ų116.274%0.74366%0.66SS**THydrogen-bonded Turntrans-93.4-23.1177.6-69.4-169.4174.3-179.40114.4D1073 I1078D1073-K1076 WeakPolarHBondContact O-CB 3.47Å; D1073-K1076 PolarHBondContact O-N 3.35Å; K1076-I1078 PolarHBondContact O-N 3.33Å
1077D50.9Low49.6Very low145 Ų145118.5 Ų118.578%0.77567%0.672SS**SBendtrans-78.4-1.7178.1-66.3-31.4000113.3N1079D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.46Å
1078I55.7Low49.3Very low98 Ų98122.6 Ų122.650%0.50370%0.701SS.*  trans-77.281.5170.4-52.8179.5000108.7K1076 L1080 I1083K1076-I1078 PolarHBondContact O-N 3.33Å; I1078-L1080 PolarHBondContact O-N 2.89Å; I1078-L1080 VanDerWaalsContact O-N 3.08Å; I1078-I1083 HydrophobicContact CG2-CD1 4.33Å
1079N43.2Very low49.5Very low88 Ų88124.9 Ų124.947%0.47170%0.697SS.*  trans-67.7105.4178.4-172.41.1000111.2D1077 D1081 E1082D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.46Å; N1079-D1081 PolarHBondContact O-N 2.92Å; N1079-D1081 PolarHBondContact OD1-N 3.44Å; N1079-E1082 PolarHBondContact O-N 2.83Å
1080L50.4Low49.7Very low119 Ų119125.9 Ų125.962%0.62369%0.694SS**Hα-helixtrans-65-24.5-177.1-70166.4000113.2I1078 E1082 I1083 L1084I1078-L1080 PolarHBondContact O-N 2.89Å; I1078-L1080 VanDerWaalsContact O-N 3.08Å; L1080-E1082 VanDerWaalsContact C-N 3.34Å; L1080-E1082 PolarHBondContact O-N 2.68Å; L1080-I1083 PolarHBondContact O-N 3.33Å; L1080-L1084 PolarHBondContact O-N 3.08Å
1081D50.4Low49.6Very low125 Ų125128.1 Ų128.167%0.66868%0.683SS**Hα-helixtrans-69.7-30.3179.7-65.1-34.1000112.3N1079 I1083 L1084 G1085N1079-D1081 PolarHBondContact O-N 2.92Å; N1079-D1081 PolarHBondContact OD1-N 3.44Å; D1081-I1083 VanDerWaalsContact C-N 3.34Å; D1081-L1084 PolarHBondContact O-N 2.9Å; D1081-G1085 WeakPolarHBondContact O-CA 3.49Å; D1081-G1085 PolarHBondContact O-N 3.47Å
1082E55.1Low50.2Low153 Ų153128.8 Ų128.872%0.71569%0.687SS**Hα-helixtrans-71.1-31.6177.9-169.7170.4-174.600111.9N1079 L1080N1079-E1082 PolarHBondContact O-N 2.83Å; L1080-E1082 VanDerWaalsContact C-N 3.34Å; L1080-E1082 PolarHBondContact O-N 2.68Å
1083I53.6Low50.1Low124 Ų124129.4 Ų129.464%0.63669%0.69SS**Hα-helixtrans-77.5-25.1179.9-59.4176.6000111.8I1078 L1080 D1081I1078-I1083 HydrophobicContact CG2-CD1 4.33Å; L1080-I1083 PolarHBondContact O-N 3.33Å; D1081-I1083 VanDerWaalsContact C-N 3.34Å
1084L53.3Low49.7Very low143 Ų143132.5 Ų132.575%0.74971%0.706SS**Hα-helixtrans-107.4-20-177.7-63.4177.5000114.3L1080 D1081 S1086L1080-L1084 PolarHBondContact O-N 3.08Å; D1081-L1084 PolarHBondContact O-N 2.9Å; L1084-S1086 VanDerWaalsContact C-N 3.27Å; L1084-S1086 PolarHBondContact O-N 3.08Å
1085G43.8Very low48.7Very low65 Ų65128.9 Ų128.967%0.6771%0.707SS**SBendtrans-74.3-2.1-172.300000116.9D1081D1081-G1085 WeakPolarHBondContact O-CA 3.49Å; D1081-G1085 PolarHBondContact O-N 3.47Å
1086S47.1Very low48.5Very low100 Ų100130.8 Ų130.870%0.69972%0.722SS**SBendtrans-11751.5-170-65.40000114.7L1084L1084-S1086 VanDerWaalsContact C-N 3.27Å; L1084-S1086 PolarHBondContact O-N 3.08Å
1087H40Very low48.4Very low189 Ų189127.4 Ų127.488%0.87572%0.72SS**  trans-162.7103.2149.1-101.8-59000112.5
1088S37.2Very low48.2Very low180 Ų180125.8 Ų125.8100%1.25972%0.715SS**  trans-86.10149.2179.30000110.5

Retrieved 1,088 of 1,088 residues in 743.1 ms (Link to these results)