A0A3Q0KTY3_SCHMA Loading...

Putative pumilio

AlphaFold DB , UniProt , Accession A0A3Q0KTY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,572 aa.

>A0A3Q0KTY3_SCHMA|A0A3Q0KTY3
MDVQTGHCEWVASSNTNLSTEGLISSIANLSFEETRLLWGNSGYATVSTQDVLGNRPPFGSTPWDMSSNHTTSSSIPMVRSRRDKLNSTIPEPNLSDGSILMSPGSKDMVALGMQMADHVLSNSPGSNAQFLRDISENLSNAFPHRPAPNSLNGSQSVALNSYQYDSNVRSILPNESDALHQNQPLQSGANGLISNCFNPAQYYMRPPSAATQSLQQLPYSIIPNRSSEYVHVKSFTSEAISCEPCNSVQAENLVPYFINVPANTDPSVSNLPAESFSMFTGSHLHRDQHPASQSDNTTHLVPIIPQTNRTSSLQPVKYNSTNANEEHKNQSFNPYLGGAFSGVNQLNTCLDFNGELLTNPSFISHVSLACSEGYLPTFIQSNGPPPQDINNFGGCSNYPVNQDFYMHGPYNNLGGNRTVEHASSEHTTNGLVTNSPYGPVQYGPQKFQHTLYPRGVSPAPGDQLNIQVPNCAGVNNYPMHPVDTMVNTLVGPQFLGPSANGHAQNGAGFQNLPVSGLYQSLIQPKDPSIHIQAQAVQPVSNDQQQSAALFAHTLQMFAAAAARNMGSGTHDLHVTGVGSSSSGSVLNSVDFECLRPPGVSAEVPPTAPILPDHLQAYAGNSCVPVNAVESPGPRHPHSTLDFKSMCSTVPAPFPPISSSIHSQNIFPQTDVITQEFQRAGLGYTGLSPLNSMGDRLLRPSNTFARPTPPLSSNRMPYIPVSVTDSQSPPRTPTTIIGPRISMPPVPPRPQIATSTMYTCQNNGPLPFSSMHTPRFPSRGPTSFPQLNLTLMPPPLPPYPHHIHQPPPVLPPPGFLPSAHSYRPPGTSSSSGPLNNTSPSGNKPVHSRFPKDHNHCTTLHQPNTPVSVMTLTFAAAQQQSSGINPTLGIRNSSDQASHFQPPYYGFPTDSTTAPTLQPNSSYLSHSNPPLHINNMLPLRPTNDVAPERSRLLEEFRNSRLPCLTLHDLMNHIVEFAQDQYGSRFIQQKLEQASVVDKTSVFREILPHAYNLMIDVFGNYVIQKFFELGTPEQKQILAQRIRGQVLSLSLQMYGCRVIQKAVESVPLEMQISIVKELDGCVIKCVKDQNGNHVVQKCVENVPPEHLQFIVDAFKDHVYSISTHSYGCRVIQRILEHCTPEQTTPILSELHQHTDALVKDQYGNYVIQHVLEHGKTEDKSRIVEHIKGRVAKLSVHKFASNVVEKAVANASRVERQSLINEILEETVLTENQIVQNGQNESREFRVDDSLSENDDDDDDEPRTRSSVLVMMMKDQFANYVIQKMLDVAEQPIRKELMIQIRPHLGILRKYTYGKHIINKMEKYYMKTNQLHLAVGLNSPSPPPSLDLVNASSNITQPNLNSTIRSCGNTHNSSAASLLPPLLTPTDMAIRTSKTISVNRSTHSHHCYSNHISHHHHQSYLSSFSRNNGLPSHRIKHKESNNNNNNSNSQRASNEEIQNNSTLMSDSTSSSKETLEGHRSFDEEFCGSSGGEKHNSELESSHQTSTTTNEPSNKNCDDNKGKVKLSNPDNSTSHLYEGVNNPTSTTTTNLKLNEIDINGKSRSIGSELLTNGNDH
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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
1M30.6Very low28.9Very low219 Ų219153.1 Ų153.1100%1.07982%0.82SS**  071.30-60.1177.6-174.200107.7
2D27.1Very low28.9Very low146 Ų146148.3 Ų148.378%0.78182%0.817SS**  cis98.8127.340.4-55.7-23000110.2
3V30.8Very low28.8Very low116 Ų116144.8 Ų144.870%0.70381%0.81SS**  cis-151.6144.4-4.2111.50000111.3
4Q30.4Very low28.7Very low179 Ų179142.5 Ų142.584%0.83681%0.808SS**  trans40.6121.5158.7-65.4167.1-35.700121.7
5T29.4Very low28.7Very low138 Ų138143.7 Ų143.785%0.84781%0.811SS**  trans-71.8154.4145.643.80000111.1
6G33.1Very low29.1Very low77 Ų77141.8 Ų141.879%0.79480%0.804SS**  trans-128.6131.5171.600000111.2
7H30.9Very low29.3Very low164 Ų164143.8 Ų143.876%0.75981%0.812SS**  trans-82.5149.2179.9-90-106.7000112.8
8C26.2Very low29.8Very low129 Ų129142.1 Ų142.187%0.87280%0.8SS**  trans-122.8114.3142.4-75.80000107.5
9E26.9Very low30.5Very low149 Ų149138.1 Ų138.170%0.69678%0.782SS**  trans-85.2145.5168.4-68.1-178.7109.200110.3
10W25.9Very low31Very low253 Ų253136.7 Ų136.796%0.95878%0.777SS**  trans-128106156.2-96.676.2000108.2A12W10-A12 PolarHBondContact O-N 3.38Å
11V26.2Very low31.4Very low114 Ų114137.7 Ų137.769%0.69178%0.775SS**  trans-83.2106178.9178.60000108.9
12A29.5Very low32.1Very low96 Ų96128.3 Ų128.379%0.79374%0.735SS**  trans-94110.3164.300000108.8W10 S14W10-A12 PolarHBondContact O-N 3.38Å; A12-S14 PolarHBondContact O-N 3.31Å
13S27.5Very low32.8Very low103 Ų103126.3 Ų126.372%0.7272%0.724SS**  trans-64.6126.5-172-61.80000113.1N15S13-N15 PolarHBondContact O-N 2.8Å
14S27.9Very low33.4Very low112 Ų112125.9 Ų125.978%0.78372%0.716SS**SBendtrans-71.688.9173.4570000111.7A12A12-S14 PolarHBondContact O-N 3.31Å
15N28.2Very low33.9Very low160 Ų160120.6 Ų120.686%0.85670%0.699SS**  trans176.973.9147.9-91.4-23.7000112.4S13S13-N15 PolarHBondContact O-N 2.8Å
16T34.9Very low34.6Very low113 Ų113117.3 Ų117.369%0.69368%0.682SS**  trans-138.6124.216046.90000110.8L18T16-L18 PolarHBondContact O-N 3.35Å
17N32.6Very low35.4Very low176 Ų176118.5 Ų118.594%0.94167%0.668SS**  trans-79.283172.4-73.4-34.6000109.5
18L37.6Very low36.1Very low113 Ų113114.3 Ų114.359%0.59266%0.662SS**  trans-66.9132.5164.8-9272.2000109.1T16T16-L18 PolarHBondContact O-N 3.35Å
19S44.5Very low37.2Very low67 Ų67114.4 Ų114.447%0.46965%0.654SS.*  trans-67.4163.117366.30000111.1E21 G22 L23S19-E21 PolarHBondContact O-N 3.44Å; S19-E21 VanDerWaalsContact O-N 3.17Å; S19-E21 PolarHBondContact OG-N 3.29Å; S19-G22 PolarHBondContact O-N 3.29Å; S19-G22 PolarHBondContact OG-N 3.2Å; S19-L23 PolarHBondContact O-N 3.25Å; S19-L23 VanDerWaalsContact O-N 3.1Å
20T39.7Very low38.6Very low110 Ų110110 Ų11068%0.67564%0.635SS**Hα-helixtrans-54.3-33.2171.3-41.60000111.8L23 I24T20-L23 PolarHBondContact O-N 2.99Å; T20-I24 HydrophobicContact CG2-CD1 4.1Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CD1 3.48Å; T20-I24 WeakPolarHBondContact O-CG1 3.28Å; T20-I24 PolarHBondContact O-N 3.15Å
21E39.9Very low40.3Very low157 Ų157100.4 Ų100.473%0.73461%0.607SS**Hα-helixtrans-67.3-40175.1-61.3-176.4140.800112.4S19 L23 I24 S25S19-E21 PolarHBondContact O-N 3.44Å; S19-E21 VanDerWaalsContact O-N 3.17Å; S19-E21 PolarHBondContact OG-N 3.29Å; E21-L23 VanDerWaalsContact C-N 3.35Å; E21-I24 PolarHBondContact O-N 3.4Å; E21-S25 WeakPolarHBondContact O-CB 3.28Å; E21-S25 PolarHBondContact O-N 3.22Å
22G45.9Very low41.4Very low23 Ų23103.2 Ų103.224%0.23761%0.61CS.*Hα-helixtrans-61.4-43.4173.300000112.1S19 S25 S26S19-G22 PolarHBondContact O-N 3.29Å; S19-G22 PolarHBondContact OG-N 3.2Å; G22-S25 PolarHBondContact O-N 3.01Å; G22-S26 PolarHBondContact O-N 3.06Å; G22-S26 PolarHBondContact O-OG 3.47Å
23L40.7Very low42.4Very low104 Ų104102.4 Ų102.455%0.54559%0.59SS.*Hα-helixtrans-67.5-40.5178.4-142.5166.6000111.7S19 T20 E21 S25 S26 I27S19-L23 PolarHBondContact O-N 3.25Å; S19-L23 VanDerWaalsContact O-N 3.1Å; T20-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact C-N 3.35Å; L23-S25 VanDerWaalsContact C-N 3.34Å; L23-S26 PolarHBondContact O-N 3.38Å; L23-I27 HydrophobicContact CD2-CD1 3.71Å; L23-I27 HydrophobicContact CD2-CG1 4.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.36Å; L23-I27 VanDerWaalsContact O-N 3.07Å
24I42.6Very low43.9Very low107 Ų107101.9 Ų101.955%0.54958%0.576SS.*Hα-helixtrans-61.3-42.1171.1-72.2165000111T20 E21 S26 I27 A28T20-I24 HydrophobicContact CG2-CD1 4.1Å; T20-I24 WeakPolarHBondContact O-CB 3.41Å; T20-I24 WeakPolarHBondContact O-CD1 3.48Å; T20-I24 WeakPolarHBondContact O-CG1 3.28Å; T20-I24 PolarHBondContact O-N 3.15Å; E21-I24 PolarHBondContact O-N 3.4Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 2.88Å; I24-I27 PolarHBondContact O-N 3.03Å; I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.36Å
25S41.5Very low45.3Very low67 Ų6799.6 Ų99.647%0.46956%0.558SS.*Hα-helixtrans-68.8-30.1178.9-165.60000113.1E21 G22 L23 N29E21-S25 WeakPolarHBondContact O-CB 3.28Å; E21-S25 PolarHBondContact O-N 3.22Å; G22-S25 PolarHBondContact O-N 3.01Å; L23-S25 VanDerWaalsContact C-N 3.34Å; S25-N29 PolarHBondContact O-ND2 2.93Å
26S44.3Very low46.4Very low70 Ų7097.9 Ų97.949%0.4954%0.539SS..Hα-helixtrans-69-41.3169.7-63.40000111.9G22 L23 I24 A28 N29G22-S26 PolarHBondContact O-N 3.06Å; G22-S26 PolarHBondContact O-OG 3.47Å; L23-S26 PolarHBondContact O-N 3.38Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 2.88Å; S26-A28 VanDerWaalsContact C-N 3.35Å; S26-N29 PolarHBondContact O-N 3.18Å
27I49.3Very low47.2Very low101 Ų10197.3 Ų97.352%0.51853%0.531SS..Hα-helixtrans-66.7-36.6177.1-68.5167.4000111.4L23 I24 N29 L30L23-I27 HydrophobicContact CD2-CD1 3.71Å; L23-I27 HydrophobicContact CD2-CG1 4.28Å; L23-I27 WeakPolarHBondContact O-CG1 3.44Å; L23-I27 PolarHBondContact O-N 3.36Å; L23-I27 VanDerWaalsContact O-N 3.07Å; I24-I27 PolarHBondContact O-N 3.03Å; I27-N29 PolarHBondContact O-N 3.22Å; I27-L30 HydrophobicContact CB-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD1 4.33Å; I27-L30 WeakPolarHBondContact O-CG 3.46Å; I27-L30 PolarHBondContact O-N 3.02Å
28A47Very low48Very low76 Ų7694.9 Ų94.963%0.62852%0.517SS*.THydrogen-bonded Turntrans-65.5-18.7177.600000114.2I24 S26I24-A28 WeakPolarHBondContact O-CB 3.35Å; I24-A28 PolarHBondContact O-N 3.36Å; S26-A28 VanDerWaalsContact C-N 3.35Å
29N48.5Very low48.1Very low131 Ų131100.7 Ų100.770%0.70153%0.532SS*.THydrogen-bonded Turntrans-99.93.8-179.6-70.8-9000113.6S25 S26 I27S25-N29 PolarHBondContact O-ND2 2.93Å; S26-N29 PolarHBondContact O-N 3.18Å; I27-N29 PolarHBondContact O-N 3.22Å
30L57.5Low47.9Very low56 Ų56100.1 Ų100.129%0.29354%0.537SS..  trans-69.9133.3177-65.6171.7000110.9I27 E34 L38I27-L30 HydrophobicContact CB-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD1 4.33Å; I27-L30 WeakPolarHBondContact O-CG 3.46Å; I27-L30 PolarHBondContact O-N 3.02Å; L30-E34 HydrophobicContact CB-CB 4.35Å; L30-E34 HydrophobicContact CD2-CB 4.11Å; L30-L38 HydrophobicContact CD1-CD1 3.73Å
31S59.9Low47.6Very low53 Ų53101.6 Ų101.637%0.37154%0.541SS..  trans-64.8164.2170.767.10000111.9E33 E34 T35S31-E33 PolarHBondContact O-N 3.15Å; S31-E34 WeakPolarHBondContact CB-OE2 3.32Å; S31-E34 PolarHBondContact N-OE2 2.7Å; S31-E34 PolarHBondContact O-N 2.77Å; S31-E34 WeakPolarHBondContact OG-CG 3.08Å; S31-E34 PolarHBondContact OG-N 3.23Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; S31-T35 WeakPolarHBondContact O-CB 3.28Å; S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 3.38Å
32F49.5Very low47.3Very low172 Ų172100.3 Ų100.375%0.75455%0.549SS*.Hα-helixtrans-56.3-36.9173179.4-94.1000112.1R36F32-R36 WeakPolarHBondContact O-CB 3.25Å; F32-R36 PolarHBondContact O-N 3.37Å
33E50.8Low46.6Very low79 Ų79102.8 Ų102.837%0.36957%0.574SS.*Hα-helixtrans-78.6-35.5-177.9-163.561.2-158.400112.2S31 T35 R36 L37S31-E33 PolarHBondContact O-N 3.15Å; E33-T35 VanDerWaalsContact C-N 3.34Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 3.31Å; E33-R36 IonicContact OE1-CZ 3.66Å; E33-R36 IonicContact OE1-NE 3.43Å; E33-R36 IonicContact OE1-NH1 3.35Å; E33-R36 PolarHBondContact OE1-NH1 3.38Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 3.73Å; E33-R36 PolarHBondContact OE2-NH1 2.94Å; E33-L37 HydrophobicContact CG-CD1 4.39Å; E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.23Å; E33-L37 WeakPolarHBondContact O-CG 3.13Å; E33-L37 PolarHBondContact O-N 2.9Å
34E60.2Low46.1Very low93 Ų93109.1 Ų109.144%0.43559%0.593SS.*Hα-helixtrans-63.8-41169.8-71.6161.1114.500111.4L30 S31 R36 L37 L38L30-E34 HydrophobicContact CB-CB 4.35Å; L30-E34 HydrophobicContact CD2-CB 4.11Å; S31-E34 WeakPolarHBondContact CB-OE2 3.32Å; S31-E34 PolarHBondContact N-OE2 2.7Å; S31-E34 PolarHBondContact O-N 2.77Å; S31-E34 WeakPolarHBondContact OG-CG 3.08Å; S31-E34 PolarHBondContact OG-N 3.23Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.23Å; E34-L37 PolarHBondContact O-N 3.49Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CG 3.27Å; E34-L38 PolarHBondContact O-N 2.94Å
35T55.6Low45.4Very low64 Ų64108.1 Ų108.139%0.39360%0.6SS.*Hα-helixtrans-60.6-41.4173.2-54.90000111.3S31 E33 W39S31-T35 WeakPolarHBondContact O-CB 3.28Å; S31-T35 PolarHBondContact O-N 3.21Å; S31-T35 PolarHBondContact O-OG1 3.38Å; E33-T35 VanDerWaalsContact C-N 3.34Å; T35-W39 PolarHBondContact O-N 3.08Å
36R51.2Low44.6Very low123 Ų123111.4 Ų111.446%0.46462%0.617SS.*Hα-helixtrans-66.7-42.2175.2-177.7-174.7172.8-136.9-1.3112.3F32 E33 E34 W39 G40 E1026F32-R36 WeakPolarHBondContact O-CB 3.25Å; F32-R36 PolarHBondContact O-N 3.37Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 3.31Å; E33-R36 IonicContact OE1-CZ 3.66Å; E33-R36 IonicContact OE1-NE 3.43Å; E33-R36 IonicContact OE1-NH1 3.35Å; E33-R36 PolarHBondContact OE1-NH1 3.38Å; E33-R36 WeakPolarHBondContact OE2-CD 3.44Å; E33-R36 IonicContact OE2-NH1 3.73Å; E33-R36 PolarHBondContact OE2-NH1 2.94Å; E34-R36 VanDerWaalsContact C-N 3.32Å; E34-R36 PolarHBondContact O-N 3.23Å; R36-W39 CarbonylContact O-C 3.41Å; R36-W39 PolarHBondContact O-N 2.98Å; R36-G40 PolarHBondContact O-N 3.25Å; R36-E1026 IonicContact NH2-OE1 3.65Å
37L52.9Low43.9Very low102 Ų102115.6 Ų115.653%0.53464%0.64SS.*Hα-helixtrans-65.6-39.6179.2-75166.3000111.8E33 E34 W39 G40E33-L37 HydrophobicContact CG-CD1 4.39Å; E33-L37 WeakPolarHBondContact O-CB 3.2Å; E33-L37 VanDerWaalsContact O-CG 3.23Å; E33-L37 WeakPolarHBondContact O-CG 3.13Å; E33-L37 PolarHBondContact O-N 2.9Å; E34-L37 PolarHBondContact O-N 3.49Å; L37-W39 PolarHBondContact O-N 3.5Å; L37-G40 PolarHBondContact O-N 2.95Å
38L48.3Very low42.9Very low124 Ų124115.1 Ų115.165%0.64965%0.646SS**Hα-helixtrans-60.2-26.8173-79.1165.4000113.4L30 E34L30-L38 HydrophobicContact CD1-CD1 3.73Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CG 3.27Å; E34-L38 PolarHBondContact O-N 2.94Å
39W40.9Very low42.1Very low235 Ų235117.2 Ų117.289%0.8965%0.651SS**Hα-helixtrans-100.6-8.7177.2-7519.3000113.7T35 R36 L37T35-W39 PolarHBondContact O-N 3.08Å; R36-W39 CarbonylContact O-C 3.41Å; R36-W39 PolarHBondContact O-N 2.98Å; L37-W39 PolarHBondContact O-N 3.5Å
40G39.2Very low41.2Very low56 Ų56118.8 Ų118.858%0.57765%0.654SS**Hα-helixtrans-88-22.4-170.900000116.1R36 L37R36-G40 PolarHBondContact O-N 3.25Å; L37-G40 PolarHBondContact O-N 2.95Å
41N33.6Very low40Very low141 Ų141122.6 Ų122.675%0.75468%0.675SS**  trans-117.483.6-168.5-90.3-20.7000113.6
42S34.2Very low38.7Very low129 Ų129125.3 Ų125.390%0.90269%0.689SS**  trans-164118.8161.4-83.40000111.1
43G31.5Very low37.8Very low75 Ų75125 Ų12577%0.77369%0.694SS**  trans172.155.2-177.400000117.7
44Y29Very low36.8Very low238 Ų238124.2 Ų124.293%0.93371%0.707SS**  trans-140.5153.1168.6-93-82.6000111.1
45A27.8Very low35.4Very low85 Ų85127.2 Ų127.270%0.70273%0.726SS**  trans63.6119.1-177.700000115.4
46T25.8Very low34.2Very low136 Ų136135.2 Ų135.283%0.83475%0.749SS**  cis74.6110.448.171.30000115.8
47V29.4Very low33.4Very low158 Ų158134.4 Ų134.496%0.95876%0.76SS**  trans-137.3149.7160.5-1800000108
48S28.2Very low32.6Very low92 Ų92133.9 Ų133.964%0.64376%0.762SS**  trans-136141.1-171.8179.30000112.5
49T30.5Very low31.8Very low120 Ų120138 Ų13874%0.73678%0.775SS**  trans62.5156.5155.940.30000117.3
50Q29.4Very low31.2Very low163 Ų163130.5 Ų130.576%0.76277%0.771SS**  cis-153.7-175.518.6-143.8159.4-36.200112.7
51D32.2Very low30.9Very low137 Ų137133.8 Ų133.873%0.73379%0.785SS**  trans74.2140.6159.6-66.7-3.5000120.2
52V32.8Very low31Very low110 Ų110133.2 Ų133.267%0.66779%0.787SS**  cis-158.5142.8-10113.90000112.2
53L29.8Very low31.2Very low166 Ų166131.7 Ų131.787%0.86977%0.774SS**  trans37.3145.7156.2-54.8168.8000122.9
54G30.5Very low31.4Very low61 Ų61139.3 Ų139.363%0.62978%0.78SS**  cis164.7157.5-7.400000116.2
55N30.3Very low31.5Very low156 Ų156134.5 Ų134.583%0.83477%0.77SS**  trans69.7134165.8-54.8-34000120.2
56R31.9Very low31.7Very low232 Ų232138.1 Ų138.188%0.87577%0.774SS**  cis86.7155.231.3-90.6-167.8170.8-139.20116.3
57P33.8Very low31.8Very low107 Ų107135.7 Ų135.770%0.69576%0.763SS**  cis-131.9-123.5-6.128.6-0.7000116.5
58P35.6Very low31.9Very low91 Ų91132.6 Ų132.659%0.59175%0.748SS**  -135.3-152.7-113.947.2-26.9000118
59F32Very low32Very low210 Ų210134.8 Ų134.892%0.92175%0.753SS**  trans78.1143.1-178.7-48.1-77.3000114.8
60G28.8Very low32.1Very low78 Ų78136.4 Ų136.480%0.80475%0.752SS**  cis165.1160.9-4.700000109
61S32.9Very low31.9Very low124 Ų124134 Ų13487%0.86775%0.748SS**  cis-162-175.5-5.360.30000111.5
62T35.4Very low31.6Very low130 Ų130133.4 Ų133.480%0.79875%0.75SS**  trans-90.2-174.9176.849.60000112.4
63P38.4Very low31.3Very low97 Ų97133.8 Ų133.863%0.6376%0.757SS**  cis-147.5-144.618.547.7-25000117.2
64W35.9Very low31.1Very low235 Ų235131.6 Ų131.689%0.8976%0.756SS**  trans107.9148167-57.9109.6000117.9
65D30.7Very low30.8Very low136 Ų136133.6 Ų133.673%0.72776%0.76SS**  -157171.6-82.6-165.411.2000111.5
66M31.8Very low30.9Very low161 Ų161133.1 Ų133.179%0.79376%0.756SS**  trans75.7148163.3-50.5-156.284.200119.9
67S28.4Very low30.7Very low86 Ų86127.7 Ų127.760%0.60175%0.751SS**  cis-174.7147.3-22.1176.80000111.8
68S31.1Very low30.4Very low93 Ų93129.5 Ų129.565%0.6575%0.752SS**  trans56147.4149.152.30000121.5
69N30.5Very low30Very low138 Ų138131.4 Ų131.474%0.73876%0.762SS**  cis-162.5163.33.4-108.1-2.9000112.7
70H31.2Very low29.7Very low154 Ų154131.1 Ų131.171%0.71376%0.755SS**  trans0.9153.1143.6-57.6-64.5000121.2
71T26.8Very low29.6Very low111 Ų111133 Ų13368%0.68176%0.755SS**  cis-169.31674.513.90000113.3
72T25.7Very low29.2Very low125 Ų125136.8 Ų136.877%0.76775%0.75SS**  trans59.5117149.650.10000122.5
73S26.6Very low28.7Very low118 Ų118140.2 Ų140.283%0.82575%0.749SS**  trans28.7116.2135-166.50000120.7
74S25.7Very low28.2Very low121 Ų121141.1 Ų141.185%0.84675%0.748SS**  -167.7159.5115.349.30000112.5
75S23.5Very low27.7Very low103 Ų103138.6 Ų138.672%0.7274%0.744SS**  trans-71.7143.5-171.1-46.90000115.4
76I32.3Very low27.5Very low145 Ų145138.9 Ų138.974%0.74474%0.744SS**  trans57.9130.2143.2-56.2159.4000118.1M78I76-M78 HydrophobicContact CG2-CB 4.34Å
77P27.5Very low27.2Very low119 Ų119138.1 Ų138.177%0.77374%0.743SS**  -131.1113.7127.634.5-25.5000113.5
78M28.2Very low27.1Very low145 Ų145139.4 Ų139.471%0.71475%0.752SS**  trans-84.1111.7167.3176.2-167.761.900109.9I76I76-M78 HydrophobicContact CG2-CB 4.34Å
79V26.3Very low26.9Very low131 Ų131141.4 Ų141.479%0.79476%0.761SS**  trans-128.494.2173-1750000108
80R25.7Very low26.7Very low204 Ų204141.2 Ų141.277%0.7776%0.758SS**  63.4109.776.4-77.4-170.5160.9-178-2.6115.6
81S26.3Very low26.5Very low116 Ų116139.3 Ų139.381%0.81176%0.76SS**  trans73.1143.8150.9-107.90000117.1
82R25.7Very low26.5Very low205 Ų205141.8 Ų141.877%0.77476%0.763SS**  cis-143.3161.611.1-60.8-179.4166.1170-3.6111.8
83R25.6Very low26.7Very low201 Ų201140.8 Ų140.876%0.75876%0.759SS**  trans37.5142.7133.3-68.7-175.6-173.8147.12.7120.4
84D26.5Very low26.7Very low116 Ų116142.7 Ų142.762%0.6276%0.76SS**  cis-160.9149.88.2-102.7-33.7000110.1
85K25.7Very low26.9Very low183 Ų183145 Ų14580%0.79676%0.762SS**  trans59.8150.7152-66.7173.5-176.2175.30118.2
86L26.2Very low27.1Very low142 Ų142144.6 Ų144.674%0.74376%0.759SS**  cis-156.11626.5-125.5164.6000110.2
87N26.7Very low26.9Very low144 Ų144144.9 Ų144.977%0.7776%0.762SS**  trans-18.7135.4176.4-57.9-2.8000120.3
88S25.9Very low26.9Very low113 Ų113142.1 Ų142.179%0.7976%0.755SS**  -154.3141.1113.5660000111.2
89T26.5Very low27Very low135 Ų135140.4 Ų140.483%0.82876%0.758SS**  trans-92.8133.8-177.4-46.10000110.7
90I26.1Very low27.2Very low134 Ų134139.6 Ų139.669%0.68775%0.748SS**  trans-128.3125.7163.4-61.5-179.8000107.4
91P26.2Very low27.6Very low114 Ų114135.2 Ų135.274%0.7474%0.739SS**PPolyproline II helixtrans-82.7116.9172.631.8-30.1000110.1
92E27.7Very low27.9Very low163 Ų163132.3 Ų132.376%0.76271%0.713SS**PPolyproline II helixtrans-64.3148.6160.4-80.8-66.5125.100109.6
93P29.7Very low28.5Very low104 Ų104123.6 Ų123.668%0.67568%0.684SS**PPolyproline II helixtrans-75.9133.8-162.729.2-34.5000112.7L95P93-L95 PolarHBondContact O-N 3.36Å
94N26.2Very low29.2Very low159 Ų159115.9 Ų115.985%0.8566%0.66SS**  trans-63.197.2167.1-69.6-25.9000109.9S96N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.35Å
95L29.9Very low29.9Very low169 Ų169113.7 Ų113.789%0.88567%0.665SS**  trans-61.898.1151.3-82.4162.4000106.4P93 D97P93-L95 PolarHBondContact O-N 3.36Å; L95-D97 PolarHBondContact O-N 3.29Å; L95-D97 VanDerWaalsContact O-N 3.13Å
96S29.3Very low31Very low94 Ų94106 Ų10666%0.65763%0.634SS**  trans-68.5110.7-172.9530000110.5N94 G98N94-S96 VanDerWaalsContact C-N 3.29Å; N94-S96 PolarHBondContact O-N 3.35Å; S96-G98 PolarHBondContact O-N 3.25Å
97D26.2Very low32.4Very low151 Ų151107.4 Ų107.481%0.80763%0.634SS**  trans-50.3122.6179.8-88.2-58.3000112.5L95L95-D97 PolarHBondContact O-N 3.29Å; L95-D97 VanDerWaalsContact O-N 3.13Å
98G28.8Very low33.3Very low61 Ų61104.3 Ų104.363%0.62962%0.618SS**  trans-129.674.2167.900000108.2S96 I100S96-G98 PolarHBondContact O-N 3.25Å; G98-I100 VanDerWaalsContact C-N 3.28Å; G98-I100 PolarHBondContact O-N 2.82Å
99S29.6Very low34.4Very low109 Ų109102.2 Ų102.276%0.76260%0.596SS**  trans-71.481.2-179.541.20000110.9L101S99-L101 PolarHBondContact O-N 3.44Å
100I30.2Very low35.6Very low115 Ų11599.6 Ų99.659%0.5958%0.58SS**  trans-61.3109.9-178-60.3167.8000109.7G98 M102G98-I100 VanDerWaalsContact C-N 3.28Å; G98-I100 PolarHBondContact O-N 2.82Å; I100-M102 HydrophobicContact CB-CG 4.32Å; I100-M102 HydrophobicContact CG2-CG 3.74Å; I100-M102 PolarHBondContact O-N 3.49Å
101L33.7Very low37Very low112 Ų11295.4 Ų95.459%0.58657%0.565SS**  trans-64.484.6161.2-102.5160.7000108.6S99 S103S99-L101 PolarHBondContact O-N 3.44Å; L101-S103 PolarHBondContact O-N 3.5Å; L101-S103 VanDerWaalsContact O-N 3.1Å
102M33.8Very low38.5Very low55 Ų5592.6 Ų92.627%0.27154%0.543SS..PPolyproline II helixtrans-65.2116-175.9-64.2-166.6173.600110.1I100 D108 M109 L112I100-M102 HydrophobicContact CB-CG 4.32Å; I100-M102 HydrophobicContact CG2-CG 3.74Å; I100-M102 PolarHBondContact O-N 3.49Å; M102-D108 HydrophobicContact CE-CB 3.76Å; M102-D108 HydrophobicContact CG-CB 4.38Å; M102-D108 VanDerWaalsContact SD-C 3.57Å; M102-D108 HydrophobicContact SD-CB 3.89Å; M102-D108 VanDerWaalsContact SD-O 3.38Å; M102-M109 HydrophobicContact CB-CB 4.23Å; M102-M109 HydrophobicContact CB-CG 3.63Å; M102-L112 HydrophobicContact SD-CB 3.8Å; M102-L112 HydrophobicContact SD-CD2 3.66Å; M102-L112 HydrophobicContact SD-CG 4.29Å
103S37.9Very low40Very low21 Ų2186.6 Ų86.615%0.14753%0.526CS..PPolyproline II helixtrans-77.9142.4-178.2-62.30000110.3L101 G105 S106 M109 Y1163L101-S103 PolarHBondContact O-N 3.5Å; L101-S103 VanDerWaalsContact O-N 3.1Å; S103-G105 PolarHBondContact O-N 2.97Å; S103-S106 WeakPolarHBondContact O-CB 3.37Å; S103-S106 PolarHBondContact O-N 2.7Å; S103-M109 WeakPolarHBondContact O-CB 3.12Å; S103-Y1163 VanDerWaalsContact CB-CZ 3.41Å; S103-Y1163 VanDerWaalsContact CB-OH 3.23Å; S103-Y1163 WeakPolarHBondContact CB-OH 3.43Å; S103-Y1163 PolarHBondContact OG-OH 3.36Å
104P39.7Very low41.4Very low39 Ų3987.7 Ų87.725%0.25352%0.523SS..THydrogen-bonded Turntrans-51.3134172.9-25.234.8000111.2S106 R1127P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 3.24Å; P104-R1127 HydrophobicContact CG-CG 4.19Å
105G42.9Very low42.8Very low71 Ų7186.3 Ų86.373%0.73251%0.512SS*.THydrogen-bonded Turntrans76.2-1.4-177.400000116.2S103S103-G105 PolarHBondContact O-N 2.97Å
106S48.3Very low43.9Very low21 Ų2183.8 Ų83.815%0.14750%0.497CS..  trans-65.7149.7169103.50000110.3S103 P104 D108 M109 V110S103-S106 WeakPolarHBondContact O-CB 3.37Å; S103-S106 PolarHBondContact O-N 2.7Å; P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 3.24Å; S106-D108 WeakPolarHBondContact CB-OD2 3.21Å; S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 WeakPolarHBondContact OG-CB 3.5Å; S106-D108 PolarHBondContact OG-N 2.99Å; S106-D108 PolarHBondContact OG-OD2 2.81Å; S106-M109 PolarHBondContact O-N 3.28Å; S106-M109 PolarHBondContact OG-N 2.94Å; S106-M109 VanDerWaalsContact OG-N 3.08Å; S106-V110 PolarHBondContact O-N 3Å
107K54.7Low45.1Very low172 Ų17281.6 Ų81.675%0.74848%0.484SS*.Hα-helixtrans-56.8-31.5174.8-70.5-178.8179.7175.50111.8A111K107-A111 VanDerWaalsContact O-CB 3.24Å; K107-A111 WeakPolarHBondContact O-CB 3.44Å; K107-A111 PolarHBondContact O-N 2.92Å
108D46.2Very low46.4Very low79 Ų7979.1 Ų79.142%0.42247%0.471SS..Hα-helixtrans-73.2-36.3178.4-24.9-82.2000111.1M102 S106 A111 L112M102-D108 HydrophobicContact CE-CB 3.76Å; M102-D108 HydrophobicContact CG-CB 4.38Å; M102-D108 VanDerWaalsContact SD-C 3.57Å; M102-D108 HydrophobicContact SD-CB 3.89Å; M102-D108 VanDerWaalsContact SD-O 3.38Å; S106-D108 WeakPolarHBondContact CB-OD2 3.21Å; S106-D108 PolarHBondContact O-N 3.36Å; S106-D108 WeakPolarHBondContact OG-CB 3.5Å; S106-D108 PolarHBondContact OG-N 2.99Å; S106-D108 PolarHBondContact OG-OD2 2.81Å; D108-A111 CarbonylContact O-C 3.1Å; D108-A111 PolarHBondContact O-N 2.94Å; D108-L112 WeakPolarHBondContact O-CB 3.33Å; D108-L112 PolarHBondContact O-N 3.27Å
109M48.8Very low47.5Very low69 Ų6982.1 Ų82.134%0.3447%0.469SS..Hα-helixtrans-70.7-35.2173.1-125.9-76.7-80.300111.9M102 S103 S106 G113M102-M109 HydrophobicContact CB-CB 4.23Å; M102-M109 HydrophobicContact CB-CG 3.63Å; S103-M109 WeakPolarHBondContact O-CB 3.12Å; S106-M109 PolarHBondContact O-N 3.28Å; S106-M109 PolarHBondContact OG-N 2.94Å; S106-M109 VanDerWaalsContact OG-N 3.08Å; M109-G113 PolarHBondContact O-N 2.74Å
110V52.7Low48.7Very low80 Ų8081.2 Ų81.249%0.48546%0.458SS..Hα-helixtrans-67.3-43.8170.2177.70000110.7S106 L112 G113 M114S106-V110 PolarHBondContact O-N 3Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.28Å; V110-G113 PolarHBondContact O-N 2.89Å; V110-M114 HydrophobicContact CG1-SD 4.45Å; V110-M114 WeakPolarHBondContact O-CG 3.25Å; V110-M114 PolarHBondContact O-N 2.89Å
111A55.3Low49.8Very low46 Ų4678.8 Ų78.838%0.3845%0.446SS..Hα-helixtrans-65.7-34.7175.700000112.5K107 D108 Q115K107-A111 VanDerWaalsContact O-CB 3.24Å; K107-A111 WeakPolarHBondContact O-CB 3.44Å; K107-A111 PolarHBondContact O-N 2.92Å; D108-A111 CarbonylContact O-C 3.1Å; D108-A111 PolarHBondContact O-N 2.94Å; A111-Q115 WeakPolarHBondContact O-CB 3.48Å; A111-Q115 VanDerWaalsContact O-CG 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.49Å; A111-Q115 PolarHBondContact O-N 2.99Å
112L56.6Low50.8Low54 Ų5476.7 Ų76.728%0.28344%0.441SS..Hα-helixtrans-70.7-38.9173-176.466.3000111M102 D108 V110 Q115 M116M102-L112 HydrophobicContact SD-CB 3.8Å; M102-L112 HydrophobicContact SD-CD2 3.66Å; M102-L112 HydrophobicContact SD-CG 4.29Å; D108-L112 WeakPolarHBondContact O-CB 3.33Å; D108-L112 PolarHBondContact O-N 3.27Å; V110-L112 VanDerWaalsContact C-N 3.34Å; V110-L112 PolarHBondContact O-N 3.28Å; L112-Q115 PolarHBondContact O-N 3.02Å; L112-M116 HydrophobicContact CD1-CE 4.12Å; L112-M116 HydrophobicContact CD2-CE 4.09Å; L112-M116 HydrophobicContact CG-CE 4Å; L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 2.91Å; L112-M116 PolarHBondContact O-N 3.49Å
113G59.2Low51.6Low38 Ų3878.9 Ų78.939%0.39245%0.454SS..Hα-helixtrans-61.3-44171.900000112.2M109 V110 M116 A117M109-G113 PolarHBondContact O-N 2.74Å; V110-G113 PolarHBondContact O-N 2.89Å; G113-M116 PolarHBondContact O-N 2.94Å; G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3.43Å
114M59.6Low51.9Low126 Ų12680 Ų8062%0.62146%0.461SS*.Hα-helixtrans-64.6-45.2172.4-74.5179.1162.500112V110 M116 A117 D118V110-M114 HydrophobicContact CG1-SD 4.45Å; V110-M114 WeakPolarHBondContact O-CG 3.25Å; V110-M114 PolarHBondContact O-N 2.89Å; M114-M116 VanDerWaalsContact C-N 3.31Å; M114-M116 PolarHBondContact O-N 3.29Å; M114-A117 CarbonylContact O-C 3.36Å; M114-A117 WeakPolarHBondContact O-CB 3.47Å; M114-A117 PolarHBondContact O-N 3.43Å; M114-D118 WeakPolarHBondContact O-CB 3.42Å; M114-D118 PolarHBondContact O-N 3.11Å
115Q55.4Low51.9Low130 Ų13083.6 Ų83.661%0.60749%0.485SS*.Hα-helixtrans-64.1-33.4174.7-79.9-176.4-5.900112.7A111 L112 H119A111-Q115 WeakPolarHBondContact O-CB 3.48Å; A111-Q115 VanDerWaalsContact O-CG 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.49Å; A111-Q115 PolarHBondContact O-N 2.99Å; L112-Q115 PolarHBondContact O-N 3.02Å; Q115-H119 WeakPolarHBondContact O-CB 3.38Å; Q115-H119 PolarHBondContact O-N 3.49Å
116M53.7Low52.2Low116 Ų11682.2 Ų82.257%0.57147%0.471SS*.Hα-helixtrans-70.3-38.9173.1-77.4-177176.700111.1L112 G113 M114 H119 V120L112-M116 HydrophobicContact CD1-CE 4.12Å; L112-M116 HydrophobicContact CD2-CE 4.09Å; L112-M116 HydrophobicContact CG-CE 4Å; L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CB 3.4Å; L112-M116 VanDerWaalsContact O-CG 3.26Å; L112-M116 WeakPolarHBondContact O-CG 2.91Å; L112-M116 PolarHBondContact O-N 3.49Å; G113-M116 PolarHBondContact O-N 2.94Å; M114-M116 VanDerWaalsContact C-N 3.31Å; M114-M116 PolarHBondContact O-N 3.29Å; M116-H119 PolarHBondContact O-N 3.19Å; M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 VanDerWaalsContact O-CG2 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.48Å; M116-V120 PolarHBondContact O-N 2.7Å
117A54.9Low51.9Low48 Ų4885.7 Ų85.740%0.39750%0.495SS..Hα-helixtrans-62.4-50.5171.500000111.1G113 M114 H119 V120 L121G113-A117 WeakPolarHBondContact O-CB 3.3Å; G113-A117 PolarHBondContact O-N 3.43Å; M114-A117 CarbonylContact O-C 3.36Å; M114-A117 WeakPolarHBondContact O-CB 3.47Å; M114-A117 PolarHBondContact O-N 3.43Å; A117-H119 VanDerWaalsContact C-N 3.32Å; A117-H119 PolarHBondContact O-N 2.81Å; A117-V120 PolarHBondContact O-N 3.46Å; A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.08Å; A117-L121 PolarHBondContact O-N 3.14Å
118D53Low51.3Low100 Ų10083.2 Ų83.254%0.53549%0.49SS..Hα-helixtrans-60-39.4175.2-75.9-21.2000112.1M114 L121 S122M114-D118 WeakPolarHBondContact O-CB 3.42Å; M114-D118 PolarHBondContact O-N 3.11Å; D118-L121 PolarHBondContact O-N 3.25Å; D118-S122 WeakPolarHBondContact O-CB 3.26Å; D118-S122 PolarHBondContact O-N 2.75Å; D118-S122 PolarHBondContact O-OG 3.42Å
119H51.7Low51.6Low124 Ų12479.9 Ų79.957%0.57447%0.473SS*.Hα-helixtrans-70.1-34.9177.1-168-85.6000111.8Q115 M116 A117 S122 N123Q115-H119 WeakPolarHBondContact O-CB 3.38Å; Q115-H119 PolarHBondContact O-N 3.49Å; M116-H119 PolarHBondContact O-N 3.19Å; A117-H119 VanDerWaalsContact C-N 3.32Å; A117-H119 PolarHBondContact O-N 2.81Å; H119-S122 WeakPolarHBondContact CA-OG 3.14Å; H119-S122 PolarHBondContact O-OG 3.45Å; H119-N123 PolarHBondContact CE1-ND2 3.48Å; H119-N123 VanDerWaalsContact CE1-ND2 3.27Å; H119-N123 PolarHBondContact ND1-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 3.21Å; H119-N123 VanDerWaalsContact O-CB 3.29Å; H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.91Å; H119-N123 VanDerWaalsContact O-N 3.15Å; H119-N123 PolarHBondContact O-ND2 3.08Å
120V55.1Low51.7Low90 Ų9080.2 Ų80.255%0.54547%0.474SS..Hα-helixtrans-70.6-42.7172.1167.70000110.9M116 A117 N123 S124M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 VanDerWaalsContact O-CG2 3.24Å; M116-V120 WeakPolarHBondContact O-CG2 3.48Å; M116-V120 PolarHBondContact O-N 2.7Å; A117-V120 PolarHBondContact O-N 3.46Å; V120-N123 CarbonylContact O-C 3.56Å; V120-N123 PolarHBondContact O-N 2.92Å; V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3.39Å; V120-S124 PolarHBondContact O-OG 2.86Å
121L52.9Low51.9Low63 Ų6382.6 Ų82.633%0.3348%0.478SS..Hα-helixtrans-70.8-39.2-179.7-70.2169.3000112.3A117 D118 S124 L132 R133A117-L121 WeakPolarHBondContact O-CB 3.5Å; A117-L121 VanDerWaalsContact O-CG 3.25Å; A117-L121 WeakPolarHBondContact O-CG 3.08Å; A117-L121 PolarHBondContact O-N 3.14Å; D118-L121 PolarHBondContact O-N 3.25Å; L121-S124 PolarHBondContact O-N 3.34Å; L121-L132 HydrophobicContact CD2-CD1 3.91Å; L121-R133 PolarHBondContact O-NE 2.98Å; L121-R133 PolarHBondContact O-NH2 3.29Å
122S53.8Low51.4Low69 Ų6984.5 Ų84.548%0.48348%0.481SS..Hα-helixtrans-68.4-36.1174550000112.7D118 H119 R133D118-S122 WeakPolarHBondContact O-CB 3.26Å; D118-S122 PolarHBondContact O-N 2.75Å; D118-S122 PolarHBondContact O-OG 3.42Å; H119-S122 WeakPolarHBondContact CA-OG 3.14Å; H119-S122 PolarHBondContact O-OG 3.45Å; S122-R133 PolarHBondContact O-NH2 3.1Å
123N50.9Low51.1Low101 Ų10184.9 Ų84.954%0.5448%0.479SS..THydrogen-bonded Turntrans-90.13.6176.6-68.7-81.7000114.5H119 V120 P125H119-N123 PolarHBondContact CE1-ND2 3.48Å; H119-N123 VanDerWaalsContact CE1-ND2 3.27Å; H119-N123 PolarHBondContact ND1-ND2 3.14Å; H119-N123 PolarHBondContact NE2-ND2 3.21Å; H119-N123 VanDerWaalsContact O-CB 3.29Å; H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.91Å; H119-N123 VanDerWaalsContact O-N 3.15Å; H119-N123 PolarHBondContact O-ND2 3.08Å; V120-N123 CarbonylContact O-C 3.56Å; V120-N123 PolarHBondContact O-N 2.92Å; N123-P125 WeakPolarHBondContact O-CD 3.49Å
124S44.7Very low50.8Low43 Ų4386.1 Ų86.130%0.30148%0.477SS..  trans-87.1118.9176.4-74.40000112V120 L121 G126 A129 R133V120-S124 VanDerWaalsContact O-CB 3.25Å; V120-S124 WeakPolarHBondContact O-CB 3.38Å; V120-S124 PolarHBondContact O-N 3.39Å; V120-S124 PolarHBondContact O-OG 2.86Å; L121-S124 PolarHBondContact O-N 3.34Å; S124-G126 PolarHBondContact O-N 2.88Å; S124-A129 WeakPolarHBondContact O-CB 3.15Å; S124-R133 PolarHBondContact O-NH2 2.92Å
125P40.2Very low50.5Low116 Ų11683.3 Ų83.375%0.75346%0.464SS*.  trans-87.1105.7172.432.9-30.6000110.3N123N123-P125 WeakPolarHBondContact O-CD 3.49Å
126G48.8Very low49.9Very low42 Ų4280.6 Ų80.643%0.43346%0.459SS..SBendtrans179.2156.7175.300000113S124 N128 A129 Q130S124-G126 PolarHBondContact O-N 2.88Å; G126-N128 PolarHBondContact O-N 2.99Å; G126-A129 PolarHBondContact O-N 3.45Å; G126-A129 VanDerWaalsContact O-N 3.16Å; G126-Q130 PolarHBondContact O-N 2.92Å
127S41.1Very low49.4Very low93 Ų9380.1 Ų80.165%0.6546%0.455SS*.Hα-helixtrans-52.8-39.3178.647.20000112.7Q130 F131S127-Q130 PolarHBondContact O-N 3.12Å; S127-F131 WeakPolarHBondContact O-CB 3.43Å; S127-F131 PolarHBondContact O-N 2.81Å
128N42.6Very low48.8Very low120 Ų12082.9 Ų82.964%0.64246%0.464SS*.Hα-helixtrans-74.2-34-175.3-55.711.7000111.2G126 L132G126-N128 PolarHBondContact O-N 2.99Å; N128-L132 WeakPolarHBondContact O-CB 3.46Å; N128-L132 WeakPolarHBondContact O-CG 3.14Å; N128-L132 PolarHBondContact O-N 3.4Å
129A52.2Low48.2Very low9 Ų984.9 Ų84.97%0.07447%0.473CS..Hα-helixtrans-71.4-33.9172.500000111.6S124 G126 R133S124-A129 WeakPolarHBondContact O-CB 3.15Å; G126-A129 PolarHBondContact O-N 3.45Å; G126-A129 VanDerWaalsContact O-N 3.16Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 2.77Å
130Q52.4Low47.5Very low77 Ų7782.9 Ų82.936%0.3647%0.473SS..Hα-helixtrans-69.3-44.7171.3-167.858.442.600111.4G126 S127 L132 R133 D134G126-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 PolarHBondContact O-N 3.12Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.34Å; Q130-R133 CarbonylContact O-C 3.42Å; Q130-R133 WeakPolarHBondContact O-CA 3.32Å; Q130-R133 WeakPolarHBondContact O-CB 3.5Å; Q130-R133 PolarHBondContact O-N 3.06Å; Q130-D134 PolarHBondContact NE2-OD1 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.37Å; Q130-D134 PolarHBondContact O-N 3.32Å
131F55Low46.6Very low129 Ų12984.1 Ų84.157%0.56648%0.477SS*.Hα-helixtrans-58.3-38.4175.2-179.9-113.2000112.8S127 D134 I135S127-F131 WeakPolarHBondContact O-CB 3.43Å; S127-F131 PolarHBondContact O-N 2.81Å; F131-D134 PolarHBondContact O-N 3.39Å; F131-I135 HydrophobicContact CD1-CD1 3.89Å; F131-I135 HydrophobicContact CD2-CD1 4.48Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CG-CD1 4.38Å; F131-I135 HydrophobicContact CZ-CD1 3.65Å; F131-I135 WeakPolarHBondContact O-CB 3.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 3.39Å
132L45.8Very low45.6Very low86 Ų8684.1 Ų84.145%0.4549%0.486SS..Hα-helixtrans-71.8-33.2174-71.2171.4000113.1L121 N128 Q130 S136L121-L132 HydrophobicContact CD2-CD1 3.91Å; N128-L132 WeakPolarHBondContact O-CB 3.46Å; N128-L132 WeakPolarHBondContact O-CG 3.14Å; N128-L132 PolarHBondContact O-N 3.4Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.34Å; L132-S136 WeakPolarHBondContact O-CB 3.34Å; L132-S136 PolarHBondContact O-N 3.16Å
133R50.8Low44.4Very low62 Ų6290.4 Ų90.423%0.23451%0.505CS..Hα-helixtrans-65.3-46.6167.2-73.8176.7-143.8133.76.1111.2L121 S122 S124 A129 Q130 I135 S136 E137L121-R133 PolarHBondContact O-NE 2.98Å; L121-R133 PolarHBondContact O-NH2 3.29Å; S122-R133 PolarHBondContact O-NH2 3.1Å; S124-R133 PolarHBondContact O-NH2 2.92Å; A129-R133 WeakPolarHBondContact O-CG 3.46Å; A129-R133 PolarHBondContact O-N 2.77Å; Q130-R133 CarbonylContact O-C 3.42Å; Q130-R133 WeakPolarHBondContact O-CA 3.32Å; Q130-R133 WeakPolarHBondContact O-CB 3.5Å; Q130-R133 PolarHBondContact O-N 3.06Å; R133-I135 VanDerWaalsContact C-N 3.26Å; R133-I135 PolarHBondContact O-N 3.36Å; R133-S136 CarbonylContact O-C 3.41Å; R133-S136 WeakPolarHBondContact O-CA 3.45Å; R133-S136 WeakPolarHBondContact O-CB 3.43Å; R133-S136 PolarHBondContact O-N 3.06Å; R133-E137 VanDerWaalsContact O-CB 3.31Å; R133-E137 WeakPolarHBondContact O-CB 3.36Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.43Å
134D52.7Low43.8Very low64 Ų6491.3 Ų91.334%0.34252%0.516SS..Hα-helixtrans-60.7-37.7178.8-59.6-19.8000110.4Q130 F131 N138Q130-D134 PolarHBondContact NE2-OD1 3.31Å; Q130-D134 WeakPolarHBondContact O-CB 3.37Å; Q130-D134 PolarHBondContact O-N 3.32Å; F131-D134 PolarHBondContact O-N 3.39Å; D134-N138 WeakPolarHBondContact O-CB 3.44Å; D134-N138 PolarHBondContact O-N 2.86Å; D134-N138 PolarHBondContact O-ND2 2.92Å
135I53.4Low43.2Very low68 Ų6897.6 Ų97.635%0.34954%0.541SS..Hα-helixtrans-65.6-46.9171.1-74.8168.6000111.2F131 R133 E137 L139F131-I135 HydrophobicContact CD1-CD1 3.89Å; F131-I135 HydrophobicContact CD2-CD1 4.48Å; F131-I135 HydrophobicContact CE1-CD1 3.5Å; F131-I135 VanDerWaalsContact CE1-CD1 3.5Å; F131-I135 HydrophobicContact CE2-CD1 4.14Å; F131-I135 HydrophobicContact CG-CD1 4.38Å; F131-I135 HydrophobicContact CZ-CD1 3.65Å; F131-I135 WeakPolarHBondContact O-CB 3.38Å; F131-I135 WeakPolarHBondContact O-CG1 3.46Å; F131-I135 PolarHBondContact O-N 3.39Å; R133-I135 VanDerWaalsContact C-N 3.26Å; R133-I135 PolarHBondContact O-N 3.36Å; I135-E137 PolarHBondContact O-N 3.14Å; I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CB 3.24Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.07Å
136S41.3Very low42.7Very low73 Ų73103.5 Ų103.551%0.5155%0.548SS..Hα-helixtrans-62-42.4178.1-171.50000112.7L132 R133 S140L132-S136 WeakPolarHBondContact O-CB 3.34Å; L132-S136 PolarHBondContact O-N 3.16Å; R133-S136 CarbonylContact O-C 3.41Å; R133-S136 WeakPolarHBondContact O-CA 3.45Å; R133-S136 WeakPolarHBondContact O-CB 3.43Å; R133-S136 PolarHBondContact O-N 3.06Å; S136-S140 WeakPolarHBondContact O-CB 3.24Å; S136-S140 PolarHBondContact O-N 3.1Å; S136-S140 VanDerWaalsContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 2.98Å
137E43.8Very low42.1Very low106 Ų106107.2 Ų107.250%0.49556%0.564SS.*Hα-helixtrans-75.3-35.6-179.7-70.6179.3-153.600111.8R133 I135 S140 N141R133-E137 VanDerWaalsContact O-CB 3.31Å; R133-E137 WeakPolarHBondContact O-CB 3.36Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.43Å; I135-E137 PolarHBondContact O-N 3.14Å; E137-S140 WeakPolarHBondContact CA-OG 3.15Å; E137-S140 PolarHBondContact O-OG 3.22Å; E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 VanDerWaalsContact O-N 3.14Å; E137-N141 PolarHBondContact O-ND2 2.79Å
138N42.6Very low41.6Very low106 Ų106107.3 Ų107.357%0.56757%0.57SS**Hα-helixtrans-73.5-40.2172-77.2-73.4000112D134 S140 N141 A142D134-N138 WeakPolarHBondContact O-CB 3.44Å; D134-N138 PolarHBondContact O-N 2.86Å; D134-N138 PolarHBondContact O-ND2 2.92Å; N138-S140 PolarHBondContact O-N 3.17Å; N138-N141 PolarHBondContact O-N 3.2Å; N138-A142 WeakPolarHBondContact O-CB 3.35Å; N138-A142 PolarHBondContact O-N 2.75Å
139L40.3Very low41.2Very low141 Ų141107.6 Ų107.674%0.73858%0.579SS**Hα-helixtrans-63.5-24.6173.9-74.7172000113I135I135-L139 HydrophobicContact CG2-CD1 3.69Å; I135-L139 HydrophobicContact CG2-CG 4.36Å; I135-L139 VanDerWaalsContact O-CB 3.24Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.07Å
140S37.9Very low40.3Very low83 Ų83115.3 Ų115.358%0.5862%0.619SS**Hα-helixtrans-93.1-8.4175.652.50000115S136 E137 N138S136-S140 WeakPolarHBondContact O-CB 3.24Å; S136-S140 PolarHBondContact O-N 3.1Å; S136-S140 VanDerWaalsContact O-N 3.08Å; S136-S140 PolarHBondContact O-OG 2.98Å; E137-S140 WeakPolarHBondContact CA-OG 3.15Å; E137-S140 PolarHBondContact O-OG 3.22Å; N138-S140 PolarHBondContact O-N 3.17Å
141N35.1Very low39.1Very low116 Ų116116.5 Ų116.562%0.6264%0.636SS**Hα-helixtrans-120-9.2179.1-71.6-79.2000115.2E137 N138 F143E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 3.49Å; E137-N141 VanDerWaalsContact O-N 3.14Å; E137-N141 PolarHBondContact O-ND2 2.79Å; N138-N141 PolarHBondContact O-N 3.2Å; N141-F143 PolarHBondContact O-N 3.41Å; N141-F143 VanDerWaalsContact O-N 3.12Å
142A31.6Very low37.9Very low62 Ų62117.5 Ų117.551%0.51265%0.647SS.*  trans-87.655.1-171.400000116.2N138N138-A142 WeakPolarHBondContact O-CB 3.35Å; N138-A142 PolarHBondContact O-N 2.75Å
143F29.9Very low37.2Very low202 Ų202120.4 Ų120.489%0.88666%0.663SS**  trans-137.693.5163.2-90.6-71.7000112.7N141N141-F143 PolarHBondContact O-N 3.41Å; N141-F143 VanDerWaalsContact O-N 3.12Å
144P37.2Very low36.3Very low120 Ų120120.9 Ų120.978%0.77969%0.686SS**  trans-77.6123.4177.530-33000112R146P144-R146 PolarHBondContact O-N 3.22Å; P144-R146 VanDerWaalsContact O-N 3.15Å
145H32.7Very low35.3Very low175 Ų175122.8 Ų122.881%0.8171%0.705SS**  trans-61.3113.7167.8-85.1-71.8000110.7
146R30.5Very low34.3Very low240 Ų240128.5 Ų128.591%0.90673%0.73SS**PPolyproline II helixtrans-99.9122.6170.4-154178.2-162.5-161.65109.8P144P144-R146 PolarHBondContact O-N 3.22Å; P144-R146 VanDerWaalsContact O-N 3.15Å
147P34.4Very low33.7Very low119 Ų119129.5 Ų129.577%0.77374%0.737SS**PPolyproline II helixtrans-71.5148.7179.529.2-34.4000111.5
148A31.4Very low33.1Very low95 Ų95130.7 Ų130.779%0.78575%0.751SS**PPolyproline II helixtrans-71.3140.2178.300000111.7
149P34.4Very low32.5Very low127 Ų127129.7 Ų129.783%0.82576%0.757SS**PPolyproline II helixtrans-79.9129.3178.531.6-33000111.2
150N32.7Very low32.1Very low170 Ų170129.8 Ų129.891%0.90976%0.758SS**PPolyproline II helixtrans-86.5140.8166.9-99-24.4000111
151S27.9Very low31.7Very low103 Ų103132 Ų13272%0.7276%0.763SS**PPolyproline II helixtrans-49.7147176.8179.40000114.4
152L30.5Very low31.5Very low150 Ų150131.4 Ų131.479%0.78577%0.768SS**  -167.6117.7123.5-101.9162.6000114.1
153N31.1Very low31.3Very low147 Ų147137.9 Ų137.979%0.78678%0.781SS**  trans54.6113.9148-66.7-6.3000123.6
154G31.5Very low31.3Very low71 Ų71134.6 Ų134.673%0.73277%0.768SS**  trans101.1150.4134.600000117.4
155S31.2Very low30.9Very low105 Ų105137.7 Ų137.773%0.73477%0.766SS**  cis-166.2138.7-9.8-89.50000110.4
156Q31.4Very low30.8Very low188 Ų188135.5 Ų135.588%0.87976%0.76SS**  trans66.4151.3160.2-63.5169.120.700116.8
157S29.5Very low30.8Very low94 Ų94128 Ų12866%0.65774%0.744SS**  cis-170.1171.8-16.556.90000110.7
158V30.9Very low30.6Very low131 Ų131129.1 Ų129.179%0.79474%0.744SS**  trans70.1108160.9172.90000115.1
159A31.1Very low30.5Very low84 Ų84130.4 Ų130.469%0.69474%0.741SS**  81.3149.569.800000114
160L30.8Very low30.2Very low143 Ų143135 Ų13575%0.74974%0.742SS**  cis-163.5144.51.6-117165.8000111.8
161N29Very low29.9Very low130 Ų130131.6 Ų131.670%0.69573%0.732SS**  trans50.2159.9145.5-777.8000127
162S30.8Very low30.1Very low104 Ų104134.8 Ų134.873%0.72774%0.739SS**  trans91.5123.7159.863.70000118.5
163Y29Very low29.9Very low197 Ų197135.2 Ų135.277%0.77374%0.741SS**  cis78137.544.9-66.6-58.7000113
164Q28.2Very low30.2Very low133 Ų133133.1 Ų133.162%0.62174%0.736SS**  cis-169.7165.9-19.7-157173.1-7.700109.4
165Y30.5Very low30.3Very low186 Ų186135.6 Ų135.673%0.72973%0.732SS**  trans70.4109.7153.6-84.2-55000123.6
166D29.5Very low30.2Very low129 Ų129138.6 Ų138.669%0.6974%0.735SS**  90.1144.4115.5-119.8-48.1000126
167S31.5Very low30.3Very low81 Ų81135 Ų13557%0.56673%0.73SS**  trans69.292.5142.4-81.50000123.9
168N28.8Very low30.4Very low143 Ų143138.3 Ų138.377%0.76574%0.741SS**  79.7148.9117.6-68.3-50.5000123.1
169V29.5Very low30.4Very low122 Ų122136.4 Ų136.474%0.73974%0.739SS**  trans88.4111.4157.2-160.50000120.4
170R29.4Very low30.3Very low224 Ų224139.1 Ų139.185%0.84574%0.741SS**  trans65.4104.5150.8-74.1175.5176.91630.3122.1
171S26.1Very low30.5Very low98 Ų98139.1 Ų139.169%0.68574%0.737SS**  30.1126.8115.763.80000120.9
172I30.7Very low30.5Very low170 Ų170139.7 Ų139.787%0.87274%0.735SS**  -174.4145.4120.9-95.7155.5000110.2
173L28.1Very low30.6Very low160 Ų160141.2 Ų141.284%0.83874%0.735SS**  trans-94.6-177.7174-77.3164000110.1
174P36.5Very low30.6Very low102 Ų102140.4 Ų140.466%0.66274%0.738SS**  cis-137.9-166.52.437.6-15.3000115
175N32.8Very low30.8Very low124 Ų124139.1 Ų139.166%0.66374%0.742SS**  trans64.8120.8148.2-79.834.1000120.9
176E30.1Very low30.8Very low168 Ų168137 Ų13779%0.78574%0.742SS**  81.3114.372-76.6-168.3134.700114.6
177S33.8Very low30.7Very low111 Ų111138.5 Ų138.578%0.77675%0.745SS**  trans-180124.8134.355.30000113.6
178D31.9Very low30.4Very low165 Ų165140 Ų14088%0.88276%0.756SS**  trans46.6136.9142-62.4-53.8000125.8
179A29.4Very low30.4Very low91 Ų91136.6 Ų136.675%0.75275%0.754SS**  trans-63.9175.5170.700000116
180L30.3Very low30.2Very low141 Ų141135.1 Ų135.174%0.73875%0.754SS**  trans-173.5152.7132.1-102.4173.1000113.2
181H34.4Very low30Very low143 Ų143132.7 Ų132.766%0.66276%0.758SS**  trans64.7149.1152.9-70.3-39000120.9
182Q30.1Very low30Very low141 Ų141131.3 Ų131.366%0.65976%0.76SS**  cis-169.4171.3-25.7-143.6175.319.900111
183N32.1Very low29.7Very low137 Ų137130.6 Ų130.673%0.73376%0.757SS**  trans77.3117.2156.3-55.8-33.7000120.8
184Q28.7Very low29.5Very low179 Ų179129.8 Ų129.884%0.83675%0.752SS**  trans-79.4178.1146.8-62.8-175.1-11.500110.1
185P33.5Very low28.9Very low107 Ų107129.6 Ų129.670%0.69575%0.753SS**  -155.3152.497.938.1-19.9000118.1
186L29.6Very low28.7Very low142 Ų142130.1 Ų130.174%0.74376%0.756SS**  trans62.1168.3142.5-63167.4000120.2
187Q26.9Very low28.5Very low159 Ų159126.5 Ų126.574%0.74375%0.748SS**  cis-170.3144.8-47.2-153.4178.742.800111.3
188S25.7Very low28.2Very low114 Ų114129.7 Ų129.780%0.79775%0.748SS**  trans66163.9152.475.70000121.8
189G28.9Very low28.2Very low71 Ų71128.2 Ų128.273%0.73274%0.74SS**  trans91.1101.4167.600000115
190A25.9Very low28.4Very low90 Ų90129.3 Ų129.374%0.74474%0.74SS**  cis97.5121.527.500000115.5
191N24.7Very low28.3Very low173 Ų173126 Ų12693%0.92573%0.733SS**  trans72.3141.8159.3-58.4-25.9000120.9
192G25.7Very low28Very low69 Ų69128.1 Ų128.171%0.71174%0.743SS**  trans101.8138.8161.300000115.2
193L24.2Very low27.8Very low155 Ų155131.4 Ų131.481%0.81275%0.751SS**  cis167156.9-21.5-111.6171000105.5
194I23.9Very low27.5Very low143 Ų143134.7 Ų134.773%0.73375%0.754SS**  trans66.391.2159.8-60.2156.4000115.5
195S25Very low27.3Very low98 Ų98133.5 Ų133.569%0.68575%0.751SS**  88.4157.579.9-1610000115.3
196N27.8Very low26.9Very low136 Ų136139.5 Ų139.573%0.72776%0.759SS**  trans89.9139.1160-59.1-11.1000119.9
197C26.2Very low27Very low91 Ų91138 Ų13862%0.61576%0.758SS**  cis-172.9141.6-32.5-115.10000111.7
198F26.9Very low27.1Very low178 Ų178135.8 Ų135.878%0.78176%0.758SS**  trans69.5141.3152.7-76.5-131.4000117.4
199N31.7Very low27.2Very low135 Ų135136 Ų13672%0.72276%0.759SS**  cis73.3148.946.8-14336.8000110.8
200P34.7Very low27.1Very low114 Ų114136.8 Ų136.874%0.7476%0.759SS**  cis-141.9-175.226.843.7-22.8000118.8
201A26.8Very low27.1Very low72 Ų72136.6 Ų136.660%0.59576%0.757SS**  trans-83.2169.7-177.400000116.4
202Q29.9Very low27.2Very low187 Ų187133.9 Ų133.987%0.87475%0.747SS**  trans-170.1133.7141.5-97.3152.730.100107.7
203Y24.6Very low27.3Very low209 Ų209138.3 Ų138.382%0.8275%0.749SS**  77.7132.251.5-86.6-82.2000115.9
204Y26.9Very low27.4Very low206 Ų206135.3 Ų135.381%0.80874%0.741SS**  trans92.3104.3168.5-71.3-83.1000123
205M23.3Very low27.5Very low155 Ų155135.1 Ų135.176%0.76474%0.741SS**  42.9113.6120.7-69.5-76116.300123.6
206R25.6Very low27.6Very low232 Ų232138.8 Ų138.888%0.87575%0.747SS**  trans58.6170.9131.6-103.5-171.7167.8-176.2-1.4120
207P31.8Very low27.6Very low110 Ų110140.4 Ų140.471%0.71475%0.751SS**  cis-121.9-114.3-16.130.2-4.8000113
208P29.8Very low27.7Very low114 Ų114142.3 Ų142.374%0.7475%0.754SS**  trans-132.5-175.5-142.940.8-17.8000117.8
209S26.3Very low27.9Very low119 Ų119136.5 Ų136.583%0.83273%0.734SS**  trans86.5162.9150.1-152.20000119.7
210A26.8Very low27.6Very low87 Ų87137.9 Ų137.972%0.71973%0.73SS**  trans69.794.9161.200000120.6
211A26.8Very low27.2Very low85 Ų85134.2 Ų134.270%0.70271%0.707SS**  88.3134.4114.100000121.8
212T26.9Very low27.2Very low117 Ų117138.1 Ų138.172%0.71872%0.716SS**  trans61.5135.2145.251.80000119.3
213Q27.1Very low27.1Very low161 Ų161135.1 Ų135.175%0.75271%0.705SS**  cis-152.7131.62-101.6148.612.200106.1
214S26.4Very low27.3Very low93 Ų93130.2 Ų130.265%0.6570%0.699SS**  50.6132.785.780.70000113.8
215L26.7Very low27.3Very low138 Ų138128.1 Ų128.172%0.72370%0.702SS**  cis-147.4129.332.7-73165.6000109.4
216Q26.3Very low27.6Very low175 Ų175131.7 Ų131.782%0.81871%0.707SS**  94.3127.283.8-77.8-175-17.200116.5
217Q28.2Very low27.5Very low171 Ų171125.5 Ų125.580%0.79970%0.699SS**  trans-70.7-174.3176.4-51.5150.4-33.500113
218L27.3Very low27.3Very low131 Ų131124.8 Ų124.869%0.68670%0.697SS**  156.3165.2116.1-84.4-173.5000112.8
219P31.5Very low27.1Very low56 Ų56128.8 Ų128.836%0.36471%0.705SS.*  cis-151173.1-22.538.6-19.2000120.7V866 S867P219-V866 CarbonylContact O-C 3.59Å; P219-S867 CarbonylContact C-O 3.58Å; P219-S867 CarbonylContact O-C 3.53Å; P219-S867 PolarHBondContact O-N 3.07Å
220Y26.3Very low27.2Very low164 Ų164131.2 Ų131.264%0.64370%0.697SS**  trans79.577138.3-68.1-41.8000124.8V866 S867 V868Y220-V866 CarbonylContact O-C 3.51Å; Y220-V866 WeakPolarHBondContact O-CA 3.32Å; Y220-S867 VanDerWaalsContact C-CA 3.5Å; Y220-S867 CarbonylContact O-C 3.6Å; Y220-S867 WeakPolarHBondContact O-CA 3.46Å; Y220-S867 PolarHBondContact O-N 2.89Å; Y220-S867 VanDerWaalsContact O-N 3.16Å; Y220-V868 VanDerWaalsContact C-N 3.35Å
221S26.6Very low27.2Very low37 Ų37133.6 Ų133.626%0.25970%0.703SS.*BIsolated β-bridgetrans-167.2146.7140.4-69.50000110.6V868 M869S221-V868 VanDerWaalsContact CB-N 3.26Å; S221-V868 CarbonylContact O-C 3.11Å; S221-M869 PolarHBondContact O-N 3.24Å
222I25.4Very low27.2Very low153 Ų153134.6 Ų134.679%0.78569%0.693SS**  cis81.799.334.5-54.2167.8000113.6
223I27.7Very low27.3Very low124 Ų124135.5 Ų135.564%0.63670%0.698SS**  trans-121112.4171.3-61.9173.4000108.7M869I223-M869 HydrophobicContact CD1-CE 4.14Å
224P28.8Very low27.2Very low106 Ų106131.1 Ų131.169%0.68868%0.676SS**PPolyproline II helixtrans-82.1130.3153.232.4-28.3000108.5
225N28.1Very low27.2Very low162 Ų162129.6 Ų129.687%0.86667%0.666SS**PPolyproline II helixtrans-68.1139.3-174.4-155.74.1000111.4
226R28.5Very low27.2Very low231 Ų231129 Ų12987%0.87266%0.657SS**PPolyproline II helixtrans-87.3134.2-167.3-74.6-175.7176.61761.3112.4
227S24.3Very low27.3Very low101 Ų101125.9 Ų125.971%0.70665%0.65SS**PPolyproline II helixtrans-88.7162.5152.833.30000110
228S27.1Very low27.3Very low96 Ų96122.6 Ų122.667%0.67165%0.647SS**  trans66.883.7-179.31730000115.3
229E26.2Very low27.4Very low198 Ų198125.6 Ų125.693%0.92566%0.657SS**  trans-76.2134.4142.7-73.3-150.3120.700109.6
230Y28.4Very low27.2Very low169 Ų169126.6 Ų126.666%0.66367%0.67SS**  trans-117.2104.3-174.7-145.3-91.9000105.4H232Y230-H232 VanDerWaalsContact C-N 3.32Å; Y230-H232 HydrophobicContact CD1-CB 4.4Å; Y230-H232 PolarHBondContact O-N 3.36Å
231V26Very low27.4Very low138 Ų138126.2 Ų126.284%0.83668%0.677SS**  trans-70.397172.3177.30000107.4V233V231-V233 HydrophobicContact CG1-CG2 4.45Å; V231-V233 PolarHBondContact O-N 3.2Å
232H28.5Very low27.5Very low105 Ų105129.2 Ų129.249%0.48670%0.698SS.*  trans-95.878.2-168.9-167.9-11.4000110.1Y230 K234 K1324Y230-H232 VanDerWaalsContact C-N 3.32Å; Y230-H232 HydrophobicContact CD1-CB 4.4Å; Y230-H232 PolarHBondContact O-N 3.36Å; H232-K234 WeakPolarHBondContact CE1-CB 3.22Å; H232-K234 WeakPolarHBondContact CE1-CD 3.03Å; H232-K234 WeakPolarHBondContact CE1-CG 3.42Å; H232-K234 PolarHBondContact O-N 3.36Å; H232-K1324 VanDerWaalsContact CE1-CE 3.48Å; H232-K1324 WeakPolarHBondContact CE1-CE 3.4Å; H232-K1324 PolarHBondContact CE1-NZ 3.4Å; H232-K1324 VanDerWaalsContact NE2-CD 3.3Å; H232-K1324 WeakPolarHBondContact NE2-CD 3.38Å; H232-K1324 WeakPolarHBondContact NE2-CE 3.41Å; H232-K1324 PolarHBondContact NE2-NZ 3.42Å; H232-K1324 VanDerWaalsContact NE2-NZ 3.11Å
233V27.1Very low27.6Very low136 Ų136127.8 Ų127.882%0.82470%0.7SS**  trans-64.8118.4168.5-178.70000108.1V231V231-V233 HydrophobicContact CG1-CG2 4.45Å; V231-V233 PolarHBondContact O-N 3.2Å
234K26.2Very low27.7Very low69 Ų69129 Ų12930%0.370%0.703SS.*  trans-149.4136.2179.6-158.6-158.7-177.5-164.20110.3H232H232-K234 WeakPolarHBondContact CE1-CB 3.22Å; H232-K234 WeakPolarHBondContact CE1-CD 3.03Å; H232-K234 WeakPolarHBondContact CE1-CG 3.42Å; H232-K234 PolarHBondContact O-N 3.36Å
235S25.2Very low27.8Very low61 Ų61129.6 Ų129.643%0.42771%0.707SS.*  trans78.7155.4152.8-157.10000118.1
236F27.3Very low27.7Very low126 Ų126126.3 Ų126.355%0.55370%0.696SS**  trans72.6125.7172.5-46.4-67.1000114.7
237T29.5Very low27.6Very low109 Ų109122.4 Ų122.467%0.66969%0.693SS**  cis-151.3137.9-3.25.40000107.5
238S26.4Very low27.8Very low103 Ų103122.1 Ų122.172%0.7269%0.69SS**  62145.490.6-600000115.4
239E29.4Very low27.8Very low194 Ų194122.6 Ų122.691%0.90769%0.689SS**  trans75141.2176-63.3179.7-164.800116
240A28.8Very low27.8Very low76 Ų76121 Ų12163%0.62868%0.682SS**  cis-164.7150.6-14.800000113.2
241I29.4Very low27.9Very low157 Ų157116.3 Ų116.381%0.80568%0.678SS**  trans68.2146.6145.1-68.5163.9000119.5
242S29Very low28.1Very low100 Ų100117.3 Ų117.370%0.69967%0.673SS**  trans62.6122.717646.80000115.9
243C27.8Very low28.1Very low122 Ų122119.4 Ų119.482%0.82469%0.688SS**  cis71.6107.245.1-54.30000113.6
244E29.1Very low28.3Very low150 Ų150120.7 Ų120.770%0.70169%0.689SS**  trans-16.4138.5136.9-83.1-74148.400113.5C246E244-C246 PolarHBondContact OE2-N 2.87Å; E244-C246 PolarHBondContact OE2-SG 2.9Å
245P32.2Very low28.3Very low118 Ų118123 Ų12377%0.76671%0.709SS**  -137.6147.270.238.7-25.4000117N247P245-N247 PolarHBondContact O-N 3.01Å
246C25.1Very low28.7Very low94 Ų94125.9 Ų125.964%0.63573%0.726SS**  trans-39.8122.5145.2-65.70000111.9E244E244-C246 PolarHBondContact OE2-N 2.87Å; E244-C246 PolarHBondContact OE2-SG 2.9Å
247N27.4Very low28.7Very low149 Ų149129.4 Ų129.480%0.79774%0.737SS**  -172.5126.8126.5-107.8-50.3000116.6P245P245-N247 PolarHBondContact O-N 3.01Å
248S27.1Very low28.6Very low94 Ų94132.5 Ų132.566%0.65774%0.742SS**  trans73.3163.7134.385.40000120.8
249V27.6Very low28.8Very low107 Ų107134.9 Ų134.965%0.64875%0.745SS**  trans63.7104.1152.7172.70000115.9
250Q27Very low28.8Very low164 Ų164131.8 Ų131.877%0.76674%0.735SS**  61.8136103.8-59.5167.42400114.3
251A29Very low29Very low70 Ų70134 Ų13458%0.57974%0.74SS**  cis-161.1-170.91.900000109.5
252E30.4Very low29.2Very low160 Ų160131.4 Ų131.475%0.74873%0.733SS**  trans40.6111.5145.2-75.7148.4-118.700119.2
253N28.4Very low29.3Very low149 Ų149130.6 Ų130.680%0.79773%0.732SS**  76.1164.985.6-73.4-36.3000114.6
254L31.2Very low29.6Very low162 Ų162131.5 Ų131.585%0.84873%0.729SS**  trans77.982.6168.1-50.5-175.9000117.8
255V27.6Very low29.9Very low118 Ų118129.3 Ų129.372%0.71573%0.726SS**  trans-34.2140.6137.4176.20000112.8Y257V255-Y257 HydrophobicContact CG1-CD2 3.89Å
256P33.8Very low29.8Very low121 Ų121130.7 Ų130.779%0.78673%0.727SS**  trans-114.4147.8138.1-6.526.8000113.2
257Y25.9Very low30.3Very low200 Ų200131.3 Ų131.378%0.78473%0.73SS**  trans-98.4-158.9179.6-120.7-100.9000111.2V255V255-Y257 HydrophobicContact CG1-CD2 3.89Å
258F27.2Very low30.3Very low174 Ų174128.9 Ų128.976%0.76373%0.725SS**  trans80.9137170.8-42.5-69.5000113.5
259I31.1Very low30.3Very low153 Ų153130.1 Ų130.179%0.78573%0.728SS**  cis-135.7123.334.9-78.8172.3000108.3
260N30.6Very low30.4Very low130 Ų130129.6 Ų129.670%0.69573%0.729SS**  56.3140.6104.1-73.8-13.8000114.5
261V32.5Very low30.7Very low123 Ų123128.4 Ų128.475%0.74573%0.728SS**  cis-176170.422.1101.60000108.5
262P32.7Very low30.8Very low102 Ų102131.2 Ų131.266%0.66273%0.733SS**  cis-130.9-170.4-22.240.5-23.4000113.2
263A32Very low30.8Very low82 Ų82129 Ų12968%0.67873%0.732SS**  trans55.3137.3140.200000121.2
264N33Very low30.9Very low141 Ų141123.6 Ų123.675%0.75471%0.708SS**  cis-157.2147.19.5-120.70.2000112.3
265T36.6Very low30.9Very low105 Ų105122.1 Ų122.164%0.64470%0.697SS**  trans48.3116.2152.655.20000119.3
266D29.4Very low30.9Very low146 Ų146120 Ų12078%0.78169%0.688SS**  73.5147.162.1-72.7-43.3000114.7
267P35.4Very low30.7Very low107 Ų107123.1 Ų123.170%0.69569%0.689SS**  cis-142.4-151.9-37.439.4-20.1000111.3
268S26.9Very low30.7Very low99 Ų99117.6 Ų117.669%0.69268%0.68SS**  trans-57.4168.2159.849.10000114.5
269V29.1Very low30.6Very low119 Ų119116.9 Ų116.972%0.72168%0.681SS**  trans147111.1130.7168.70000112.6
270S29.4Very low30.4Very low97 Ų97117.8 Ų117.868%0.67868%0.679SS**  trans69.8170.6154.487.50000117.5
271N33.1Very low30.3Very low138 Ų138118 Ų11874%0.73869%0.685SS**  cis-147.1171.26.6-135.5-30.6000114.3
272L30.7Very low30.1Very low129 Ų129115 Ų11568%0.67568%0.679SS**  trans-48165169.5-87.1163.1000114.9
273P31Very low30Very low114 Ų114115.6 Ų115.674%0.7469%0.686SS**  cis-142.4163.941.744.6-26.6000120.5
274A29.8Very low29.9Very low35 Ų35119.4 Ų119.429%0.28969%0.689SS.*  trans-72.4163.7154.500000111.1T311A274-T311 VanDerWaalsContact CA-OG1 3.22Å; A274-T311 WeakPolarHBondContact CA-OG1 3.33Å; A274-T311 HydrophobicContact CB-CG2 4.47Å; A274-T311 WeakPolarHBondContact CB-OG1 3.28Å
275E31.2Very low29.8Very low132 Ų132119 Ų11962%0.61769%0.686SS**  trans-141-179.3145.3-111.4-170.9177.400107.9R310E275-R310 VanDerWaalsContact CB-CZ 3.41Å; E275-R310 WeakPolarHBondContact O-CD 3.47Å; E275-R310 VanDerWaalsContact O-CG 3.28Å; E275-R310 WeakPolarHBondContact O-CG 2.9Å; E275-R310 PolarHBondContact O-NE 2.91Å; E275-R310 IonicContact OE2-NH2 2.67Å; E275-R310 PolarHBondContact OE2-NH2 3.48Å; E275-R310 VanDerWaalsContact OE2-NH2 3.09Å
276S27.9Very low29.6Very low74 Ų74120 Ų12052%0.51768%0.684SS.*  trans-150-170.7173.1-74.10000108R310S276-R310 PolarHBondContact O-NH1 2.81Å
277F29.2Very low29.6Very low186 Ų186121.5 Ų121.582%0.81668%0.678SS**  trans63.3171174.7-59.7-87.1000114.5
278S26Very low29.5Very low84 Ų84120.9 Ų120.959%0.58767%0.669SS**  170.9157.7-56.364.10000107.3
279M25.8Very low29.8Very low159 Ų159122.9 Ų122.978%0.78367%0.668SS**  trans69.3121.9151.7-72.9-166.8175.300120
280F26.3Very low30Very low172 Ų172125.6 Ų125.675%0.75467%0.672SS**  trans72.2119.9139.1-81.8-107.9000120.7
281T27.9Very low30.4Very low134 Ų134126.3 Ų126.382%0.82267%0.674SS**  trans57.7123.8143.555.70000118.8
282G29.5Very low30.4Very low59 Ų59124.1 Ų124.161%0.60868%0.675SS**  cis145.2-173.73.700000110.6
283S30Very low30.5Very low116 Ų116122.5 Ų122.581%0.81168%0.675SS**  trans62.1143.7176.3310000115.7
284H30.6Very low30.7Very low161 Ų161125.3 Ų125.375%0.74568%0.678SS**  cis-162.9159.9-8.8-132.9-59.6000108.6
285L29.2Very low31Very low132 Ų132127.2 Ų127.269%0.69169%0.689SS**  trans70140.1156.5-60.7168.9000116.1
286H32.7Very low31.3Very low128 Ų128124.7 Ų124.759%0.59368%0.68SS**  cis-165.3149.6-14.4-137.67.4000109.7
287R30Very low31.8Very low177 Ų177125.4 Ų125.467%0.66868%0.678SS**  trans63.8146.5144.4-71.5-176.7128.2108.6-1118.9
288D32.5Very low32.1Very low94 Ų94121.3 Ų121.350%0.50367%0.668SS.*  cis-157.8151.1-4.9-122-23.4000111.3
289Q33.3Very low32.6Very low141 Ų141122.6 Ų122.666%0.65967%0.673SS**  trans53.8145.5138.7-7316654.100122.1
290H33.6Very low33.1Very low176 Ų176121.7 Ų121.782%0.81567%0.666SS**  cis-163.2176.4-25-126.7-138.8000107.7
291P38.3Very low33.4Very low111 Ų111121.4 Ų121.472%0.72167%0.672SS**  trans-116.4-134.4-14945.5-37.7000112.9
292A32.2Very low33.6Very low93 Ų93119.5 Ų119.577%0.76966%0.66SS**  trans83.7136173.600000115.2
293S34.4Very low33.9Very low94 Ų94121.8 Ų121.866%0.65766%0.664SS**  cis-164141-4.6420000112.9
294Q34.1Very low34Very low173 Ų173123.5 Ų123.581%0.80866%0.662SS**  trans60.8123.5144.1-74.3159.5-31.500118.2
295S36.9Very low34.1Very low75 Ų75123.2 Ų123.252%0.52467%0.665SS.*  72.2138.771.8102.20000111.4
296D37.5Very low34.3Very low80 Ų80121.8 Ų121.843%0.42866%0.663SS.*  cis-144.717012.8-80.4-58000110.8A680D296-A680 PolarHBondContact OD2-N 3.38Å
297N36.7Very low34.1Very low88 Ų88123.6 Ų123.647%0.47167%0.672SS.*  cis-158.1167.511.8-137.5-18.8000115.3R679N297-R679 PolarHBondContact ND2-O 2.78Å
298T36.1Very low34.1Very low101 Ų101120.3 Ų120.362%0.6267%0.672SS**  trans10.6121.2150.952.30000119.2
299T37.6Very low34Very low110 Ų110122.5 Ų122.568%0.67568%0.683SS**  cis69.3150.68.9-34.50000116.9
300H36.1Very low33.9Very low141 Ų141122.1 Ų122.165%0.65368%0.676SS**  trans87.9151.4170.8-49.7-64.4000115.9
301L31.5Very low33.7Very low166 Ų166117.5 Ų117.587%0.86966%0.66SS**  cis-142.3156.828.9-73.2157.5000112.3
302V33.2Very low33.3Very low94 Ų94116.9 Ų116.957%0.5766%0.659SS**  cis-157.4144.7-26.291.40000109.7I304V302-I304 HydrophobicContact CG1-CG1 4.42Å
303P34.9Very low33.1Very low107 Ų107117.5 Ų117.570%0.69566%0.658SS**  trans-99.3149.8165.236.2-31.3000111.7
304I31.8Very low33Very low152 Ų152120.1 Ų120.178%0.77966%0.663SS**  trans-135.3118.2165.8-60.2-176.3000111.1V302V302-I304 HydrophobicContact CG1-CG1 4.42Å
305I32.8Very low32.8Very low154 Ų154119.8 Ų119.879%0.7966%0.662SS**  trans-99.8139.6162.6-52.6157.2000103.1
306P33.4Very low32.5Very low102 Ų102122.3 Ų122.366%0.66268%0.676SS**  -162.3167.166.845.4-23.1000121.1
307Q30.1Very low32.1Very low166 Ų166123.8 Ų123.878%0.77669%0.688SS**  trans45.9136.1133.3-64.9-178.4-8.300125.2
308T29.8Very low31.6Very low108 Ų108129.1 Ų129.166%0.66371%0.707SS**  trans75.7113.7135.451.50000123.7
309N29.6Very low31.3Very low140 Ų140134.1 Ų134.175%0.74972%0.716SS**  46.2114121.8-58.1-5.7000121.2
310R30.6Very low30.8Very low133 Ų133135.4 Ų135.450%0.50272%0.719SS.*  162.891.6120.1-86.7150.8170.9-152.2-4.2109.7E275 S276E275-R310 VanDerWaalsContact CB-CZ 3.41Å; E275-R310 WeakPolarHBondContact O-CD 3.47Å; E275-R310 VanDerWaalsContact O-CG 3.28Å; E275-R310 WeakPolarHBondContact O-CG 2.9Å; E275-R310 PolarHBondContact O-NE 2.91Å; E275-R310 IonicContact OE2-NH2 2.67Å; E275-R310 PolarHBondContact OE2-NH2 3.48Å; E275-R310 VanDerWaalsContact OE2-NH2 3.09Å; S276-R310 PolarHBondContact O-NH1 2.81Å
311T30.2Very low30.4Very low79 Ų79132.5 Ų132.549%0.48571%0.714SS.*  62.311695.655.90000116.8A274A274-T311 VanDerWaalsContact CA-OG1 3.22Å; A274-T311 WeakPolarHBondContact CA-OG1 3.33Å; A274-T311 HydrophobicContact CB-CG2 4.47Å; A274-T311 WeakPolarHBondContact CB-OG1 3.28Å
312S30.5Very low30.3Very low99 Ų99130.1 Ų130.169%0.69271%0.707SS**  175.5126.1120.854.70000116.6
313S28.4Very low30.1Very low106 Ų106133 Ų13374%0.74172%0.719SS**  trans73.4164.9144.378.20000122
314L31.7Very low29.9Very low149 Ų149131.4 Ų131.478%0.7872%0.715SS**  trans63.692.6176.6-54.2-179.5000115.3
315Q29.1Very low30Very low165 Ų165130.3 Ų130.377%0.77171%0.711SS**  98.6131.956.2-87-161.4-13.100112.7
316P30.6Very low29.8Very low128 Ų128130.5 Ų130.583%0.83171%0.708SS**  trans-89.3131.3172.934.6-31.1000111.4
317V29.9Very low29.5Very low111 Ų111133 Ų13367%0.67371%0.711SS**  trans-135.5124.6171.6178.70000110.7Y319V317-Y319 HydrophobicContact CG1-CD2 3.9Å; V317-Y319 HydrophobicContact CG1-CE2 4.45Å; V317-Y319 PolarHBondContact O-N 2.92Å
318K25.4Very low29.7Very low201 Ų201131 Ų13187%0.87470%0.702SS**  trans-76.3113.1164.2-59.7171.9-179.7177.90109
319Y30.3Very low29.8Very low205 Ų205132.9 Ų132.980%0.80470%0.7SS**  trans-143.6108.3143.6-87.8-80.4000105.9V317V317-Y319 HydrophobicContact CG1-CD2 3.9Å; V317-Y319 HydrophobicContact CG1-CE2 4.45Å; V317-Y319 PolarHBondContact O-N 2.92Å
320N27.2Very low29.7Very low137 Ų137133 Ų13373%0.73370%0.701SS**  73.2130.359.1-152.741.2000112.2
321S27.5Very low29.5Very low81 Ų81135.2 Ų135.257%0.56672%0.717SS**  trans76.9110157.8-58.70000120.5
322T28.3Very low29.4Very low116 Ų116135.5 Ų135.571%0.71272%0.722SS**  77.2148.1124.459.30000120.6
323N29.5Very low29.6Very low154 Ų154140.2 Ų140.282%0.82473%0.731SS**  trans74144.3159.5-60.3-15.2000116.4
324A31.8Very low29.8Very low73 Ų73142.1 Ų142.160%0.60373%0.732SS**  cis-168.1164.8-1900000107.7
325N32.9Very low30.1Very low130 Ų130139 Ų13970%0.69572%0.721SS**  trans66.9117158.5-67.621.6000114.5
326E28.7Very low30.3Very low157 Ų157141.1 Ų141.173%0.73472%0.723SS**  66.6139.977.9-68.8177.7148.100112.8
327E27.3Very low30.4Very low155 Ų155142.9 Ų142.972%0.72473%0.725SS**  trans7.9130.5150.3-29.9-171.4140.200118
328H35.1Very low30.5Very low125 Ų125141.2 Ų141.258%0.57973%0.731SS**  -165.814675.2-102.4-4.1000113.3
329K30.4Very low30.7Very low147 Ų147135.3 Ų135.364%0.63973%0.726SS**  trans39.2119131.2-57.6162.7-173.3157.40118.4
330N27.4Very low30.6Very low142 Ų142128.9 Ų128.976%0.75972%0.716SS**  32120114.8-43.7-15.3000117.1
331Q27.9Very low30.6Very low180 Ų180130.8 Ų130.884%0.84172%0.718SS**  -173.5156.297.4-99.31667.200112.7
332S27Very low30.7Very low84 Ų84129.5 Ų129.559%0.58771%0.709SS**  trans22132.8154.358.30000119.1
333F35.5Very low30.7Very low199 Ų199126.9 Ų126.987%0.87371%0.705SS**  -155.6133.268.9-98.7-82.3000112.9
334N32.8Very low30.6Very low145 Ų145125 Ų12578%0.77570%0.699SS**  trans-125.4144.7167.7-171.28.4000106.7
335P38.5Very low30.4Very low84 Ų84127.1 Ų127.155%0.54570%0.7SS.*  trans-150.6158.1132.639.7-24.6000116.6
336Y32.9Very low30.1Very low209 Ų209127.7 Ų127.782%0.8270%0.699SS**  trans70134.7162.8-46.2-52.9000116.3
337L32.5Very low30Very low165 Ų165126.7 Ų126.786%0.86470%0.698SS**SBendcis-152.9141.1-0.2-155.478.4000106.7
338G31.5Very low30Very low77 Ų77125.4 Ų125.479%0.79470%0.696SS**  cis156.6143.8-2.700000108
339G30.4Very low29.6Very low76 Ų76124.6 Ų124.678%0.78470%0.699SS**  cis-142.6-147-8.600000108.3
340A28.3Very low29.5Very low71 Ų71122.6 Ų122.659%0.58770%0.703SS**  cis156.9144.59.800000104.5Y1533A340-Y1533 PolarHBondContact O-OH 3.41Å
341F27.3Very low29.7Very low177 Ų177122.2 Ų122.278%0.77670%0.7SS**  cis179.8103.7-7.8-125.7-61.7000109.2Y1533 E1534F341-Y1533 VanDerWaalsContact C-CE1 3.47Å; F341-Y1533 PolarHBondContact N-OH 3.09Å; F341-Y1533 WeakPolarHBondContact O-CE1 3.21Å; F341-Y1533 PolarHBondContact O-OH 2.84Å; F341-E1534 PolarHBondContact N-OE1 3.37Å
342S29.2Very low29.6Very low53 Ų53119.1 Ų119.137%0.37169%0.69SS.*  trans154.7111.4146.5-175.30000110.8Y1533 E1534S342-Y1533 WeakPolarHBondContact O-CD1 3.35Å; S342-E1534 PolarHBondContact N-OE2 3.37Å; S342-E1534 VanDerWaalsContact N-OE2 3.17Å
343G27.8Very low29.8Very low61 Ų61123.3 Ų123.363%0.62970%0.697SS**  cis83167.735.400000111.7
344V27.1Very low29.4Very low116 Ų116121 Ų12170%0.70369%0.694SS**  trans34.3114.8164.1-82.70000117.1
345N27.9Very low29.4Very low116 Ų116117.6 Ų117.662%0.6269%0.693SS**  -171.5143.765-111.1-18.9000111.7
346Q27.4Very low28.8Very low143 Ų143122.3 Ų122.367%0.66871%0.708SS**  54.7124100.8-77.4-175.564.300116.3
347L26.6Very low28.6Very low136 Ų136118.9 Ų118.971%0.71270%0.703SS**  trans69.5150.8149.4-54164.5000115.1
348N27Very low28.3Very low128 Ų128117.8 Ų117.868%0.68470%0.697SS**  cis-152.5174.8-5-129-3000112.2
349T27.4Very low28.3Very low107 Ų107119.2 Ų119.266%0.65669%0.691SS**  trans-8.1131.7144-130000115.3
350C26.9Very low28.2Very low106 Ų106122.7 Ų122.772%0.71669%0.691SS**  177147.688.1-92.10000108.5
351L31.2Very low28.7Very low134 Ų134124.2 Ų124.270%0.70270%0.695SS**  cis-143.6152.50.2-89.3143000106.5
352D26.9Very low28.7Very low115 Ų115120.4 Ų120.462%0.61569%0.69SS**  54.4130.279.3-100.9-15.8000112.4
353F31.3Very low28.5Very low171 Ų171127 Ų12775%0.7571%0.713SS**  cis-150179.530-109.3-71.1000114.9
354N27.6Very low28.6Very low152 Ų152130.9 Ų130.981%0.81372%0.718SS**  trans-71.3170.5173.5-49.3-66.7000114.7
355G31.3Very low28.7Very low72 Ų72129.6 Ų129.674%0.74271%0.714SS**  trans121.4106174.300000110.5
356E26.3Very low28.7Very low184 Ų184132.1 Ų132.186%0.8672%0.722SS**  cis75143.344.3-141.3-173.9-132.900114
357L29Very low28.6Very low137 Ų137131.3 Ų131.372%0.71773%0.726SS**  trans74.4107.6-177.7-84.869000120.4
358L27Very low28.7Very low141 Ų141129.8 Ų129.874%0.73873%0.727SS**  64.2137.5120.4-63.6175000124.2
359T31.5Very low28.7Very low108 Ų108132.1 Ų132.166%0.66374%0.738SS**  trans65.7111.9144.750.30000122.5
360N28.4Very low28.8Very low149 Ų149131 Ų13180%0.79774%0.741SS**  12156.7115.6-85.3-22.1000120.1
361P37.5Very low28.8Very low102 Ų102132 Ų13266%0.66275%0.747SS**  cis-144.1-171.2-27.738.5-18.4000114.6
362S27.6Very low28.7Very low97 Ų97129.8 Ų129.868%0.67874%0.743SS**  trans74.9130.6143640000123.4
363F26.1Very low28.9Very low192 Ų192132.9 Ų132.984%0.84275%0.753SS**  trans85.5143.5138.7-93.1-124.7000122.7
364I28.5Very low29Very low142 Ų142128.3 Ų128.373%0.72875%0.754SS**  trans83.789152.4-69.4165.3000119.5
365S28.7Very low29.1Very low90 Ų90130.5 Ų130.563%0.62975%0.753SS**  85.1118.6116.784.60000123.2
366H27.7Very low29.1Very low169 Ų169134.6 Ų134.678%0.78276%0.757SS**  72.2132.6122.5-86.1-95.6000123.4
367V26.9Very low29.4Very low125 Ų125130.6 Ų130.676%0.75875%0.747SS**  trans83.8109.3144174.10000118.1
368S27.2Very low29.5Very low105 Ų105130 Ų13073%0.73475%0.749SS**  trans-47.2156.2160.1-32.80000114.4
369L27.4Very low29.5Very low176 Ų176131.9 Ų131.992%0.92175%0.752SS**  -148.8162.9118-112.1161.3000110.7
370A29Very low29.4Very low85 Ų85133.5 Ų133.570%0.70276%0.755SS**  trans-100.5163.6-168.800000112.4
371C28.6Very low29.4Very low126 Ų126134.3 Ų134.385%0.85175%0.754SS**  trans-178.6150141.8-97.80000109.3
372S29.1Very low29.1Very low87 Ų87134.3 Ų134.361%0.60876%0.756SS**  cis-174.8147.6-17.944.10000110.2
373E29.9Very low29Very low180 Ų180137.5 Ų137.584%0.84177%0.766SS**  trans66.3147.8155.1-67.3169.4-165.700120.1
374G33.3Very low29.1Very low75 Ų75131.8 Ų131.877%0.77376%0.76SS**  trans171.943.3-173.300000115.9
375Y30.7Very low29.2Very low198 Ų198130.3 Ų130.378%0.77676%0.76SS**  trans-28.8129.6178.1-79.9-102.5000118.3
376L30.7Very low29.3Very low159 Ų159132.2 Ų132.283%0.83277%0.77SS**  178.5124.5106.6-100.6167.5000114
377P33.1Very low29.5Very low99 Ų99129.8 Ų129.864%0.64377%0.77SS**  trans-114139.517037.1-27.5000113.9
378T31.6Very low29.6Very low126 Ų126131.7 Ų131.777%0.77377%0.77SS**  trans-146.9101167.6-48.30000108.5
379F26.3Very low29.6Very low179 Ų179130.8 Ų130.879%0.78576%0.757SS**  58.9114.488.1-87.1-79.8000116.1
380I30.2Very low29.6Very low142 Ų142128.2 Ų128.273%0.72874%0.743SS**  trans173.7101.9130.5-91.5159.6000105.6
381Q27.6Very low29.5Very low167 Ų167128.9 Ų128.978%0.7874%0.735SS**  66.8138.9100.9-68.7172.4-9.800113.7
382S30.3Very low29.6Very low101 Ų101128.4 Ų128.471%0.70672%0.724SS**  cis-152.5134.74.344.90000109.2
383N26.8Very low29.5Very low165 Ų165133.4 Ų133.488%0.88274%0.735SS**  47.1104.685.9-71.1-8.1000114
384G28.5Very low29.6Very low71 Ų71127.7 Ų127.773%0.73272%0.724SS**  trans-147.1139.7167.900000109.3
385P29.6Very low29.6Very low111 Ų111125.2 Ų125.272%0.72170%0.699SS**  trans-93.3162.8-157.936.2-37.9000115P387P385-P387 WeakPolarHBondContact O-CD 3.38Å
386P31.5Very low29.7Very low130 Ų130117.2 Ų117.284%0.84467%0.672SS**  trans-83.7121.9166.232.6-31.2000112
387P30.8Very low29.9Very low119 Ų119112.6 Ų112.677%0.77365%0.652SS**  trans-112.8135.117412.99.9000112.7P385P385-P387 WeakPolarHBondContact O-CD 3.38Å
388Q28.6Very low29.9Very low164 Ų164113.1 Ų113.177%0.76665%0.65SS**  trans-91.9149.4176-66.7174.1-39.900112.6
389D27.3Very low30.1Very low86 Ų86116.8 Ų116.846%0.4665%0.651SS.*  trans48.9134.7163.6-24.6-49.3000118.5R418D389-R418 IonicContact OD2-CZ 2.62Å; D389-R418 VanDerWaalsContact OD2-CZ 3.29Å; D389-R418 IonicContact OD2-NE 3.09Å; D389-R418 PolarHBondContact OD2-NE 3.31Å; D389-R418 IonicContact OD2-NH2 2.67Å; D389-R418 PolarHBondContact OD2-NH2 3.39Å
390I27.6Very low30.6Very low123 Ų123113.8 Ų113.863%0.63165%0.649SS**  -160.8128.566.8-83.3179.4000111.3
391N28Very low30.5Very low98 Ų98112.4 Ų112.452%0.52465%0.647SS.*  trans25.1126.1145.3-56.8-13.2000123.7N417N391-N417 PolarHBondContact ND2-ND2 3.44Å
392N29.8Very low30.6Very low117 Ų117112.7 Ų112.763%0.62665%0.654SS**  70.4149.1129.4-65.6-16.7000121
393F28.1Very low30.6Very low192 Ų192114.9 Ų114.984%0.84265%0.653SS**  cis-153.5169.3-3.8-104.8-35.2000109.1
394G32.3Very low30.9Very low59 Ų59115.1 Ų115.161%0.60865%0.654SS**  cis178.7-59.2-2.700000115.9R706G394-R706 PolarHBondContact O-NH1 2.85Å
395G32.7Very low30.9Very low23 Ų23120.5 Ų120.524%0.23766%0.658CS.*  trans-140-179.1-164.800000114.2R706G395-R706 CarbonylContact C-O 3.58Å
396C32.2Very low30.9Very low31 Ų31122.2 Ų122.221%0.20965%0.651CS.*  cis-163.5174.3-20.5-1010000107.3R706 P707 T708C396-R706 VanDerWaalsContact CA-CZ 3.49Å; C396-R706 VanDerWaalsContact CA-NE 3.33Å; C396-R706 PolarHBondContact N-O 3.05Å; C396-R706 CarbonylContact O-C 3.6Å; C396-R706 WeakPolarHBondContact O-CG 3.36Å; C396-P707 CarbonylContact C-O 3.34Å; C396-P707 CarbonylContact O-C 3.56Å; C396-P707 WeakPolarHBondContact O-CA 3.06Å; C396-P707 WeakPolarHBondContact O-CD 3.31Å; C396-T708 HydrophobicContact CB-CG2 4.22Å
397S35.9Very low30.8Very low61 Ų61122.5 Ų122.543%0.42764%0.643SS.*  cis176.8-167.2-21.4-85.90000106.7R706S397-R706 PolarHBondContact OG-NH2 2.9Å
398N33.3Very low30.7Very low111 Ų111124.7 Ų124.759%0.59464%0.643SS**  trans81.3154.2175.9-51.1-10.4000114.1
399Y34.7Very low30.7Very low203 Ų203120.4 Ų120.480%0.79664%0.642SS**  cis-170.4164.8-19.9-95.1-27000107.5
400P36.4Very low30.9Very low115 Ų115122.3 Ų122.375%0.74766%0.659SS**  cis-127.8171.4-27.138.9-24.2000112.7
401V27.9Very low30.9Very low114 Ų114127.1 Ų127.169%0.69167%0.671SS**  trans-136.6142.6171.8174.20000108.9Q403V401-Q403 HydrophobicContact CG1-CG 4Å
402N29.6Very low31.2Very low172 Ų172129.1 Ų129.192%0.9268%0.681SS**  trans-79.2115.3165.9-93.3-4.6000109.3
403Q30.6Very low31.2Very low148 Ų148130.1 Ų130.169%0.69269%0.687SS**  trans-143.8118.1179.5-102.2179.6-16.900110.5V401 F405V401-Q403 HydrophobicContact CG1-CG 4Å; Q403-F405 WeakPolarHBondContact O-CD2 3.45Å
404D32.7Very low31.3Very low169 Ų169128.7 Ų128.790%0.90469%0.687SS**  trans-134.8140.7164.7-76.7-53.9000109.1
405F30.5Very low31.2Very low184 Ų184130 Ų13081%0.80770%0.7SS**  -143.3142.6-59.6-135.7-77.9000106.4Q403Q403-F405 WeakPolarHBondContact O-CD2 3.45Å
406Y28.2Very low31.1Very low148 Ų148132.5 Ų132.558%0.5873%0.727SS**  trans-127.4158.6-175.9-125.8-87000109.5K1082Y406-K1082 WeakPolarHBondContact OH-CD 3.39Å; Y406-K1082 WeakPolarHBondContact OH-CE 3.41Å; Y406-K1082 PolarHBondContact OH-NZ 2.92Å
407M29Very low31.1Very low136 Ų136135.3 Ų135.367%0.6774%0.739SS**  trans75.5139.6158.4-67.9-45.8-152.200123
408H30.1Very low30.9Very low165 Ų165138.9 Ų138.976%0.76474%0.743SS**  trans52.2113.4138.3-59.9-47.9000123.5
409G28.2Very low30.7Very low73 Ų73139.9 Ų139.975%0.75375%0.754SS**  94.4141112.500000119.4
410P31.7Very low30.3Very low126 Ų126135.6 Ų135.682%0.81875%0.749SS**  trans-116.3117163.835-22.4000112.6
411Y27Very low29.9Very low225 Ų225138 Ų13888%0.88275%0.75SS**  trans-149.9143.7169.2-111.6-73.2000111.9
412N35.4Very low29.9Very low139 Ų139140.6 Ų140.674%0.74375%0.754SS**  trans-139150.1164.7-78.8-70.7000108.9
413N28.8Very low29.9Very low138 Ų138136.1 Ų136.174%0.73874%0.741SS**  cis87.4148.217.1-157.211.7000115.5
414L30.9Very low29.7Very low163 Ų163134.2 Ų134.285%0.85374%0.744SS**  trans63.3125.6-164.3-52.5176.5000114.1
415G29.7Very low29.4Very low85 Ų85130.9 Ų130.988%0.87673%0.734SS**  cis139.1113.9-12.600000113.9
416G31.2Very low29.3Very low77 Ų77130.2 Ų130.279%0.79473%0.733SS**  trans-178.9149.3177.100000114
417N31.5Very low29.4Very low90 Ų90130.6 Ų130.648%0.48174%0.74SS.*  trans-110.1149.9-162.4-83.31.5000116.7N391N391-N417 PolarHBondContact ND2-ND2 3.44Å
418R31.2Very low29.4Very low135 Ų135129.5 Ų129.551%0.50974%0.741SS.*  trans35.5127.6140.8-65.6-175170.8-159.5-3.7122.4D389D389-R418 IonicContact OD2-CZ 2.62Å; D389-R418 VanDerWaalsContact OD2-CZ 3.29Å; D389-R418 IonicContact OD2-NE 3.09Å; D389-R418 PolarHBondContact OD2-NE 3.31Å; D389-R418 IonicContact OD2-NH2 2.67Å; D389-R418 PolarHBondContact OD2-NH2 3.39Å
419T28.6Very low29.4Very low132 Ų132126.8 Ų126.881%0.8174%0.736SS**  -154.1132.4104.432.60000107.4
420V28Very low29.4Very low114 Ų114130.4 Ų130.469%0.69174%0.738SS**  60109.969.8-178.70000109
421E26.7Very low29.2Very low164 Ų164127.2 Ų127.277%0.76673%0.729SS**  -148171.853.8-72.3-170.5152.200116.4
422H28.7Very low29.2Very low170 Ų170123.8 Ų123.879%0.78773%0.725SS**  trans24.9145.6143.4-64.5-59000123.2
423A28.4Very low28.8Very low78 Ų78122.8 Ų122.865%0.64572%0.724SS**  cis-169.9161.6-900000113.1
424S26.2Very low28.7Very low107 Ų107121.7 Ų121.775%0.74872%0.722SS**  trans51.5134.4148.2-53.30000124
425S27.5Very low28.4Very low99 Ų99120.7 Ų120.769%0.69272%0.717SS**  trans58.8140.8135.4610000120.7
426E28.3Very low28.6Very low171 Ų171121.9 Ų121.980%0.79971%0.712SS**  cis-162.8-1735.8-121.9164.4-146.500112.4
427H30.6Very low28.6Very low156 Ų156122.9 Ų122.972%0.72271%0.705SS**  trans-21.8156.4159.7-64.2-58.4000119
428T27.9Very low28.5Very low113 Ų113129.2 Ų129.269%0.69372%0.724SS**  cis-164.6141.52.58.20000113.7
429T30Very low28.2Very low108 Ų108125.9 Ų125.966%0.66373%0.731SS**  trans32.5133.7139.959.20000125.3
430N28.9Very low28.2Very low148 Ų148125.2 Ų125.279%0.79173%0.729SS**  trans86.9141.1136.9-64.4-9.9000122.4
431G28.2Very low28Very low60 Ų60125.2 Ų125.262%0.61973%0.729SS**  trans84.7144.5165.500000116.2
432L26.6Very low28.1Very low153 Ų153125 Ų12580%0.80173%0.728SS**  cis-149.3162.6-11.4-101.2173.6000110.5
433V26.8Very low27.9Very low118 Ų118125.2 Ų125.272%0.71572%0.723SS**  trans-27.5130.4171.6-171.90000117.2
434T25.9Very low27.8Very low114 Ų114123.5 Ų123.570%0.69971%0.713SS**  177.4148.511728.80000113.4
435N26.1Very low28.3Very low142 Ų142123.8 Ų123.876%0.75971%0.712SS**  trans44.7105.2155-53.4-28.6000118.4
436S33.9Very low28.1Very low111 Ų111127.4 Ų127.478%0.77672%0.718SS**  54.6116.672.7-163.10000112.1
437P30.6Very low28Very low97 Ų97127.8 Ų127.863%0.6372%0.717SS**  -139.2-176.775.424.6-1.7000115.5
438Y29.9Very low27.8Very low224 Ų224127.9 Ų127.988%0.87872%0.716SS**  trans67.899.1174.2-50.8-71.4000115.1
439G25.5Very low27.6Very low64 Ų64129 Ų12966%0.6671%0.713SS**  cis109.4122.712.900000110.7
440P26.7Very low27.5Very low119 Ų119131.2 Ų131.277%0.77372%0.716SS**  trans-76.1135-177.931.6-33.9000110.8Q442P440-Q442 VanDerWaalsContact C-N 3.29Å; P440-Q442 PolarHBondContact O-N 3.2Å
441V25.3Very low27.4Very low114 Ų114129.4 Ų129.469%0.69171%0.71SS**  trans-82.977.6175.5-172.60000110.2Y443 Y822V441-Y443 HydrophobicContact CG1-CD2 4.48Å; V441-Y822 HydrophobicContact CG1-CE2 4.13Å
442Q27.7Very low27.3Very low159 Ų159134.4 Ų134.474%0.74372%0.722SS**  trans-72.3115153.3-79.7-179.9-59.200109.1P440P440-Q442 VanDerWaalsContact C-N 3.29Å; P440-Q442 PolarHBondContact O-N 3.2Å
443Y25.7Very low27.4Very low175 Ų175137 Ų13769%0.68672%0.722SS**  trans-155.3149.2149.7-83.2-71.8000106.8V441 H820V441-Y443 HydrophobicContact CG1-CD2 4.48Å; Y443-H820 PolarHBondContact O-CD2 3.41Å
444G26.3Very low27.8Very low41 Ų41136.1 Ų136.142%0.42372%0.719SS.*  cis148.1122.10.200000109.6H820G444-H820 PolarHBondContact N-NE2 3.22Å
445P35.2Very low28Very low114 Ų114141.4 Ų141.474%0.7473%0.726SS**  trans-91.7145.2-159.534-36.8000115.8
446Q25.2Very low28.1Very low175 Ų175137.1 Ų137.182%0.81872%0.716SS**  trans-165.4130.6153-104.6142.592.900107.7
447K25.2Very low27.8Very low178 Ų178135.7 Ų135.777%0.77470%0.702SS**  53.1124.471.6-56.3-180-179.41750110.4
448F25.7Very low28.3Very low158 Ų158136.3 Ų136.369%0.69371%0.709SS**  cis-138.7152.235.4-90-105000111.9
449Q25.3Very low28.4Very low136 Ų136131.3 Ų131.364%0.63670%0.704SS**  37.8129.8100-43.9-178.1-11.400114.2
450H27.4Very low28.7Very low156 Ų156132.8 Ų132.872%0.72271%0.71SS**  cis-141.2148.630.6-77.4-102.6000110.4
451T26.1Very low29.5Very low109 Ų109133.6 Ų133.667%0.66972%0.715SS**  64.797.357.3-37.80000114.4
452L26.7Very low29.6Very low166 Ų166131.3 Ų131.387%0.86972%0.715SS**  177.6150.1122.1-92.7164.9000113.9
453Y28.5Very low29.7Very low208 Ų208132 Ų13282%0.81672%0.723SS**  trans-87.7-168.4171.4-79.6-92.6000110.8
454P35.9Very low29.8Very low99 Ų99132.3 Ų132.364%0.64373%0.731SS**  cis-137.9171-5.621.64.1000117.9
455R28.9Very low29.9Very low224 Ų224138 Ų13885%0.84575%0.751SS**  trans60.2168.7151.5-75174.3170.5157.1-2118N891R455-N891 VanDerWaalsContact C-ND2 3.31Å; R455-N891 WeakPolarHBondContact CB-OD1 3.46Å; R455-N891 PolarHBondContact O-ND2 2.81Å; R455-N891 PolarHBondContact O-OD1 2.68Å; R455-N891 VanDerWaalsContact O-OD1 3.13Å
456G29Very low29.4Very low53 Ų53139.2 Ų139.255%0.54675%0.751SS.*  cis120.986.5-7.300000117.4N891G456-N891 PolarHBondContact N-ND2 2.75Å; G456-N891 PolarHBondContact N-OD1 3.26Å; G456-N891 VanDerWaalsContact N-OD1 3.07Å
457V28Very low29.5Very low80 Ų80138.1 Ų138.149%0.48575%0.75SS.*  trans-157.3142.3156.6157.50000110.6N891V457-N891 HydrophobicContact CB-CB 3.8Å; V457-N891 HydrophobicContact CG2-CB 3.89Å
458S39.3Very low29.5Very low110 Ų110136.8 Ų136.877%0.76975%0.746SS**  trans-115.4160.1167.5-52.10000112
459P33.4Very low29.8Very low120 Ų120135 Ų13578%0.77975%0.748SS**  -128.2148.5121.45.416.6000111
460A32.3Very low30Very low95 Ų95134.3 Ų134.379%0.78576%0.755SS**  cis91.6145.549.900000113
461P41.6Very low30.1Very low135 Ų135133.5 Ų133.588%0.87776%0.756SS**  trans-105167.1-150.640.1-36.2000115.4
462G27.8Very low30.3Very low67 Ų67134.5 Ų134.569%0.69177%0.766SS**  trans-173.1148.2169.100000115.2
463D30.9Very low30.4Very low173 Ų173131 Ų13193%0.92576%0.761SS**  trans67.1145.8153.1-60.3-24.2000124.4
464Q26.5Very low30.4Very low182 Ų182124.5 Ų124.585%0.8576%0.757SS**  trans-94.5159.7-177.2-51.5163.42100109.9
465L29.5Very low30.2Very low159 Ų159125.8 Ų125.883%0.83276%0.763SS**  trans159.5101.8147.8-87.7159.7000105.8
466N24.6Very low30.2Very low141 Ų141120.5 Ų120.575%0.75475%0.751SS**  55.7100.764.4-168.738.7000113.3
467I26.8Very low30.3Very low152 Ų152125.1 Ų125.178%0.77976%0.764SS**  trans-168.9161150.2-100.5150.7000110
468Q25.6Very low30.4Very low149 Ų149130.5 Ų130.570%0.69678%0.777SS**  trans-70.3153.2-149.8-76.990.4-40.100121
469V31Very low30.2Very low121 Ų121131.1 Ų131.173%0.73378%0.778SS**  trans-17.4153.7132.5-990000117N471V469-N471 HydrophobicContact CG1-CB 4.15Å
470P31.2Very low29.9Very low122 Ų122133 Ų13379%0.79278%0.778SS**  -129.8160.350.938.1-22.2000115.3
471N29.1Very low30.1Very low139 Ų139135 Ų13574%0.74377%0.772SS**  cis81.993.128.7-164.639.3000115.9V469V469-N471 HydrophobicContact CG1-CB 4.15Å
472C29.2Very low30Very low129 Ų129134.2 Ų134.287%0.87277%0.766SS**  trans179152.3158-101.50000109.9
473A29.3Very low30.2Very low92 Ų92135.7 Ų135.776%0.7676%0.762SS**  cis-168.3133.6-27.700000110.8
474G28.9Very low30.1Very low72 Ų72133.5 Ų133.574%0.74275%0.75SS**  trans75169.3162.900000117.9
475V31.4Very low30.4Very low126 Ų126130.3 Ų130.376%0.76474%0.743SS**  cis-142.5125.2-3179.30000111.4
476N29.4Very low30.3Very low113 Ų113130.4 Ų130.460%0.60474%0.741SS**  trans17.3137.9147.5-40.1-19.2000119.9
477N30.7Very low30.6Very low150 Ų150129.8 Ų129.880%0.80274%0.742SS**  -162.8137.169-93.6-48.9000117.2
478Y29.8Very low30.7Very low193 Ų193129 Ų12976%0.75774%0.74SS**  trans-39.8176.6160.7-72.8-84.1000119.2
479P34.4Very low30.9Very low124 Ų124127.7 Ų127.781%0.80574%0.742SS**  cis-131-177.112.6224.2000118.4
480M28.6Very low30.8Very low158 Ų158128.4 Ų128.478%0.77874%0.741SS**  trans-135.3161.3-174-102.3-81.2-155.800111.5
481H36.7Very low30.7Very low139 Ų139129 Ų12964%0.64474%0.742SS**  trans66.1163.4156.7-86.2-53000118.5V483H481-V483 HydrophobicContact CB-CG2 3.8Å; H481-V483 PolarHBondContact ND1-N 2.84Å
482P38.5Very low31Very low117 Ų117125.5 Ų125.576%0.7674%0.739SS**  cis-87.8166.947.2-17.436.1000117
483V31.9Very low31.4Very low99 Ų99125 Ų12560%0.673%0.734SS**  cis80.6135.613.6-1760000111.7H481H481-V483 HydrophobicContact CB-CG2 3.8Å; H481-V483 PolarHBondContact ND1-N 2.84Å
484D29.5Very low31.4Very low126 Ų126128.5 Ų128.567%0.67473%0.734SS**  cis-161.6178.735.2-146.7-26.5000114.7
485T32.4Very low31.5Very low115 Ų115134.2 Ų134.271%0.70674%0.739SS**  trans74145.8148.8-61.60000119.4
486M27.1Very low31.2Very low162 Ų162135 Ų13580%0.79874%0.738SS**  cis173.3-177.1-43.2-105.6-158.7-16600108.3
487V30.5Very low31.4Very low127 Ų127132.9 Ų132.977%0.7774%0.743SS**  trans75.3102.8167.7-167.20000114.9
488N29.4Very low31.6Very low137 Ų137132.1 Ų132.173%0.73375%0.747SS**  cis80.3117.720.5-152.920.4000116.2
489T30.4Very low31.6Very low120 Ų120128.4 Ų128.474%0.73675%0.749SS**  trans174.3105157.6-75.70000107.5
490L28.8Very low31.3Very low137 Ų137127.4 Ų127.472%0.71775%0.751SS**  64.9125.879.7-75.8150.1000112.6
491V28.7Very low31.1Very low134 Ų134127.8 Ų127.881%0.81276%0.756SS**  -165160.666.3165.30000110.5
492G35.6Very low30.6Very low66 Ų66124.3 Ų124.368%0.6876%0.758SS**  trans-82.2-137.8170.900000113.8
493P37.7Very low30.1Very low118 Ų118128.1 Ų128.177%0.76677%0.765SS**  cis-108.9162.21.611.114.3000112.8
494Q29.2Very low29.8Very low165 Ų165126.9 Ų126.977%0.77177%0.766SS**  64.797.859.1-70.9-95.127.800115.9
495F30.4Very low29.7Very low192 Ų192129.2 Ų129.284%0.84277%0.772SS**  trans-156.8104146.1-100.7-85.3000106.2
496L26.6Very low29.5Very low142 Ų142128.3 Ų128.374%0.74376%0.763SS**  71.3124.684.8-73.6166.6000114.2
497G33Very low29.6Very low69 Ų69122.3 Ų122.371%0.71174%0.743SS**  trans-81.7-161.1175.500000113.7
498P34.8Very low29.5Very low135 Ų135118.1 Ų118.188%0.87772%0.721SS**  -144.2-178.168.841.3-25.2000116.1
499S28.6Very low29.4Very low115 Ų115114.4 Ų114.480%0.80472%0.715SS**  trans-65.2154.3175.2-40.10000114.6
500A28.4Very low29.1Very low102 Ų102117.4 Ų117.484%0.84372%0.718SS**  trans-148.2136.1149.400000112.4
501N25.7Very low29Very low167 Ų167118 Ų11889%0.89372%0.717SS**  trans-67.8160.1-172.3-56.2-42.4000115.5
502G26.6Very low28.8Very low66 Ų66117 Ų11768%0.6871%0.708SS**  trans151.288.616400000111.3
503H26.7Very low28.7Very low196 Ų196121 Ų12191%0.90771%0.713SS**  60130.488.7-80.117.8000115
504A26.9Very low28.3Very low74 Ų74120.7 Ų120.761%0.61271%0.711SS**  cis-168164.2-13.400000110.6
505Q26.6Very low28.1Very low175 Ų175117.8 Ų117.882%0.81870%0.704SS**  trans65.7129.3164.5-50.2177.818.500116
506N28Very low27.9Very low96 Ų96114.3 Ų114.351%0.51370%0.703SS.*  cis-164-167.9-8-111.7-60.3000105.4I883 N884N506-I883 HydrophobicContact CB-CB 4.05Å; N506-I883 HydrophobicContact CB-CD1 3.71Å; N506-I883 HydrophobicContact CB-CG1 3.54Å; N506-I883 HydrophobicContact CB-CG2 3.57Å; N506-N884 HydrophobicContact CB-CB 4.49Å; N506-N884 PolarHBondContact OD1-ND2 3.47Å
507G28.7Very low27.8Very low36 Ų36110.9 Ų110.937%0.37170%0.703SS.*  cis150.11652.700000111.4I883 N884G507-I883 WeakPolarHBondContact O-CA 3.49Å; G507-I883 PolarHBondContact O-N 2.87Å; G507-N884 VanDerWaalsContact CA-CG 3.49Å; G507-N884 VanDerWaalsContact CA-ND2 3.28Å; G507-N884 WeakPolarHBondContact CA-ND2 3.4Å
508A28.5Very low27.4Very low38 Ų38115.6 Ų115.631%0.31471%0.711SS.*  trans38.2137.6166.100000122.4G882 I883 N884A508-G882 WeakPolarHBondContact O-CA 3.38Å; A508-I883 PolarHBondContact O-N 3.13Å; A508-N884 WeakPolarHBondContact CA-OD1 3.14Å; A508-N884 VanDerWaalsContact CB-CA 3.5Å; A508-N884 HydrophobicContact CB-CB 4.06Å; A508-N884 WeakPolarHBondContact CB-OD1 3.24Å; A508-N884 PolarHBondContact N-OD1 2.84Å
509G27Very low26.9Very low59 Ų59117.6 Ų117.661%0.60870%0.702SS**  cis80148.2-3.300000116.8
510F25.5Very low26.8Very low183 Ų183117.2 Ų117.280%0.80369%0.688SS**  cis-166.4135.5-6.1-129.2-89.6000109.1
511Q26.9Very low26.7Very low149 Ų149115.4 Ų115.470%0.69667%0.669SS**  trans59.8149.8148.9-91.2-179.64.700125.4
512N24.4Very low26.7Very low113 Ų113114 Ų11460%0.60466%0.66SS**  trans81.3105.4144.9-62.1-18.8000123.7
513L33Very low26.7Very low151 Ų151117.1 Ų117.179%0.79166%0.66SS**  65.7160.9129.9-68.1163.5000118.8
514P28.9Very low26.8Very low111 Ų111116 Ų11672%0.72166%0.655SS**  cis-141.2166.318.745.3-27.4000119
515V25.7Very low27.3Very low105 Ų105117 Ų11764%0.63666%0.655SS**  25.7121.6127.7-169.40000121.2
516S24.7Very low27.4Very low118 Ų118118.2 Ų118.283%0.82566%0.658SS**  trans65134147.3-620000123
517G24.7Very low27.7Very low71 Ų71120.3 Ų120.373%0.73267%0.669SS**  trans90157.8169.200000113.9
518L25.6Very low28Very low168 Ų168124.1 Ų124.188%0.8869%0.687SS**  cis-144156.30.9-86.5171.2000111.6
519Y24Very low27.9Very low176 Ų176127 Ų12769%0.6971%0.705SS**  trans-7.2140.9140.8-99.2-115.8000118.3H860Y519-H860 WeakPolarHBondContact CE1-O 3.49Å
520Q26Very low28.1Very low108 Ų108131.8 Ų131.851%0.50572%0.715SS.*  trans56.3148.9130.4-118.363.414.900119.5H860 Q861Q520-H860 HydrophobicContact CG-CB 3.55Å; Q520-Q861 PolarHBondContact NE2-O 3.12Å
521S25.9Very low28.2Very low63 Ų63130 Ų13044%0.44171%0.709SS.*  cis-177.4175.627.4-165.80000110.7
522L26Very low28.3Very low137 Ų137129.9 Ų129.972%0.71771%0.712SS**  trans69.8150.1162.4-43.3-179000117.6
523I27.7Very low28.5Very low132 Ų132131.9 Ų131.968%0.67772%0.718SS**  cis-161.7124.8-26-112.2169.4000105.2
524Q28.8Very low28.3Very low173 Ų173128.9 Ų128.981%0.80871%0.714SS**  80.1166.691-116.1-161.258.900115.1
525P36.9Very low28.3Very low94 Ų94133.5 Ų133.561%0.6173%0.726SS**  -134.3-177.9-109.143.1-26000116.4
526K28.8Very low28.4Very low202 Ų202133.2 Ų133.288%0.87874%0.735SS**  175.7146.4125.5-97162.6-175.9179.30117.9
527D33.1Very low28.7Very low140 Ų140134.4 Ų134.475%0.74974%0.737SS**  trans-57.6172.2163.8-95.9-69000115.8
528P35.5Very low29.1Very low115 Ų115138.9 Ų138.975%0.74774%0.738SS**  cis-153157.640.742.3-20.3000123.1
529S27.8Very low29.5Very low99 Ų99136.4 Ų136.469%0.69273%0.733SS**  trans19.6141.4134.7-50.50000124.8
530I29.5Very low29.9Very low159 Ų159134.3 Ų134.382%0.81574%0.738SS**  176.8112.4127-92154.3000109.5
531H28.5Very low30.3Very low146 Ų146134.2 Ų134.268%0.67675%0.749SS**  67.2115.192.2-123.9-77.8000115.7
532I29.9Very low30.9Very low146 Ų146136 Ų13675%0.74975%0.754SS**  177.4123.797.7-85.8155.1000105.8
533Q28.1Very low31.4Very low156 Ų156136.2 Ų136.273%0.72976%0.756SS**  69.5130.164.3-159.9175.512.200113.7
534A28.4Very low32Very low87 Ų87136.5 Ų136.572%0.71975%0.754SS**  cis171138.5-25.600000106.2
535Q28.5Very low32.4Very low209 Ų209134.9 Ų134.998%0.97775%0.747SS**  trans-164.9157.1158.4-112.8167.223.500110.1
536A27.8Very low32.4Very low99 Ų99136.9 Ų136.982%0.81875%0.748SS**  trans-127.2149.6-159.300000114.3
537V32Very low32.7Very low142 Ų142130.9 Ų130.986%0.86173%0.731SS**  trans-137.2140.5164.1-179.60000109.4
538Q32.1Very low33Very low165 Ų165126.8 Ų126.877%0.77172%0.717SS**  trans-26.3139.8176.5-59.7-721.300117.6
539P35Very low33.5Very low117 Ų117124 Ų12476%0.7670%0.704SS**  trans-81.3144.1168.634.5-33.2000112.2
540V32.4Very low34.1Very low131 Ų131125.3 Ų125.379%0.79470%0.702SS**  trans-128.7113.8166.3-177.80000108
541S34.2Very low34.5Very low107 Ų107124.7 Ų124.775%0.74869%0.694SS**  trans-90.3114.2-172.852.70000112.4
542N37.1Very low35.4Very low101 Ų101120.2 Ų120.254%0.5468%0.682SS.*  trans-118.64.5176.4-92-8.5000114.3Q544 Q545N542-Q544 PolarHBondContact O-N 2.82Å; N542-Q545 PolarHBondContact O-N 3.22Å
543D37.2Very low36.3Very low140 Ų140119.2 Ų119.275%0.74967%0.674SS**THydrogen-bonded Turntrans-71.70.3-171.9-60.5-46.4000115.1
544Q39.6Very low37.4Very low138 Ų138115.9 Ų115.965%0.64567%0.665SS**THydrogen-bonded Turntrans-100.7-3.9175.9-155.2159.7-700113.4N542N542-Q544 PolarHBondContact O-N 2.82Å
545Q38.3Very low38.5Very low140 Ų140117 Ų11765%0.65466%0.658SS**THydrogen-bonded Turntrans-101.5-28.4173.1-81.1-173.9-21.900114.1N542 A548 A549N542-Q545 PolarHBondContact O-N 3.22Å; Q545-A548 PolarHBondContact O-N 3.44Å; Q545-A549 WeakPolarHBondContact O-CB 3.3Å; Q545-A549 PolarHBondContact O-N 3.38Å
546Q37Very low39.4Very low136 Ų136114 Ų11464%0.63664%0.644SS**Hα-helixtrans-73.1-35.1-177.7-66.3-167.55.400113.5A549 L550Q546-A549 PolarHBondContact O-N 2.82Å; Q546-L550 PolarHBondContact O-N 3.3Å
547S35.8Very low40.4Very low75 Ų75114.7 Ų114.752%0.52463%0.631SS.*Hα-helixtrans-67.1-43.6172.348.60000111.8L550 F551S547-L550 PolarHBondContact O-N 3.15Å; S547-F551 WeakPolarHBondContact O-CB 3.47Å; S547-F551 PolarHBondContact O-N 3.1Å
548A39.7Very low40.9Very low55 Ų55115.5 Ų115.546%0.45562%0.624SS.*Hα-helixtrans-62.1-41172.400000112Q545 F551 A552Q545-A548 PolarHBondContact O-N 3.44Å; A548-F551 PolarHBondContact O-N 2.78Å; A548-A552 WeakPolarHBondContact O-CB 3.39Å; A548-A552 PolarHBondContact O-N 3.49Å
549A44.3Very low41.5Very low57 Ų57110.2 Ų110.247%0.47161%0.608SS.*Hα-helixtrans-68-40.2177.400000112.7Q545 Q546 H553Q545-A549 WeakPolarHBondContact O-CB 3.3Å; Q545-A549 PolarHBondContact O-N 3.38Å; Q546-A549 PolarHBondContact O-N 2.82Å; A549-H553 WeakPolarHBondContact O-CB 3.33Å; A549-H553 PolarHBondContact O-N 2.88Å
550L41.5Very low41.7Very low125 Ų125106.1 Ų106.165%0.65459%0.585SS**Hα-helixtrans-66.7-40.6173.8-109.498.5000112Q546 S547 T554Q546-L550 PolarHBondContact O-N 3.3Å; S547-L550 PolarHBondContact O-N 3.15Å; L550-T554 VanDerWaalsContact O-CB 3.3Å; L550-T554 WeakPolarHBondContact O-CB 2.99Å; L550-T554 PolarHBondContact O-N 2.72Å; L550-T554 PolarHBondContact O-OG1 3.35Å
551F38.1Very low42Very low146 Ų146103 Ų10364%0.6457%0.572SS**Hα-helixtrans-68.3-44.8177.8-161.6-97.4000111.2S547 A548 T554 L555S547-F551 WeakPolarHBondContact O-CB 3.47Å; S547-F551 PolarHBondContact O-N 3.1Å; A548-F551 PolarHBondContact O-N 2.78Å; F551-T554 PolarHBondContact O-N 3.07Å; F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.38Å; F551-L555 PolarHBondContact O-N 3.43Å
552A47.6Very low42.2Very low52 Ų52101.5 Ų101.543%0.4357%0.567SS.*Hα-helixtrans-62.8-42.9174.500000112.1A548 T554 L555 Q556A548-A552 WeakPolarHBondContact O-CB 3.39Å; A548-A552 PolarHBondContact O-N 3.49Å; A552-T554 VanDerWaalsContact C-N 3.35Å; A552-T554 PolarHBondContact O-N 3.19Å; A552-L555 PolarHBondContact O-N 3.32Å; A552-Q556 WeakPolarHBondContact O-CA 3.48Å; A552-Q556 WeakPolarHBondContact O-CB 3.43Å; A552-Q556 PolarHBondContact O-N 2.85Å
553H49Very low42.4Very low126 Ų126100.2 Ų100.258%0.58357%0.57SS**Hα-helixtrans-67.9-34176.4-169.4-79.8000111.9A549 M557A549-H553 WeakPolarHBondContact O-CB 3.33Å; A549-H553 PolarHBondContact O-N 2.88Å; H553-M557 VanDerWaalsContact O-CB 3.24Å; H553-M557 WeakPolarHBondContact O-CB 3.11Å; H553-M557 WeakPolarHBondContact O-CG 3.48Å; H553-M557 PolarHBondContact O-N 3.15Å
554T50.8Low42.3Very low86 Ų86103.2 Ų103.253%0.52857%0.571SS.*Hα-helixtrans-69.5-46.6173.9-56.30000110.8L550 F551 A552 Q556 M557 F558L550-T554 VanDerWaalsContact O-CB 3.3Å; L550-T554 WeakPolarHBondContact O-CB 2.99Å; L550-T554 PolarHBondContact O-N 2.72Å; L550-T554 PolarHBondContact O-OG1 3.35Å; F551-T554 PolarHBondContact O-N 3.07Å; A552-T554 VanDerWaalsContact C-N 3.35Å; A552-T554 PolarHBondContact O-N 3.19Å; T554-Q556 VanDerWaalsContact C-N 3.32Å; T554-Q556 PolarHBondContact O-N 2.99Å; T554-M557 PolarHBondContact O-N 3.11Å; T554-F558 WeakPolarHBondContact O-CB 3.36Å; T554-F558 PolarHBondContact O-N 3.23Å
555L51.1Low42.2Very low111 Ų111104 Ų10458%0.58158%0.579SS**Hα-helixtrans-66.3-33.7177.6-155.377.6000111.9F551 A552 F558 A559F551-L555 VanDerWaalsContact O-CB 3.31Å; F551-L555 WeakPolarHBondContact O-CB 3.38Å; F551-L555 PolarHBondContact O-N 3.43Å; A552-L555 PolarHBondContact O-N 3.32Å; L555-F558 PolarHBondContact O-N 3.01Å; L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.45Å
556Q46.1Very low42.1Very low145 Ų145105.9 Ų105.968%0.67859%0.59SS**Hα-helixtrans-80.5-27.2176.6-166.8158.617.800112.6A552 T554 A560A552-Q556 WeakPolarHBondContact O-CA 3.48Å; A552-Q556 WeakPolarHBondContact O-CB 3.43Å; A552-Q556 PolarHBondContact O-N 2.85Å; T554-Q556 VanDerWaalsContact C-N 3.32Å; T554-Q556 PolarHBondContact O-N 2.99Å; Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.35Å
557M49.4Very low41.9Very low113 Ų113103 Ų10356%0.55760%0.597SS**Hα-helixtrans-67.4-37.9163.7-78-73.1-71.100111.4H553 T554 A560 A561H553-M557 VanDerWaalsContact O-CB 3.24Å; H553-M557 WeakPolarHBondContact O-CB 3.11Å; H553-M557 WeakPolarHBondContact O-CG 3.48Å; H553-M557 PolarHBondContact O-N 3.15Å; T554-M557 PolarHBondContact O-N 3.11Å; M557-A560 PolarHBondContact O-N 2.97Å; M557-A561 WeakPolarHBondContact O-CB 3.29Å; M557-A561 PolarHBondContact O-N 3.15Å
558F42.7Very low41.7Very low159 Ų159105.7 Ų105.770%0.69762%0.616SS**Hα-helixtrans-70.8-41.9176-142.1-92.1000111.9T554 L555 A561 A562T554-F558 WeakPolarHBondContact O-CB 3.36Å; T554-F558 PolarHBondContact O-N 3.23Å; L555-F558 PolarHBondContact O-N 3.01Å; F558-A561 WeakPolarHBondContact O-CB 3.26Å; F558-A561 PolarHBondContact O-N 2.99Å; F558-A562 PolarHBondContact O-N 2.59Å
559A43.9Very low41.4Very low55 Ų55106.9 Ų106.946%0.45563%0.633SS.*Hα-helixtrans-66.3-37.2172.500000111.9L555 A561 A562 A563L555-A559 VanDerWaalsContact O-CB 3.28Å; L555-A559 WeakPolarHBondContact O-CB 3.15Å; L555-A559 PolarHBondContact O-N 3.45Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A559-A562 PolarHBondContact O-N 2.8Å; A559-A563 WeakPolarHBondContact O-CB 3.08Å; A559-A563 PolarHBondContact O-N 2.59Å
560A39.9Very low40.8Very low31 Ų31110 Ų11026%0.25665%0.647SS.*Hα-helixtrans-70.9-26.2172.400000112.8Q556 M557 R564Q556-A560 WeakPolarHBondContact O-CB 3.14Å; Q556-A560 PolarHBondContact O-N 3.35Å; M557-A560 PolarHBondContact O-N 2.97Å; A560-R564 WeakPolarHBondContact O-CB 3.4Å; A560-R564 VanDerWaalsContact O-CD 3.27Å; A560-R564 WeakPolarHBondContact O-CD 3.47Å; A560-R564 WeakPolarHBondContact O-CG 3.42Å; A560-R564 PolarHBondContact O-N 2.73Å
561A38.2Very low40.5Very low64 Ų64113.1 Ų113.153%0.52966%0.657SS.*Hα-helixtrans-71.9-46.317000000111M557 F558 A559 R564M557-A561 WeakPolarHBondContact O-CB 3.29Å; M557-A561 PolarHBondContact O-N 3.15Å; F558-A561 WeakPolarHBondContact O-CB 3.26Å; F558-A561 PolarHBondContact O-N 2.99Å; A559-A561 VanDerWaalsContact C-N 3.33Å; A561-R564 PolarHBondContact O-N 2.69Å
562A39.8Very low40.2Very low77 Ų77112.8 Ų112.864%0.63666%0.662SS**Hα-helixtrans-63.5-41.5176.200000112.7F558 A559 R564F558-A562 PolarHBondContact O-N 2.59Å; A559-A562 PolarHBondContact O-N 2.8Å; A562-R564 VanDerWaalsContact C-N 3.3Å; A562-R564 PolarHBondContact O-N 3.43Å
563A40.3Very low39.4Very low73 Ų73118.8 Ų118.860%0.60369%0.686SS**G310 helixtrans-78.4-6.2-179.900000114.4A559A559-A563 WeakPolarHBondContact O-CB 3.08Å; A559-A563 PolarHBondContact O-N 2.59Å
564R36.3Very low38.5Very low204 Ų204120.7 Ų120.777%0.7770%0.695SS**G310 helixtrans-92.41.3-179.3-88.4176.2174.4158.9-1115.4A560 A561 A562A560-R564 WeakPolarHBondContact O-CB 3.4Å; A560-R564 VanDerWaalsContact O-CD 3.27Å; A560-R564 WeakPolarHBondContact O-CD 3.47Å; A560-R564 WeakPolarHBondContact O-CG 3.42Å; A560-R564 PolarHBondContact O-N 2.73Å; A561-R564 PolarHBondContact O-N 2.69Å; A562-R564 VanDerWaalsContact C-N 3.3Å; A562-R564 PolarHBondContact O-N 3.43Å
565N36.9Very low37.6Very low154 Ų154122.4 Ų122.482%0.82471%0.705SS**G310 helixtrans-104.614.7177.4-117.1-5000114.6
566M35.9Very low36.7Very low180 Ų180122.9 Ų122.989%0.88771%0.713SS**SBendtrans-137108.9163.4-72.4-164-78.500109.7
567G31.7Very low36Very low75 Ų75119.3 Ų119.377%0.77372%0.715SS**SBendtrans144.199.7176.800000114.5
568S32.4Very low35.2Very low132 Ų132121 Ų12192%0.92373%0.731SS**  trans-19.9135.3162.752.40000118.6
569G32.6Very low34.8Very low79 Ų79116.8 Ų116.881%0.81473%0.733SS**  trans-161.791.3166.800000113.1
570T32.6Very low34.3Very low124 Ų124119.3 Ų119.376%0.76175%0.747SS**  trans-74.6145.1174.647.70000112.2
571H35.7Very low34.1Very low189 Ų189123.3 Ų123.388%0.87577%0.773SS**  trans-167.5134.7135.5-104.9-63000112.5
572D30.6Very low33.9Very low140 Ų140125 Ų12575%0.74978%0.781SS**  trans-79156.1178.6-59.1-91.1000114.3
573L30.6Very low33.6Very low178 Ų178127.5 Ų127.593%0.93279%0.794SS**  trans-12391.6150-96.6172000109.6
574H31.2Very low33.3Very low165 Ų165127.5 Ų127.576%0.76480%0.801SS**  trans-101.5121.3-176.2-179.4-86.5000111.1
575V31.5Very low33Very low122 Ų122122.9 Ų122.974%0.73980%0.8SS**  trans-123.499.5180-179.90000111.1
576T33.2Very low32.6Very low122 Ų122121.6 Ų121.675%0.74880%0.797SS**  trans25.9129.6148.4630000119.4
577G31.4Very low32.1Very low70 Ų70120.3 Ų120.372%0.72279%0.793SS**  cis-164.9-159.94.200000108.8
578V32.4Very low32.1Very low148 Ų148123.9 Ų123.990%0.89780%0.795SS**  cis-156.2131.722173.10000109.7
579G33.1Very low31.8Very low71 Ų71122.2 Ų122.273%0.73278%0.783SS**  trans70.7165166.500000116.9
580S34.5Very low31.7Very low108 Ų108124 Ų12476%0.75578%0.778SS**  cis-173.4136.6-17.343.90000110
581S34.4Very low31.6Very low115 Ų115124 Ų12480%0.80477%0.773SS**  trans59.8152.8170.4450000117.7
582S34.1Very low31.4Very low98 Ų98123.2 Ų123.269%0.68577%0.767SS**  cis-174.9137.9-20.350.80000109.8
583S34.7Very low31.5Very low130 Ų130124.1 Ų124.191%0.90977%0.767SS**  trans61161.8158.9-51.20000117.2
584G33.3Very low31.5Very low73 Ų73120.4 Ų120.475%0.75376%0.755SS**  cis-166.8145.9-4.200000112.3
585S29.5Very low31.5Very low108 Ų108119.2 Ų119.276%0.75575%0.754SS**  trans-52.215117151.60000117.2
586V28.6Very low31.5Very low126 Ų126124.1 Ų124.176%0.76476%0.759SS**  trans78124.9135166.60000120.2
587L26.5Very low31.6Very low153 Ų153123.7 Ų123.780%0.80176%0.758SS**  trans38.4119.2151-63.1171000121
588N30.4Very low31.9Very low151 Ų151125.8 Ų125.881%0.80776%0.759SS**  -161.6149.7124.7-95.8-54.7000107.6
589S27.7Very low31.7Very low96 Ų96122.4 Ų122.467%0.67175%0.754SS**  49.4120.480.6-129.30000111.5
590V29.6Very low31.5Very low118 Ų118125.3 Ų125.372%0.71576%0.757SS**  cis-144.6-16817.3-129.20000108.1
591D31.5Very low31.3Very low123 Ų123125.7 Ų125.766%0.65876%0.76SS**  cis-160.9-15913.4-132.5-34.9000112.4
592F31.5Very low31.2Very low172 Ų172124.5 Ų124.575%0.75476%0.758SS**  trans-8.4136.6157.2-66.4-111.9000116.8
593E31.5Very low30.9Very low159 Ų159129.3 Ų129.374%0.74377%0.769SS**  cis-162.2177.73-120.6-165.7111.600107.8
594C31.1Very low30.9Very low101 Ų101129.5 Ų129.568%0.68276%0.764SS**  cis-147.6-153.216.9-163.20000111.7
595L31.2Very low30.8Very low140 Ų140131.2 Ų131.273%0.73376%0.762SS**  trans-85.1153.3-169.6-72.2162.3000117.5
596R31.9Very low31.1Very low225 Ų225131.9 Ų131.985%0.84976%0.764SS**  trans79.7121.5143.7-84.1-178.2-173.3168.83.9122.7
597P34.7Very low31.3Very low112 Ų112132.9 Ų132.973%0.72777%0.771SS**  trans-88.5-168.8133.742.3-35.9000110
598P38.1Very low31.4Very low114 Ų114130 Ų13074%0.7477%0.769SS**  cis-128.5159.7-13.837.8-22.4000115.6
599G28.1Very low31.8Very low78 Ų78128.3 Ų128.380%0.80477%0.766SS**  trans71.4-163.5146.200000120.1
600V29.7Very low31.9Very low131 Ų131131.5 Ų131.579%0.79477%0.774SS**  trans81.889.1173.3-164.80000118.4
601S28.3Very low32.1Very low116 Ų116131.8 Ų131.881%0.81177%0.771SS**  trans80.4163.8134.9-560000122.9
602A32.1Very low32.5Very low91 Ų91131.7 Ų131.775%0.75278%0.777SS**  trans74.8111-169.700000113.8
603E28.1Very low32.4Very low199 Ų199129.1 Ų129.193%0.9377%0.771SS**  cis59.976.630.9-66.6-160.8135.700115.6
604V34.4Very low32.4Very low133 Ų133129.4 Ų129.481%0.80677%0.772SS**  trans-142.9135.9147.8-176.10000108.6
605P31.4Very low32.6Very low109 Ų109131.2 Ų131.271%0.70877%0.774SS**  trans-95.2-175.2-174.541.6-38.9000112.7
606P36.4Very low32.6Very low123 Ų123132.5 Ų132.580%0.79978%0.777SS**  trans-90.1140.6-16234.6-33.9000115.3
607T31.9Very low32.4Very low146 Ų146125.5 Ų125.590%0.89677%0.767SS**  trans-153.9158.6161.319.90000110.7
608A29.9Very low32.4Very low92 Ų92131.6 Ų131.676%0.7678%0.777SS**  trans-111.6-169.6168.500000109.4
609P38.6Very low32Very low116 Ų116130.7 Ų130.775%0.75378%0.779SS**  -102.4-165.5-54.239.9-29000109.5
610I29.6Very low32.4Very low164 Ų164130.7 Ų130.784%0.84178%0.779SS**  trans177.8152.3137.9-96.8156.5000111.8
611L33Very low32.6Very low123 Ų123131.5 Ų131.564%0.64478%0.779SS**  trans-78.7159.4174.4-115.971.3000112.5D613L611-D613 HydrophobicContact CB-CB 4.44Å; L611-D613 HydrophobicContact CD2-CB 4.28Å
612P41.7Very low32.9Very low121 Ų121131.1 Ų131.179%0.78678%0.776SS**  -121.7136.5111.5-1.121.3000109.6
613D29.5Very low33Very low118 Ų118132.5 Ų132.563%0.63178%0.779SS**  cis49.79028.4-89.5-14.8000113.9L611L611-D613 HydrophobicContact CB-CB 4.44Å; L611-D613 HydrophobicContact CD2-CB 4.28Å
614H31.4Very low33.5Very low165 Ų165129.3 Ų129.376%0.76477%0.773SS**  173.8150.6114-106-78.1000114.3
615L33.8Very low33.9Very low140 Ų140128.3 Ų128.373%0.73377%0.769SS**  trans69.1144.8155.5-62.6160.4000117
616Q31.6Very low34.1Very low167 Ų167129.1 Ų129.178%0.7877%0.771SS**  cis-150.8157.7-11.8-170.465.4-36.600110
617A27.8Very low34.1Very low78 Ų78130 Ų13065%0.64577%0.769SS**  trans-64.6156-178.200000115.6
618Y34.7Very low34.3Very low240 Ų240126.8 Ų126.894%0.94176%0.758SS**  trans-145.1140.5139.6-111.4-78.2000111.1
619A29.7Very low34.7Very low94 Ų94128.7 Ų128.778%0.77776%0.76SS**  trans-105154.9-178.700000112
620G35.9Very low34.6Very low78 Ų78131.3 Ų131.380%0.80476%0.762SS**  trans-160.295.1-178.800000113.5
621N33.9Very low35Very low149 Ų149128.8 Ų128.880%0.79776%0.759SS**  trans-67.3149.5-172.4-53.9-24.5000115.3
622S35.7Very low35.5Very low108 Ų108128.9 Ų128.976%0.75577%0.767SS**  167.5118.2118.4-75.50000111.7
623C33.8Very low35.3Very low119 Ų119126.6 Ų126.680%0.80477%0.766SS**  75.3136.889.8-62.10000114.4
624V38.5Very low35.9Very low133 Ų133126.9 Ų126.981%0.80677%0.774SS**  cis-155.5163.99110.50000111.9
625P42.6Very low36.1Very low112 Ų112129.8 Ų129.873%0.72778%0.778SS**  trans-122.7-132.1-16145.2-31.6000116
626V36.5Very low36.4Very low125 Ų125131.5 Ų131.576%0.75878%0.782SS**  trans92.7134.4179.8178.20000114.2
627N36.4Very low36.8Very low141 Ų141128 Ų12875%0.75477%0.774SS**  cis-150.4158-5.4-120.614.5000110.4
628A36.7Very low37Very low80 Ų80132.6 Ų132.666%0.66178%0.781SS**  69.6143.282.400000116.5
629V36.7Very low37Very low132 Ų132126.5 Ų126.580%0.877%0.774SS**  cis-140.8163.433.31750000114.3
630E36.8Very low37.1Very low171 Ų171127.4 Ų127.480%0.79977%0.77SS**  trans-77.7174.8-168.5-52.8150.1121.500116.1
631S38.4Very low36.9Very low111 Ų111131.1 Ų131.178%0.77677%0.771SS**  -171.2168.370.7-96.50000115
632P44.1Very low36.7Very low124 Ų124130.2 Ų130.281%0.80577%0.766SS**  trans-138.9167.1-141.843.5-27.4000121.3
633G37.2Very low36.4Very low74 Ų74134.1 Ų134.176%0.76377%0.77SS**  trans95.3170.2142.700000119.7
634P42.5Very low36.2Very low123 Ų123138.1 Ų138.180%0.79977%0.773SS**  cis-136.1147.2-440-22.1000118.6
635R34.9Very low35.7Very low226 Ų226136.2 Ų136.285%0.85377%0.766SS**  trans17.1142.1144.7-56.6178.3178.1-173.5-2.1123
636H40.2Very low35Very low176 Ų176138.8 Ų138.882%0.81577%0.77SS**  -169.4165.3107.3-105.7-76.2000111.2
637P39.2Very low34.5Very low94 Ų94137.6 Ų137.661%0.6177%0.766SS**  -138.9167-113.844-26.3000120.9
638H33.7Very low34.1Very low174 Ų174135.9 Ų135.981%0.80677%0.765SS**  trans38.3129143.1-63.7-59000123.9
639S34.4Very low33.6Very low112 Ų112138.2 Ų138.278%0.78377%0.772SS**  154.9146.5117.259.70000111.4
640T31.3Very low33.5Very low114 Ų114138 Ų13870%0.69977%0.77SS**  cis168.3128-36.326.10000106.8
641L30.6Very low33.2Very low155 Ų155135.6 Ų135.681%0.81277%0.77SS**  trans65.3163.8156.9-57.2169.4000116.6
642D31.3Very low32.7Very low130 Ų130134.3 Ų134.370%0.69577%0.765SS**  cis-151.5-171.23-139.6-43.9000113.4
643F28.5Very low32.3Very low191 Ų191134.1 Ų134.184%0.83876%0.764SS**  trans-70.9164.3-176.2-93.5-105.7000118.2
644K29.7Very low32.1Very low202 Ų202139.7 Ų139.788%0.87877%0.768SS**  trans102.8155.6159.9-66.2-179.7178.41740117.1
645S28.9Very low31.8Very low93 Ų93139.3 Ų139.365%0.6577%0.765SS**  cis-178.8117.6-27.9173.50000110.5
646M27.1Very low31.8Very low167 Ų167133.3 Ų133.382%0.82376%0.756SS**  trans60.5150.9153-62.3-158.88000123.1
647C25.9Very low31.2Very low99 Ų99132 Ų13267%0.66975%0.753SS**  trans71.9114.2149.9-73.30000121.8
648S27.2Very low30.7Very low105 Ų105132.5 Ų132.573%0.73476%0.759SS**  45.8131.5117-45.30000118.9
649T27.1Very low30.6Very low130 Ų130129.5 Ų129.580%0.79876%0.757SS**  -165.1161.767.2-62.90000112.4
650V34.5Very low30.3Very low126 Ų126129.1 Ų129.176%0.76476%0.755SS**  trans-60151.8172.8-1770000112.2
651P30.3Very low30.4Very low122 Ų122130.1 Ų130.179%0.79275%0.754SS**  trans-129.4136.113336.1-28.5000113.5
652A28.8Very low30.4Very low83 Ų83129.7 Ų129.769%0.68675%0.748SS**  trans-94.3-178.6153.900000108
653P34.3Very low30.4Very low120 Ų120127.4 Ų127.478%0.77974%0.742SS**  cis-128.6-158.6-5.634-11.9000112.5
654F33.2Very low30.6Very low192 Ų192124.8 Ų124.884%0.84273%0.732SS**  trans-49.1166.4156.1-69.7-85.4000112.6
655P36.3Very low30.7Very low115 Ų115121.6 Ų121.675%0.74773%0.725SS**  cis-133.4-130.221.730-2.1000114.1
656P35.3Very low30.8Very low100 Ų100125.1 Ų125.165%0.64974%0.735SS**  -135.7-161.2-99.245.7-28.6000115.8
657I27.4Very low31Very low147 Ų147125.8 Ų125.875%0.75473%0.733SS**  trans81.9104.9152.7-74.5171.1000118.2
658S29.6Very low31.7Very low105 Ų105126.3 Ų126.373%0.73474%0.735SS**  47.3130.7124-43.70000122
659S30.1Very low32Very low111 Ų111128.8 Ų128.878%0.77674%0.735SS**  -167.815294.854.40000108.3
660S29.8Very low32.4Very low104 Ų104127.7 Ų127.773%0.72773%0.728SS**  cis-153.6168.927-63.20000107.7
661I31.7Very low32.4Very low135 Ų135127.6 Ų127.669%0.69272%0.724SS**  cis-166.9152.5-0.5-119.8169.6000103.9
662H31.3Very low32.7Very low147 Ų147127.4 Ų127.468%0.68172%0.72SS**  cis-156.2179.85.7-107.5-38.6000104.9
663S31.6Very low32.8Very low81 Ų81129.7 Ų129.757%0.56672%0.72SS**  cis-172.7162.9-3.3-104.50000107.5
664Q32.2Very low32.6Very low137 Ų137128.7 Ų128.764%0.6471%0.711SS**  cis-168.1135-17.6-115.8169.6-42.300109.3
665N32Very low32.4Very low135 Ų135127 Ų12772%0.72271%0.706SS**  trans70.6164.2152-43.9-20.3000116.9
666I31.6Very low32.2Very low166 Ų166127.4 Ų127.485%0.85170%0.698SS**  cis-129.9153.613.9-65.1169.5000111.9
667F31.5Very low31.9Very low182 Ų182129.9 Ų129.980%0.79870%0.699SS**  trans-98.7170.5-177.6-110.2-86.7000111.9
668P39.2Very low32Very low109 Ų109127.9 Ų127.971%0.70869%0.686SS**  -150.7141.18039-17.8000116.6
669Q34Very low32.1Very low158 Ų158131.8 Ų131.874%0.73869%0.685SS**  75.7149.791.1-61.3-171.1-81.100116.6
670T35.9Very low32.1Very low106 Ų106129.5 Ų129.565%0.6567%0.673SS**  cis-155.4-149.9-18.232.20000107
671D35Very low32.2Very low125 Ų125126.5 Ų126.567%0.66866%0.658SS**  cis-166.2176.65.5-135.9-49.2000113.9
672V35Very low32.3Very low117 Ų117126.9 Ų126.971%0.70966%0.661SS**  trans71.9138147.7155.60000121.6
673I32.2Very low32.3Very low132 Ų132123 Ų12368%0.67766%0.66SS**  cis-167.6155.6-28-135.7179.8000113.7
674T30.1Very low32.4Very low98 Ų98128.2 Ų128.260%0.60167%0.669SS**  trans66.8132.5151.452.70000127.3
675Q29.3Very low32.5Very low156 Ų156127.1 Ų127.173%0.72967%0.672SS**  73.9151.7128.9-67-178-69.500121.4
676E31Very low32.5Very low125 Ų125123.8 Ų123.858%0.58467%0.67SS**  cis-152.9151.5-7.7-125.3-163.2-147.500114.6
677F29.8Very low32.7Very low151 Ų151123 Ų12366%0.66267%0.666SS**  trans42155.1132.5-80.8-145.1000122.3
678Q29.8Very low32.7Very low106 Ų106119.2 Ų119.250%0.49566%0.662SS.*  cis-173163.9-15.7-120.2-171.919.600110.7
679R30.9Very low32.7Very low186 Ų186119.2 Ų119.270%0.70266%0.662SS**  trans67.9161.3153.6-73.3172.6172.7127.2-8.3120.6N297N297-R679 PolarHBondContact ND2-O 2.78Å
680A30.7Very low32.6Very low64 Ų64118.3 Ų118.353%0.52966%0.662SS.*  cis-176.3135-38.100000115.3D296D296-A680 PolarHBondContact OD2-N 3.38Å
681G31.9Very low32.4Very low41 Ų41119.9 Ų119.942%0.42367%0.667SS.*  trans91.8172.9146.400000117.7
682L32.4Very low32.2Very low142 Ų142118.2 Ų118.274%0.74367%0.665SS**  cis-162.4130.4-6.1-119.9177.5000113.6Y684L682-Y684 HydrophobicContact CD2-CE2 4.21Å
683G32.7Very low31.9Very low65 Ų65121.7 Ų121.767%0.6768%0.676SS**  trans73.3-178.7150.200000118.8
684Y33.9Very low32Very low192 Ų192118.5 Ų118.575%0.75368%0.675SS**  cis-168.11470.5-92.4-55.6000108.1L682L682-Y684 HydrophobicContact CD2-CE2 4.21Å
685T33.5Very low32Very low113 Ų113120 Ų12069%0.69368%0.679SS**  cis-159.2155.2-11.2-320000109L687T685-L687 HydrophobicContact CG2-CD1 4.21Å; T685-L687 HydrophobicContact CG2-CG 4.17Å
686G33Very low32Very low66 Ų66121.7 Ų121.768%0.6868%0.679SS**  trans153.776.1168.600000114.3
687L34.2Very low31.9Very low148 Ų148122.4 Ų122.478%0.77569%0.686SS**  62.6131.675.9-54.2174.2000113.5T685T685-L687 HydrophobicContact CG2-CD1 4.21Å; T685-L687 HydrophobicContact CG2-CG 4.17Å
688S31.6Very low32Very low103 Ų103121.2 Ų121.272%0.7269%0.686SS**  cis-163.3170.3-5.9-107.50000111.2
689P40.7Very low32Very low109 Ų109121.2 Ų121.271%0.70868%0.681SS**  trans-126.3-141.9-154.435.4-14000113.7
690L30.4Very low32.2Very low139 Ų139116.9 Ų116.973%0.72868%0.677SS**  trans77.7101.9160.4-70.3157.5000119.5
691N32.3Very low32.3Very low140 Ų140115.9 Ų115.975%0.74967%0.667SS**  165.8142.798.1-84-46.3000110.1
692S30.1Very low32.2Very low90 Ų90120 Ų12063%0.62968%0.679SS**  cis100.1136.128.6-168.30000113
693M30Very low32.1Very low190 Ų190118.6 Ų118.694%0.93668%0.676SS**  trans66.2147.9-177.1-46.4-174.7-170.200115.1
694G33.1Very low31.9Very low64 Ų64125.4 Ų125.466%0.6669%0.688SS**  cis-150.1142.7-9.900000108.7
695D30.8Very low31.6Very low129 Ų129120.1 Ų120.169%0.6968%0.684SS**  84146.675.5-172.432.2000112.4
696R29.5Very low31.8Very low193 Ų193121.5 Ų121.573%0.72868%0.676SS**  trans86111.4167.7-48.1-157.9174.3-141.2-14.7118.2
697L29.3Very low31.8Very low139 Ų139123.6 Ų123.673%0.72868%0.678SS**  89.2136.991.2-69.2-171.4000111.5
698L31.2Very low31.7Very low126 Ų126121.5 Ų121.566%0.6667%0.672SS**  cis-156.8137.112.6-116.3159.1000114.2
699R29.3Very low31.7Very low106 Ų106120.3 Ų120.340%0.466%0.661SS.*  trans56.3126.8146.7-104.5175.3-179.7-169.15.6123.1K1511 N1512 D1514R699-K1511 WeakPolarHBondContact O-CE 3.5Å; R699-K1511 PolarHBondContact O-NZ 3.42Å; R699-N1512 VanDerWaalsContact CD-OD1 3.28Å; R699-N1512 WeakPolarHBondContact CD-OD1 3.48Å; R699-N1512 WeakPolarHBondContact CG-OD1 3.45Å; R699-N1512 PolarHBondContact NE-OD1 2.77Å; R699-D1514 IonicContact CZ-OD1 3.7Å; R699-D1514 IonicContact CZ-OD2 3.22Å; R699-D1514 IonicContact NH1-OD1 3.89Å; R699-D1514 IonicContact NH1-OD2 2.71Å; R699-D1514 PolarHBondContact NH1-OD2 3.38Å; R699-D1514 IonicContact NH2-OD1 2.71Å; R699-D1514 PolarHBondContact NH2-OD1 3.14Å; R699-D1514 IonicContact NH2-OD2 2.83Å; R699-D1514 PolarHBondContact NH2-OD2 2.78Å
700P35.5Very low31.5Very low96 Ų96121.3 Ų121.362%0.62367%0.668SS**  trans-88.7-179.7173.740.3-38000113K1511 N1512P700-K1511 WeakPolarHBondContact O-CG 3.45Å; P700-N1512 PolarHBondContact O-ND2 2.87Å
701S32.7Very low31.5Very low43 Ų43122.2 Ų122.230%0.30167%0.673SS.*  trans170157.7134.8-75.50000111.2
702N30.4Very low31.4Very low127 Ų127121.1 Ų121.168%0.67968%0.676SS**  trans-4.1146.6154.1-45.1-5.4000118N1510N702-N1510 WeakPolarHBondContact O-CA 3.34Å; N702-N1510 PolarHBondContact O-N 2.78Å; N702-N1510 VanDerWaalsContact O-N 3.14Å
703T29.1Very low31.3Very low113 Ų113121.1 Ų121.169%0.69368%0.676SS**  cis-153170.931.9-42.10000112
704F29.2Very low31.2Very low207 Ų207119 Ų11991%0.90867%0.668SS**  trans-30.5136.2174.2-80.7-104.2000118.2
705A27Very low31Very low82 Ų82127 Ų12768%0.67868%0.679SS**  trans-154.6156.1145.500000110.4
706R38.6Very low30.9Very low141 Ų141129.2 Ų129.253%0.53269%0.687SS.*  trans-144.9112.8-172.7-165.7-165.1163.2-151.5-6.2108.5G394 G395 C396 S397G394-R706 PolarHBondContact O-NH1 2.85Å; G395-R706 CarbonylContact C-O 3.58Å; C396-R706 VanDerWaalsContact CA-CZ 3.49Å; C396-R706 VanDerWaalsContact CA-NE 3.33Å; C396-R706 PolarHBondContact N-O 3.05Å; C396-R706 CarbonylContact O-C 3.6Å; C396-R706 WeakPolarHBondContact O-CG 3.36Å; S397-R706 PolarHBondContact OG-NH2 2.9Å
707P33.3Very low31.2Very low110 Ų110124.9 Ų124.971%0.71468%0.684SS**PPolyproline II helixtrans-92117.5-167.534.2-34.3000117.1C396C396-P707 CarbonylContact C-O 3.34Å; C396-P707 CarbonylContact O-C 3.56Å; C396-P707 WeakPolarHBondContact O-CA 3.06Å; C396-P707 WeakPolarHBondContact O-CD 3.31Å
708T31.8Very low31Very low105 Ų105128.4 Ų128.464%0.64469%0.689SS**PPolyproline II helixtrans-60.9158.6-172.537.80000119.2C396C396-T708 HydrophobicContact CB-CG2 4.22Å
709P32Very low30.9Very low77 Ų77129.1 Ų129.150%0.569%0.692SS.*PPolyproline II helixtrans-82.4150.8174.536.2-36.3000112.5
710P36.5Very low31.1Very low130 Ų130129.9 Ų129.984%0.84471%0.711SS**PPolyproline II helixtrans-89.9142.8169.434.3-31.9000112.6
711L30Very low30.8Very low159 Ų159131.3 Ų131.383%0.83272%0.717SS**  trans-125.1142.8178.3-96.8169.4000111.4
712S30.2Very low30.5Very low117 Ų117133.7 Ų133.782%0.81873%0.734SS**  trans65.1159.5170.880.10000115.6
713S28.4Very low30.7Very low90 Ų90135 Ų13563%0.62975%0.746SS**  cis-159.814719.5-163.50000114
714N27.3Very low30.7Very low145 Ų145135.1 Ų135.178%0.77575%0.747SS**  trans63.2134.8150.2-74.9-27.2000124.6
715R29.4Very low30.8Very low232 Ų232132.7 Ų132.788%0.87574%0.743SS**  trans72.9108.9152-73.1-177.7169.9-173.1-3.1121.4
716M28.8Very low30.9Very low176 Ų176132.7 Ų132.787%0.86774%0.738SS**  33.4151.2120.2-74.8-178.577.500122
717P35.5Very low30.5Very low102 Ų102134.1 Ų134.166%0.66275%0.751SS**  cis-135.1-167.4-3.641.1-22.2000114.5
718Y25.2Very low30.4Very low213 Ų213134.1 Ų134.184%0.83575%0.754SS**  trans11.2122.5147.9-92.5-96.1000119.6
719I29Very low31.1Very low141 Ų141134.9 Ų134.972%0.72376%0.76SS**  170.9139.5118-90.8156.9000110.6V721I719-V721 HydrophobicContact CG2-CG2 3.57Å
720P33.3Very low31.5Very low121 Ų121136.4 Ų136.479%0.78677%0.771SS**  trans-90.2134.9167.734.6-30.6000111.7
721V28.3Very low31.4Very low127 Ų127141.1 Ų141.177%0.7777%0.771SS**  trans-142.9130.7168.2-147.60000112.1I719I719-V721 HydrophobicContact CG2-CG2 3.57Å
722S28.4Very low31.7Very low92 Ų92139.7 Ų139.764%0.64377%0.77SS**  trans-76.6147163.150.60000111.2
723V33.1Very low32.1Very low155 Ų155139.2 Ų139.294%0.93976%0.764SS**  trans-76133.3166.3-176.10000109.5
724T29.3Very low32.4Very low116 Ų116140.7 Ų140.771%0.71277%0.769SS**  trans-118.4139.9-171.153.70000112.3
725D32.2Very low32.6Very low155 Ų155139.5 Ų139.583%0.82977%0.767SS**  trans-157.9139.6164.8-147.9-11.5000109.9
726S28.7Very low32.8Very low82 Ų82135.5 Ų135.557%0.57376%0.762SS**  -148.6170.8-53.553.10000110.4
727Q30.2Very low32.9Very low172 Ų172134.6 Ų134.680%0.80476%0.759SS**  trans80.9120.4162.4-55.7178.25800121.3
728S31.8Very low32.8Very low110 Ų110133.2 Ų133.277%0.76976%0.762SS**  trans66.5126.3143.559.30000123.1
729P45.3Very low33.9Very low120 Ų120128.2 Ų128.278%0.77976%0.756SS**  trans-95.3168160.839.1-33.9000112.4
730P39.9Very low34.1Very low110 Ų110132.6 Ų132.671%0.71476%0.764SS**  -154.7150108.837-18.5000119
731R34.3Very low34.2Very low229 Ų229134.2 Ų134.286%0.86476%0.764SS**  trans63.4104.7136.9-65.9171.9-175.3-107.3-0.3122.3
732T37.9Very low34.4Very low129 Ų129132.4 Ų132.479%0.79176%0.757SS**  -15155.9121.434.40000117.6
733P38.1Very low34.7Very low107 Ų107136 Ų13670%0.69577%0.765SS**  -159.817163.243.9-22.2000122.2
734T34.6Very low35Very low120 Ų120133.8 Ų133.874%0.73676%0.755SS**  trans63120151.843.10000119.5
735T31.6Very low35.6Very low120 Ų120133.9 Ų133.974%0.73676%0.757SS**  80.712252.1-56.20000113.5
736I33.1Very low35.9Very low149 Ų149133.2 Ų133.276%0.76476%0.758SS**  -179.7114.8125.6-92.4165.8000111.9
737I32Very low36.4Very low157 Ų157134.6 Ų134.681%0.80577%0.766SS**  trans26.6133135-46.9165.6000119.8
738G33Very low36.9Very low72 Ų72132 Ų13274%0.74276%0.764SS**  trans166.2112.6145.600000116.6
739P47Very low37Very low109 Ų109138 Ų13871%0.70877%0.769SS**  trans-129.5162.9-162.142.7-30.2000118.1
740R33.3Very low36.7Very low233 Ų233137.2 Ų137.288%0.87976%0.764SS**  trans66142.2162.8-66.4175.6173.4-179.3-2.6115.5
741I36.3Very low36.2Very low155 Ų155140.1 Ų140.180%0.79577%0.768SS**  -160.9122.577.7-87.2164.2000111.6
742S32Very low36Very low88 Ų88135.6 Ų135.662%0.61576%0.76SS**  trans38153.2131.1-41.40000125.4
743M35.6Very low35.6Very low167 Ų167133.6 Ų133.682%0.82376%0.757SS**  trans103.3142.1153.5-63.5-61.2123.300118.1
744P38.4Very low35.4Very low110 Ų110134.2 Ų134.271%0.71476%0.759SS**  trans-137.2-141.4-130.447.8-26000113.2
745P41.2Very low35.2Very low118 Ų118133.5 Ų133.577%0.76676%0.758SS**  trans-112.2152.6-137.432.8-12.1000116.5
746V39.6Very low35.5Very low140 Ų140133.4 Ų133.485%0.84876%0.758SS**  trans-143.5131173.6-175.10000112
747P40Very low35.3Very low112 Ų112133.5 Ų133.573%0.72776%0.757SS**  trans-109.7-172.2171.241.9-34.2000112
748P40.7Very low35.5Very low118 Ų118136.4 Ų136.477%0.76676%0.759SS**  cis-127.7-153-36.435.9-16.4000111.9
749R32.2Very low35.5Very low235 Ų235137.7 Ų137.789%0.88775%0.753SS**  trans87166.8160.2-102.3-160169.8-164.4-0.9117.5
750P39.1Very low34.8Very low104 Ų104138 Ų13868%0.67576%0.757SS**  trans-132.9-152.5-130.441.9-19.9000114.6
751Q30.8Very low34.9Very low170 Ų170134.9 Ų134.979%0.79475%0.752SS**  trans82.5155.8177.4-56.9-168.1-10.600114.7
752I29.5Very low35Very low134 Ų134132.8 Ų132.869%0.68774%0.742SS**  cis-160.6143.3-15.2-110.8168.3000109
753A29.8Very low35.3Very low88 Ų88136 Ų13673%0.72775%0.752SS**  trans46.2-173.9156.400000119.4
754T32.8Very low35.3Very low120 Ų120131.5 Ų131.574%0.73675%0.749SS**  cis-159.4148.39.6-19.90000112.2
755S31.3Very low35.5Very low104 Ų104131.8 Ų131.873%0.72775%0.751SS**  trans58.1166.3152.7-53.30000119.2
756T37.9Very low35.3Very low118 Ų118133.8 Ų133.872%0.72475%0.754SS**  cis-153.3124.618.4-41.30000107.9
757M28.1Very low35.5Very low151 Ų151131.8 Ų131.874%0.74474%0.744SS**  67.8111.871-88.7-74.1-74.800117.3
758Y36.5Very low35.2Very low218 Ų218135.8 Ų135.886%0.85575%0.75SS**  trans177.7111.5150.9-79.9-59.2000106.9
759T34.1Very low34.7Very low100 Ų100135 Ų13561%0.61375%0.748SS**  64134.268.165.90000115.3
760C30.7Very low34.8Very low116 Ų116129.9 Ų129.978%0.78475%0.748SS**  cis-161.7-159.5-6-97.30000107.8
761Q36.5Very low34.3Very low167 Ų167133.7 Ų133.778%0.7876%0.759SS**  cis-166.2-178.711-147.2177.4-18.700111.7
762N37.7Very low34.4Very low110 Ų110133.9 Ų133.959%0.58876%0.76SS**  trans79101.5152.4-69.5-3.5000124.2
763N37.8Very low34.6Very low156 Ų156133.4 Ų133.483%0.83476%0.763SS**  78.7132126.5-53.5-12.1000122.3
764G36.7Very low34.8Very low73 Ų73135.2 Ų135.275%0.75377%0.768SS**  trans-121.6-134177.200000112.8
765P43.4Very low34.6Very low116 Ų116140.3 Ų140.375%0.75377%0.773SS**  cis-148.3-176.45.445.4-25.9000118.3
766L37Very low34.7Very low159 Ų159145.2 Ų145.283%0.83278%0.782SS**  trans75.3162160.4-56.7-177000119
767P42.8Very low34.5Very low98 Ų98145.4 Ų145.464%0.63679%0.785SS**  -141.6163.6-70.640.1-22.5000115.9
768F33Very low34.6Very low196 Ų196143.7 Ų143.786%0.8679%0.788SS**  175.5156.6124.7-111.6-82.8000113.7
769S31Very low34.2Very low101 Ų101145.4 Ų145.471%0.70679%0.793SS**  trans60.978.5156.7-60.30000121.2
770S34.1Very low34.1Very low128 Ų128144 Ų14490%0.89580%0.798SS**  trans-166.8142.6135.3-85.20000111
771M30Very low34.6Very low185 Ų185143.8 Ų143.891%0.91180%0.795SS**  trans-114129-174.6-93-71.1177.500112.6
772H30.9Very low34.4Very low174 Ų174142.3 Ų142.381%0.80680%0.798SS**  trans-155.8101.3174.5-119.257.1000114.8
773T35.7Very low34Very low123 Ų123142.3 Ų142.376%0.75581%0.806SS**  trans66.7160.4160.177.40000117.3
774P33Very low33.5Very low127 Ų127144.1 Ų144.183%0.82581%0.807SS**  -142.1171.584.638.3-21.6000116.8
775R29.3Very low33.5Very low227 Ų227146.4 Ų146.486%0.85781%0.808SS**  trans-58158.4-178.2-55.2159.7173.6162.5-3.9115.8
776F31.7Very low32.8Very low207 Ų207148.1 Ų148.191%0.90881%0.806SS**  -161.6174.6124.3-98.3-52.1000110.8
777P35Very low32.6Very low122 Ų122149.2 Ų149.279%0.79281%0.812SS**  -106.5174.1-12742-38.2000118.5
778S29.4Very low31.9Very low115 Ų115149.8 Ų149.880%0.80481%0.81SS**  trans-86.6147.3-168.2-18.10000117
779R28.7Very low31.6Very low254 Ų254147.1 Ų147.196%0.95880%0.804SS**  -177.5141.5126.4-103173.6176.5-165.2-2.3112.2
780G32.6Very low31.4Very low69 Ų69148.1 Ų148.171%0.71181%0.806SS**  trans-106.4-142.6167.200000111
781P40.9Very low31.2Very low112 Ų112149.7 Ų149.773%0.72780%0.803SS**  cis-142.1-171.5-5.844.3-26.6000115
782T31.8Very low31.5Very low137 Ų137149 Ų14984%0.8480%0.8SS**  trans64.6165.1160.560.30000117.8
783S29.6Very low31.6Very low109 Ų109146 Ų14676%0.76280%0.796SS**  cis-146.4155.86.353.80000113
784F27.9Very low31.5Very low194 Ų194145.4 Ų145.485%0.85179%0.794SS**PPolyproline II helixtrans-69.4159.2162.9-70.8-111.5000112
785P35.1Very low31.6Very low121 Ų121144.9 Ų144.979%0.78679%0.791SS**PPolyproline II helixtrans-82.4134.3145.533.6-28.1000110.3
786Q29.5Very low31.9Very low152 Ų152141 Ų14171%0.7179%0.786SS**PPolyproline II helixtrans-77.7144.6163.4-71-174.2-8500110.2
787L33.2Very low32Very low182 Ų182135.5 Ų135.595%0.95377%0.771SS**  trans-110.9148.2138.2-72.3177000108
788N27.1Very low32Very low110 Ų110135.7 Ų135.759%0.58877%0.773SS**  trans-141.1133.5-148-164.630.1000111.4
789L27.8Very low32.3Very low140 Ų140139.2 Ų139.273%0.73377%0.77SS**  trans53.7122.2165.7-62162.1000116.7
790T27Very low32.5Very low122 Ų122131.9 Ų131.975%0.74876%0.755SS**  -168.9148.186.318.80000113.4
791L28.2Very low32.5Very low161 Ų161137.1 Ų137.184%0.84376%0.76SS**  trans44.595.3161.8-76.774.2000118.2
792M36.3Very low31.9Very low172 Ų172139 Ų13985%0.84776%0.759SS**PPolyproline II helixtrans-84.5150.7138.4-70.2-163.67800109.4
793P33.2Very low31.7Very low109 Ų109140.3 Ų140.371%0.70876%0.759SS**PPolyproline II helixtrans-64.4152.5172.728.6-35.1000111.1
794P33.3Very low31.6Very low111 Ų111143.2 Ų143.272%0.72176%0.76SS**PPolyproline II helixtrans-63.1148.3173.728.8-34.9000110.4L796P794-L796 PolarHBondContact O-N 2.73Å
795P35.1Very low31.6Very low116 Ų116141.6 Ų141.675%0.75376%0.755SS**PPolyproline II helixtrans-60.9128.2172.826.9-33.6000109.3
796L37.2Very low31.4Very low147 Ų147141.2 Ų141.277%0.7775%0.753SS**PPolyproline II helixtrans-58.6133.4170-70.7172.9000108.6P794P794-L796 PolarHBondContact O-N 2.73Å
797P32.5Very low31.4Very low91 Ų91138.7 Ų138.759%0.59175%0.75SS**PPolyproline II helixtrans-63.2150.7176.128.5-34.8000109.7Y799P797-Y799 PolarHBondContact O-N 3.07Å
798P36.6Very low31.4Very low126 Ų126135.4 Ų135.482%0.81874%0.739SS**  trans-60.5113167.726.9-32.6000107.9
799Y34.7Very low31.9Very low189 Ų189136.8 Ų136.874%0.74175%0.752SS**  trans-58.8126.6177.1-90.9-98.7000108.9P797 H801P797-Y799 PolarHBondContact O-N 3.07Å; Y799-H801 PolarHBondContact O-N 3.29Å
800P32.2Very low32.1Very low99 Ų99137 Ų13764%0.64375%0.753SS**  trans-61.8133.1173.826.7-33.2000108.8H802P800-H802 VanDerWaalsContact C-N 3.32Å; P800-H802 PolarHBondContact O-N 2.94Å
801H32.8Very low32.5Very low179 Ų179136 Ų13683%0.82975%0.748SS**  trans-6785-175-72.8-71.9000112.2Y799Y799-H801 PolarHBondContact O-N 3.29Å
802H28.4Very low32.8Very low153 Ų153133.1 Ų133.171%0.70874%0.739SS**  trans-77.7134.3155.8-75.4-67.4000109.4P800 H804P800-H802 VanDerWaalsContact C-N 3.32Å; P800-H802 PolarHBondContact O-N 2.94Å; H802-H804 VanDerWaalsContact C-N 3.26Å; H802-H804 PolarHBondContact O-N 3.18Å
803I28.5Very low32.5Very low163 Ų163130.5 Ų130.584%0.83674%0.735SS**  trans-74.681.6-178.1-55.1171.1000108.4Q805I803-Q805 VanDerWaalsContact C-N 3.31Å; I803-Q805 PolarHBondContact O-N 3.29Å
804H27.8Very low32.5Very low171 Ų171128.7 Ų128.779%0.79274%0.736SS**  trans-74.190.6167.5-84.8-59.7000109.6H802H802-H804 VanDerWaalsContact C-N 3.26Å; H802-H804 PolarHBondContact O-N 3.18Å
805Q28Very low32.7Very low159 Ų159132.7 Ų132.774%0.74374%0.742SS**PPolyproline II helixtrans-47.4141138.1-67.8178-25.700108I803I803-Q805 VanDerWaalsContact C-N 3.31Å; I803-Q805 PolarHBondContact O-N 3.29Å
806P29.3Very low32.6Very low113 Ų113135 Ų13573%0.73475%0.747SS**PPolyproline II helixtrans-56.2137.216726.1-33.3000108.1
807P31Very low32.4Very low99 Ų99133.6 Ų133.664%0.64375%0.748SS**PPolyproline II helixtrans-57.3147.7175.825.8-34000109.3V809P807-V809 PolarHBondContact O-N 3.43Å
808P33.3Very low32.3Very low114 Ų114134.4 Ų134.474%0.7476%0.755SS**PPolyproline II helixtrans-54.7128.2174.824.6-33.8000108.5L810P808-L810 PolarHBondContact O-N 2.94Å
809V36.1Very low31.9Very low139 Ų139133.1 Ų133.184%0.84276%0.755SS**  trans-66.595.7-172.1-179.30000109.3P807P807-V809 PolarHBondContact O-N 3.43Å
810L32.4Very low31.9Very low144 Ų144129.5 Ų129.575%0.75475%0.745SS**PPolyproline II helixtrans-68.9138.9171.1-68.2171.9000108.8P808P808-L810 PolarHBondContact O-N 2.94Å
811P36.4Very low31.7Very low101 Ų101130.6 Ų130.666%0.65676%0.755SS**PPolyproline II helixtrans-62.7148.9174.927.4-34.4000110.5
812P34Very low31.5Very low101 Ų101130 Ų13066%0.65675%0.746SS**PPolyproline II helixtrans-62.6142.8-174.825.1-34.6000111.9G814P812-G814 PolarHBondContact O-N 3.48Å
813P29.5Very low31.6Very low117 Ų117133.7 Ų133.776%0.7675%0.754SS**THydrogen-bonded Turntrans-65.2102.3-179.826.5-33.9000110.6
814G34.3Very low31.8Very low71 Ų71130.9 Ų130.973%0.73275%0.747SS**THydrogen-bonded Turntrans174.6-28.1-175.300000113.4P812P812-G814 PolarHBondContact O-N 3.48Å
815F36.2Very low32.1Very low194 Ų194128.3 Ų128.385%0.85175%0.745SS**  trans-10294.1169.4-80.3-98.6000110.8
816L33.9Very low32.3Very low164 Ų164124.4 Ų124.486%0.85975%0.748SS**  trans-119118.9163.4-76.7176.4000109.1
817P31.5Very low32.3Very low119 Ų119125.8 Ų125.877%0.77375%0.754SS**  trans-71.3138.816930.2-32.9000110A819P817-A819 PolarHBondContact O-N 3.35Å; P817-A819 VanDerWaalsContact O-N 3.16Å
818S31.1Very low32.5Very low107 Ų107126.7 Ų126.775%0.74876%0.763SS**  trans-64.7113.8175.9-71.10000111.3H820S818-H820 PolarHBondContact O-N 3.24Å
819A29.3Very low32.4Very low100 Ų100126.9 Ų126.983%0.82677%0.767SS**  trans-72.486.4171.300000110.7P817 S821P817-A819 PolarHBondContact O-N 3.35Å; P817-A819 VanDerWaalsContact O-N 3.16Å; A819-S821 PolarHBondContact O-N 2.92Å
820H33.5Very low32.4Very low112 Ų112125.4 Ų125.452%0.51976%0.763SS.*  trans-78.5108.1171.4-91.6-57.9000110.9Y443 G444 S818 Y822Y443-H820 PolarHBondContact O-CD2 3.41Å; G444-H820 PolarHBondContact N-NE2 3.22Å; S818-H820 PolarHBondContact O-N 3.24Å; H820-Y822 PolarHBondContact O-N 2.83Å; H820-Y822 VanDerWaalsContact O-N 3.14Å
821S28.4Very low32.6Very low122 Ų122124 Ų12485%0.85377%0.766SS**  trans-65.2106.5178-55.60000112.6A819A819-S821 PolarHBondContact O-N 2.92Å
822Y28.5Very low32.5Very low166 Ų166122.8 Ų122.865%0.65177%0.771SS**PPolyproline II helixtrans-100.2120.8161.5-98.7-88.8000111.4V441 H820V441-Y822 HydrophobicContact CG1-CE2 4.13Å; H820-Y822 PolarHBondContact O-N 2.83Å; H820-Y822 VanDerWaalsContact O-N 3.14Å
823R30.2Very low32.8Very low231 Ų231124 Ų12487%0.87278%0.778SS**PPolyproline II helixtrans-76.1121.1179.9177-169.6-172.6-161.55.3109.7
824P33.5Very low33Very low104 Ų104125.5 Ų125.568%0.67578%0.78SS**PPolyproline II helixtrans-66.4132172.327.2-32.9000110.1
825P34.1Very low32.9Very low117 Ų117128 Ų12876%0.7678%0.776SS**PPolyproline II helixtrans-69.4129.6169.2-15.630.4000110T827P825-T827 PolarHBondContact O-N 3.22Å
826G31.4Very low32.7Very low78 Ų78125.3 Ų125.380%0.80477%0.771SS**PPolyproline II helixtrans-74.9121.4175.500000111.5S828G826-S828 PolarHBondContact O-N 3.4Å
827T30.1Very low32.8Very low141 Ų141123.4 Ų123.487%0.86577%0.766SS**  trans-9288.6173.751.10000110.9P825P825-T827 PolarHBondContact O-N 3.22Å
828S34.8Very low32.8Very low118 Ų118123.2 Ų123.283%0.82577%0.767SS**  trans-73.5125.4162.254.50000109.9G826G826-S828 PolarHBondContact O-N 3.4Å
829S31.4Very low33.2Very low119 Ų119124 Ų12483%0.83277%0.77SS**  trans-75.9126.7-176.755.10000113.9
830S35.7Very low33.3Very low107 Ų107125.4 Ų125.475%0.74877%0.774SS**  trans-158.5114.2145.962.60000113
831S37.2Very low33.1Very low116 Ų116122.9 Ų122.981%0.81178%0.778SS**  trans33124.6141.860.90000121.7
832G33.1Very low33.3Very low74 Ų74125 Ų12576%0.76378%0.78SS**  100.3121.7126.100000117.2
833P40.6Very low33.5Very low126 Ų126126.5 Ų126.582%0.81879%0.79SS**  trans-97.2170.9-179.739.1-35.8000113.2
834L33.6Very low33.9Very low150 Ų150120.8 Ų120.879%0.78578%0.782SS**  trans-169.5124134.3-105166.6000113.3
835N33.3Very low33.6Very low124 Ų124121 Ų12166%0.66378%0.781SS**  trans44.7135.5145.7-67.8-0.2000124.2
836N30.8Very low33.4Very low137 Ų137124.2 Ų124.273%0.73379%0.786SS**  39.2137.3125.8-44.3-17.9000119.2
837T36.6Very low33.5Very low124 Ų124126.1 Ų126.176%0.76179%0.787SS**  cis-166.3146.548.746.70000113.6
838S31.1Very low33.3Very low115 Ų115130.1 Ų130.180%0.80479%0.786SS**  trans60.6162.5134.4-59.30000121.9
839P41.1Very low33.3Very low123 Ų123133.2 Ų133.280%0.79979%0.785SS**  trans-120.3-169.5-154.644.8-34.2000115.7
840S30.3Very low33.3Very low130 Ų130133.2 Ų133.291%0.90978%0.782SS**  trans94.7140.6165.8-158.70000116.6
841G29.2Very low33.2Very low59 Ų59136.1 Ų136.161%0.60878%0.782SS**  trans139.1108.7172.800000115.7
842N33.3Very low32.9Very low166 Ų166136.9 Ų136.989%0.88878%0.776SS**  trans61.998.4143.5-56.8-14.5000121
843K33.1Very low32.8Very low198 Ų198140 Ų14086%0.86177%0.771SS**  trans-51.8173.9131-66.7-177.1179.7-179.70111.5
844P36.6Very low32.3Very low110 Ų110140.9 Ų140.971%0.71477%0.768SS**  cis-137.5-156-21.224.22.6000112.3
845V28.5Very low32.1Very low108 Ų108141.3 Ų141.366%0.65577%0.766SS**  trans96.2132.8144169.60000120.4
846H29.6Very low31.8Very low185 Ų185139.8 Ų139.886%0.85676%0.764SS**  trans67.4150.7165.3-67.6-25.5000118.4
847S32.6Very low31.6Very low118 Ų118138.7 Ų138.783%0.82576%0.763SS**  cis-133.2178.87.957.10000113.4
848R26.7Very low31.2Very low225 Ų225138.3 Ų138.385%0.84976%0.76SS**  trans-114141-169.5-70.7179.7176.8167.3-2.3112.6
849F34.3Very low30.9Very low184 Ų184139.2 Ų139.281%0.80776%0.756SS**  trans53.5163.8134.8-78.2-65.4000120.2
850P32.6Very low30.3Very low119 Ų119136.7 Ų136.777%0.77373%0.733SS**  cis-138.7176.634.641.4-20.9000119.1
851K34Very low30Very low168 Ų168135.6 Ų135.673%0.7371%0.714SS**  trans-90.6147.8165.6-67.5177.4175178.10110.4
852D29.1Very low30.1Very low131 Ų131138.9 Ų138.970%0.70172%0.724SS**  trans-150.1112.3149.6-92.3-35.2000105.8
853H32.4Very low29.9Very low141 Ų141137.4 Ų137.465%0.65372%0.716SS**  59.9103.277.8-86.194.4000116
854N29.3Very low30Very low143 Ų143134.1 Ų134.177%0.76571%0.713SS**  -174.6123.6111-96.6-59.5000112.9
855H30.7Very low29.9Very low159 Ų159134 Ų13474%0.73671%0.712SS**  trans27.7150.7131-68.5-30.8000122.5
856C25.1Very low30.1Very low92 Ų92133.3 Ų133.362%0.62271%0.708SS**  cis-160.7145.222.1-134.60000114.3
857T28.4Very low30.2Very low115 Ų115127.7 Ų127.771%0.70669%0.69SS**  trans47.1146.4135.1580000122.5
858T27.1Very low30.1Very low115 Ų115125.9 Ų125.971%0.70667%0.673SS**  cis-163.414713.7-2.10000114.5
859L25.1Very low30.4Very low135 Ų135121.6 Ų121.671%0.70767%0.665SS**  trans27.4129.8138.7-70.2168.8000122.9
860H27.4Very low30.1Very low69 Ų69117.7 Ų117.732%0.31966%0.656SS.*  -176.6152.291.4-112.989.1000116.3Y519 Q520Y519-H860 WeakPolarHBondContact CE1-O 3.49Å; Q520-H860 HydrophobicContact CG-CB 3.55Å
861Q25.9Very low30Very low108 Ų108118.5 Ų118.551%0.50565%0.653SS.*  trans-27.6153.7171-58.6160.2-3.100121.9Q520 N863Q520-Q861 PolarHBondContact NE2-O 3.12Å; Q861-N863 PolarHBondContact OE1-ND2 2.76Å
862P30.2Very low29.8Very low128 Ų128115.7 Ų115.783%0.83165%0.65SS**  trans-100.112715034.6-25.8000112.5
863N29.1Very low29.8Very low135 Ų135117.8 Ų117.872%0.72265%0.653SS**  trans-128148.1175.5-86.8-39.9000111.9Q861Q861-N863 PolarHBondContact OE1-ND2 2.76Å
864T35.1Very low29.5Very low129 Ų129115.5 Ų115.579%0.79166%0.659SS**  trans-80.6157.7170.2540000110.7
865P34.8Very low29.4Very low107 Ų107113.1 Ų113.170%0.69566%0.659SS**  -157.7-130.378.643.5-19.4000115.6
866V31.8Very low29.2Very low94 Ų94109.8 Ų109.857%0.5766%0.659SS**  trans-146.3-175.5-168-74.20000109.7P219 Y220P219-V866 CarbonylContact O-C 3.59Å; Y220-V866 CarbonylContact O-C 3.51Å; Y220-V866 WeakPolarHBondContact O-CA 3.32Å
867S31.7Very low29.3Very low67 Ų67113.6 Ų113.647%0.46967%0.667SS.*  cis-157.9148.319.3-150.20000115.8P219 Y220P219-S867 CarbonylContact C-O 3.58Å; P219-S867 CarbonylContact O-C 3.53Å; P219-S867 PolarHBondContact O-N 3.07Å; Y220-S867 VanDerWaalsContact C-CA 3.5Å; Y220-S867 CarbonylContact O-C 3.6Å; Y220-S867 WeakPolarHBondContact O-CA 3.46Å; Y220-S867 PolarHBondContact O-N 2.89Å; Y220-S867 VanDerWaalsContact O-N 3.16Å
868V31.8Very low29.2Very low80 Ų80115.1 Ų115.149%0.48567%0.667SS.*BIsolated β-bridgetrans59.8140.7165.1-106.60000124.3Y220 S221Y220-V868 VanDerWaalsContact C-N 3.35Å; S221-V868 VanDerWaalsContact CB-N 3.26Å; S221-V868 CarbonylContact O-C 3.11Å
869M31.7Very low29.3Very low135 Ų135117.4 Ų117.467%0.66567%0.669SS**  trans57.5159.6136.7-82.5169.1-179.200121.8S221 I223S221-M869 PolarHBondContact O-N 3.24Å; I223-M869 HydrophobicContact CD1-CE 4.14Å
870T29.8Very low29.4Very low102 Ų102115.3 Ų115.363%0.62667%0.666SS**  cis-149176.53.6-126.40000113.8
871L30Very low29.3Very low136 Ų136117.9 Ų117.971%0.71269%0.692SS**  trans-45.6173.2173.3-63.6148.5000115.6
872T30Very low29.5Very low109 Ų109115.1 Ų115.167%0.66969%0.692SS**  cis-171137.847.6-44.30000114.6
873F28Very low29.4Very low175 Ų175113.9 Ų113.977%0.76868%0.678SS**  trans57.2126.9150.4-81.8-131.9000124.8
874A27.2Very low29.4Very low93 Ų93111.2 Ų111.277%0.76966%0.663SS**  64.8155.6124.800000121.1
875A26.2Very low29.5Very low92 Ų92109.3 Ų109.376%0.7665%0.653SS**  cis-151.5169.73.900000112.9
876A26.5Very low29.3Very low90 Ų90110 Ų11074%0.74466%0.655SS**  trans63.6125.2147.100000123.3
877Q27Very low29.2Very low171 Ų171113.6 Ų113.680%0.79967%0.67SS**  trans68.5106.1133.8-67.9-177.2-1300123.2
878Q27.7Very low29.1Very low148 Ų148113.4 Ų113.469%0.69268%0.679SS**  70.8138.2119.2-68.7-166.113.800123.2
879Q27.5Very low28.9Very low162 Ų162116.2 Ų116.276%0.75769%0.69SS**  trans66.5148.7150.7-69.9174.65700118.6
880S27.4Very low28.7Very low91 Ų91120.2 Ų120.264%0.63670%0.698SS**  cis179.3163.9-37.346.20000108
881S27.1Very low28.9Very low124 Ų124117.9 Ų117.987%0.86768%0.682SS**  trans76.5139.4-173.2-30.60000113.8
882G28.9Very low28.9Very low49 Ų49116.2 Ų116.251%0.50568%0.681SS.*  cis143.7176.90.300000111.1A508A508-G882 WeakPolarHBondContact O-CA 3.38Å
883I28Very low28.9Very low103 Ų103115.5 Ų115.553%0.52868%0.681SS.*  trans81.8141.4164.7-47.8177.7000117N506 G507 A508N506-I883 HydrophobicContact CB-CB 4.05Å; N506-I883 HydrophobicContact CB-CD1 3.71Å; N506-I883 HydrophobicContact CB-CG1 3.54Å; N506-I883 HydrophobicContact CB-CG2 3.57Å; G507-I883 WeakPolarHBondContact O-CA 3.49Å; G507-I883 PolarHBondContact O-N 2.87Å; A508-I883 PolarHBondContact O-N 3.13Å
884N29.2Very low28.9Very low79 Ų79113.7 Ų113.742%0.42268%0.679SS.*  cis-159.2179.1-48.3-137.77.9000108.5N506 G507 A508N506-N884 HydrophobicContact CB-CB 4.49Å; N506-N884 PolarHBondContact OD1-ND2 3.47Å; G507-N884 VanDerWaalsContact CA-CG 3.49Å; G507-N884 VanDerWaalsContact CA-ND2 3.28Å; G507-N884 WeakPolarHBondContact CA-ND2 3.4Å; A508-N884 WeakPolarHBondContact CA-OD1 3.14Å; A508-N884 VanDerWaalsContact CB-CA 3.5Å; A508-N884 HydrophobicContact CB-CB 4.06Å; A508-N884 WeakPolarHBondContact CB-OD1 3.24Å; A508-N884 PolarHBondContact N-OD1 2.84Å
885P37.8Very low28.9Very low88 Ų88117 Ų11757%0.57168%0.679SS**  -134.5-152.5-123.143.5-21.4000115.9
886T30.7Very low28.9Very low122 Ų122117 Ų11775%0.74868%0.678SS**  trans73.4120.3155.7400000121.9
887L28.8Very low29Very low169 Ų169118.5 Ų118.589%0.88568%0.683SS**  175.8153110.4-96.6158.7000114.1
888G29.4Very low28.9Very low64 Ų64118.9 Ų118.966%0.6669%0.685SS**  trans91.3115.7170.500000115.9
889I28.2Very low28.8Very low138 Ų138121.7 Ų121.771%0.70870%0.695SS**  cis73.4127.825-47.2179000111.4
890R27.5Very low28.8Very low219 Ų219122.3 Ų122.383%0.82670%0.698SS**  cis-144-175.924.3-143.1157.9-157.4175.95114.3
891N32.9Very low29.2Very low54 Ų54123.3 Ų123.329%0.28970%0.702SS.*  trans-132.9167.8176.2-149.771.4000111.3R455 G456 V457R455-N891 VanDerWaalsContact C-ND2 3.31Å; R455-N891 WeakPolarHBondContact CB-OD1 3.46Å; R455-N891 PolarHBondContact O-ND2 2.81Å; R455-N891 PolarHBondContact O-OD1 2.68Å; R455-N891 VanDerWaalsContact O-OD1 3.13Å; G456-N891 PolarHBondContact N-ND2 2.75Å; G456-N891 PolarHBondContact N-OD1 3.26Å; G456-N891 VanDerWaalsContact N-OD1 3.07Å; V457-N891 HydrophobicContact CB-CB 3.8Å; V457-N891 HydrophobicContact CG2-CB 3.89Å
892S30.6Very low29.5Very low101 Ų101122.3 Ų122.371%0.70669%0.693SS**  trans-174.6137151-124.80000115.7
893S30.3Very low29.4Very low93 Ų93130.9 Ų130.965%0.6571%0.711SS**  trans55.3143.1132.970.30000121.8
894D29Very low29.4Very low137 Ų137136.3 Ų136.373%0.73373%0.727SS**  cis-167.6178.6-0-131.7-45.6000114.6
895Q26.6Very low29.5Very low164 Ų164135.4 Ų135.477%0.76674%0.736SS**  trans67.6103.7148.3-76.6170.854.500122.4
896A25.7Very low29.2Very low91 Ų91140.9 Ų140.975%0.75275%0.751SS**  59.5112.2114.700000121.8
897S28.5Very low29.1Very low121 Ų121140.7 Ų140.785%0.84675%0.752SS**  -163.7142.9113.722.50000112.4
898H24.7Very low29.2Very low180 Ų180138.8 Ų138.883%0.83375%0.747SS**  trans-65.6146.1167.8-72.6-27.6000111.5
899F26.8Very low29.3Very low207 Ų207141.6 Ų141.691%0.90875%0.747SS**  -166144.2121.3-103.5-70.6000111
900Q27.6Very low29.4Very low175 Ų175139.9 Ų139.982%0.81875%0.748SS**  trans-105.3-173.9163.4-57.7-173-26.600108
901P36Very low29.6Very low112 Ų112134.2 Ų134.273%0.72774%0.737SS**  cis-121.4-135.3-8.739.1-17.4000109.6
902P31.7Very low29.5Very low103 Ų103137.9 Ų137.967%0.66976%0.762SS**  cis-112.8155.522.840.6-30.3000116.1
903Y27.1Very low29.6Very low228 Ų228137.2 Ų137.289%0.89476%0.763SS**  trans-85.6147.5156.5-129.2-108.2000108.1
904Y28.9Very low30Very low218 Ų218138 Ų13886%0.85577%0.766SS**  trans-116.1108.4164.6-105-79.9000109.6
905G29.8Very low30.1Very low59 Ų59137.2 Ų137.261%0.60877%0.766SS**  trans-109.1166.616900000111
906F32.6Very low30.4Very low204 Ų204136.2 Ų136.290%0.89577%0.765SS**  trans-72.6153.1166.3-75.1-90.1000110.2
907P28.3Very low30.8Very low118 Ų118140.5 Ų140.577%0.76677%0.769SS**  trans-74.4142.3-161.628.4-35.8000114
908T30.9Very low31.4Very low128 Ų128139.5 Ų139.579%0.78576%0.76SS**  trans-124.295.4161.7550000108.1
909D30.6Very low31.8Very low123 Ų123138.1 Ų138.166%0.65876%0.759SS**  trans-69.8144.5164.7-89-21.1000109.2
910S31.3Very low32.2Very low102 Ų102132.8 Ų132.871%0.71375%0.747SS**  trans-159.3132.9172.750.50000110
911T32Very low32.4Very low100 Ų100128.4 Ų128.461%0.61374%0.736SS**  trans-126.5110.1-177.63.40000111.9E1494T911-E1494 PolarHBondContact N-OE1 2.71Å; T911-E1494 PolarHBondContact OG1-OE1 3Å
912T30.6Very low32.3Very low132 Ų132132.8 Ų132.881%0.8174%0.74SS**  trans31.4131.4140.855.10000119.8
913A33Very low32.3Very low87 Ų87134.9 Ų134.972%0.71974%0.744SS**  cis-179.6-159.66.800000108
914P38.3Very low32.3Very low109 Ų109129 Ų12971%0.70874%0.736SS**  -125.3179.9-68.232-15.6000113.6
915T30.4Very low32.4Very low121 Ų121126.8 Ų126.874%0.74273%0.733SS**  trans65.2120.5153.3230000118
916L33.7Very low32.4Very low142 Ų142129.6 Ų129.674%0.74374%0.744SS**  -173.1119.863.3-110.2157.4000112.8
917Q34.2Very low32.3Very low181 Ų181126.4 Ų126.485%0.84674%0.736SS**  trans56162.2135.6-77.7-163.73.800123
918P41Very low32.4Very low101 Ų101125.1 Ų125.166%0.65673%0.728SS**  trans-117.7179.7-148.544.2-35.7000114.4
919N32.7Very low32.4Very low151 Ų151124.9 Ų124.981%0.80773%0.729SS**  -164.6166116.1-114.3-43.9000116.5
920S35.5Very low32.5Very low94 Ų94125.8 Ų125.866%0.65773%0.733SS**  trans72.886.4152.1-640000121.1
921S32.3Very low32.3Very low84 Ų84129.1 Ų129.159%0.58774%0.736SS**  104.3123.4101.1-710000121.8
922Y32.9Very low32.4Very low204 Ų204131.1 Ų131.180%0.874%0.742SS**  trans81.6104.4147.1-54.1-44.1000121.9
923L31.6Very low32.4Very low147 Ų147130.9 Ų130.977%0.7774%0.736SS**  trans76.484.8132.5-76159.1000118H925L923-H925 PolarHBondContact O-N 3.08Å
924S27.7Very low32.4Very low103 Ų103133.7 Ų133.772%0.7274%0.739SS**  trans-29.3124.7140.254.40000114.2
925H31Very low32.2Very low172 Ų172136.1 Ų136.180%0.79674%0.743SS**  trans-117.7114.8136.5-95.345000107.5L923 N927L923-H925 PolarHBondContact O-N 3.08Å; H925-N927 PolarHBondContact O-N 3.38Å; H925-N927 VanDerWaalsContact O-N 3.12Å
926S30.2Very low32.7Very low119 Ų119138 Ų13883%0.83275%0.747SS**  trans-66.710617149.20000108.5
927N29.7Very low32.8Very low137 Ų137137.1 Ų137.173%0.73375%0.75SS**  trans-59.9147.3-178.5-77-43.8000111.7H925H925-N927 PolarHBondContact O-N 3.38Å; H925-N927 VanDerWaalsContact O-N 3.12Å
928P29.9Very low32.8Very low90 Ų90136.6 Ų136.658%0.58475%0.752SS**  trans-66.3163.2179.229.9-36.5000111.7L930P928-L930 PolarHBondContact O-N 3.29Å
929P32.3Very low32.9Very low124 Ų124142.1 Ų142.181%0.80576%0.76SS**  trans-57.7113.317225.1-34.5000110.1H931P929-H931 PolarHBondContact O-N 3.45Å
930L31.5Very low33Very low142 Ų142141.2 Ų141.274%0.74376%0.762SS**  trans-70.8102.8-173.5-68.7177.6000111.2P928 I932P928-L930 PolarHBondContact O-N 3.29Å; L930-I932 PolarHBondContact O-N 2.91Å
931H28.4Very low33.3Very low171 Ų171141.3 Ų141.379%0.79276%0.759SS**  trans-60111.2153.9-85.444.2000108.5P929 N933P929-H931 PolarHBondContact O-N 3.45Å; H931-N933 VanDerWaalsContact C-N 3.34Å; H931-N933 PolarHBondContact O-N 2.8Å; H931-N933 VanDerWaalsContact O-N 3.09Å
932I33.1Very low33.7Very low143 Ų143144.9 Ų144.973%0.73377%0.771SS**  trans-83.384.3171.9-59.3-179000108.6L930L930-I932 PolarHBondContact O-N 2.91Å
933N30Very low34.1Very low126 Ų126142 Ų14267%0.67477%0.77SS**  trans-90.899.4159.5-83.4-5.3000108.5H931 M935H931-N933 VanDerWaalsContact C-N 3.34Å; H931-N933 PolarHBondContact O-N 2.8Å; H931-N933 VanDerWaalsContact O-N 3.09Å; N933-M935 WeakPolarHBondContact O-CG 3.25Å
934N35Very low35Very low146 Ų146140.4 Ų140.478%0.78177%0.766SS**  trans-114.898.6164.2-82.91.3000107.8
935M33.7Very low36.1Very low161 Ų161139.4 Ų139.479%0.79376%0.764SS**  82.181.867.5-68-71.9178.600113.7N933N933-M935 WeakPolarHBondContact O-CG 3.25Å
936L39.8Very low37.6Very low160 Ų160137.4 Ų137.484%0.83877%0.766SS**  trans-109.5151.9144.7-80171.8000108.3L938L936-L938 PolarHBondContact O-N 3.2Å
937P35.4Very low39.9Very low124 Ų124140.2 Ų140.281%0.80577%0.766SS**  trans-75.6116.4-156.527.4-35.2000114.1R939P937-R939 PolarHBondContact O-N 3.09Å
938L34.8Very low42.9Very low169 Ų169139 Ų13989%0.88575%0.751SS**  trans-67111.5170.9-78.2164.1000111.5L936L936-L938 PolarHBondContact O-N 3.2Å
939R42.6Very low46Very low218 Ų218135.9 Ų135.982%0.82373%0.731SS**  trans-72.7135.3151.1-96.6-177.3168-178.9-3.1108.5P937 T941P937-R939 PolarHBondContact O-N 3.09Å; R939-T941 PolarHBondContact O-N 2.98Å; R939-T941 VanDerWaalsContact O-N 3.1Å
940P36.4Very low49Very low132 Ų132138.8 Ų138.886%0.85773%0.726SS**  trans-80.889.2173.231.9-33000110.7
941T41.2Very low52Low95 Ų95134 Ų13458%0.58370%0.701SS**  trans-115.3148158.145.50000109.3R939 D943R939-T941 PolarHBondContact O-N 2.98Å; R939-T941 VanDerWaalsContact O-N 3.1Å; T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 3.01Å
942N40.8Very low55.3Low159 Ų159126 Ų12685%0.8566%0.664SS**  trans-79.178-173.8-66.4-36.5000110.8V944N942-V944 PolarHBondContact O-N 3.07Å
943D40.2Very low58.2Low143 Ų143122.8 Ų122.877%0.76565%0.646SS**  trans-74.471.3176.5-65.9-7.1000110.4T941 A945T941-D943 VanDerWaalsContact C-N 3.3Å; T941-D943 PolarHBondContact O-N 3.01Å; D943-A945 PolarHBondContact O-N 3.23Å
944V50.6Low61.3Low115 Ų115118.8 Ų118.870%0.69762%0.623SS**  trans-59.7121.4157.7-178.70000106.2N942N942-V944 PolarHBondContact O-N 3.07Å
945A52.7Low64.2Low81 Ų81113.6 Ų113.667%0.66959%0.594SS**  trans-51.6129.1175.500000108.8D943 E947D943-A945 PolarHBondContact O-N 3.23Å; A945-E947 PolarHBondContact O-N 2.9Å
946P61.5Low67Low130 Ų130109.6 Ų109.684%0.84457%0.57SS**  trans-55.1112.8-164.319-32.1000110.4R948P946-R948 PolarHBondContact O-N 3.36Å
947E79.5Confident69.6Low178 Ų178105.8 Ų105.883%0.83255%0.55SS**PPolyproline II helixtrans-65131.5-177.5-169.9170.3-164.500108.4A945 S949A945-E947 PolarHBondContact O-N 2.9Å; E947-S949 PolarHBondContact O-N 3.39Å
948R91.4Very high72.2Confident113 Ų113104.8 Ų104.843%0.42655%0.546SS..PPolyproline II helixtrans-53.1138.6178.6-73.5-176.7171.675.57.2109.3P946 L952 E953 D978P946-R948 PolarHBondContact O-N 3.36Å; R948-L952 HydrophobicContact CB-CB 4.48Å; R948-L952 HydrophobicContact CB-CD2 4.21Å; R948-L952 HydrophobicContact CB-CG 4.47Å; R948-L952 HydrophobicContact CG-CD2 3.84Å; R948-L952 HydrophobicContact CG-CG 4.41Å; R948-E953 HydrophobicContact CB-CB 4.36Å; R948-E953 WeakPolarHBondContact CD-OE2 3.43Å; R948-D978 IonicContact CZ-OD1 3.72Å; R948-D978 VanDerWaalsContact CZ-OD1 3.31Å; R948-D978 IonicContact NE-OD1 2.75Å; R948-D978 PolarHBondContact NE-OD1 2.91Å; R948-D978 IonicContact NH2-OD1 3.21Å; R948-D978 PolarHBondContact NH2-OD1 3.31Å
949S95.2Very high74.9Confident23 Ų23104.6 Ų104.616%0.16153%0.534CS..PPolyproline II helixtrans-55.5148.3172.371.10000109.8E947 L951 L952 E953 H971 E974E947-S949 PolarHBondContact O-N 3.39Å; S949-L951 PolarHBondContact O-N 3.04Å; S949-L951 VanDerWaalsContact O-N 3.09Å; S949-L952 PolarHBondContact O-N 3.48Å; S949-L952 PolarHBondContact OG-N 3.15Å; S949-E953 PolarHBondContact O-N 3.33Å; S949-H971 VanDerWaalsContact CB-CE1 3.43Å; S949-H971 WeakPolarHBondContact CB-CE1 3.43Å; S949-H971 PolarHBondContact OG-ND1 3.27Å; S949-E974 WeakPolarHBondContact CB-OE1 3.09Å; S949-E974 WeakPolarHBondContact CB-OE2 3.27Å; S949-E974 PolarHBondContact N-OE1 2.9Å; S949-E974 VanDerWaalsContact OG-CD 3.23Å; S949-E974 PolarHBondContact OG-OE1 2.98Å; S949-E974 VanDerWaalsContact OG-OE1 3.08Å; S949-E974 PolarHBondContact OG-OE2 3.13Å
950R94.5Very high77.1Confident186 Ų18696.4 Ų96.470%0.70251%0.506SS*.Hα-helixtrans-54.8-31.5176.7-177.3175.2170.4-146.1-19.1111.9E954R950-E954 HydrophobicContact CG-CG 4.19Å; R950-E954 IonicContact CZ-OE1 3.78Å; R950-E954 IonicContact NE-OE1 2.84Å; R950-E954 PolarHBondContact NE-OE1 2.82Å; R950-E954 IonicContact NH2-OE1 3.81Å; R950-E954 PolarHBondContact NH2-OE1 3.44Å; R950-E954 IonicContact NH2-OE2 2.77Å; R950-E954 VanDerWaalsContact O-CB 3.24Å; R950-E954 WeakPolarHBondContact O-CB 3.42Å; R950-E954 VanDerWaalsContact O-CG 3.26Å; R950-E954 WeakPolarHBondContact O-CG 3.38Å; R950-E954 PolarHBondContact O-N 3.36Å
951L96.1Very high79.5Confident40 Ų4095.6 Ų95.621%0.20950%0.501CS..Hα-helixtrans-64.8-50175.5-174.968.2000111.7S949 F955 L960 L963 D967 L968 H971 F975S949-L951 PolarHBondContact O-N 3.04Å; S949-L951 VanDerWaalsContact O-N 3.09Å; L951-F955 WeakPolarHBondContact O-CB 3.41Å; L951-F955 PolarHBondContact O-N 3.3Å; L951-L960 HydrophobicContact CD1-CD1 3.79Å; L951-L963 HydrophobicContact CD1-CD1 4.37Å; L951-D967 WeakPolarHBondContact CD2-O 2.8Å; L951-L968 HydrophobicContact CD2-CD2 3.96Å; L951-L968 HydrophobicContact CG-CD2 4.45Å; L951-H971 HydrophobicContact CD2-CB 3.91Å; L951-F975 HydrophobicContact CB-CE2 4.43Å; L951-F975 HydrophobicContact CD2-CE2 4.06Å; L951-F975 HydrophobicContact CD2-CZ 4.39Å; L951-F975 HydrophobicContact CG-CE2 4Å; L951-F975 HydrophobicContact CG-CZ 4.02Å
952L96.1Very high81.8Confident3 Ų396.5 Ų96.52%0.01651%0.51CS..Hα-helixtrans-65.6-40.7178.3179.759000111.9R948 S949 F955 R956 E974 F975 D978R948-L952 HydrophobicContact CB-CB 4.48Å; R948-L952 HydrophobicContact CB-CD2 4.21Å; R948-L952 HydrophobicContact CB-CG 4.47Å; R948-L952 HydrophobicContact CG-CD2 3.84Å; R948-L952 HydrophobicContact CG-CG 4.41Å; S949-L952 PolarHBondContact O-N 3.48Å; S949-L952 PolarHBondContact OG-N 3.15Å; L952-F955 HydrophobicContact CD1-CD1 4.44Å; L952-F955 PolarHBondContact O-N 3.09Å; L952-R956 HydrophobicContact CD1-CG 4.17Å; L952-R956 HydrophobicContact CG-CG 4.48Å; L952-R956 WeakPolarHBondContact O-CB 3.43Å; L952-R956 VanDerWaalsContact O-CG 3.23Å; L952-R956 WeakPolarHBondContact O-CG 3.34Å; L952-R956 PolarHBondContact O-N 2.97Å; L952-E974 HydrophobicContact CD2-CG 4.01Å; L952-E974 WeakPolarHBondContact CD2-OE1 3.2Å; L952-F975 VanDerWaalsContact CA-CE2 3.5Å; L952-F975 VanDerWaalsContact CA-CZ 3.5Å; L952-F975 HydrophobicContact CB-CD2 4.09Å; L952-F975 HydrophobicContact CB-CE2 3.54Å; L952-F975 HydrophobicContact CB-CZ 4.01Å; L952-F975 HydrophobicContact CD1-CD1 4.08Å; L952-F975 HydrophobicContact CD1-CD2 3.93Å; L952-F975 HydrophobicContact CD1-CE1 3.98Å; L952-F975 HydrophobicContact CD1-CE2 3.87Å; L952-F975 HydrophobicContact CD1-CG 4.04Å; L952-F975 HydrophobicContact CD1-CZ 3.88Å; L952-F975 HydrophobicContact CG-CD2 4.47Å; L952-F975 HydrophobicContact CG-CE2 4.26Å; L952-D978 HydrophobicContact CD1-CB 3.91Å; L952-D978 HydrophobicContact CD2-CB 3.74Å; L952-D978 HydrophobicContact CG-CB 4.43Å
953E94.7Very high84.3Confident76 Ų7689.4 Ų89.436%0.35547%0.472SS..Hα-helixtrans-72.5-38.1179.8-167.356-151.200112R948 S949 R956 N957R948-E953 HydrophobicContact CB-CB 4.36Å; R948-E953 WeakPolarHBondContact CD-OE2 3.43Å; S949-E953 PolarHBondContact O-N 3.33Å; E953-R956 PolarHBondContact O-N 3.22Å; E953-R956 IonicContact OE2-NE 2.67Å; E953-N957 WeakPolarHBondContact O-CB 3.4Å; E953-N957 PolarHBondContact O-N 2.86Å; E953-N957 PolarHBondContact O-ND2 3.32Å; E953-N957 PolarHBondContact OE1-ND2 3.49Å
954E94.9Very high86.9Confident43 Ų4385.3 Ų85.320%0.20145%0.452CS..Hα-helixtrans-66.7-35.4172-73.4-175.5174.900112.2R950 S958 R959 L960R950-E954 HydrophobicContact CG-CG 4.19Å; R950-E954 IonicContact CZ-OE1 3.78Å; R950-E954 IonicContact NE-OE1 2.84Å; R950-E954 PolarHBondContact NE-OE1 2.82Å; R950-E954 IonicContact NH2-OE1 3.81Å; R950-E954 PolarHBondContact NH2-OE1 3.44Å; R950-E954 IonicContact NH2-OE2 2.77Å; R950-E954 VanDerWaalsContact O-CB 3.24Å; R950-E954 WeakPolarHBondContact O-CB 3.42Å; R950-E954 VanDerWaalsContact O-CG 3.26Å; R950-E954 WeakPolarHBondContact O-CG 3.38Å; R950-E954 PolarHBondContact O-N 3.36Å; E954-S958 PolarHBondContact O-N 2.88Å; E954-R959 HydrophobicContact CB-CB 4.28Å; E954-R959 WeakPolarHBondContact O-CB 3.25Å; E954-R959 PolarHBondContact O-N 3.42Å; E954-L960 HydrophobicContact CB-CD1 3.9Å; E954-L960 HydrophobicContact CB-CG 4.07Å
955F95.8Very high89Confident37 Ų3780.2 Ų80.216%0.16242%0.421CS..Hα-helixtrans-63.7-51171.5172.8-109.9000112.1L951 L952 N957 S958 L960 L963 F975 F984L951-F955 WeakPolarHBondContact O-CB 3.41Å; L951-F955 PolarHBondContact O-N 3.3Å; L952-F955 HydrophobicContact CD1-CD1 4.44Å; L952-F955 PolarHBondContact O-N 3.09Å; F955-N957 VanDerWaalsContact C-N 3.27Å; F955-N957 PolarHBondContact O-N 2.9Å; F955-S958 WeakPolarHBondContact O-CA 3.41Å; F955-S958 PolarHBondContact O-N 3.07Å; F955-L960 HydrophobicContact CB-CD1 4.33Å; F955-L963 HydrophobicContact CB-CD2 4.11Å; F955-L963 HydrophobicContact CD2-CD2 3.61Å; F955-L963 HydrophobicContact CE2-CD2 4.34Å; F955-L963 HydrophobicContact CG-CD2 3.99Å; F955-F975 HydrophobicContact CB-CE1 4.04Å; F955-F975 HydrophobicContact CB-CZ 3.98Å; F955-F975 HydrophobicContact CD1-CD1 4.34Å; F955-F975 AromaticContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CZ 4.27Å; F955-F975 HydrophobicContact CE1-CE1 4.22Å; F955-F975 AromaticContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CZ 4.28Å; F955-F984 HydrophobicContact CE1-CB 4.11Å; F955-F984 HydrophobicContact CE1-CG 4.48Å; F955-F984 HydrophobicContact CE2-CB 4.49Å; F955-F984 AromaticContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CE2 4.11Å; F955-F984 HydrophobicContact CE2-CG 4.19Å; F955-F984 HydrophobicContact CZ-CB 3.67Å; F955-F984 AromaticContact CZ-CD2 3.69Å; F955-F984 HydrophobicContact CZ-CD2 3.69Å; F955-F984 AromaticContact CZ-CG 3.82Å; F955-F984 HydrophobicContact CZ-CG 3.82Å
956R93.8Very high91Very high76 Ų7682.4 Ų82.429%0.28742%0.417SS..Hα-helixtrans-59.1-36.8177.8-74.2166.25882.215.5112.5L952 E953 S958 D978 Y980L952-R956 HydrophobicContact CD1-CG 4.17Å; L952-R956 HydrophobicContact CG-CG 4.48Å; L952-R956 WeakPolarHBondContact O-CB 3.43Å; L952-R956 VanDerWaalsContact O-CG 3.23Å; L952-R956 WeakPolarHBondContact O-CG 3.34Å; L952-R956 PolarHBondContact O-N 2.97Å; E953-R956 PolarHBondContact O-N 3.22Å; E953-R956 IonicContact OE2-NE 2.67Å; R956-S958 PolarHBondContact O-N 3.49Å; R956-D978 IonicContact CZ-OD1 2.88Å; R956-D978 IonicContact NE-OD1 3.58Å; R956-D978 VanDerWaalsContact NH1-CG 3.32Å; R956-D978 IonicContact NH1-OD1 2.85Å; R956-D978 PolarHBondContact NH1-OD1 2.83Å; R956-D978 IonicContact NH1-OD2 3.31Å; R956-D978 PolarHBondContact NH1-OD2 3.49Å; R956-Y980 HydrophobicContact CG-CD2 4.39Å; R956-Y980 HydrophobicContact CG-CG 4.48Å
957N93.1Very high92.5Very high80 Ų8080 Ų8043%0.42840%0.397SS..THydrogen-bonded Turntrans-78.214.8173-73.4-79.7000113.9E953 F955 R959E953-N957 WeakPolarHBondContact O-CB 3.4Å; E953-N957 PolarHBondContact O-N 2.86Å; E953-N957 PolarHBondContact O-ND2 3.32Å; E953-N957 PolarHBondContact OE1-ND2 3.49Å; F955-N957 VanDerWaalsContact C-N 3.27Å; F955-N957 PolarHBondContact O-N 2.9Å; N957-R959 HydrophobicContact CB-CG 4.14Å; N957-R959 PolarHBondContact O-N 3.04Å; N957-R959 VanDerWaalsContact O-N 3.14Å
958S90.8Very high93.3Very high103 Ų10371.5 Ų71.572%0.7236%0.357SS*.THydrogen-bonded Turntrans57.424.4177.8-570000115E954 F955 R956E954-S958 PolarHBondContact O-N 2.88Å; F955-S958 WeakPolarHBondContact O-CA 3.41Å; F955-S958 PolarHBondContact O-N 3.07Å; R956-S958 PolarHBondContact O-N 3.49Å
959R91Very high93.5Very high165 Ų16568.4 Ų68.462%0.62335%0.349SS*.  trans-83.8-13.4-179.6-55.4-176.3-178.3171.22.8113.2E954 N957 P961E954-R959 HydrophobicContact CB-CB 4.28Å; E954-R959 WeakPolarHBondContact O-CB 3.25Å; E954-R959 PolarHBondContact O-N 3.42Å; N957-R959 HydrophobicContact CB-CG 4.14Å; N957-R959 PolarHBondContact O-N 3.04Å; N957-R959 VanDerWaalsContact O-N 3.14Å; R959-P961 VanDerWaalsContact O-CD 3.29Å; R959-P961 WeakPolarHBondContact O-CD 3.33Å
960L89.4Confident93.5Very high46 Ų4674 Ų7424%0.24138%0.377CS..  trans-119.665.6-176.2-56.9177.1000111.3L951 E954 F955 C962 L963L951-L960 HydrophobicContact CD1-CD1 3.79Å; E954-L960 HydrophobicContact CB-CD1 3.9Å; E954-L960 HydrophobicContact CB-CG 4.07Å; F955-L960 HydrophobicContact CB-CD1 4.33Å; L960-C962 VanDerWaalsContact C-N 3.31Å; L960-C962 PolarHBondContact O-N 3.11Å; L960-L963 HydrophobicContact CB-CB 4.41Å; L960-L963 HydrophobicContact CB-CD1 4.37Å; L960-L963 HydrophobicContact CB-CD2 4.41Å; L960-L963 HydrophobicContact CD1-CD1 4.3Å; L960-L963 HydrophobicContact CD1-CD2 4.5Å
961P86.2Confident93.6Very high115 Ų11568.1 Ų68.175%0.74736%0.357SS*.THydrogen-bonded Turntrans-69.8-23.9-173.128.6-36.5000114.2R959R959-P961 VanDerWaalsContact O-CD 3.29Å; R959-P961 WeakPolarHBondContact O-CD 3.33Å
962C89.7Confident93.7Very high114 Ų11466.2 Ų66.277%0.7735%0.347SS*.THydrogen-bonded Turntrans-10015.6-176-59.50000113.8L960L960-C962 VanDerWaalsContact C-N 3.31Å; L960-C962 PolarHBondContact O-N 3.11Å
963L92.9Very high93.8Very high10 Ų1067 Ų675%0.05235%0.352CS..  trans-59.7144.4-174.4-15964.6000112L951 F955 L960 D967 L968 F975 F984 K988L951-L963 HydrophobicContact CD1-CD1 4.37Å; F955-L963 HydrophobicContact CB-CD2 4.11Å; F955-L963 HydrophobicContact CD2-CD2 3.61Å; F955-L963 HydrophobicContact CE2-CD2 4.34Å; F955-L963 HydrophobicContact CG-CD2 3.99Å; L960-L963 HydrophobicContact CB-CB 4.41Å; L960-L963 HydrophobicContact CB-CD1 4.37Å; L960-L963 HydrophobicContact CB-CD2 4.41Å; L960-L963 HydrophobicContact CD1-CD1 4.3Å; L960-L963 HydrophobicContact CD1-CD2 4.5Å; L963-D967 HydrophobicContact CD1-CB 3.44Å; L963-D967 VanDerWaalsContact CD1-CB 3.44Å; L963-D967 HydrophobicContact CG-CB 4.25Å; L963-L968 HydrophobicContact CD2-CD2 3.7Å; L963-L968 HydrophobicContact CG-CD2 4.16Å; L963-F975 HydrophobicContact CD2-CE1 4.12Å; L963-F975 HydrophobicContact CD2-CZ 4.35Å; L963-F984 HydrophobicContact CB-CE2 3.98Å; L963-F984 HydrophobicContact CB-CZ 3.75Å; L963-F984 HydrophobicContact CD2-CE1 4.47Å; L963-F984 HydrophobicContact CD2-CZ 4.15Å; L963-F984 HydrophobicContact CG-CE1 4.49Å; L963-F984 HydrophobicContact CG-CZ 3.92Å; L963-F984 VanDerWaalsContact O-CZ 3.3Å; L963-F984 WeakPolarHBondContact O-CZ 3.43Å; L963-K988 WeakPolarHBondContact O-CE 3.49Å; L963-K988 PolarHBondContact O-NZ 3.03Å
964T94.4Very high93.9Very high58 Ų5865.9 Ų65.936%0.35635%0.346SS..  trans-118.6176177740000111.3H966 D967T964-H966 VanDerWaalsContact C-N 3.31Å; T964-H966 PolarHBondContact OG1-N 3.26Å; T964-D967 WeakPolarHBondContact CA-OD2 3.49Å; T964-D967 VanDerWaalsContact CB-OD2 3.27Å; T964-D967 WeakPolarHBondContact CB-OD2 3.44Å; T964-D967 WeakPolarHBondContact CG2-OD2 3.48Å; T964-D967 PolarHBondContact N-OD2 2.87Å; T964-D967 VanDerWaalsContact OG1-CG 3.26Å; T964-D967 PolarHBondContact OG1-N 3.21Å; T964-D967 PolarHBondContact OG1-OD2 3.14Å
965L95.7Very high94.1Very high8 Ų863.8 Ų63.84%0.04234%0.337CS..SBendtrans-70.2-28.5172.4-69.6171.8000112.5L968 M969 I985 K988 L989 A992 D996 V1000L965-L968 PolarHBondContact O-N 3.47Å; L965-M969 WeakPolarHBondContact O-CE 3.14Å; L965-I985 HydrophobicContact CD2-CB 4.5Å; L965-I985 HydrophobicContact CD2-CG1 4.2Å; L965-I985 HydrophobicContact CD2-CG2 4.44Å; L965-K988 HydrophobicContact CD1-CB 3.83Å; L965-K988 HydrophobicContact CD2-CB 3.8Å; L965-K988 HydrophobicContact CD2-CG 4.48Å; L965-K988 HydrophobicContact CG-CB 3.63Å; L965-K988 HydrophobicContact CG-CG 4.37Å; L965-L989 HydrophobicContact CD1-CD2 4.22Å; L965-A992 HydrophobicContact CD1-CB 3.66Å; L965-D996 HydrophobicContact CD1-CB 4.3Å; L965-V1000 HydrophobicContact CB-CG2 4.01Å; L965-V1000 HydrophobicContact CD1-CG2 4.1Å; L965-V1000 HydrophobicContact CD2-CG2 4.05Å; L965-V1000 HydrophobicContact CG-CG2 4.26Å
966H93.5Very high94.2Very high126 Ų12662 Ų6258%0.58333%0.329SS*.G310 helixtrans-70.8-33.7178.8-16979.3000111.9T964 L968 M969T964-H966 VanDerWaalsContact C-N 3.31Å; T964-H966 PolarHBondContact OG1-N 3.26Å; H966-L968 PolarHBondContact O-N 3.12Å; H966-M969 VanDerWaalsContact O-CG 3.24Å; H966-M969 WeakPolarHBondContact O-CG 3.45Å; H966-M969 PolarHBondContact O-N 2.71Å
967D94.8Very high94.4Very high79 Ų7962.8 Ų62.842%0.42234%0.336SS..G310 helixtrans-68-14.9175.3-54-57.1000113.2L951 L963 T964L951-D967 WeakPolarHBondContact CD2-O 2.8Å; L963-D967 HydrophobicContact CD1-CB 3.44Å; L963-D967 VanDerWaalsContact CD1-CB 3.44Å; L963-D967 HydrophobicContact CG-CB 4.25Å; T964-D967 WeakPolarHBondContact CA-OD2 3.49Å; T964-D967 VanDerWaalsContact CB-OD2 3.27Å; T964-D967 WeakPolarHBondContact CB-OD2 3.44Å; T964-D967 WeakPolarHBondContact CG2-OD2 3.48Å; T964-D967 PolarHBondContact N-OD2 2.87Å; T964-D967 VanDerWaalsContact OG1-CG 3.26Å; T964-D967 PolarHBondContact OG1-N 3.21Å; T964-D967 PolarHBondContact OG1-OD2 3.14Å
968L95.7Very high94.6Very high0 Ų059.2 Ų59.20%032%0.317CS..G310 helixtrans-93.32.1179.1-63.4-167.5000114.3L951 L963 L965 H966 N970 H971 I972 F975 F984 I985L951-L968 HydrophobicContact CD2-CD2 3.96Å; L951-L968 HydrophobicContact CG-CD2 4.45Å; L963-L968 HydrophobicContact CD2-CD2 3.7Å; L963-L968 HydrophobicContact CG-CD2 4.16Å; L965-L968 PolarHBondContact O-N 3.47Å; H966-L968 PolarHBondContact O-N 3.12Å; L968-N970 PolarHBondContact O-N 3.24Å; L968-H971 CarbonylContact O-C 3.16Å; L968-H971 VanDerWaalsContact O-CA 3.31Å; L968-H971 WeakPolarHBondContact O-CA 3.48Å; L968-H971 WeakPolarHBondContact O-CB 3.25Å; L968-H971 PolarHBondContact O-N 3.42Å; L968-I972 HydrophobicContact CB-CD1 3.45Å; L968-I972 VanDerWaalsContact CB-CD1 3.45Å; L968-I972 HydrophobicContact CB-CG1 4.23Å; L968-I972 HydrophobicContact CD1-CD1 4.07Å; L968-I972 HydrophobicContact CG-CD1 4.39Å; L968-I972 PolarHBondContact O-N 3.41Å; L968-I972 VanDerWaalsContact O-N 3.07Å; L968-F975 HydrophobicContact CD1-CB 4.21Å; L968-F975 HydrophobicContact CD1-CD1 3.55Å; L968-F975 HydrophobicContact CD1-CE1 4.05Å; L968-F975 HydrophobicContact CD1-CG 3.89Å; L968-F975 HydrophobicContact CD2-CD1 3.7Å; L968-F975 HydrophobicContact CD2-CD2 4.06Å; L968-F975 HydrophobicContact CD2-CE1 3.37Å; L968-F975 HydrophobicContact CD2-CE2 3.73Å; L968-F975 HydrophobicContact CD2-CG 4.05Å; L968-F975 HydrophobicContact CD2-CZ 3.38Å; L968-F975 HydrophobicContact CG-CD1 4.29Å; L968-F975 HydrophobicContact CG-CE1 4.37Å; L968-F984 HydrophobicContact CD1-CD1 3.78Å; L968-F984 HydrophobicContact CD1-CE1 3.56Å; L968-F984 HydrophobicContact CG-CE1 4.13Å; L968-I985 HydrophobicContact CD1-CD1 4.32Å; L968-I985 HydrophobicContact CD1-CG1 3.95Å
969M94.3Very high95Very high49 Ų4958.6 Ų58.624%0.24130%0.302CS..THydrogen-bonded Turntrans-58.3134.3-177.3-67.5-69.499.600111.8L965 H966 H971 I972 V1000L965-M969 WeakPolarHBondContact O-CE 3.14Å; H966-M969 VanDerWaalsContact O-CG 3.24Å; H966-M969 WeakPolarHBondContact O-CG 3.45Å; H966-M969 PolarHBondContact O-N 2.71Å; M969-H971 PolarHBondContact O-N 2.92Å; M969-I972 HydrophobicContact CE-CD1 3.89Å; M969-I972 HydrophobicContact CE-CG1 3.67Å; M969-V1000 HydrophobicContact CE-CG2 4.17Å
970N95.2Very high95.2Very high141 Ų14156.2 Ų56.275%0.75429%0.294SS*.THydrogen-bonded Turntrans71.61.9-168.4-39.6-88.3000115.4L968 E1003L968-N970 PolarHBondContact O-N 3.24Å; N970-E1003 WeakPolarHBondContact CA-OE1 3.09Å; N970-E1003 WeakPolarHBondContact CA-OE2 3.39Å; N970-E1003 PolarHBondContact N-OE2 2.7Å
971H97.1Very high95.6Very high62 Ų6254 Ų5429%0.28728%0.283SS..THydrogen-bonded Turntrans-126.64.1175.8-70-82.7000113.1S949 L951 L968 M969 V973 E974 F975 E1003S949-H971 VanDerWaalsContact CB-CE1 3.43Å; S949-H971 WeakPolarHBondContact CB-CE1 3.43Å; S949-H971 PolarHBondContact OG-ND1 3.27Å; L951-H971 HydrophobicContact CD2-CB 3.91Å; L968-H971 CarbonylContact O-C 3.16Å; L968-H971 VanDerWaalsContact O-CA 3.31Å; L968-H971 WeakPolarHBondContact O-CA 3.48Å; L968-H971 WeakPolarHBondContact O-CB 3.25Å; L968-H971 PolarHBondContact O-N 3.42Å; M969-H971 PolarHBondContact O-N 2.92Å; H971-V973 VanDerWaalsContact C-N 3.29Å; H971-V973 PolarHBondContact O-N 2.74Å; H971-E974 IonicContact CE1-OE2 3.29Å; H971-E974 IonicContact CG-OE2 2.71Å; H971-E974 IonicContact ND1-OE2 3.01Å; H971-E974 PolarHBondContact ND1-OE2 3.15Å; H971-E974 PolarHBondContact O-N 2.79Å; H971-F975 HydrophobicContact CB-CD2 4.09Å; H971-F975 HydrophobicContact CB-CE2 4.29Å; H971-F975 WeakPolarHBondContact O-CB 3.48Å; H971-F975 WeakPolarHBondContact O-CD2 3.48Å; H971-F975 PolarHBondContact O-N 3.46Å; H971-E1003 PolarHBondContact N-OE1 3.48Å; H971-E1003 VanDerWaalsContact N-OE1 3.15Å
972I98.1Very high96.2Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-59.7-42.1-179.5-66.7-68000110.7L968 M969 F975 A976 I985 V1000 E1003 I1004L968-I972 HydrophobicContact CB-CD1 3.45Å; L968-I972 VanDerWaalsContact CB-CD1 3.45Å; L968-I972 HydrophobicContact CB-CG1 4.23Å; L968-I972 HydrophobicContact CD1-CD1 4.07Å; L968-I972 HydrophobicContact CG-CD1 4.39Å; L968-I972 PolarHBondContact O-N 3.41Å; L968-I972 VanDerWaalsContact O-N 3.07Å; M969-I972 HydrophobicContact CE-CD1 3.89Å; M969-I972 HydrophobicContact CE-CG1 3.67Å; I972-F975 PolarHBondContact O-N 3.37Å; I972-A976 VanDerWaalsContact O-CB 3.23Å; I972-A976 WeakPolarHBondContact O-CB 3.41Å; I972-A976 PolarHBondContact O-N 2.92Å; I972-I985 HydrophobicContact CD1-CD1 4.46Å; I972-I985 HydrophobicContact CG2-CD1 4.2Å; I972-I985 WeakPolarHBondContact O-CD1 3.03Å; I972-V1000 HydrophobicContact CD1-CG1 4.33Å; I972-V1000 HydrophobicContact CD1-CG2 3.81Å; I972-V1000 HydrophobicContact CG1-CG2 4.43Å; I972-V1000 HydrophobicContact CG2-CG1 3.75Å; I972-E1003 HydrophobicContact CB-CB 4.27Å; I972-E1003 HydrophobicContact CB-CG 4.35Å; I972-E1003 WeakPolarHBondContact CB-OE1 3.36Å; I972-E1003 WeakPolarHBondContact CG1-OE2 3.38Å; I972-E1003 PolarHBondContact N-OE1 3.21Å; I972-I1004 HydrophobicContact CG2-CG2 3.47Å; I972-I1004 VanDerWaalsContact CG2-CG2 3.47Å
973V98.1Very high96.5Very high20 Ų2050.6 Ų50.612%0.12124%0.239CC..Hα-helixtrans-66.5-44.2-178.8-175.60000110.5H971 A976 Q977 E1003 H1007H971-V973 VanDerWaalsContact C-N 3.29Å; H971-V973 PolarHBondContact O-N 2.74Å; V973-A976 PolarHBondContact O-N 3.16Å; V973-Q977 WeakPolarHBondContact O-CG 3.41Å; V973-Q977 PolarHBondContact O-N 3.14Å; V973-Q977 VanDerWaalsContact O-N 3.12Å; V973-E1003 HydrophobicContact CG2-CG 4.19Å; V973-E1003 WeakPolarHBondContact CG2-O 3.24Å; V973-H1007 HydrophobicContact CG1-CB 4.05Å; V973-H1007 HydrophobicContact CG2-CB 4.41Å; V973-H1007 WeakPolarHBondContact CG2-ND1 3.23Å
974E97.8Very high96.8Very high51 Ų5151 Ų5124%0.23824%0.241CC..Hα-helixtrans-61.4-47.3176.1-170.3-158.6170.300111.4S949 L952 H971 A976 Q977 D978S949-E974 WeakPolarHBondContact CB-OE1 3.09Å; S949-E974 WeakPolarHBondContact CB-OE2 3.27Å; S949-E974 PolarHBondContact N-OE1 2.9Å; S949-E974 VanDerWaalsContact OG-CD 3.23Å; S949-E974 PolarHBondContact OG-OE1 2.98Å; S949-E974 VanDerWaalsContact OG-OE1 3.08Å; S949-E974 PolarHBondContact OG-OE2 3.13Å; L952-E974 HydrophobicContact CD2-CG 4.01Å; L952-E974 WeakPolarHBondContact CD2-OE1 3.2Å; H971-E974 IonicContact CE1-OE2 3.29Å; H971-E974 IonicContact CG-OE2 2.71Å; H971-E974 IonicContact ND1-OE2 3.01Å; H971-E974 PolarHBondContact ND1-OE2 3.15Å; H971-E974 PolarHBondContact O-N 2.79Å; E974-A976 VanDerWaalsContact C-N 3.35Å; E974-A976 PolarHBondContact O-N 2.9Å; E974-Q977 CarbonylContact O-C 3.07Å; E974-Q977 PolarHBondContact O-N 3.5Å; E974-D978 PolarHBondContact O-N 3.25Å
975F98.1Very high96.9Very high0 Ų048.3 Ų48.30%022%0.224CC..Hα-helixtrans-62.4-41.4175.9-90-117.8000111.3L951 L952 F955 L963 L968 H971 I972 Q977 D978 G981 S982 I985L951-F975 HydrophobicContact CB-CE2 4.43Å; L951-F975 HydrophobicContact CD2-CE2 4.06Å; L951-F975 HydrophobicContact CD2-CZ 4.39Å; L951-F975 HydrophobicContact CG-CE2 4Å; L951-F975 HydrophobicContact CG-CZ 4.02Å; L952-F975 VanDerWaalsContact CA-CE2 3.5Å; L952-F975 VanDerWaalsContact CA-CZ 3.5Å; L952-F975 HydrophobicContact CB-CD2 4.09Å; L952-F975 HydrophobicContact CB-CE2 3.54Å; L952-F975 HydrophobicContact CB-CZ 4.01Å; L952-F975 HydrophobicContact CD1-CD1 4.08Å; L952-F975 HydrophobicContact CD1-CD2 3.93Å; L952-F975 HydrophobicContact CD1-CE1 3.98Å; L952-F975 HydrophobicContact CD1-CE2 3.87Å; L952-F975 HydrophobicContact CD1-CG 4.04Å; L952-F975 HydrophobicContact CD1-CZ 3.88Å; L952-F975 HydrophobicContact CG-CD2 4.47Å; L952-F975 HydrophobicContact CG-CE2 4.26Å; F955-F975 HydrophobicContact CB-CE1 4.04Å; F955-F975 HydrophobicContact CB-CZ 3.98Å; F955-F975 HydrophobicContact CD1-CD1 4.34Å; F955-F975 AromaticContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CE1 3.56Å; F955-F975 HydrophobicContact CD1-CZ 4.27Å; F955-F975 HydrophobicContact CE1-CE1 4.22Å; F955-F975 AromaticContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CE1 3.81Å; F955-F975 HydrophobicContact CG-CZ 4.28Å; L963-F975 HydrophobicContact CD2-CE1 4.12Å; L963-F975 HydrophobicContact CD2-CZ 4.35Å; L968-F975 HydrophobicContact CD1-CB 4.21Å; L968-F975 HydrophobicContact CD1-CD1 3.55Å; L968-F975 HydrophobicContact CD1-CE1 4.05Å; L968-F975 HydrophobicContact CD1-CG 3.89Å; L968-F975 HydrophobicContact CD2-CD1 3.7Å; L968-F975 HydrophobicContact CD2-CD2 4.06Å; L968-F975 HydrophobicContact CD2-CE1 3.37Å; L968-F975 HydrophobicContact CD2-CE2 3.73Å; L968-F975 HydrophobicContact CD2-CG 4.05Å; L968-F975 HydrophobicContact CD2-CZ 3.38Å; L968-F975 HydrophobicContact CG-CD1 4.29Å; L968-F975 HydrophobicContact CG-CE1 4.37Å; H971-F975 HydrophobicContact CB-CD2 4.09Å; H971-F975 HydrophobicContact CB-CE2 4.29Å; H971-F975 WeakPolarHBondContact O-CB 3.48Å; H971-F975 WeakPolarHBondContact O-CD2 3.48Å; H971-F975 PolarHBondContact O-N 3.46Å; I972-F975 PolarHBondContact O-N 3.37Å; F975-Q977 PolarHBondContact O-N 3.31Å; F975-D978 PolarHBondContact O-N 2.86Å; F975-D978 VanDerWaalsContact O-O 3.14Å; F975-G981 CarbonylContact O-C 2.97Å; F975-G981 VanDerWaalsContact O-CA 3.24Å; F975-G981 WeakPolarHBondContact O-CA 3.37Å; F975-S982 PolarHBondContact O-N 2.94Å; F975-I985 HydrophobicContact CB-CD1 3.63Å
976A98.5Very high97.1Very high0 Ų049.5 Ų49.50%023%0.229CC..Hα-helixtrans-63-24.5177.100000113.1I972 V973 E974 S982 I985 L1011 F1016 G1017 V1020I972-A976 VanDerWaalsContact O-CB 3.23Å; I972-A976 WeakPolarHBondContact O-CB 3.41Å; I972-A976 PolarHBondContact O-N 2.92Å; V973-A976 PolarHBondContact O-N 3.16Å; E974-A976 VanDerWaalsContact C-N 3.35Å; E974-A976 PolarHBondContact O-N 2.9Å; A976-S982 WeakPolarHBondContact O-CB 3.44Å; A976-I985 HydrophobicContact CB-CD1 4.22Å; A976-L1011 HydrophobicContact CB-CD2 3.9Å; A976-F1016 CarbonylContact O-C 3.52Å; A976-F1016 VanDerWaalsContact O-C 3.22Å; A976-F1016 WeakPolarHBondContact O-CB 3.39Å; A976-G1017 VanDerWaalsContact O-CA 3.25Å; A976-G1017 WeakPolarHBondContact O-CA 3.48Å; A976-G1017 PolarHBondContact O-N 3.34Å; A976-V1020 HydrophobicContact CB-CB 4.45Å; A976-V1020 HydrophobicContact CB-CG2 3.92Å
977Q98.1Very high97.2Very high92 Ų9248.7 Ų48.743%0.4323%0.226SC..THydrogen-bonded Turntrans-93.45173.9-62.4-170.8-80.300113.8V973 E974 F975 L1011 D1014 F1016V973-Q977 WeakPolarHBondContact O-CG 3.41Å; V973-Q977 PolarHBondContact O-N 3.14Å; V973-Q977 VanDerWaalsContact O-N 3.12Å; E974-Q977 CarbonylContact O-C 3.07Å; E974-Q977 PolarHBondContact O-N 3.5Å; F975-Q977 PolarHBondContact O-N 3.31Å; Q977-L1011 HydrophobicContact CG-CD2 3.7Å; Q977-D1014 PolarHBondContact NE2-OD1 2.84Å; Q977-F1016 WeakPolarHBondContact O-CD2 3.31Å
978D97.8Very high97.3Very high5 Ų548.5 Ų48.53%0.02722%0.221CC..SBendtrans-109.3142170-169.994000111.5R948 L952 R956 E974 F975 Y980 G981 S982R948-D978 IonicContact CZ-OD1 3.72Å; R948-D978 VanDerWaalsContact CZ-OD1 3.31Å; R948-D978 IonicContact NE-OD1 2.75Å; R948-D978 PolarHBondContact NE-OD1 2.91Å; R948-D978 IonicContact NH2-OD1 3.21Å; R948-D978 PolarHBondContact NH2-OD1 3.31Å; L952-D978 HydrophobicContact CD1-CB 3.91Å; L952-D978 HydrophobicContact CD2-CB 3.74Å; L952-D978 HydrophobicContact CG-CB 4.43Å; R956-D978 IonicContact CZ-OD1 2.88Å; R956-D978 IonicContact NE-OD1 3.58Å; R956-D978 VanDerWaalsContact NH1-CG 3.32Å; R956-D978 IonicContact NH1-OD1 2.85Å; R956-D978 PolarHBondContact NH1-OD1 2.83Å; R956-D978 IonicContact NH1-OD2 3.31Å; R956-D978 PolarHBondContact NH1-OD2 3.49Å; E974-D978 PolarHBondContact O-N 3.25Å; F975-D978 PolarHBondContact O-N 2.86Å; F975-D978 VanDerWaalsContact O-O 3.14Å; D978-Y980 PolarHBondContact O-N 3.11Å; D978-Y980 PolarHBondContact OD2-N 3.29Å; D978-G981 PolarHBondContact O-N 3.3Å; D978-S982 VanDerWaalsContact O-CB 3.25Å; D978-S982 WeakPolarHBondContact O-CB 3.49Å; D978-S982 PolarHBondContact O-N 2.92Å
979Q97.5Very high97.4Very high89 Ų8948.6 Ų48.642%0.41622%0.222SC..Hα-helixtrans-55.3-37.2-179.3-170-176.82400113.6R983 F1016Q979-R983 WeakPolarHBondContact O-CD 3.1Å; Q979-R983 VanDerWaalsContact O-CG 3.3Å; Q979-R983 WeakPolarHBondContact O-CG 2.99Å; Q979-F1016 HydrophobicContact CB-CD1 4.17Å; Q979-F1016 HydrophobicContact CB-CD2 4.37Å; Q979-F1016 HydrophobicContact CB-CE1 3.77Å; Q979-F1016 HydrophobicContact CB-CE2 3.98Å; Q979-F1016 HydrophobicContact CB-CG 4.46Å; Q979-F1016 HydrophobicContact CB-CZ 3.67Å; Q979-F1016 HydrophobicContact CG-CD1 4.28Å; Q979-F1016 HydrophobicContact CG-CE1 3.74Å; Q979-F1016 HydrophobicContact CG-CZ 4.03Å
980Y96.1Very high97.5Very high116 Ų11651.4 Ų51.446%0.45523%0.234SC..Hα-helixtrans-87.1-41.8-179.7-64.7-98.4000110.7R956 D978 S982 R983 F984R956-Y980 HydrophobicContact CG-CD2 4.39Å; R956-Y980 HydrophobicContact CG-CG 4.48Å; D978-Y980 PolarHBondContact O-N 3.11Å; D978-Y980 PolarHBondContact OD2-N 3.29Å; Y980-S982 PolarHBondContact O-N 2.92Å; Y980-R983 PolarHBondContact O-N 2.63Å; Y980-F984 WeakPolarHBondContact O-CB 3.28Å; Y980-F984 PolarHBondContact O-N 3.42Å
981G97.5Very high97.4Very high0 Ų053.2 Ų53.20%024%0.238CC..Hα-helixtrans-62.7-42179.400000112.8F975 D978 F984 I985F975-G981 CarbonylContact O-C 2.97Å; F975-G981 VanDerWaalsContact O-CA 3.24Å; F975-G981 WeakPolarHBondContact O-CA 3.37Å; D978-G981 PolarHBondContact O-N 3.3Å; G981-F984 WeakPolarHBondContact O-CB 3.34Å; G981-F984 PolarHBondContact O-N 3.46Å; G981-I985 WeakPolarHBondContact O-CG1 3.38Å; G981-I985 PolarHBondContact O-N 3.4Å
982S98.5Very high97.3Very high1 Ų151.1 Ų51.11%0.00723%0.231CC..Hα-helixtrans-64.6-45.7177.7177.50000111.1F975 A976 D978 Y980 F984 I985 Q986 F1016F975-S982 PolarHBondContact O-N 2.94Å; A976-S982 WeakPolarHBondContact O-CB 3.44Å; D978-S982 VanDerWaalsContact O-CB 3.25Å; D978-S982 WeakPolarHBondContact O-CB 3.49Å; D978-S982 PolarHBondContact O-N 2.92Å; Y980-S982 PolarHBondContact O-N 2.92Å; S982-F984 VanDerWaalsContact C-N 3.32Å; S982-F984 PolarHBondContact O-N 3.3Å; S982-I985 PolarHBondContact O-N 3.25Å; S982-Q986 WeakPolarHBondContact O-CG 3.35Å; S982-Q986 PolarHBondContact O-N 2.87Å; S982-Q986 PolarHBondContact O-NE2 3.12Å; S982-Q986 PolarHBondContact OG-NE2 2.82Å; S982-F1016 PolarHBondContact OG-O 3.44Å
983R97.6Very high97.2Very high155 Ų15553.7 Ų53.759%0.58525%0.249SC*.Hα-helixtrans-60.1-41.8176.2-75.1179.4176.4-78.41.5112Q979 Y980 Q986 Q987Q979-R983 WeakPolarHBondContact O-CD 3.1Å; Q979-R983 VanDerWaalsContact O-CG 3.3Å; Q979-R983 WeakPolarHBondContact O-CG 2.99Å; Y980-R983 PolarHBondContact O-N 2.63Å; R983-Q986 PolarHBondContact O-N 3.41Å; R983-Q987 WeakPolarHBondContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CG 3.49Å; R983-Q987 PolarHBondContact O-N 2.84Å
984F97.4Very high97Very high20 Ų2057.2 Ų57.29%0.08827%0.27CS..Hα-helixtrans-62.3-46.4174.7172.3-87.7000112.1F955 L963 L968 Y980 G981 S982 Q986 Q987 K988F955-F984 HydrophobicContact CE1-CB 4.11Å; F955-F984 HydrophobicContact CE1-CG 4.48Å; F955-F984 HydrophobicContact CE2-CB 4.49Å; F955-F984 AromaticContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CD2 3.67Å; F955-F984 HydrophobicContact CE2-CE2 4.11Å; F955-F984 HydrophobicContact CE2-CG 4.19Å; F955-F984 HydrophobicContact CZ-CB 3.67Å; F955-F984 AromaticContact CZ-CD2 3.69Å; F955-F984 HydrophobicContact CZ-CD2 3.69Å; F955-F984 AromaticContact CZ-CG 3.82Å; F955-F984 HydrophobicContact CZ-CG 3.82Å; L963-F984 HydrophobicContact CB-CE2 3.98Å; L963-F984 HydrophobicContact CB-CZ 3.75Å; L963-F984 HydrophobicContact CD2-CE1 4.47Å; L963-F984 HydrophobicContact CD2-CZ 4.15Å; L963-F984 HydrophobicContact CG-CE1 4.49Å; L963-F984 HydrophobicContact CG-CZ 3.92Å; L963-F984 VanDerWaalsContact O-CZ 3.3Å; L963-F984 WeakPolarHBondContact O-CZ 3.43Å; L968-F984 HydrophobicContact CD1-CD1 3.78Å; L968-F984 HydrophobicContact CD1-CE1 3.56Å; L968-F984 HydrophobicContact CG-CE1 4.13Å; Y980-F984 WeakPolarHBondContact O-CB 3.28Å; Y980-F984 PolarHBondContact O-N 3.42Å; G981-F984 WeakPolarHBondContact O-CB 3.34Å; G981-F984 PolarHBondContact O-N 3.46Å; S982-F984 VanDerWaalsContact C-N 3.32Å; S982-F984 PolarHBondContact O-N 3.3Å; F984-Q986 PolarHBondContact O-N 3.01Å; F984-Q987 PolarHBondContact O-N 3.14Å; F984-K988 HydrophobicContact CD1-CG 4.25Å; F984-K988 HydrophobicContact CD2-CG 4.37Å; F984-K988 HydrophobicContact CE1-CG 3.94Å; F984-K988 HydrophobicContact CE2-CD 4.39Å; F984-K988 HydrophobicContact CE2-CG 4.09Å; F984-K988 HydrophobicContact CG-CG 4.46Å; F984-K988 HydrophobicContact CZ-CD 4.31Å; F984-K988 VanDerWaalsContact CZ-CE 3.48Å; F984-K988 HydrophobicContact CZ-CG 3.87Å; F984-K988 WeakPolarHBondContact O-CB 3.38Å; F984-K988 VanDerWaalsContact O-CG 3.28Å; F984-K988 WeakPolarHBondContact O-CG 3.5Å; F984-K988 PolarHBondContact O-N 2.81Å
985I98.2Very high96.9Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-60.2-47.3176.6-70.9165.7000110.4L965 L968 I972 F975 A976 G981 S982 Q987 K988 L989 V1000 V1020L965-I985 HydrophobicContact CD2-CB 4.5Å; L965-I985 HydrophobicContact CD2-CG1 4.2Å; L965-I985 HydrophobicContact CD2-CG2 4.44Å; L968-I985 HydrophobicContact CD1-CD1 4.32Å; L968-I985 HydrophobicContact CD1-CG1 3.95Å; I972-I985 HydrophobicContact CD1-CD1 4.46Å; I972-I985 HydrophobicContact CG2-CD1 4.2Å; I972-I985 WeakPolarHBondContact O-CD1 3.03Å; F975-I985 HydrophobicContact CB-CD1 3.63Å; A976-I985 HydrophobicContact CB-CD1 4.22Å; G981-I985 WeakPolarHBondContact O-CG1 3.38Å; G981-I985 PolarHBondContact O-N 3.4Å; S982-I985 PolarHBondContact O-N 3.25Å; I985-Q987 PolarHBondContact O-N 3.01Å; I985-K988 PolarHBondContact O-N 3.45Å; I985-L989 HydrophobicContact CG2-CD1 3.67Å; I985-L989 HydrophobicContact CG2-CG 4.13Å; I985-L989 WeakPolarHBondContact O-CB 3.46Å; I985-L989 VanDerWaalsContact O-CG 3.24Å; I985-L989 WeakPolarHBondContact O-CG 3.44Å; I985-L989 PolarHBondContact O-N 3.05Å; I985-V1000 HydrophobicContact CG2-CG1 4.42Å; I985-V1020 HydrophobicContact CB-CG2 4.37Å; I985-V1020 HydrophobicContact CG2-CG1 3.8Å; I985-V1020 HydrophobicContact CG2-CG2 4.04Å
986Q98.3Very high96.8Very high34 Ų3462.2 Ų62.216%0.15930%0.303CS..Hα-helixtrans-56-50.3177.7-67.9164.854.800111.9S982 R983 F984 L989 Y1019 V1020 K1023S982-Q986 WeakPolarHBondContact O-CG 3.35Å; S982-Q986 PolarHBondContact O-N 2.87Å; S982-Q986 PolarHBondContact O-NE2 3.12Å; S982-Q986 PolarHBondContact OG-NE2 2.82Å; R983-Q986 PolarHBondContact O-N 3.41Å; F984-Q986 PolarHBondContact O-N 3.01Å; Q986-L989 PolarHBondContact O-N 3.15Å; Q986-Y1019 VanDerWaalsContact CD-CB 3.48Å; Q986-Y1019 VanDerWaalsContact NE2-CB 3.29Å; Q986-V1020 HydrophobicContact CG-CG2 4.47Å; Q986-K1023 HydrophobicContact CB-CG 4.14Å; Q986-K1023 HydrophobicContact CG-CG 4Å
987Q96.9Very high96.7Very high109 Ų10963.8 Ų63.851%0.50931%0.31SS..Hα-helixtrans-63.5-41179-73.8175.3-30.400112.5R983 F984 I985R983-Q987 WeakPolarHBondContact O-CB 3.31Å; R983-Q987 WeakPolarHBondContact O-CG 3.49Å; R983-Q987 PolarHBondContact O-N 2.84Å; F984-Q987 PolarHBondContact O-N 3.14Å; I985-Q987 PolarHBondContact O-N 3.01Å
988K96.5Very high96.7Very high75 Ų7562.5 Ų62.533%0.32631%0.308SS..Hα-helixtrans-70.7-35.5178.7-67.8-70-169.6170.20112.1L963 L965 F984 I985 E990 Q991 A992L963-K988 WeakPolarHBondContact O-CE 3.49Å; L963-K988 PolarHBondContact O-NZ 3.03Å; L965-K988 HydrophobicContact CD1-CB 3.83Å; L965-K988 HydrophobicContact CD2-CB 3.8Å; L965-K988 HydrophobicContact CD2-CG 4.48Å; L965-K988 HydrophobicContact CG-CB 3.63Å; L965-K988 HydrophobicContact CG-CG 4.37Å; F984-K988 HydrophobicContact CD1-CG 4.25Å; F984-K988 HydrophobicContact CD2-CG 4.37Å; F984-K988 HydrophobicContact CE1-CG 3.94Å; F984-K988 HydrophobicContact CE2-CD 4.39Å; F984-K988 HydrophobicContact CE2-CG 4.09Å; F984-K988 HydrophobicContact CG-CG 4.46Å; F984-K988 HydrophobicContact CZ-CD 4.31Å; F984-K988 VanDerWaalsContact CZ-CE 3.48Å; F984-K988 HydrophobicContact CZ-CG 3.87Å; F984-K988 WeakPolarHBondContact O-CB 3.38Å; F984-K988 VanDerWaalsContact O-CG 3.28Å; F984-K988 WeakPolarHBondContact O-CG 3.5Å; F984-K988 PolarHBondContact O-N 2.81Å; I985-K988 PolarHBondContact O-N 3.45Å; K988-E990 PolarHBondContact O-N 3.42Å; K988-Q991 CarbonylContact O-C 3.22Å; K988-Q991 PolarHBondContact O-N 3.26Å; K988-Q991 VanDerWaalsContact O-N 3.09Å; K988-A992 VanDerWaalsContact O-CB 3.27Å; K988-A992 WeakPolarHBondContact O-CB 3.19Å; K988-A992 PolarHBondContact O-N 3.08Å
989L97.4Very high96.6Very high2 Ų264.2 Ų64.21%0.0132%0.32CS..Hα-helixtrans-61.6-24178.8-77.8171.1000113.6L965 I985 Q986 Q991 K997 V1000 V1020 K1023 F1024L965-L989 HydrophobicContact CD1-CD2 4.22Å; I985-L989 HydrophobicContact CG2-CD1 3.67Å; I985-L989 HydrophobicContact CG2-CG 4.13Å; I985-L989 WeakPolarHBondContact O-CB 3.46Å; I985-L989 VanDerWaalsContact O-CG 3.24Å; I985-L989 WeakPolarHBondContact O-CG 3.44Å; I985-L989 PolarHBondContact O-N 3.05Å; Q986-L989 PolarHBondContact O-N 3.15Å; L989-Q991 VanDerWaalsContact C-N 3.33Å; L989-K997 HydrophobicContact CD2-CG 3.93Å; L989-K997 WeakPolarHBondContact O-CE 3.25Å; L989-K997 PolarHBondContact O-NZ 3.3Å; L989-V1000 HydrophobicContact CD2-CG1 4.37Å; L989-V1020 HydrophobicContact CD1-CG1 4.4Å; L989-K1023 HydrophobicContact CD1-CB 4.17Å; L989-F1024 HydrophobicContact CD1-CD2 4.14Å; L989-F1024 HydrophobicContact CD1-CE2 3.66Å; L989-F1024 HydrophobicContact CD1-CZ 4.21Å; L989-F1024 HydrophobicContact CD2-CE1 4.33Å; L989-F1024 HydrophobicContact CD2-CE2 3.96Å; L989-F1024 HydrophobicContact CD2-CZ 3.63Å
990E96.2Very high96.6Very high108 Ų10860 Ų6051%0.50530%0.301SS..Hα-helixtrans-68-31.5174.9-71.1169.4176.800112.7K988 K1023 L1027K988-E990 PolarHBondContact O-N 3.42Å; E990-K1023 WeakPolarHBondContact OE1-CE 3.43Å; E990-K1023 IonicContact OE1-NZ 2.68Å; E990-K1023 PolarHBondContact OE1-NZ 3.2Å; E990-L1027 HydrophobicContact CB-CD1 4.43Å; E990-L1027 HydrophobicContact CG-CD1 3.66Å
991Q94.1Very high96.8Very high179 Ų17955 Ų5584%0.83628%0.281SS*.Hα-helixtrans-112.20.2-177.5-59.5176.8800113K988 L989K988-Q991 CarbonylContact O-C 3.22Å; K988-Q991 PolarHBondContact O-N 3.26Å; K988-Q991 VanDerWaalsContact O-N 3.09Å; L989-Q991 VanDerWaalsContact C-N 3.33Å
992A94.4Very high96.8Very high18 Ų1864.9 Ų64.915%0.14932%0.319CS..  trans-71.5142.7-176.200000113L965 K988 D996 K997L965-A992 HydrophobicContact CD1-CB 3.66Å; K988-A992 VanDerWaalsContact O-CB 3.27Å; K988-A992 WeakPolarHBondContact O-CB 3.19Å; K988-A992 PolarHBondContact O-N 3.08Å; A992-D996 HydrophobicContact CB-CB 4.03Å; A992-K997 HydrophobicContact CB-CG 3.86Å; A992-K997 WeakPolarHBondContact O-CE 3.31Å
993S95.3Very high96.7Very high53 Ų5366.6 Ų66.637%0.37133%0.326SS..  trans-65.9162.5170.878.80000111.3V995 D996 K997S993-V995 PolarHBondContact O-N 2.79Å; S993-V995 PolarHBondContact OG-N 2.93Å; S993-D996 VanDerWaalsContact CB-OD2 3.25Å; S993-D996 WeakPolarHBondContact CB-OD2 3.47Å; S993-D996 PolarHBondContact N-OD2 2.87Å; S993-D996 VanDerWaalsContact N-OD2 3.15Å; S993-D996 PolarHBondContact O-N 3.18Å; S993-D996 VanDerWaalsContact OG-CG 3.27Å; S993-D996 PolarHBondContact OG-N 2.87Å; S993-D996 VanDerWaalsContact OG-N 3.12Å; S993-D996 PolarHBondContact OG-OD2 3.5Å; S993-K997 WeakPolarHBondContact O-CB 3.31Å; S993-K997 WeakPolarHBondContact O-CG 3.43Å; S993-K997 PolarHBondContact O-N 3.17Å
994V95.4Very high96.8Very high94 Ų9459.2 Ų59.257%0.5730%0.298SS*.Hα-helixtrans-59.3-30.3173.9-177.40000111.3T998 T1029V994-T998 VanDerWaalsContact O-CB 3.26Å; V994-T998 WeakPolarHBondContact O-CB 3.44Å; V994-T998 PolarHBondContact O-N 2.7Å; V994-T998 PolarHBondContact O-OG1 3.21Å; V994-T1029 HydrophobicContact CG1-CG2 4.08Å
995V95.6Very high96.8Very high106 Ų10659.7 Ų59.764%0.64230%0.302SS*.Hα-helixtrans-70.7-44.7177.4-176.60000111.1S993 T998 S999S993-V995 PolarHBondContact O-N 2.79Å; S993-V995 PolarHBondContact OG-N 2.93Å; V995-T998 PolarHBondContact O-N 3.05Å; V995-S999 WeakPolarHBondContact O-CB 3.48Å; V995-S999 PolarHBondContact O-N 3.09Å; V995-S999 PolarHBondContact O-OG 2.77Å
996D95.6Very high96.8Very high51 Ų5164 Ų6427%0.27333%0.33SS..Hα-helixtrans-63-50.1175.5-59.5-61000110.6L965 A992 S993 T998 S999 V1000L965-D996 HydrophobicContact CD1-CB 4.3Å; A992-D996 HydrophobicContact CB-CB 4.03Å; S993-D996 VanDerWaalsContact CB-OD2 3.25Å; S993-D996 WeakPolarHBondContact CB-OD2 3.47Å; S993-D996 PolarHBondContact N-OD2 2.87Å; S993-D996 VanDerWaalsContact N-OD2 3.15Å; S993-D996 PolarHBondContact O-N 3.18Å; S993-D996 VanDerWaalsContact OG-CG 3.27Å; S993-D996 PolarHBondContact OG-N 2.87Å; S993-D996 VanDerWaalsContact OG-N 3.12Å; S993-D996 PolarHBondContact OG-OD2 3.5Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.97Å; D996-S999 WeakPolarHBondContact O-CB 3.33Å; D996-S999 PolarHBondContact O-N 3.2Å; D996-S999 VanDerWaalsContact O-N 3.08Å; D996-V1000 WeakPolarHBondContact O-CG2 3.44Å; D996-V1000 PolarHBondContact O-N 3.14Å
997K96.8Very high96.7Very high33 Ų3366.2 Ų66.214%0.14334%0.34CS..Hα-helixtrans-53.2-45.6175.5-72.8-179.9175.2-173.90111.5L989 A992 S993 F1001 F1024 L1027L989-K997 HydrophobicContact CD2-CG 3.93Å; L989-K997 WeakPolarHBondContact O-CE 3.25Å; L989-K997 PolarHBondContact O-NZ 3.3Å; A992-K997 HydrophobicContact CB-CG 3.86Å; A992-K997 WeakPolarHBondContact O-CE 3.31Å; S993-K997 WeakPolarHBondContact O-CB 3.31Å; S993-K997 WeakPolarHBondContact O-CG 3.43Å; S993-K997 PolarHBondContact O-N 3.17Å; K997-F1001 WeakPolarHBondContact O-CB 3.35Å; K997-F1001 PolarHBondContact O-N 3.45Å; K997-F1024 HydrophobicContact CB-CE1 4.27Å; K997-F1024 WeakPolarHBondContact O-CE1 3.48Å; K997-F1024 WeakPolarHBondContact O-CZ 3.21Å; K997-L1027 PolarHBondContact NZ-O 2.59Å
998T97.2Very high96.8Very high65 Ų6561 Ų6140%0.39932%0.316SS..Hα-helixtrans-67.5-35.4179.6-58.50000112.4V994 V995 D996 F1001 R1002 Q1032V994-T998 VanDerWaalsContact O-CB 3.26Å; V994-T998 WeakPolarHBondContact O-CB 3.44Å; V994-T998 PolarHBondContact O-N 2.7Å; V994-T998 PolarHBondContact O-OG1 3.21Å; V995-T998 PolarHBondContact O-N 3.05Å; D996-T998 VanDerWaalsContact C-N 3.28Å; D996-T998 PolarHBondContact O-N 2.97Å; T998-F1001 PolarHBondContact O-N 2.74Å; T998-R1002 WeakPolarHBondContact O-CB 3.47Å; T998-R1002 PolarHBondContact O-N 3.19Å; T998-Q1032 PolarHBondContact OG1-NE2 3.44Å
999S96.7Very high96.9Very high41 Ų4161.2 Ų61.229%0.28732%0.315SS..Hα-helixtrans-67.2-48.4176.9-55.40000111.1V995 D996 F1001 R1002 E1003V995-S999 WeakPolarHBondContact O-CB 3.48Å; V995-S999 PolarHBondContact O-N 3.09Å; V995-S999 PolarHBondContact O-OG 2.77Å; D996-S999 WeakPolarHBondContact O-CB 3.33Å; D996-S999 PolarHBondContact O-N 3.2Å; D996-S999 VanDerWaalsContact O-N 3.08Å; S999-F1001 PolarHBondContact O-N 3.35Å; S999-R1002 PolarHBondContact O-N 3.14Å; S999-E1003 PolarHBondContact O-N 3.39Å
1000V98Very high96.9Very high0 Ų065.6 Ų65.60%034%0.338CS..Hα-helixtrans-59.1-45.3172.9175.20000111.1L965 M969 I972 I985 L989 D996 R1002 E1003 I1004 F1024L965-V1000 HydrophobicContact CB-CG2 4.01Å; L965-V1000 HydrophobicContact CD1-CG2 4.1Å; L965-V1000 HydrophobicContact CD2-CG2 4.05Å; L965-V1000 HydrophobicContact CG-CG2 4.26Å; M969-V1000 HydrophobicContact CE-CG2 4.17Å; I972-V1000 HydrophobicContact CD1-CG1 4.33Å; I972-V1000 HydrophobicContact CD1-CG2 3.81Å; I972-V1000 HydrophobicContact CG1-CG2 4.43Å; I972-V1000 HydrophobicContact CG2-CG1 3.75Å; I985-V1000 HydrophobicContact CG2-CG1 4.42Å; L989-V1000 HydrophobicContact CD2-CG1 4.37Å; D996-V1000 WeakPolarHBondContact O-CG2 3.44Å; D996-V1000 PolarHBondContact O-N 3.14Å; V1000-R1002 VanDerWaalsContact C-N 3.34Å; V1000-R1002 PolarHBondContact O-N 2.9Å; V1000-E1003 PolarHBondContact O-N 3.23Å; V1000-I1004 PolarHBondContact O-N 3.4Å; V1000-F1024 HydrophobicContact CB-CZ 4.04Å; V1000-F1024 HydrophobicContact CG1-CE2 3.74Å; V1000-F1024 HydrophobicContact CG1-CZ 3.77Å
1001F98.2Very high97Very high11 Ų1160.5 Ų60.55%0.04831%0.314CS..Hα-helixtrans-58.6-43.5179.5-171.2-103000112.5K997 T998 S999 E1003 I1004 L1005 F1024 Q1032 I1035 L1036K997-F1001 WeakPolarHBondContact O-CB 3.35Å; K997-F1001 PolarHBondContact O-N 3.45Å; T998-F1001 PolarHBondContact O-N 2.74Å; S999-F1001 PolarHBondContact O-N 3.35Å; F1001-E1003 PolarHBondContact O-N 3.32Å; F1001-I1004 WeakPolarHBondContact O-CG1 3.24Å; F1001-I1004 PolarHBondContact O-N 3.27Å; F1001-L1005 HydrophobicContact CE1-CD1 4.48Å; F1001-L1005 HydrophobicContact CE1-CD2 3.98Å; F1001-L1005 HydrophobicContact CZ-CD1 4.36Å; F1001-L1005 WeakPolarHBondContact O-CB 3.01Å; F1001-L1005 PolarHBondContact O-N 2.68Å; F1001-F1024 HydrophobicContact CB-CD1 4.41Å; F1001-F1024 HydrophobicContact CB-CE1 3.76Å; F1001-F1024 HydrophobicContact CB-CZ 3.99Å; F1001-F1024 AromaticContact CD2-CD1 3.55Å; F1001-F1024 HydrophobicContact CD2-CD1 3.55Å; F1001-F1024 AromaticContact CD2-CE1 3.78Å; F1001-F1024 HydrophobicContact CD2-CE1 3.78Å; F1001-F1024 AromaticContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CZ 4.36Å; F1001-F1024 HydrophobicContact CE2-CD1 4.27Å; F1001-F1024 HydrophobicContact CE2-CG 4.49Å; F1001-F1024 HydrophobicContact CG-CD1 4.41Å; F1001-F1024 HydrophobicContact CG-CE1 4.23Å; F1001-Q1032 HydrophobicContact CD1-CG 3.84Å; F1001-Q1032 HydrophobicContact CD2-CB 4.08Å; F1001-Q1032 HydrophobicContact CD2-CG 4.02Å; F1001-Q1032 HydrophobicContact CE1-CB 4.19Å; F1001-Q1032 HydrophobicContact CE1-CG 3.88Å; F1001-Q1032 HydrophobicContact CE2-CB 3.71Å; F1001-Q1032 HydrophobicContact CE2-CG 4.04Å; F1001-Q1032 HydrophobicContact CG-CB 4.46Å; F1001-Q1032 HydrophobicContact CG-CG 3.9Å; F1001-Q1032 HydrophobicContact CZ-CB 3.77Å; F1001-Q1032 HydrophobicContact CZ-CG 3.98Å; F1001-Q1032 WeakPolarHBondContact CZ-O 3.24Å; F1001-I1035 HydrophobicContact CE1-CB 4.32Å; F1001-I1035 HydrophobicContact CE1-CD1 4.32Å; F1001-I1035 HydrophobicContact CE1-CG2 3.99Å; F1001-I1035 HydrophobicContact CZ-CB 4.08Å; F1001-I1035 HydrophobicContact CZ-CG2 3.89Å; F1001-L1036 HydrophobicContact CE2-CD1 3.89Å; F1001-L1036 HydrophobicContact CE2-CD2 4.11Å; F1001-L1036 HydrophobicContact CE2-CG 3.7Å; F1001-L1036 HydrophobicContact CZ-CD2 4.44Å; F1001-L1036 HydrophobicContact CZ-CG 4.03Å
1002R97.8Very high97.2Very high208 Ų20852 Ų5279%0.78528%0.275SS*.Hα-helixtrans-60.7-33179.8-176.6176.4178.2169.30112.8T998 S999 V1000 P1006T998-R1002 WeakPolarHBondContact O-CB 3.47Å; T998-R1002 PolarHBondContact O-N 3.19Å; S999-R1002 PolarHBondContact O-N 3.14Å; V1000-R1002 VanDerWaalsContact C-N 3.34Å; V1000-R1002 PolarHBondContact O-N 2.9Å; R1002-P1006 WeakPolarHBondContact O-CD 3.21Å
1003E98.1Very high97.4Very high36 Ų3653.7 Ų53.717%0.16828%0.281CS..Hα-helixtrans-82.7-37.6-178.8-156.2-175.2128.500113N970 H971 I972 V973 S999 V1000 F1001 P1006 H1007N970-E1003 WeakPolarHBondContact CA-OE1 3.09Å; N970-E1003 WeakPolarHBondContact CA-OE2 3.39Å; N970-E1003 PolarHBondContact N-OE2 2.7Å; H971-E1003 PolarHBondContact N-OE1 3.48Å; H971-E1003 VanDerWaalsContact N-OE1 3.15Å; I972-E1003 HydrophobicContact CB-CB 4.27Å; I972-E1003 HydrophobicContact CB-CG 4.35Å; I972-E1003 WeakPolarHBondContact CB-OE1 3.36Å; I972-E1003 WeakPolarHBondContact CG1-OE2 3.38Å; I972-E1003 PolarHBondContact N-OE1 3.21Å; V973-E1003 HydrophobicContact CG2-CG 4.19Å; V973-E1003 WeakPolarHBondContact CG2-O 3.24Å; S999-E1003 PolarHBondContact O-N 3.39Å; V1000-E1003 PolarHBondContact O-N 3.23Å; F1001-E1003 PolarHBondContact O-N 3.32Å; E1003-P1006 WeakPolarHBondContact O-CD 3.32Å; E1003-H1007 PolarHBondContact O-ND1 3Å
1004I98.1Very high97.6Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-76.9-27.9176.465.9178.8000113.2I972 V1000 F1001 H1007 A1008 L1011 V1020 I1021 F1024I972-I1004 HydrophobicContact CG2-CG2 3.47Å; I972-I1004 VanDerWaalsContact CG2-CG2 3.47Å; V1000-I1004 PolarHBondContact O-N 3.4Å; F1001-I1004 WeakPolarHBondContact O-CG1 3.24Å; F1001-I1004 PolarHBondContact O-N 3.27Å; I1004-H1007 CarbonylContact O-C 3.54Å; I1004-H1007 WeakPolarHBondContact O-CA 3.19Å; I1004-H1007 PolarHBondContact O-N 2.98Å; I1004-A1008 PolarHBondContact O-N 3.33Å; I1004-L1011 HydrophobicContact CB-CD1 3.67Å; I1004-L1011 HydrophobicContact CG2-CD1 3.84Å; I1004-V1020 HydrophobicContact CD1-CG1 4.19Å; I1004-I1021 HydrophobicContact CD1-CD1 4.18Å; I1004-F1024 HydrophobicContact CD1-CD2 3.43Å; I1004-F1024 VanDerWaalsContact CD1-CD2 3.43Å; I1004-F1024 HydrophobicContact CD1-CE2 3.44Å; I1004-F1024 VanDerWaalsContact CD1-CE2 3.44Å; I1004-F1024 HydrophobicContact CD1-CG 4.32Å; I1004-F1024 HydrophobicContact CD1-CZ 4.34Å
1005L98Very high97.7Very high31 Ų3150.8 Ų50.816%0.16226%0.26CS..G310 helixtrans-58.8-40.7-172177.762.7000114.5F1001 H1007 A1008 I1035 R1039F1001-L1005 HydrophobicContact CE1-CD1 4.48Å; F1001-L1005 HydrophobicContact CE1-CD2 3.98Å; F1001-L1005 HydrophobicContact CZ-CD1 4.36Å; F1001-L1005 WeakPolarHBondContact O-CB 3.01Å; F1001-L1005 PolarHBondContact O-N 2.68Å; L1005-H1007 PolarHBondContact O-N 2.67Å; L1005-A1008 PolarHBondContact O-N 3.09Å; L1005-I1035 HydrophobicContact CD1-CG2 3.57Å; L1005-I1035 HydrophobicContact CD2-CG2 3.73Å; L1005-I1035 HydrophobicContact CG-CG2 4.32Å; L1005-R1039 HydrophobicContact CD1-CG 4.03Å; L1005-R1039 PolarHBondContact O-NH1 3.11Å
1006P97.4Very high97.8Very high89 Ų8948.5 Ų48.558%0.57824%0.241SC*.G310 helixtrans-60.2-31.7171.5-23.834.7000113.2R1002 E1003R1002-P1006 WeakPolarHBondContact O-CD 3.21Å; E1003-P1006 WeakPolarHBondContact O-CD 3.32Å
1007H97.8Very high98Very high82 Ų8246.1 Ų46.138%0.3823%0.228SC..G310 helixtrans-993.7-173.6-52.6100.3000113.5V973 E1003 I1004 L1005 Y1009 N1010 L1011V973-H1007 HydrophobicContact CG1-CB 4.05Å; V973-H1007 HydrophobicContact CG2-CB 4.41Å; V973-H1007 WeakPolarHBondContact CG2-ND1 3.23Å; E1003-H1007 PolarHBondContact O-ND1 3Å; I1004-H1007 CarbonylContact O-C 3.54Å; I1004-H1007 WeakPolarHBondContact O-CA 3.19Å; I1004-H1007 PolarHBondContact O-N 2.98Å; L1005-H1007 PolarHBondContact O-N 2.67Å; H1007-Y1009 PolarHBondContact O-N 3.46Å; H1007-N1010 WeakPolarHBondContact O-CB 3.48Å; H1007-N1010 PolarHBondContact O-N 3.04Å; H1007-L1011 HydrophobicContact CB-CD1 4.25Å; H1007-L1011 HydrophobicContact CB-CG 4.5Å; H1007-L1011 PolarHBondContact O-N 2.87Å; H1007-L1011 VanDerWaalsContact O-N 3.09Å
1008A98.2Very high98Very high0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-54.8-45.2-165.100000113.6I1004 L1005 N1010 L1011 M1012 I1021 L1036I1004-A1008 PolarHBondContact O-N 3.33Å; L1005-A1008 PolarHBondContact O-N 3.09Å; A1008-N1010 PolarHBondContact O-N 3.19Å; A1008-L1011 PolarHBondContact O-N 2.95Å; A1008-M1012 HydrophobicContact CB-CE 4.27Å; A1008-M1012 WeakPolarHBondContact O-CG 3.5Å; A1008-M1012 PolarHBondContact O-N 3.29Å; A1008-I1021 HydrophobicContact CB-CD1 4.27Å; A1008-L1036 HydrophobicContact CB-CD2 4.22Å
1009Y97.9Very high98.1Very high79 Ų7946.7 Ų46.731%0.3122%0.223SC..Hα-helixtrans-60.7-43.4178.8-177.7-91.5000112.4H1007 L1011 M1012 I1013 Q1043 S1046 L1047H1007-Y1009 PolarHBondContact O-N 3.46Å; Y1009-L1011 VanDerWaalsContact C-N 3.32Å; Y1009-L1011 PolarHBondContact O-N 3.39Å; Y1009-M1012 WeakPolarHBondContact O-CB 3.27Å; Y1009-M1012 PolarHBondContact O-N 3.46Å; Y1009-I1013 HydrophobicContact CD1-CD1 4.43Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.96Å; Y1009-I1013 PolarHBondContact O-N 2.62Å; Y1009-Q1043 HydrophobicContact CD2-CG 4.45Å; Y1009-Q1043 HydrophobicContact CE2-CB 4.16Å; Y1009-Q1043 HydrophobicContact CE2-CG 4.11Å; Y1009-S1046 PolarHBondContact OH-OG 3.39Å; Y1009-L1047 HydrophobicContact CD2-CD2 4.22Å; Y1009-L1047 HydrophobicContact CE2-CD1 4.49Å; Y1009-L1047 HydrophobicContact CE2-CD2 3.83Å; Y1009-L1047 HydrophobicContact CE2-CG 4.13Å
1010N98Very high98.2Very high93 Ų9344.8 Ų44.850%0.49721%0.21SC..Hα-helixtrans-63.4-41.8177.9-64.4-2.6000110.6H1007 A1008 I1013 D1014H1007-N1010 WeakPolarHBondContact O-CB 3.48Å; H1007-N1010 PolarHBondContact O-N 3.04Å; A1008-N1010 PolarHBondContact O-N 3.19Å; N1010-I1013 WeakPolarHBondContact O-CG1 3.44Å; N1010-I1013 PolarHBondContact O-N 2.67Å; N1010-D1014 WeakPolarHBondContact O-CB 3.39Å; N1010-D1014 PolarHBondContact O-N 2.97Å; N1010-D1014 VanDerWaalsContact O-N 3.11Å
1011L98.6Very high98.2Very high1 Ų144.8 Ų44.81%0.00521%0.21CC..Hα-helixtrans-66.3-34.7175.8-66.3170000112.2A976 Q977 I1004 H1007 A1008 Y1009 I1013 D1014 G1017 N1018 I1021A976-L1011 HydrophobicContact CB-CD2 3.9Å; Q977-L1011 HydrophobicContact CG-CD2 3.7Å; I1004-L1011 HydrophobicContact CB-CD1 3.67Å; I1004-L1011 HydrophobicContact CG2-CD1 3.84Å; H1007-L1011 HydrophobicContact CB-CD1 4.25Å; H1007-L1011 HydrophobicContact CB-CG 4.5Å; H1007-L1011 PolarHBondContact O-N 2.87Å; H1007-L1011 VanDerWaalsContact O-N 3.09Å; A1008-L1011 PolarHBondContact O-N 2.95Å; Y1009-L1011 VanDerWaalsContact C-N 3.32Å; Y1009-L1011 PolarHBondContact O-N 3.39Å; L1011-I1013 VanDerWaalsContact C-N 3.26Å; L1011-I1013 PolarHBondContact O-N 2.92Å; L1011-D1014 PolarHBondContact O-N 3.09Å; L1011-G1017 CarbonylContact O-C 3.58Å; L1011-N1018 VanDerWaalsContact O-CA 3.23Å; L1011-N1018 WeakPolarHBondContact O-CA 3.4Å; L1011-N1018 PolarHBondContact O-N 3.22Å; L1011-I1021 HydrophobicContact CB-CD1 4.01Å; L1011-I1021 HydrophobicContact CB-CG1 3.84Å; L1011-I1021 HydrophobicContact CD1-CD1 4.32Å
1012M98.6Very high98.2Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-61.8-32.5176.3-69.7164.1177.500113.1A1008 Y1009 I1021 L1036 I1040 L1047 Y1052 G1053 V1056A1008-M1012 HydrophobicContact CB-CE 4.27Å; A1008-M1012 WeakPolarHBondContact O-CG 3.5Å; A1008-M1012 PolarHBondContact O-N 3.29Å; Y1009-M1012 WeakPolarHBondContact O-CB 3.27Å; Y1009-M1012 PolarHBondContact O-N 3.46Å; M1012-I1021 HydrophobicContact CE-CG2 3.79Å; M1012-I1021 HydrophobicContact CG-CB 4.37Å; M1012-I1021 HydrophobicContact CG-CG1 4.11Å; M1012-I1021 HydrophobicContact CG-CG2 3.9Å; M1012-L1036 HydrophobicContact CE-CD2 4.26Å; M1012-I1040 HydrophobicContact CE-CG2 3.49Å; M1012-I1040 VanDerWaalsContact CE-CG2 3.49Å; M1012-I1040 HydrophobicContact SD-CG2 3.61Å; M1012-L1047 HydrophobicContact CB-CD2 4.04Å; M1012-L1047 HydrophobicContact SD-CD1 4.12Å; M1012-Y1052 CarbonylContact O-C 3.35Å; M1012-G1053 WeakPolarHBondContact O-CA 3.45Å; M1012-G1053 PolarHBondContact O-N 3.45Å; M1012-V1056 HydrophobicContact CB-CG2 4.14Å; M1012-V1056 HydrophobicContact CE-CG1 4.47Å; M1012-V1056 HydrophobicContact CG-CB 4.45Å; M1012-V1056 HydrophobicContact CG-CG1 4.06Å; M1012-V1056 HydrophobicContact CG-CG2 4.15Å
1013I98.2Very high98.3Very high55 Ų5537.7 Ų37.728%0.28219%0.185SC..THydrogen-bonded Turntrans-100.16.217867.1173.3000113.4Y1009 N1010 L1011 L1047 Q1050 Y1052Y1009-I1013 HydrophobicContact CD1-CD1 4.43Å; Y1009-I1013 HydrophobicContact CE1-CD1 3.96Å; Y1009-I1013 PolarHBondContact O-N 2.62Å; N1010-I1013 WeakPolarHBondContact O-CG1 3.44Å; N1010-I1013 PolarHBondContact O-N 2.67Å; L1011-I1013 VanDerWaalsContact C-N 3.26Å; L1011-I1013 PolarHBondContact O-N 2.92Å; I1013-L1047 HydrophobicContact CG2-CD2 3.7Å; I1013-Q1050 HydrophobicContact CB-CG 4.36Å; I1013-Q1050 HydrophobicContact CG2-CG 3.95Å; I1013-Q1050 PolarHBondContact O-NE2 2.97Å; I1013-Y1052 VanDerWaalsContact O-CD2 3.31Å; I1013-Y1052 WeakPolarHBondContact O-CD2 3.36Å
1014D98.6Very high98.3Very high29 Ų2936.1 Ų36.116%0.15518%0.178CC..SBendtrans-89.3142.2177.7-173.899.2000111.3Q977 N1010 L1011 F1016 G1017 N1018Q977-D1014 PolarHBondContact NE2-OD1 2.84Å; N1010-D1014 WeakPolarHBondContact O-CB 3.39Å; N1010-D1014 PolarHBondContact O-N 2.97Å; N1010-D1014 VanDerWaalsContact O-N 3.11Å; L1011-D1014 PolarHBondContact O-N 3.09Å; D1014-F1016 PolarHBondContact O-N 3.33Å; D1014-F1016 PolarHBondContact OD2-N 3.1Å; D1014-G1017 PolarHBondContact OD2-N 2.94Å; D1014-N1018 WeakPolarHBondContact O-CB 3.48Å; D1014-N1018 PolarHBondContact O-N 3.46Å; D1014-N1018 PolarHBondContact O-ND2 3.15Å
1015V97.9Very high98.3Very high56 Ų5636.1 Ų36.134%0.33918%0.178SC..THydrogen-bonded Turntrans-62.5-25.4-177.461.40000113.8N1018 Y1019 Y1052V1015-N1018 PolarHBondContact O-ND2 3.26Å; V1015-Y1019 WeakPolarHBondContact O-CE2 3.49Å; V1015-Y1052 HydrophobicContact CB-CE1 4.15Å; V1015-Y1052 HydrophobicContact CB-CE2 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE1 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE2 4.49Å; V1015-Y1052 WeakPolarHBondContact CG2-OH 3.47Å
1016F98.4Very high98.3Very high59 Ų5937.6 Ų37.626%0.25918%0.184SC..THydrogen-bonded Turntrans-115.7-31.6176.7-52.1-53.4000112.8A976 Q977 Q979 S982 D1014 N1018A976-F1016 CarbonylContact O-C 3.52Å; A976-F1016 VanDerWaalsContact O-C 3.22Å; A976-F1016 WeakPolarHBondContact O-CB 3.39Å; Q977-F1016 WeakPolarHBondContact O-CD2 3.31Å; Q979-F1016 HydrophobicContact CB-CD1 4.17Å; Q979-F1016 HydrophobicContact CB-CD2 4.37Å; Q979-F1016 HydrophobicContact CB-CE1 3.77Å; Q979-F1016 HydrophobicContact CB-CE2 3.98Å; Q979-F1016 HydrophobicContact CB-CG 4.46Å; Q979-F1016 HydrophobicContact CB-CZ 3.67Å; Q979-F1016 HydrophobicContact CG-CD1 4.28Å; Q979-F1016 HydrophobicContact CG-CE1 3.74Å; Q979-F1016 HydrophobicContact CG-CZ 4.03Å; S982-F1016 PolarHBondContact OG-O 3.44Å; D1014-F1016 PolarHBondContact O-N 3.33Å; D1014-F1016 PolarHBondContact OD2-N 3.1Å; F1016-N1018 VanDerWaalsContact C-N 3.31Å; F1016-N1018 PolarHBondContact O-N 3.01Å
1017G98.5Very high98.2Very high0 Ų035.9 Ų35.90%017%0.17CC..Hα-helixtrans-65.8-30.6-178.900000113.7A976 L1011 D1014 Y1019 V1020 I1021A976-G1017 VanDerWaalsContact O-CA 3.25Å; A976-G1017 WeakPolarHBondContact O-CA 3.48Å; A976-G1017 PolarHBondContact O-N 3.34Å; L1011-G1017 CarbonylContact O-C 3.58Å; D1014-G1017 PolarHBondContact OD2-N 2.94Å; G1017-Y1019 PolarHBondContact O-N 3.38Å; G1017-V1020 WeakPolarHBondContact O-CB 3.44Å; G1017-V1020 PolarHBondContact O-N 3.04Å; G1017-I1021 PolarHBondContact O-N 3.37Å
1018N98.6Very high98.2Very high1 Ų132.5 Ų32.51%0.00516%0.157CC..Hα-helixtrans-61.6-33.2-175.575.186.3000111.9L1011 D1014 V1015 F1016 I1021 Q1022 V1056L1011-N1018 VanDerWaalsContact O-CA 3.23Å; L1011-N1018 WeakPolarHBondContact O-CA 3.4Å; L1011-N1018 PolarHBondContact O-N 3.22Å; D1014-N1018 WeakPolarHBondContact O-CB 3.48Å; D1014-N1018 PolarHBondContact O-N 3.46Å; D1014-N1018 PolarHBondContact O-ND2 3.15Å; V1015-N1018 PolarHBondContact O-ND2 3.26Å; F1016-N1018 VanDerWaalsContact C-N 3.31Å; F1016-N1018 PolarHBondContact O-N 3.01Å; N1018-I1021 PolarHBondContact O-N 2.62Å; N1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; N1018-Q1022 PolarHBondContact O-N 2.88Å; N1018-Q1022 PolarHBondContact OD1-NE2 2.73Å; N1018-V1056 HydrophobicContact CB-CG2 4.04Å
1019Y98.7Very high98.1Very high110 Ų11034.3 Ų34.343%0.43117%0.168SC..Hα-helixtrans-68.6-32.2177.5-60.3-77.2000112.6Q986 V1015 G1017 Q1022 K1023Q986-Y1019 VanDerWaalsContact CD-CB 3.48Å; Q986-Y1019 VanDerWaalsContact NE2-CB 3.29Å; V1015-Y1019 WeakPolarHBondContact O-CE2 3.49Å; G1017-Y1019 PolarHBondContact O-N 3.38Å; Y1019-Q1022 PolarHBondContact O-N 3.32Å; Y1019-K1023 WeakPolarHBondContact O-CG 3.48Å; Y1019-K1023 PolarHBondContact O-N 2.72Å
1020V98.6Very high98Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-68.9-42.4174.7-1790000110A976 I985 Q986 L989 I1004 G1017 K1023 F1024A976-V1020 HydrophobicContact CB-CB 4.45Å; A976-V1020 HydrophobicContact CB-CG2 3.92Å; I985-V1020 HydrophobicContact CB-CG2 4.37Å; I985-V1020 HydrophobicContact CG2-CG1 3.8Å; I985-V1020 HydrophobicContact CG2-CG2 4.04Å; Q986-V1020 HydrophobicContact CG-CG2 4.47Å; L989-V1020 HydrophobicContact CD1-CG1 4.4Å; I1004-V1020 HydrophobicContact CD1-CG1 4.19Å; G1017-V1020 WeakPolarHBondContact O-CB 3.44Å; G1017-V1020 PolarHBondContact O-N 3.04Å; V1020-K1023 PolarHBondContact O-N 3.04Å; V1020-F1024 HydrophobicContact CG1-CD2 4.33Å; V1020-F1024 HydrophobicContact CG1-CE2 4.32Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.31Å; V1020-F1024 PolarHBondContact O-N 3.35Å; V1020-F1024 VanDerWaalsContact O-N 3.13Å
1021I98.7Very high97.9Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-63.7-43174.6-55.3-65.4000111I1004 A1008 L1011 M1012 G1017 N1018 K1023 F1024 F1025 L1036 V1056I1004-I1021 HydrophobicContact CD1-CD1 4.18Å; A1008-I1021 HydrophobicContact CB-CD1 4.27Å; L1011-I1021 HydrophobicContact CB-CD1 4.01Å; L1011-I1021 HydrophobicContact CB-CG1 3.84Å; L1011-I1021 HydrophobicContact CD1-CD1 4.32Å; M1012-I1021 HydrophobicContact CE-CG2 3.79Å; M1012-I1021 HydrophobicContact CG-CB 4.37Å; M1012-I1021 HydrophobicContact CG-CG1 4.11Å; M1012-I1021 HydrophobicContact CG-CG2 3.9Å; G1017-I1021 PolarHBondContact O-N 3.37Å; N1018-I1021 PolarHBondContact O-N 2.62Å; I1021-K1023 VanDerWaalsContact C-N 3.34Å; I1021-K1023 PolarHBondContact O-N 2.97Å; I1021-F1024 PolarHBondContact O-N 2.9Å; I1021-F1024 VanDerWaalsContact O-N 3.13Å; I1021-F1025 HydrophobicContact CG2-CD2 4.08Å; I1021-F1025 HydrophobicContact CG2-CE2 3.95Å; I1021-F1025 PolarHBondContact O-N 3.37Å; I1021-L1036 HydrophobicContact CG2-CD1 4.29Å; I1021-L1036 HydrophobicContact CG2-CD2 4.46Å; I1021-V1056 HydrophobicContact CG2-CG1 3.71Å; I1021-V1056 HydrophobicContact CG2-CG2 4.48Å
1022Q98.6Very high97.8Very high36 Ų3637.8 Ų37.817%0.16819%0.193CC..Hα-helixtrans-59.1-41.8173.4-74.8-178.576.100112.3N1018 Y1019 F1024 F1025 E1026 V1056 K1059N1018-Q1022 WeakPolarHBondContact O-CG 3.39Å; N1018-Q1022 PolarHBondContact O-N 2.88Å; N1018-Q1022 PolarHBondContact OD1-NE2 2.73Å; Y1019-Q1022 PolarHBondContact O-N 3.32Å; Q1022-F1024 VanDerWaalsContact C-N 3.28Å; Q1022-F1024 PolarHBondContact O-N 2.75Å; Q1022-F1025 PolarHBondContact O-N 3.42Å; Q1022-E1026 PolarHBondContact O-N 3.09Å; Q1022-V1056 HydrophobicContact CG-CG2 4.29Å; Q1022-K1059 HydrophobicContact CB-CB 4.39Å; Q1022-K1059 HydrophobicContact CB-CG 4.04Å; Q1022-K1059 HydrophobicContact CG-CB 3.91Å; Q1022-K1059 HydrophobicContact CG-CG 4.13Å
1023K98.4Very high97.8Very high35 Ų3539.5 Ų39.515%0.15220%0.201CC..Hα-helixtrans-64.5-27.4175.1-80.5-75.7164.3-171.20113.3Q986 L989 E990 Y1019 V1020 I1021 E1026 L1027Q986-K1023 HydrophobicContact CB-CG 4.14Å; Q986-K1023 HydrophobicContact CG-CG 4Å; L989-K1023 HydrophobicContact CD1-CB 4.17Å; E990-K1023 WeakPolarHBondContact OE1-CE 3.43Å; E990-K1023 IonicContact OE1-NZ 2.68Å; E990-K1023 PolarHBondContact OE1-NZ 3.2Å; Y1019-K1023 WeakPolarHBondContact O-CG 3.48Å; Y1019-K1023 PolarHBondContact O-N 2.72Å; V1020-K1023 PolarHBondContact O-N 3.04Å; I1021-K1023 VanDerWaalsContact C-N 3.34Å; I1021-K1023 PolarHBondContact O-N 2.97Å; K1023-E1026 WeakPolarHBondContact CD-OE2 3.47Å; K1023-E1026 VanDerWaalsContact CE-OE2 3.28Å; K1023-E1026 WeakPolarHBondContact CE-OE2 3.36Å; K1023-E1026 IonicContact NZ-OE2 2.83Å; K1023-E1026 PolarHBondContact NZ-OE2 3.3Å; K1023-L1027 HydrophobicContact CD-CD1 3.63Å; K1023-L1027 HydrophobicContact CD-CG 4.4Å; K1023-L1027 WeakPolarHBondContact O-CA 3.48Å; K1023-L1027 VanDerWaalsContact O-CB 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.44Å; K1023-L1027 PolarHBondContact O-N 3.01Å
1024F98.5Very high97.7Very high2 Ų242.1 Ų42.11%0.00921%0.212CC..Hα-helixtrans-77.6-33.4170.6-86.7-77.3000113.6L989 K997 V1000 F1001 I1004 V1020 I1021 Q1022 E1026 G1028 L1036L989-F1024 HydrophobicContact CD1-CD2 4.14Å; L989-F1024 HydrophobicContact CD1-CE2 3.66Å; L989-F1024 HydrophobicContact CD1-CZ 4.21Å; L989-F1024 HydrophobicContact CD2-CE1 4.33Å; L989-F1024 HydrophobicContact CD2-CE2 3.96Å; L989-F1024 HydrophobicContact CD2-CZ 3.63Å; K997-F1024 HydrophobicContact CB-CE1 4.27Å; K997-F1024 WeakPolarHBondContact O-CE1 3.48Å; K997-F1024 WeakPolarHBondContact O-CZ 3.21Å; V1000-F1024 HydrophobicContact CB-CZ 4.04Å; V1000-F1024 HydrophobicContact CG1-CE2 3.74Å; V1000-F1024 HydrophobicContact CG1-CZ 3.77Å; F1001-F1024 HydrophobicContact CB-CD1 4.41Å; F1001-F1024 HydrophobicContact CB-CE1 3.76Å; F1001-F1024 HydrophobicContact CB-CZ 3.99Å; F1001-F1024 AromaticContact CD2-CD1 3.55Å; F1001-F1024 HydrophobicContact CD2-CD1 3.55Å; F1001-F1024 AromaticContact CD2-CE1 3.78Å; F1001-F1024 HydrophobicContact CD2-CE1 3.78Å; F1001-F1024 AromaticContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CG 3.95Å; F1001-F1024 HydrophobicContact CD2-CZ 4.36Å; F1001-F1024 HydrophobicContact CE2-CD1 4.27Å; F1001-F1024 HydrophobicContact CE2-CG 4.49Å; F1001-F1024 HydrophobicContact CG-CD1 4.41Å; F1001-F1024 HydrophobicContact CG-CE1 4.23Å; I1004-F1024 HydrophobicContact CD1-CD2 3.43Å; I1004-F1024 VanDerWaalsContact CD1-CD2 3.43Å; I1004-F1024 HydrophobicContact CD1-CE2 3.44Å; I1004-F1024 VanDerWaalsContact CD1-CE2 3.44Å; I1004-F1024 HydrophobicContact CD1-CG 4.32Å; I1004-F1024 HydrophobicContact CD1-CZ 4.34Å; V1020-F1024 HydrophobicContact CG1-CD2 4.33Å; V1020-F1024 HydrophobicContact CG1-CE2 4.32Å; V1020-F1024 WeakPolarHBondContact O-CD2 3.31Å; V1020-F1024 PolarHBondContact O-N 3.35Å; V1020-F1024 VanDerWaalsContact O-N 3.13Å; I1021-F1024 PolarHBondContact O-N 2.9Å; I1021-F1024 VanDerWaalsContact O-N 3.13Å; Q1022-F1024 VanDerWaalsContact C-N 3.28Å; Q1022-F1024 PolarHBondContact O-N 2.75Å; F1024-E1026 VanDerWaalsContact C-N 3.32Å; F1024-G1028 VanDerWaalsContact O-CA 3.29Å; F1024-G1028 WeakPolarHBondContact O-CA 3.48Å; F1024-G1028 PolarHBondContact O-N 2.89Å; F1024-L1036 HydrophobicContact CB-CD1 3.69Å
1025F98.3Very high97.6Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-64.8-35.8167.7-82.1-66.6000112.1I1021 Q1022 K1033 L1036 V1056 K1059 A1060 S1063 V1064I1021-F1025 HydrophobicContact CG2-CD2 4.08Å; I1021-F1025 HydrophobicContact CG2-CE2 3.95Å; I1021-F1025 PolarHBondContact O-N 3.37Å; Q1022-F1025 PolarHBondContact O-N 3.42Å; F1025-K1033 VanDerWaalsContact O-CD 3.26Å; F1025-K1033 WeakPolarHBondContact O-CD 3.37Å; F1025-K1033 WeakPolarHBondContact O-CE 3.4Å; F1025-K1033 PolarHBondContact O-NZ 3.43Å; F1025-L1036 HydrophobicContact CD2-CD1 4.21Å; F1025-L1036 HydrophobicContact CE1-CB 3.83Å; F1025-L1036 HydrophobicContact CE2-CB 3.92Å; F1025-L1036 HydrophobicContact CE2-CD1 4.12Å; F1025-L1036 HydrophobicContact CZ-CB 3.43Å; F1025-L1036 VanDerWaalsContact CZ-CB 3.43Å; F1025-L1036 HydrophobicContact CZ-CD1 4.35Å; F1025-V1056 HydrophobicContact CD2-CG1 3.98Å; F1025-V1056 HydrophobicContact CE2-CG1 3.6Å; F1025-K1059 HydrophobicContact CB-CG 3.91Å; F1025-A1060 HydrophobicContact CD1-CB 4.02Å; F1025-A1060 HydrophobicContact CD2-CB 4.28Å; F1025-A1060 HydrophobicContact CE1-CB 3.69Å; F1025-A1060 HydrophobicContact CE2-CB 3.96Å; F1025-A1060 HydrophobicContact CG-CB 4.3Å; F1025-A1060 HydrophobicContact CZ-CB 3.64Å; F1025-S1063 WeakPolarHBondContact O-CB 3.33Å; F1025-S1063 PolarHBondContact O-OG 3.44Å; F1025-V1064 HydrophobicContact CD1-CG1 3.98Å; F1025-V1064 HydrophobicContact CE1-CG1 3.78Å
1026E97.2Very high97.6Very high62 Ų6240.8 Ų40.829%0.2920%0.202SC..Hα-helixtrans-72.6-58.4174.8-172.3178.7-13200112R36 Q1022 K1023 F1024 K1033R36-E1026 IonicContact NH2-OE1 3.65Å; Q1022-E1026 PolarHBondContact O-N 3.09Å; K1023-E1026 WeakPolarHBondContact CD-OE2 3.47Å; K1023-E1026 VanDerWaalsContact CE-OE2 3.28Å; K1023-E1026 WeakPolarHBondContact CE-OE2 3.36Å; K1023-E1026 IonicContact NZ-OE2 2.83Å; K1023-E1026 PolarHBondContact NZ-OE2 3.3Å; F1024-E1026 VanDerWaalsContact C-N 3.32Å; E1026-K1033 PolarHBondContact O-NZ 3.27Å
1027L96.4Very high97.5Very high54 Ų5438 Ų3828%0.28319%0.19SC..Hα-helixtrans-110.20.3-161.9-53.4170.9000115.5E990 K997 K1023E990-L1027 HydrophobicContact CB-CD1 4.43Å; E990-L1027 HydrophobicContact CG-CD1 3.66Å; K997-L1027 PolarHBondContact NZ-O 2.59Å; K1023-L1027 HydrophobicContact CD-CD1 3.63Å; K1023-L1027 HydrophobicContact CD-CG 4.4Å; K1023-L1027 WeakPolarHBondContact O-CA 3.48Å; K1023-L1027 VanDerWaalsContact O-CB 3.28Å; K1023-L1027 WeakPolarHBondContact O-CB 3.44Å; K1023-L1027 PolarHBondContact O-N 3.01Å
1028G96.4Very high97.3Very high11 Ų1142.4 Ų42.411%0.11321%0.211CC..SBendtrans-78.216517800000113.4F1024 Q1032 K1033F1024-G1028 VanDerWaalsContact O-CA 3.29Å; F1024-G1028 WeakPolarHBondContact O-CA 3.48Å; F1024-G1028 PolarHBondContact O-N 2.89Å; G1028-Q1032 VanDerWaalsContact CA-OE1 3.28Å; G1028-K1033 WeakPolarHBondContact O-CE 3.37Å
1029T96.3Very high97.2Very high38 Ų3847.8 Ų47.823%0.23323%0.231CC..  trans-65.9157.4173.669.40000111.1V994 E1031 Q1032 K1033V994-T1029 HydrophobicContact CG1-CG2 4.08Å; T1029-E1031 PolarHBondContact O-N 3.24Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.31Å; T1029-Q1032 PolarHBondContact O-N 2.99Å; T1029-Q1032 VanDerWaalsContact OG1-CG 3.27Å; T1029-Q1032 WeakPolarHBondContact OG1-CG 3.1Å; T1029-Q1032 PolarHBondContact OG1-N 3.26Å; T1029-K1033 WeakPolarHBondContact O-CG 3.36Å; T1029-K1033 PolarHBondContact O-N 3.41Å
1030P96.2Very high97Very high107 Ų10742.5 Ų42.570%0.69521%0.21SC*.Hα-helixtrans-53-38.5176.5-28.136.2000113.3K1033 Q1034P1030-K1033 PolarHBondContact O-N 2.92Å; P1030-Q1034 WeakPolarHBondContact O-CB 3.28Å; P1030-Q1034 PolarHBondContact O-N 2.8Å
1031E96.3Very high96.8Very high130 Ų13049.3 Ų49.361%0.60724%0.236SC*.Hα-helixtrans-61.9-46.5172.9-175.8-174.2-171.800112.3T1029 K1033 Q1034 I1035T1029-E1031 PolarHBondContact O-N 3.24Å; E1031-K1033 VanDerWaalsContact C-N 3.33Å; E1031-K1033 PolarHBondContact O-N 3.46Å; E1031-Q1034 PolarHBondContact O-N 2.96Å; E1031-I1035 HydrophobicContact CG-CD1 3.87Å; E1031-I1035 WeakPolarHBondContact O-CB 3.22Å; E1031-I1035 VanDerWaalsContact O-CG1 3.27Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.39Å; E1031-I1035 PolarHBondContact O-N 3.23Å
1032Q97.5Very high96.7Very high8 Ų852 Ų524%0.03726%0.264CS..Hα-helixtrans-61.4-41.2176.5-71.6166.5-1.700111.7T998 F1001 G1028 T1029 I1035 L1036T998-Q1032 PolarHBondContact OG1-NE2 3.44Å; F1001-Q1032 HydrophobicContact CD1-CG 3.84Å; F1001-Q1032 HydrophobicContact CD2-CB 4.08Å; F1001-Q1032 HydrophobicContact CD2-CG 4.02Å; F1001-Q1032 HydrophobicContact CE1-CB 4.19Å; F1001-Q1032 HydrophobicContact CE1-CG 3.88Å; F1001-Q1032 HydrophobicContact CE2-CB 3.71Å; F1001-Q1032 HydrophobicContact CE2-CG 4.04Å; F1001-Q1032 HydrophobicContact CG-CB 4.46Å; F1001-Q1032 HydrophobicContact CG-CG 3.9Å; F1001-Q1032 HydrophobicContact CZ-CB 3.77Å; F1001-Q1032 HydrophobicContact CZ-CG 3.98Å; F1001-Q1032 WeakPolarHBondContact CZ-O 3.24Å; G1028-Q1032 VanDerWaalsContact CA-OE1 3.28Å; T1029-Q1032 WeakPolarHBondContact O-CB 3.31Å; T1029-Q1032 PolarHBondContact O-N 2.99Å; T1029-Q1032 VanDerWaalsContact OG1-CG 3.27Å; T1029-Q1032 WeakPolarHBondContact OG1-CG 3.1Å; T1029-Q1032 PolarHBondContact OG1-N 3.26Å; Q1032-I1035 PolarHBondContact O-N 2.85Å; Q1032-L1036 PolarHBondContact O-N 3.34Å
1033K97.6Very high96.6Very high37 Ų3754.1 Ų54.116%0.16127%0.274CS..Hα-helixtrans-63.4-44.4174.5-60.3-173.1-169.1-152.10111.4F1025 E1026 G1028 T1029 P1030 E1031 L1036 A1037 S1063F1025-K1033 VanDerWaalsContact O-CD 3.26Å; F1025-K1033 WeakPolarHBondContact O-CD 3.37Å; F1025-K1033 WeakPolarHBondContact O-CE 3.4Å; F1025-K1033 PolarHBondContact O-NZ 3.43Å; E1026-K1033 PolarHBondContact O-NZ 3.27Å; G1028-K1033 WeakPolarHBondContact O-CE 3.37Å; T1029-K1033 WeakPolarHBondContact O-CG 3.36Å; T1029-K1033 PolarHBondContact O-N 3.41Å; P1030-K1033 PolarHBondContact O-N 2.92Å; E1031-K1033 VanDerWaalsContact C-N 3.33Å; E1031-K1033 PolarHBondContact O-N 3.46Å; K1033-L1036 PolarHBondContact O-N 3.47Å; K1033-A1037 WeakPolarHBondContact O-CB 3.18Å; K1033-A1037 PolarHBondContact O-N 2.99Å; K1033-S1063 WeakPolarHBondContact CD-O 3.21Å
1034Q96Very high96.6Very high109 Ų10952.4 Ų52.451%0.50927%0.266SS..Hα-helixtrans-63.8-41.4176.9-171-179.512.300112.2P1030 E1031 A1037 Q1038 M1068P1030-Q1034 WeakPolarHBondContact O-CB 3.28Å; P1030-Q1034 PolarHBondContact O-N 2.8Å; E1031-Q1034 PolarHBondContact O-N 2.96Å; Q1034-A1037 PolarHBondContact O-N 3.13Å; Q1034-Q1038 WeakPolarHBondContact O-CG 3.42Å; Q1034-Q1038 PolarHBondContact O-N 3.22Å; Q1034-M1068 HydrophobicContact CG-CE 4.11Å
1035I97.1Very high96.6Very high58 Ų5854.8 Ų54.830%0.29728%0.279SS..Hα-helixtrans-64-44.5176.3-71.6167.8000110.9F1001 L1005 E1031 Q1032 A1037 Q1038 R1039F1001-I1035 HydrophobicContact CE1-CB 4.32Å; F1001-I1035 HydrophobicContact CE1-CD1 4.32Å; F1001-I1035 HydrophobicContact CE1-CG2 3.99Å; F1001-I1035 HydrophobicContact CZ-CB 4.08Å; F1001-I1035 HydrophobicContact CZ-CG2 3.89Å; L1005-I1035 HydrophobicContact CD1-CG2 3.57Å; L1005-I1035 HydrophobicContact CD2-CG2 3.73Å; L1005-I1035 HydrophobicContact CG-CG2 4.32Å; E1031-I1035 HydrophobicContact CG-CD1 3.87Å; E1031-I1035 WeakPolarHBondContact O-CB 3.22Å; E1031-I1035 VanDerWaalsContact O-CG1 3.27Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.39Å; E1031-I1035 PolarHBondContact O-N 3.23Å; Q1032-I1035 PolarHBondContact O-N 2.85Å; I1035-A1037 VanDerWaalsContact C-N 3.33Å; I1035-A1037 PolarHBondContact O-N 2.6Å; I1035-Q1038 PolarHBondContact O-N 3.08Å; I1035-R1039 WeakPolarHBondContact O-CG 3.5Å; I1035-R1039 PolarHBondContact O-N 2.92Å
1036L97.8Very high96.6Very high0 Ų057.4 Ų57.40%030%0.297CS..Hα-helixtrans-64.2-37.8174.1-72.9175.1000112.2F1001 A1008 M1012 I1021 F1024 F1025 Q1032 K1033 Q1038 R1039 I1040F1001-L1036 HydrophobicContact CE2-CD1 3.89Å; F1001-L1036 HydrophobicContact CE2-CD2 4.11Å; F1001-L1036 HydrophobicContact CE2-CG 3.7Å; F1001-L1036 HydrophobicContact CZ-CD2 4.44Å; F1001-L1036 HydrophobicContact CZ-CG 4.03Å; A1008-L1036 HydrophobicContact CB-CD2 4.22Å; M1012-L1036 HydrophobicContact CE-CD2 4.26Å; I1021-L1036 HydrophobicContact CG2-CD1 4.29Å; I1021-L1036 HydrophobicContact CG2-CD2 4.46Å; F1024-L1036 HydrophobicContact CB-CD1 3.69Å; F1025-L1036 HydrophobicContact CD2-CD1 4.21Å; F1025-L1036 HydrophobicContact CE1-CB 3.83Å; F1025-L1036 HydrophobicContact CE2-CB 3.92Å; F1025-L1036 HydrophobicContact CE2-CD1 4.12Å; F1025-L1036 HydrophobicContact CZ-CB 3.43Å; F1025-L1036 VanDerWaalsContact CZ-CB 3.43Å; F1025-L1036 HydrophobicContact CZ-CD1 4.35Å; Q1032-L1036 PolarHBondContact O-N 3.34Å; K1033-L1036 PolarHBondContact O-N 3.47Å; L1036-Q1038 PolarHBondContact O-N 3.23Å; L1036-R1039 WeakPolarHBondContact O-CA 3.13Å; L1036-R1039 WeakPolarHBondContact O-CB 3.35Å; L1036-R1039 PolarHBondContact O-N 2.95Å; L1036-I1040 PolarHBondContact O-N 3.01Å; L1036-I1040 VanDerWaalsContact O-N 3.15Å
1037A96.2Very high96.7Very high1 Ų154.4 Ų54.41%0.00828%0.283CS..Hα-helixtrans-63.6-39.7176.800000112.4K1033 Q1034 I1035 R1039 I1040 R1041 V1064 M1068K1033-A1037 WeakPolarHBondContact O-CB 3.18Å; K1033-A1037 PolarHBondContact O-N 2.99Å; Q1034-A1037 PolarHBondContact O-N 3.13Å; I1035-A1037 VanDerWaalsContact C-N 3.33Å; I1035-A1037 PolarHBondContact O-N 2.6Å; A1037-R1039 PolarHBondContact O-N 2.82Å; A1037-I1040 WeakPolarHBondContact O-CG1 3.23Å; A1037-I1040 PolarHBondContact O-N 2.68Å; A1037-R1041 PolarHBondContact O-N 2.92Å; A1037-V1064 HydrophobicContact CB-CG1 4.17Å; A1037-M1068 HydrophobicContact CB-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CG 3.37Å; A1037-M1068 HydrophobicContact CB-SD 3.53Å; A1037-M1068 VanDerWaalsContact CB-SD 3.53Å
1038Q94.7Very high96.8Very high91 Ų9151.9 Ų51.943%0.42527%0.27SS..Hα-helixtrans-68.9-15.3171.6-64.6-68.7-2.900113.3Q1034 I1035 L1036 M1068Q1034-Q1038 WeakPolarHBondContact O-CG 3.42Å; Q1034-Q1038 PolarHBondContact O-N 3.22Å; I1035-Q1038 PolarHBondContact O-N 3.08Å; L1036-Q1038 PolarHBondContact O-N 3.23Å; Q1038-M1068 HydrophobicContact CG-CE 4.49Å
1039R94.9Very high96.9Very high114 Ų11453.3 Ų53.343%0.4328%0.275SS..Hα-helixtrans-89.6-19.2174.3-69.5-58.2-163.178.76114.7L1005 I1035 L1036 A1037L1005-R1039 HydrophobicContact CD1-CG 4.03Å; L1005-R1039 PolarHBondContact O-NH1 3.11Å; I1035-R1039 WeakPolarHBondContact O-CG 3.5Å; I1035-R1039 PolarHBondContact O-N 2.92Å; L1036-R1039 WeakPolarHBondContact O-CA 3.13Å; L1036-R1039 WeakPolarHBondContact O-CB 3.35Å; L1036-R1039 PolarHBondContact O-N 2.95Å; A1037-R1039 PolarHBondContact O-N 2.82Å
1040I96.3Very high97Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-87.5-16169.159.9173.7000112.7M1012 L1036 A1037 Q1043 V1044 L1047 I1057 A1060 I1072M1012-I1040 HydrophobicContact CE-CG2 3.49Å; M1012-I1040 VanDerWaalsContact CE-CG2 3.49Å; M1012-I1040 HydrophobicContact SD-CG2 3.61Å; L1036-I1040 PolarHBondContact O-N 3.01Å; L1036-I1040 VanDerWaalsContact O-N 3.15Å; A1037-I1040 WeakPolarHBondContact O-CG1 3.23Å; A1037-I1040 PolarHBondContact O-N 2.68Å; I1040-Q1043 CarbonylContact O-C 3.59Å; I1040-Q1043 WeakPolarHBondContact O-CA 3.47Å; I1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; I1040-Q1043 PolarHBondContact O-N 3.3Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.4Å; I1040-V1044 PolarHBondContact O-N 2.89Å; I1040-L1047 HydrophobicContact CB-CD1 3.9Å; I1040-L1047 HydrophobicContact CG2-CD1 3.62Å; I1040-I1057 HydrophobicContact CB-CD1 4.05Å; I1040-I1057 HydrophobicContact CD1-CD1 3.75Å; I1040-I1057 HydrophobicContact CG1-CD1 4.44Å; I1040-I1057 HydrophobicContact CG2-CD1 4.18Å; I1040-A1060 HydrophobicContact CD1-CB 3.95Å; I1040-I1072 HydrophobicContact CD1-CD1 3.74Å; I1040-I1072 HydrophobicContact CD1-CG1 3.94Å
1041R94Very high97Very high143 Ų14353.9 Ų53.954%0.5427%0.267SS..THydrogen-bonded Turntrans-61.6135.2178.6-161.9-176.5-178.8179.71.8111.8A1037 Q1043 E1075A1037-R1041 PolarHBondContact O-N 2.92Å; R1041-Q1043 PolarHBondContact O-N 3.22Å; R1041-E1075 WeakPolarHBondContact CA-OE1 3.5Å; R1041-E1075 WeakPolarHBondContact CG-OE1 3.28Å
1042G95.8Very high97.1Very high57 Ų5750.3 Ų50.359%0.58825%0.248SC*.THydrogen-bonded Turntrans74.34.5-170.500000114E1075G1042-E1075 VanDerWaalsContact CA-OE2 3.3Å; G1042-E1075 WeakPolarHBondContact CA-OE2 3.23Å; G1042-E1075 PolarHBondContact N-OE1 3.1Å; G1042-E1075 PolarHBondContact N-OE2 3.22Å
1043Q97.2Very high97.2Very high79 Ų7949.9 Ų49.937%0.36925%0.246SC..  trans-132.54-179.4-63.7-61.6-36.900112.6Y1009 I1040 R1041 L1045 S1046 L1047 E1075Y1009-Q1043 HydrophobicContact CD2-CG 4.45Å; Y1009-Q1043 HydrophobicContact CE2-CB 4.16Å; Y1009-Q1043 HydrophobicContact CE2-CG 4.11Å; I1040-Q1043 CarbonylContact O-C 3.59Å; I1040-Q1043 WeakPolarHBondContact O-CA 3.47Å; I1040-Q1043 WeakPolarHBondContact O-CB 3.42Å; I1040-Q1043 PolarHBondContact O-N 3.3Å; R1041-Q1043 PolarHBondContact O-N 3.22Å; Q1043-L1045 VanDerWaalsContact C-N 3.35Å; Q1043-L1045 PolarHBondContact O-N 3.17Å; Q1043-S1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-S1046 PolarHBondContact O-N 3Å; Q1043-S1046 VanDerWaalsContact O-N 3.08Å; Q1043-L1047 HydrophobicContact CB-CD1 4.2Å; Q1043-L1047 HydrophobicContact CB-CG 4.46Å; Q1043-L1047 PolarHBondContact O-N 2.71Å; Q1043-E1075 PolarHBondContact N-OE2 3.06Å
1044V98.2Very high97.2Very high0 Ų048.1 Ų48.10%024%0.238CC..Hα-helixtrans-60.2-43.1-172.2176.60000111.5I1040 L1047 S1048 I1057 I1072 E1075 L1076I1040-V1044 WeakPolarHBondContact O-CG2 3.4Å; I1040-V1044 PolarHBondContact O-N 2.89Å; V1044-L1047 PolarHBondContact O-N 3.23Å; V1044-S1048 WeakPolarHBondContact O-CB 3.21Å; V1044-S1048 PolarHBondContact O-N 3.18Å; V1044-S1048 PolarHBondContact O-OG 3.35Å; V1044-I1057 HydrophobicContact CG1-CD1 4.39Å; V1044-I1057 HydrophobicContact CG1-CG2 4.24Å; V1044-I1072 HydrophobicContact CG1-CG2 3.79Å; V1044-I1072 HydrophobicContact CG2-CB 4.49Å; V1044-I1072 HydrophobicContact CG2-CG2 3.98Å; V1044-E1075 HydrophobicContact CB-CB 3.77Å; V1044-E1075 HydrophobicContact CB-CG 4.49Å; V1044-E1075 WeakPolarHBondContact CB-OE2 3.5Å; V1044-E1075 HydrophobicContact CG1-CB 4.37Å; V1044-E1075 HydrophobicContact CG2-CB 4.12Å; V1044-E1075 HydrophobicContact CG2-CG 4.38Å; V1044-E1075 VanDerWaalsContact CG2-OE2 3.28Å; V1044-E1075 WeakPolarHBondContact CG2-OE2 3.44Å; V1044-E1075 PolarHBondContact N-OE2 3.28Å; V1044-L1076 HydrophobicContact CG1-CD2 4.01Å; V1044-L1076 HydrophobicContact CG1-CG 4.32Å
1045L98.2Very high97.4Very high52 Ų5247.8 Ų47.827%0.27223%0.233SC..Hα-helixtrans-62.6-41.9175.5177.759.3000112.7Q1043 S1048 L1049 C1079 C1083Q1043-L1045 VanDerWaalsContact C-N 3.35Å; Q1043-L1045 PolarHBondContact O-N 3.17Å; L1045-S1048 PolarHBondContact O-N 3.25Å; L1045-L1049 HydrophobicContact CD1-CD1 3.79Å; L1045-L1049 HydrophobicContact CD1-CG 4.18Å; L1045-L1049 HydrophobicContact CG-CD1 4.23Å; L1045-L1049 WeakPolarHBondContact O-CG 3.23Å; L1045-L1049 PolarHBondContact O-N 3.28Å; L1045-C1079 HydrophobicContact CD1-CB 4.29Å; L1045-C1079 HydrophobicContact CD2-CB 4.14Å; L1045-C1083 WeakPolarHBondContact CD1-SG 3.4Å
1046S98.2Very high97.4Very high54 Ų5445 Ų4538%0.37822%0.218SC..Hα-helixtrans-60.7-50.9178.1-179.10000110.7Y1009 Q1043 Q1050Y1009-S1046 PolarHBondContact OH-OG 3.39Å; Q1043-S1046 WeakPolarHBondContact O-CB 3.36Å; Q1043-S1046 PolarHBondContact O-N 3Å; Q1043-S1046 VanDerWaalsContact O-N 3.08Å; S1046-Q1050 PolarHBondContact O-N 3.26Å
1047L98.6Very high97.5Very high0 Ų045 Ų450%022%0.218CC..Hα-helixtrans-67.1-38179.7-67.7169.4000112.1Y1009 M1012 I1013 I1040 Q1043 V1044 L1049 Q1050 G1053 C1054 I1057Y1009-L1047 HydrophobicContact CD2-CD2 4.22Å; Y1009-L1047 HydrophobicContact CE2-CD1 4.49Å; Y1009-L1047 HydrophobicContact CE2-CD2 3.83Å; Y1009-L1047 HydrophobicContact CE2-CG 4.13Å; M1012-L1047 HydrophobicContact CB-CD2 4.04Å; M1012-L1047 HydrophobicContact SD-CD1 4.12Å; I1013-L1047 HydrophobicContact CG2-CD2 3.7Å; I1040-L1047 HydrophobicContact CB-CD1 3.9Å; I1040-L1047 HydrophobicContact CG2-CD1 3.62Å; Q1043-L1047 HydrophobicContact CB-CD1 4.2Å; Q1043-L1047 HydrophobicContact CB-CG 4.46Å; Q1043-L1047 PolarHBondContact O-N 2.71Å; V1044-L1047 PolarHBondContact O-N 3.23Å; L1047-L1049 VanDerWaalsContact C-N 3.28Å; L1047-L1049 PolarHBondContact O-N 3.16Å; L1047-Q1050 PolarHBondContact O-N 3.35Å; L1047-G1053 CarbonylContact O-C 3.54Å; L1047-G1053 WeakPolarHBondContact O-CA 3.34Å; L1047-C1054 PolarHBondContact O-N 2.8Å; L1047-I1057 HydrophobicContact CB-CD1 3.9Å; L1047-I1057 HydrophobicContact CB-CG1 3.7Å; L1047-I1057 HydrophobicContact CD1-CD1 3.96Å
1048S98.7Very high97.6Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-64.1-30.8-178.4-63.30000113.7V1044 L1045 C1054 N1088 G1089V1044-S1048 WeakPolarHBondContact O-CB 3.21Å; V1044-S1048 PolarHBondContact O-N 3.18Å; V1044-S1048 PolarHBondContact O-OG 3.35Å; L1045-S1048 PolarHBondContact O-N 3.25Å; S1048-C1054 VanDerWaalsContact O-CB 3.32Å; S1048-C1054 WeakPolarHBondContact O-CB 3.4Å; S1048-N1088 CarbonylContact O-C 3.32Å; S1048-N1088 WeakPolarHBondContact O-CB 3.16Å; S1048-G1089 WeakPolarHBondContact O-CA 3.35Å; S1048-G1089 PolarHBondContact O-N 3.32Å
1049L98.5Very high97.8Very high41 Ų4143.8 Ų43.822%0.21521%0.212CC..THydrogen-bonded Turntrans-86.6-8.1176.7-59.9170.5000112.6L1045 L1047 K1082 D1086 N1088L1045-L1049 HydrophobicContact CD1-CD1 3.79Å; L1045-L1049 HydrophobicContact CD1-CG 4.18Å; L1045-L1049 HydrophobicContact CG-CD1 4.23Å; L1045-L1049 WeakPolarHBondContact O-CG 3.23Å; L1045-L1049 PolarHBondContact O-N 3.28Å; L1047-L1049 VanDerWaalsContact C-N 3.28Å; L1047-L1049 PolarHBondContact O-N 3.16Å; L1049-K1082 VanDerWaalsContact CD1-CE 3.42Å; L1049-D1086 HydrophobicContact CD2-CB 3.54Å; L1049-D1086 WeakPolarHBondContact CD2-OD2 3.32Å; L1049-N1088 PolarHBondContact O-ND2 3.16Å
1050Q98.3Very high97.9Very high56 Ų5638.4 Ų38.426%0.26219%0.191SC..SBendtrans-94.4137-176.7-152.4-79.8-12.900111.1I1013 S1046 L1047 Y1052 G1053 C1054I1013-Q1050 HydrophobicContact CB-CG 4.36Å; I1013-Q1050 HydrophobicContact CG2-CG 3.95Å; I1013-Q1050 PolarHBondContact O-NE2 2.97Å; S1046-Q1050 PolarHBondContact O-N 3.26Å; L1047-Q1050 PolarHBondContact O-N 3.35Å; Q1050-Y1052 VanDerWaalsContact C-N 3.27Å; Q1050-Y1052 PolarHBondContact O-N 2.84Å; Q1050-Y1052 VanDerWaalsContact O-N 3.13Å; Q1050-G1053 PolarHBondContact O-N 2.92Å; Q1050-C1054 VanDerWaalsContact O-CB 3.25Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-C1054 PolarHBondContact O-N 3.1Å; Q1050-C1054 PolarHBondContact O-SG 3.29Å; Q1050-C1054 VanDerWaalsContact O-SG 3.41Å
1051M97.8Very high98Very high102 Ų10238.4 Ų38.450%0.50219%0.191SC..THydrogen-bonded Turntrans-57.5-28.9-169.7178166.548.700116N1088M1051-N1088 PolarHBondContact N-ND2 2.96Å
1052Y98.4Very high98.2Very high54 Ų5434.9 Ų34.921%0.21218%0.181CC..THydrogen-bonded Turntrans-107.9-38.7177.4-46.8-60.4000111.1M1012 I1013 V1015 Q1050 C1054 R1055 V1056M1012-Y1052 CarbonylContact O-C 3.35Å; I1013-Y1052 VanDerWaalsContact O-CD2 3.31Å; I1013-Y1052 WeakPolarHBondContact O-CD2 3.36Å; V1015-Y1052 HydrophobicContact CB-CE1 4.15Å; V1015-Y1052 HydrophobicContact CB-CE2 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE1 3.92Å; V1015-Y1052 HydrophobicContact CG2-CE2 4.49Å; V1015-Y1052 WeakPolarHBondContact CG2-OH 3.47Å; Q1050-Y1052 VanDerWaalsContact C-N 3.27Å; Q1050-Y1052 PolarHBondContact O-N 2.84Å; Q1050-Y1052 VanDerWaalsContact O-N 3.13Å; Y1052-C1054 PolarHBondContact O-N 3Å; Y1052-R1055 VanDerWaalsContact O-CB 3.31Å; Y1052-R1055 WeakPolarHBondContact O-CB 3.38Å; Y1052-R1055 PolarHBondContact O-N 3.28Å; Y1052-V1056 PolarHBondContact O-N 2.96Å
1053G98.6Very high98.2Very high0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-56.4-36.6175.500000112.7M1012 L1047 Q1050 R1055 V1056 I1057M1012-G1053 WeakPolarHBondContact O-CA 3.45Å; M1012-G1053 PolarHBondContact O-N 3.45Å; L1047-G1053 CarbonylContact O-C 3.54Å; L1047-G1053 WeakPolarHBondContact O-CA 3.34Å; Q1050-G1053 PolarHBondContact O-N 2.92Å; G1053-R1055 PolarHBondContact O-N 3.45Å; G1053-V1056 WeakPolarHBondContact O-CB 3.43Å; G1053-V1056 PolarHBondContact O-N 3.19Å; G1053-V1056 VanDerWaalsContact O-N 3.07Å; G1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; G1053-I1057 PolarHBondContact O-N 3.26Å
1054C98.6Very high98.2Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-62.9-31.1178.275.30000112L1047 S1048 Q1050 Y1052 I1057 Q1058 N1088 V1092L1047-C1054 PolarHBondContact O-N 2.8Å; S1048-C1054 VanDerWaalsContact O-CB 3.32Å; S1048-C1054 WeakPolarHBondContact O-CB 3.4Å; Q1050-C1054 VanDerWaalsContact O-CB 3.25Å; Q1050-C1054 WeakPolarHBondContact O-CB 3.49Å; Q1050-C1054 PolarHBondContact O-N 3.1Å; Q1050-C1054 PolarHBondContact O-SG 3.29Å; Q1050-C1054 VanDerWaalsContact O-SG 3.41Å; Y1052-C1054 PolarHBondContact O-N 3Å; C1054-I1057 PolarHBondContact O-N 3.3Å; C1054-Q1058 VanDerWaalsContact C-NE2 3.3Å; C1054-Q1058 WeakPolarHBondContact O-CB 3.36Å; C1054-Q1058 VanDerWaalsContact O-CG 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.23Å; C1054-Q1058 PolarHBondContact O-N 2.94Å; C1054-Q1058 PolarHBondContact O-NE2 2.79Å; C1054-N1088 HydrophobicContact CB-CB 3.87Å; C1054-V1092 HydrophobicContact CB-CG2 3.98Å
1055R98.7Very high98.1Very high102 Ų10234.4 Ų34.439%0.38518%0.175SC..Hα-helixtrans-71.8-37.4176-51.7-59.2177.2176.1-1.7110.9Y1052 G1053 K1059Y1052-R1055 VanDerWaalsContact O-CB 3.31Å; Y1052-R1055 WeakPolarHBondContact O-CB 3.38Å; Y1052-R1055 PolarHBondContact O-N 3.28Å; G1053-R1055 PolarHBondContact O-N 3.45Å; R1055-K1059 WeakPolarHBondContact O-CB 3.44Å; R1055-K1059 PolarHBondContact O-N 2.92Å
1056V98.7Very high98Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-65.5-45.4171.9-174.40000111.1M1012 N1018 I1021 Q1022 F1025 Y1052 G1053 Q1058 K1059 A1060M1012-V1056 HydrophobicContact CB-CG2 4.14Å; M1012-V1056 HydrophobicContact CE-CG1 4.47Å; M1012-V1056 HydrophobicContact CG-CB 4.45Å; M1012-V1056 HydrophobicContact CG-CG1 4.06Å; M1012-V1056 HydrophobicContact CG-CG2 4.15Å; N1018-V1056 HydrophobicContact CB-CG2 4.04Å; I1021-V1056 HydrophobicContact CG2-CG1 3.71Å; I1021-V1056 HydrophobicContact CG2-CG2 4.48Å; Q1022-V1056 HydrophobicContact CG-CG2 4.29Å; F1025-V1056 HydrophobicContact CD2-CG1 3.98Å; F1025-V1056 HydrophobicContact CE2-CG1 3.6Å; Y1052-V1056 PolarHBondContact O-N 2.96Å; G1053-V1056 WeakPolarHBondContact O-CB 3.43Å; G1053-V1056 PolarHBondContact O-N 3.19Å; G1053-V1056 VanDerWaalsContact O-N 3.07Å; V1056-Q1058 PolarHBondContact O-N 3.18Å; V1056-K1059 PolarHBondContact O-N 3.45Å; V1056-A1060 VanDerWaalsContact O-CB 3.29Å; V1056-A1060 WeakPolarHBondContact O-CB 3.47Å; V1056-A1060 PolarHBondContact O-N 3.34Å
1057I98.7Very high97.9Very high0 Ų040.9 Ų40.90%020%0.2CC..Hα-helixtrans-63-43.3178-59.9-59.5000111I1040 V1044 L1047 G1053 C1054 A1060 V1061 I1072 V1092I1040-I1057 HydrophobicContact CB-CD1 4.05Å; I1040-I1057 HydrophobicContact CD1-CD1 3.75Å; I1040-I1057 HydrophobicContact CG1-CD1 4.44Å; I1040-I1057 HydrophobicContact CG2-CD1 4.18Å; V1044-I1057 HydrophobicContact CG1-CD1 4.39Å; V1044-I1057 HydrophobicContact CG1-CG2 4.24Å; L1047-I1057 HydrophobicContact CB-CD1 3.9Å; L1047-I1057 HydrophobicContact CB-CG1 3.7Å; L1047-I1057 HydrophobicContact CD1-CD1 3.96Å; G1053-I1057 WeakPolarHBondContact O-CG1 3.34Å; G1053-I1057 PolarHBondContact O-N 3.26Å; C1054-I1057 PolarHBondContact O-N 3.3Å; I1057-A1060 PolarHBondContact O-N 3.01Å; I1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-V1061 PolarHBondContact O-N 2.86Å; I1057-I1072 HydrophobicContact CG2-CG2 4.19Å; I1057-V1092 HydrophobicContact CB-CG2 4.23Å; I1057-V1092 HydrophobicContact CG2-CG1 3.62Å; I1057-V1092 HydrophobicContact CG2-CG2 4.21Å
1058Q98.7Very high97.7Very high24 Ų2441.9 Ų41.911%0.11221%0.205CC..Hα-helixtrans-55.1-53.3172.7-79.11607700111.3C1054 V1056 A1060 V1061 E1062 V1092 K1095C1054-Q1058 VanDerWaalsContact C-NE2 3.3Å; C1054-Q1058 WeakPolarHBondContact O-CB 3.36Å; C1054-Q1058 VanDerWaalsContact O-CG 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.23Å; C1054-Q1058 PolarHBondContact O-N 2.94Å; C1054-Q1058 PolarHBondContact O-NE2 2.79Å; V1056-Q1058 PolarHBondContact O-N 3.18Å; Q1058-A1060 VanDerWaalsContact C-N 3.3Å; Q1058-A1060 PolarHBondContact O-N 3.46Å; Q1058-V1061 PolarHBondContact O-N 2.99Å; Q1058-E1062 WeakPolarHBondContact O-CG 3.46Å; Q1058-E1062 PolarHBondContact O-N 3.08Å; Q1058-E1062 VanDerWaalsContact O-N 3.1Å; Q1058-V1092 HydrophobicContact CG-CG2 4.34Å; Q1058-K1095 HydrophobicContact CB-CB 4.49Å; Q1058-K1095 HydrophobicContact CB-CG 4.15Å; Q1058-K1095 HydrophobicContact CG-CB 3.89Å; Q1058-K1095 HydrophobicContact CG-CG 4.1Å
1059K98.5Very high97.6Very high42 Ų4243 Ų4318%0.18321%0.21CC..Hα-helixtrans-65.2-31.5179.6-174.454.561.9-163.90113Q1022 F1025 R1055 V1056 E1062 S1063Q1022-K1059 HydrophobicContact CB-CB 4.39Å; Q1022-K1059 HydrophobicContact CB-CG 4.04Å; Q1022-K1059 HydrophobicContact CG-CB 3.91Å; Q1022-K1059 HydrophobicContact CG-CG 4.13Å; F1025-K1059 HydrophobicContact CB-CG 3.91Å; R1055-K1059 WeakPolarHBondContact O-CB 3.44Å; R1055-K1059 PolarHBondContact O-N 2.92Å; V1056-K1059 PolarHBondContact O-N 3.45Å; K1059-E1062 VanDerWaalsContact CE-OE2 3.25Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.32Å; K1059-E1062 IonicContact NZ-OE2 3.89Å; K1059-E1062 PolarHBondContact NZ-OE2 3.17Å; K1059-S1063 VanDerWaalsContact O-CB 3.22Å; K1059-S1063 WeakPolarHBondContact O-CB 3.24Å; K1059-S1063 PolarHBondContact O-N 3.18Å; K1059-S1063 PolarHBondContact O-OG 2.67Å
1060A98.3Very high97.6Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-65.4-50.8174.800000110.7F1025 I1040 V1056 I1057 Q1058 E1062 S1063 V1064 I1072F1025-A1060 HydrophobicContact CD1-CB 4.02Å; F1025-A1060 HydrophobicContact CD2-CB 4.28Å; F1025-A1060 HydrophobicContact CE1-CB 3.69Å; F1025-A1060 HydrophobicContact CE2-CB 3.96Å; F1025-A1060 HydrophobicContact CG-CB 4.3Å; F1025-A1060 HydrophobicContact CZ-CB 3.64Å; I1040-A1060 HydrophobicContact CD1-CB 3.95Å; V1056-A1060 VanDerWaalsContact O-CB 3.29Å; V1056-A1060 WeakPolarHBondContact O-CB 3.47Å; V1056-A1060 PolarHBondContact O-N 3.34Å; I1057-A1060 PolarHBondContact O-N 3.01Å; Q1058-A1060 VanDerWaalsContact C-N 3.3Å; Q1058-A1060 PolarHBondContact O-N 3.46Å; A1060-E1062 VanDerWaalsContact C-N 3.27Å; A1060-E1062 PolarHBondContact O-N 3.35Å; A1060-S1063 PolarHBondContact O-N 3.36Å; A1060-V1064 WeakPolarHBondContact O-CG1 3.45Å; A1060-V1064 VanDerWaalsContact O-CG2 3.32Å; A1060-V1064 WeakPolarHBondContact O-CG2 3.48Å; A1060-V1064 PolarHBondContact O-N 3.17Å; A1060-I1072 HydrophobicContact CB-CD1 4.41Å
1061V97.9Very high97.5Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-56.5-41176.6171.80000111.4I1057 Q1058 S1063 Q1069 I1072 K1095 N1099 V1100I1057-V1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-V1061 PolarHBondContact O-N 2.86Å; Q1058-V1061 PolarHBondContact O-N 2.99Å; V1061-S1063 VanDerWaalsContact C-N 3.26Å; V1061-S1063 PolarHBondContact O-N 3.03Å; V1061-Q1069 PolarHBondContact O-NE2 3.01Å; V1061-I1072 HydrophobicContact CG2-CG2 4.05Å; V1061-K1095 HydrophobicContact CB-CG 4.46Å; V1061-K1095 HydrophobicContact CG1-CG 4.37Å; V1061-N1099 HydrophobicContact CG1-CB 3.91Å; V1061-V1100 HydrophobicContact CG1-CG2 4.1Å
1062E97.6Very high97.4Very high70 Ų7036.5 Ų36.533%0.32718%0.182SC..Hα-helixtrans-66.2-19.1175.7-68.3172162.400114.7Q1058 K1059 A1060 K1095Q1058-E1062 WeakPolarHBondContact O-CG 3.46Å; Q1058-E1062 PolarHBondContact O-N 3.08Å; Q1058-E1062 VanDerWaalsContact O-N 3.1Å; K1059-E1062 VanDerWaalsContact CE-OE2 3.25Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.32Å; K1059-E1062 IonicContact NZ-OE2 3.89Å; K1059-E1062 PolarHBondContact NZ-OE2 3.17Å; A1060-E1062 VanDerWaalsContact C-N 3.27Å; A1060-E1062 PolarHBondContact O-N 3.35Å; E1062-K1095 HydrophobicContact CG-CD 3.68Å; E1062-K1095 HydrophobicContact CG-CG 4.24Å; E1062-K1095 WeakPolarHBondContact OE1-CD 3.25Å; E1062-K1095 WeakPolarHBondContact OE1-CE 3.32Å; E1062-K1095 IonicContact OE1-NZ 3.55Å; E1062-K1095 PolarHBondContact OE1-NZ 3.41Å
1063S96.4Very high97.4Very high28 Ų2834 Ų3420%0.19617%0.172CC..Hα-helixtrans-128.1-6.6-162.3-47.30000116.5F1025 K1033 K1059 A1060 V1061F1025-S1063 WeakPolarHBondContact O-CB 3.33Å; F1025-S1063 PolarHBondContact O-OG 3.44Å; K1033-S1063 WeakPolarHBondContact CD-O 3.21Å; K1059-S1063 VanDerWaalsContact O-CB 3.22Å; K1059-S1063 WeakPolarHBondContact O-CB 3.24Å; K1059-S1063 PolarHBondContact O-N 3.18Å; K1059-S1063 PolarHBondContact O-OG 2.67Å; A1060-S1063 PolarHBondContact O-N 3.36Å; V1061-S1063 VanDerWaalsContact C-N 3.26Å; V1061-S1063 PolarHBondContact O-N 3.03Å
1064V96.5Very high97.3Very high10 Ų1040.1 Ų40.16%0.06120%0.198CC..SBendtrans-101.9156.3179-58.80000111.8F1025 A1037 A1060 M1068 Q1069 I1072F1025-V1064 HydrophobicContact CD1-CG1 3.98Å; F1025-V1064 HydrophobicContact CE1-CG1 3.78Å; A1037-V1064 HydrophobicContact CB-CG1 4.17Å; A1060-V1064 WeakPolarHBondContact O-CG1 3.45Å; A1060-V1064 VanDerWaalsContact O-CG2 3.32Å; A1060-V1064 WeakPolarHBondContact O-CG2 3.48Å; A1060-V1064 PolarHBondContact O-N 3.17Å; V1064-M1068 HydrophobicContact CB-CB 4.01Å; V1064-M1068 HydrophobicContact CB-CG 4.02Å; V1064-M1068 HydrophobicContact CG1-CG 4.41Å; V1064-M1068 HydrophobicContact CG2-CB 3.75Å; V1064-M1068 HydrophobicContact CG2-CG 3.83Å; V1064-Q1069 HydrophobicContact CG2-CG 3.79Å; V1064-I1072 HydrophobicContact CG2-CD1 3.99Å
1065P95.6Very high97.3Very high87 Ų8742.6 Ų42.657%0.56521%0.21SC*.  trans-59.2152.7174.6-2434.8000113.2E1067 M1068 Q1069P1065-E1067 VanDerWaalsContact C-N 3.35Å; P1065-E1067 PolarHBondContact O-N 3.27Å; P1065-M1068 WeakPolarHBondContact O-CA 3.4Å; P1065-M1068 VanDerWaalsContact O-CB 3.3Å; P1065-M1068 WeakPolarHBondContact O-CB 3.32Å; P1065-M1068 PolarHBondContact O-N 2.79Å; P1065-Q1069 PolarHBondContact O-N 3.4Å
1066L96.4Very high97.3Very high75 Ų7537.8 Ų37.839%0.39319%0.192SC..Hα-helixtrans-49.2-45.5-175.1175.157.8000114.7M1068 Q1069 I1070 P1101L1066-M1068 PolarHBondContact O-N 2.79Å; L1066-Q1069 WeakPolarHBondContact O-CB 3.46Å; L1066-Q1069 PolarHBondContact O-N 3.36Å; L1066-Q1069 VanDerWaalsContact O-N 3.1Å; L1066-I1070 HydrophobicContact CD1-CD1 3.81Å; L1066-I1070 HydrophobicContact CD1-CG1 3.93Å; L1066-I1070 HydrophobicContact CG-CD1 3.82Å; L1066-I1070 HydrophobicContact CG-CG1 4.43Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.16Å; L1066-I1070 VanDerWaalsContact O-CG1 3.25Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; L1066-I1070 PolarHBondContact O-N 2.86Å; L1066-P1101 VanDerWaalsContact CD1-CD 3.4Å; L1066-P1101 HydrophobicContact CD1-CG 3.81Å; L1066-P1101 HydrophobicContact CD2-CG 4.23Å
1067E95.7Very high97.2Very high168 Ų16842.5 Ų42.579%0.78522%0.217SC*.Hα-helixtrans-53.5-39.6176.1-174-173.1179.600112.3P1065 S1071P1065-E1067 VanDerWaalsContact C-N 3.35Å; P1065-E1067 PolarHBondContact O-N 3.27Å; E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 VanDerWaalsContact O-N 3.09Å
1068M95.1Very high97.2Very high21 Ų2146.4 Ų46.410%0.10326%0.257CS..Hα-helixtrans-77.5-37.3178.9-167.762.86600112Q1034 A1037 Q1038 V1064 P1065 L1066 I1070 S1071 I1072Q1034-M1068 HydrophobicContact CG-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CE 4.11Å; A1037-M1068 HydrophobicContact CB-CG 3.37Å; A1037-M1068 HydrophobicContact CB-SD 3.53Å; A1037-M1068 VanDerWaalsContact CB-SD 3.53Å; Q1038-M1068 HydrophobicContact CG-CE 4.49Å; V1064-M1068 HydrophobicContact CB-CB 4.01Å; V1064-M1068 HydrophobicContact CB-CG 4.02Å; V1064-M1068 HydrophobicContact CG1-CG 4.41Å; V1064-M1068 HydrophobicContact CG2-CB 3.75Å; V1064-M1068 HydrophobicContact CG2-CG 3.83Å; P1065-M1068 WeakPolarHBondContact O-CA 3.4Å; P1065-M1068 VanDerWaalsContact O-CB 3.3Å; P1065-M1068 WeakPolarHBondContact O-CB 3.32Å; P1065-M1068 PolarHBondContact O-N 2.79Å; L1066-M1068 PolarHBondContact O-N 2.79Å; M1068-I1070 VanDerWaalsContact C-N 3.32Å; M1068-I1070 PolarHBondContact O-N 2.73Å; M1068-S1071 PolarHBondContact O-N 3.4Å; M1068-I1072 HydrophobicContact CG-CD1 4.21Å; M1068-I1072 WeakPolarHBondContact O-CD1 3.42Å; M1068-I1072 VanDerWaalsContact O-CG1 3.28Å; M1068-I1072 WeakPolarHBondContact O-CG1 3.48Å; M1068-I1072 PolarHBondContact O-N 2.84Å
1069Q97.2Very high97.1Very high22 Ų2246.2 Ų46.210%0.10326%0.258CS..Hα-helixtrans-55.9-49.7170.8-61.8177-38.500110V1061 V1064 P1065 L1066 S1071 I1072 V1073 V1100V1061-Q1069 PolarHBondContact O-NE2 3.01Å; V1064-Q1069 HydrophobicContact CG2-CG 3.79Å; P1065-Q1069 PolarHBondContact O-N 3.4Å; L1066-Q1069 WeakPolarHBondContact O-CB 3.46Å; L1066-Q1069 PolarHBondContact O-N 3.36Å; L1066-Q1069 VanDerWaalsContact O-N 3.1Å; Q1069-S1071 VanDerWaalsContact C-N 3.31Å; Q1069-S1071 PolarHBondContact O-N 2.81Å; Q1069-I1072 PolarHBondContact O-N 3.3Å; Q1069-I1072 VanDerWaalsContact O-N 3.11Å; Q1069-V1073 WeakPolarHBondContact O-CG2 3.41Å; Q1069-V1073 PolarHBondContact O-N 3.02Å; Q1069-V1100 HydrophobicContact CB-CG2 3.85Å
1070I97.3Very high97.1Very high27 Ų2744.4 Ų44.414%0.13825%0.251CS..Hα-helixtrans-58.7-42.2177.7-62.5159.6000111L1066 M1068 I1072 K1074 V1100 H1104L1066-I1070 HydrophobicContact CD1-CD1 3.81Å; L1066-I1070 HydrophobicContact CD1-CG1 3.93Å; L1066-I1070 HydrophobicContact CG-CD1 3.82Å; L1066-I1070 HydrophobicContact CG-CG1 4.43Å; L1066-I1070 WeakPolarHBondContact O-CD1 3.16Å; L1066-I1070 VanDerWaalsContact O-CG1 3.25Å; L1066-I1070 WeakPolarHBondContact O-CG1 3.39Å; L1066-I1070 PolarHBondContact O-N 2.86Å; M1068-I1070 VanDerWaalsContact C-N 3.32Å; M1068-I1070 PolarHBondContact O-N 2.73Å; I1070-I1072 VanDerWaalsContact C-N 3.34Å; I1070-I1072 PolarHBondContact O-N 3.05Å; I1070-K1074 HydrophobicContact CG2-CD 3.88Å; I1070-K1074 HydrophobicContact CG2-CG 4.41Å; I1070-K1074 WeakPolarHBondContact O-CB 3.47Å; I1070-K1074 VanDerWaalsContact O-CG 3.29Å; I1070-K1074 WeakPolarHBondContact O-CG 3.25Å; I1070-K1074 PolarHBondContact O-N 3.31Å; I1070-V1100 HydrophobicContact CG1-CG1 4.46Å; I1070-H1104 WeakPolarHBondContact CD1-CD2 3.1Å; I1070-H1104 VanDerWaalsContact CD1-NE2 3.32Å; I1070-H1104 WeakPolarHBondContact CD1-NE2 3.38Å; I1070-H1104 HydrophobicContact CG1-CB 4.22Å; I1070-H1104 VanDerWaalsContact CG1-CD2 3.42Å; I1070-H1104 WeakPolarHBondContact CG1-CD2 3.33Å
1071S96.5Very high97.1Very high33 Ų3346.4 Ų46.423%0.23126%0.261CS..Hα-helixtrans-65.9-33.7177-171.50000113.3E1067 M1068 Q1069E1067-S1071 PolarHBondContact O-N 3.49Å; E1067-S1071 VanDerWaalsContact O-N 3.09Å; M1068-S1071 PolarHBondContact O-N 3.4Å; Q1069-S1071 VanDerWaalsContact C-N 3.31Å; Q1069-S1071 PolarHBondContact O-N 2.81Å
1072I97Very high97.1Very high4 Ų450.3 Ų50.32%0.02128%0.278CS..Hα-helixtrans-71.8-49.3175.9-67.8161.1000109.7I1040 V1044 I1057 A1060 V1061 V1064 M1068 Q1069 I1070 K1074 E1075I1040-I1072 HydrophobicContact CD1-CD1 3.74Å; I1040-I1072 HydrophobicContact CD1-CG1 3.94Å; V1044-I1072 HydrophobicContact CG1-CG2 3.79Å; V1044-I1072 HydrophobicContact CG2-CB 4.49Å; V1044-I1072 HydrophobicContact CG2-CG2 3.98Å; I1057-I1072 HydrophobicContact CG2-CG2 4.19Å; A1060-I1072 HydrophobicContact CB-CD1 4.41Å; V1061-I1072 HydrophobicContact CG2-CG2 4.05Å; V1064-I1072 HydrophobicContact CG2-CD1 3.99Å; M1068-I1072 HydrophobicContact CG-CD1 4.21Å; M1068-I1072 WeakPolarHBondContact O-CD1 3.42Å; M1068-I1072 VanDerWaalsContact O-CG1 3.28Å; M1068-I1072 WeakPolarHBondContact O-CG1 3.48Å; M1068-I1072 PolarHBondContact O-N 2.84Å; Q1069-I1072 PolarHBondContact O-N 3.3Å; Q1069-I1072 VanDerWaalsContact O-N 3.11Å; I1070-I1072 VanDerWaalsContact C-N 3.34Å; I1070-I1072 PolarHBondContact O-N 3.05Å; I1072-K1074 VanDerWaalsContact C-N 3.33Å; I1072-K1074 PolarHBondContact O-N 2.67Å; I1072-E1075 PolarHBondContact O-N 3.03Å; I1072-E1075 VanDerWaalsContact O-N 3.14Å
1073V97.4Very high97.1Very high2 Ų247 Ų471%0.01226%0.263CS..Hα-helixtrans-64.4-36.5-176174.70000111.8Q1069 E1075 L1076 C1096 V1100 L1105 F1107 I1108Q1069-V1073 WeakPolarHBondContact O-CG2 3.41Å; Q1069-V1073 PolarHBondContact O-N 3.02Å; V1073-E1075 PolarHBondContact O-N 2.76Å; V1073-L1076 WeakPolarHBondContact O-CB 3.44Å; V1073-L1076 PolarHBondContact O-N 3.42Å; V1073-C1096 HydrophobicContact CG1-CB 4.29Å; V1073-C1096 HydrophobicContact CG2-CB 3.89Å; V1073-C1096 VanDerWaalsContact CG2-SG 3.58Å; V1073-V1100 HydrophobicContact CG2-CG2 3.93Å; V1073-L1105 HydrophobicContact CG1-CD2 4.22Å; V1073-F1107 HydrophobicContact CG1-CE1 3.86Å; V1073-F1107 HydrophobicContact CG1-CZ 3.69Å; V1073-F1107 WeakPolarHBondContact O-CZ 3.38Å; V1073-I1108 HydrophobicContact CG1-CD1 4.35Å
1074K97.4Very high97.2Very high127 Ų12745.7 Ų45.755%0.55225%0.253SS*.G310 helixtrans-63.4-19.1175.4-77.6175.9177.4174.60114.9I1070 I1072 L1076 D1077I1070-K1074 HydrophobicContact CG2-CD 3.88Å; I1070-K1074 HydrophobicContact CG2-CG 4.41Å; I1070-K1074 WeakPolarHBondContact O-CB 3.47Å; I1070-K1074 VanDerWaalsContact O-CG 3.29Å; I1070-K1074 WeakPolarHBondContact O-CG 3.25Å; I1070-K1074 PolarHBondContact O-N 3.31Å; I1072-K1074 VanDerWaalsContact C-N 3.33Å; I1072-K1074 PolarHBondContact O-N 2.67Å; K1074-L1076 PolarHBondContact O-N 3.37Å; K1074-D1077 WeakPolarHBondContact O-CB 3.37Å; K1074-D1077 PolarHBondContact O-N 3.32Å
1075E97.8Very high97.3Very high53 Ų5348.8 Ų48.825%0.24827%0.266CS..G310 helixtrans-75.3-6.4171.6-74.6-174.2-15000113.6R1041 G1042 Q1043 V1044 I1072 V1073R1041-E1075 WeakPolarHBondContact CA-OE1 3.5Å; R1041-E1075 WeakPolarHBondContact CG-OE1 3.28Å; G1042-E1075 VanDerWaalsContact CA-OE2 3.3Å; G1042-E1075 WeakPolarHBondContact CA-OE2 3.23Å; G1042-E1075 PolarHBondContact N-OE1 3.1Å; G1042-E1075 PolarHBondContact N-OE2 3.22Å; Q1043-E1075 PolarHBondContact N-OE2 3.06Å; V1044-E1075 HydrophobicContact CB-CB 3.77Å; V1044-E1075 HydrophobicContact CB-CG 4.49Å; V1044-E1075 WeakPolarHBondContact CB-OE2 3.5Å; V1044-E1075 HydrophobicContact CG1-CB 4.37Å; V1044-E1075 HydrophobicContact CG2-CB 4.12Å; V1044-E1075 HydrophobicContact CG2-CG 4.38Å; V1044-E1075 VanDerWaalsContact CG2-OE2 3.28Å; V1044-E1075 WeakPolarHBondContact CG2-OE2 3.44Å; V1044-E1075 PolarHBondContact N-OE2 3.28Å; I1072-E1075 PolarHBondContact O-N 3.03Å; I1072-E1075 VanDerWaalsContact O-N 3.14Å; V1073-E1075 PolarHBondContact O-N 2.76Å
1076L98.1Very high97.4Very high1 Ų146.5 Ų46.51%0.00525%0.249CC..G310 helixtrans-93.3-2.2172.9-56.3180000113.1V1044 V1073 K1074 C1079 V1080 V1092V1044-L1076 HydrophobicContact CG1-CD2 4.01Å; V1044-L1076 HydrophobicContact CG1-CG 4.32Å; V1073-L1076 WeakPolarHBondContact O-CB 3.44Å; V1073-L1076 PolarHBondContact O-N 3.42Å; K1074-L1076 PolarHBondContact O-N 3.37Å; L1076-C1079 VanDerWaalsContact C-SG 3.51Å; L1076-C1079 PolarHBondContact O-N 2.9Å; L1076-C1079 PolarHBondContact O-SG 3.41Å; L1076-V1080 VanDerWaalsContact O-CG2 3.28Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.45Å; L1076-V1080 PolarHBondContact O-N 3.47Å; L1076-V1080 VanDerWaalsContact O-N 3.07Å; L1076-V1092 HydrophobicContact CD1-CG1 3.9Å
1077D97.9Very high97.5Very high99 Ų9948.5 Ų48.553%0.52926%0.256SS..THydrogen-bonded Turntrans-63.1149.5175.7-162.92.9000111.2K1074 C1079 F1107K1074-D1077 WeakPolarHBondContact O-CB 3.37Å; K1074-D1077 PolarHBondContact O-N 3.32Å; D1077-C1079 PolarHBondContact O-N 2.9Å; D1077-F1107 HydrophobicContact CB-CD2 3.69Å; D1077-F1107 HydrophobicContact CB-CE2 3.87Å; D1077-F1107 HydrophobicContact CB-CG 4.34Å; D1077-F1107 WeakPolarHBondContact OD1-CD2 3.46Å
1078G97Very high97.6Very high81 Ų8141.2 Ų41.284%0.83522%0.223SC*.THydrogen-bonded Turntrans63.8-9.2-171.900000116
1079C97.4Very high97.8Very high21 Ų2140.2 Ų40.214%0.14222%0.218CC..THydrogen-bonded Turntrans-1274.5-178.162.90000114.9L1045 L1076 D1077 I1081 K1082 C1083L1045-C1079 HydrophobicContact CD1-CB 4.29Å; L1045-C1079 HydrophobicContact CD2-CB 4.14Å; L1076-C1079 VanDerWaalsContact C-SG 3.51Å; L1076-C1079 PolarHBondContact O-N 2.9Å; L1076-C1079 PolarHBondContact O-SG 3.41Å; D1077-C1079 PolarHBondContact O-N 2.9Å; C1079-I1081 PolarHBondContact O-N 2.85Å; C1079-K1082 WeakPolarHBondContact O-CA 3.32Å; C1079-K1082 WeakPolarHBondContact O-CB 3.42Å; C1079-K1082 PolarHBondContact O-N 2.9Å; C1079-C1083 PolarHBondContact O-N 3.17Å; C1079-C1083 VanDerWaalsContact O-N 3.13Å
1080V98.4Very high97.8Very high3 Ų339.2 Ų39.22%0.01821%0.213CC..Hα-helixtrans-40.7-56.5176.7-178.90000113L1076 K1082 C1083 V1084 F1107 I1108 A1111 F1112L1076-V1080 VanDerWaalsContact O-CG2 3.28Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.45Å; L1076-V1080 PolarHBondContact O-N 3.47Å; L1076-V1080 VanDerWaalsContact O-N 3.07Å; V1080-K1082 VanDerWaalsContact C-N 3.27Å; V1080-K1082 PolarHBondContact O-N 3.29Å; V1080-C1083 WeakPolarHBondContact O-CA 3.41Å; V1080-C1083 WeakPolarHBondContact O-CB 3.37Å; V1080-C1083 PolarHBondContact O-N 3.34Å; V1080-V1084 HydrophobicContact CG1-CG2 4.08Å; V1080-V1084 VanDerWaalsContact O-CG2 3.31Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; V1080-V1084 PolarHBondContact O-N 3.32Å; V1080-F1107 HydrophobicContact CG2-CD2 3.78Å; V1080-F1107 HydrophobicContact CG2-CE2 3.61Å; V1080-I1108 HydrophobicContact CG1-CB 4.38Å; V1080-I1108 HydrophobicContact CG1-CG2 3.83Å; V1080-I1108 HydrophobicContact CG2-CG1 4.3Å; V1080-A1111 HydrophobicContact CB-CB 3.86Å; V1080-A1111 HydrophobicContact CG1-CB 4.16Å; V1080-A1111 HydrophobicContact CG2-CB 4.11Å; V1080-F1112 HydrophobicContact CG1-CD2 4.34Å; V1080-F1112 HydrophobicContact CG1-CE2 3.84Å
1081I97.8Very high97.9Very high42 Ų4240.5 Ų40.522%0.21522%0.219CC..Hα-helixtrans-63.2-31.2-176.3-62.9-55.9000112.9C1079 K1085 A1111 F1112 I1119C1079-I1081 PolarHBondContact O-N 2.85Å; I1081-K1085 HydrophobicContact CG2-CD 4.31Å; I1081-K1085 WeakPolarHBondContact O-CB 3.36Å; I1081-K1085 PolarHBondContact O-N 3.38Å; I1081-K1085 VanDerWaalsContact O-N 3.08Å; I1081-A1111 WeakPolarHBondContact CD1-O 3.35Å; I1081-A1111 WeakPolarHBondContact CG1-O 3.47Å; I1081-F1112 HydrophobicContact CD1-CD2 3.8Å; I1081-F1112 HydrophobicContact CD1-CE2 4Å; I1081-I1119 HydrophobicContact CD1-CD1 3.46Å; I1081-I1119 VanDerWaalsContact CD1-CD1 3.46Å; I1081-I1119 HydrophobicContact CD1-CG1 4.2Å
1082K98Very high98Very high82 Ų8239 Ų3936%0.35721%0.208SC..Hα-helixtrans-68.4-39.4173157172.5167.7164.40111.3Y406 L1049 C1079 V1080 D1086Y406-K1082 WeakPolarHBondContact OH-CD 3.39Å; Y406-K1082 WeakPolarHBondContact OH-CE 3.41Å; Y406-K1082 PolarHBondContact OH-NZ 2.92Å; L1049-K1082 VanDerWaalsContact CD1-CE 3.42Å; C1079-K1082 WeakPolarHBondContact O-CA 3.32Å; C1079-K1082 WeakPolarHBondContact O-CB 3.42Å; C1079-K1082 PolarHBondContact O-N 2.9Å; V1080-K1082 VanDerWaalsContact C-N 3.27Å; V1080-K1082 PolarHBondContact O-N 3.29Å; K1082-D1086 WeakPolarHBondContact O-CB 3.37Å; K1082-D1086 PolarHBondContact O-N 3.47Å
1083C98.5Very high98.1Very high1 Ų138.9 Ų38.91%0.00721%0.207CC..Hα-helixtrans-68.6-44.6173.2-65.40000112L1045 C1079 V1080 K1085 D1086 G1089 N1090 V1093L1045-C1083 WeakPolarHBondContact CD1-SG 3.4Å; C1079-C1083 PolarHBondContact O-N 3.17Å; C1079-C1083 VanDerWaalsContact O-N 3.13Å; V1080-C1083 WeakPolarHBondContact O-CA 3.41Å; V1080-C1083 WeakPolarHBondContact O-CB 3.37Å; V1080-C1083 PolarHBondContact O-N 3.34Å; C1083-K1085 VanDerWaalsContact C-N 3.27Å; C1083-K1085 PolarHBondContact O-N 3.12Å; C1083-D1086 PolarHBondContact O-N 3.01Å; C1083-G1089 CarbonylContact O-C 3.06Å; C1083-G1089 WeakPolarHBondContact O-CA 3.41Å; C1083-N1090 PolarHBondContact O-N 3.24Å; C1083-V1093 HydrophobicContact CB-CG2 3.7Å
1084V98.6Very high98.2Very high0 Ų039.4 Ų39.40%021%0.21CC..Hα-helixtrans-60.9-33.2179.5170.10000112.8V1080 V1093 F1112 I1119 V1128V1080-V1084 HydrophobicContact CG1-CG2 4.08Å; V1080-V1084 VanDerWaalsContact O-CG2 3.31Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; V1080-V1084 PolarHBondContact O-N 3.32Å; V1084-V1093 HydrophobicContact CG2-CB 4.29Å; V1084-V1093 HydrophobicContact CG2-CG1 3.98Å; V1084-V1093 HydrophobicContact CG2-CG2 4.16Å; V1084-F1112 HydrophobicContact CG1-CZ 4.09Å; V1084-F1112 HydrophobicContact CG2-CE2 3.78Å; V1084-F1112 HydrophobicContact CG2-CZ 3.77Å; V1084-I1119 HydrophobicContact CG1-CG2 3.82Å; V1084-V1128 HydrophobicContact CG1-CB 4.4Å; V1084-V1128 HydrophobicContact CG1-CG2 3.98Å; V1084-V1128 HydrophobicContact CG2-CG1 4.28Å; V1084-V1128 HydrophobicContact CG2-CG2 4.22Å
1085K97.8Very high98.2Very high76 Ų7634.9 Ų34.933%0.3319%0.19SC..THydrogen-bonded Turntrans-89.7-3.1176.7-66.2-173.9173.5-1790114I1081 C1083 S1118 H1122I1081-K1085 HydrophobicContact CG2-CD 4.31Å; I1081-K1085 WeakPolarHBondContact O-CB 3.36Å; I1081-K1085 PolarHBondContact O-N 3.38Å; I1081-K1085 VanDerWaalsContact O-N 3.08Å; C1083-K1085 VanDerWaalsContact C-N 3.27Å; C1083-K1085 PolarHBondContact O-N 3.12Å; K1085-S1118 PolarHBondContact NZ-OG 2.73Å; K1085-H1122 PolarHBondContact O-CE1 2.98Å
1086D98.4Very high98.2Very high38 Ų3832.4 Ų32.420%0.20318%0.178CC..SBendtrans-91.1149.1174.8177.158.1000113.2L1049 K1082 C1083 N1088 G1089 N1090 Y1124L1049-D1086 HydrophobicContact CD2-CB 3.54Å; L1049-D1086 WeakPolarHBondContact CD2-OD2 3.32Å; K1082-D1086 WeakPolarHBondContact O-CB 3.37Å; K1082-D1086 PolarHBondContact O-N 3.47Å; C1083-D1086 PolarHBondContact O-N 3.01Å; D1086-N1088 VanDerWaalsContact C-N 3.29Å; D1086-N1088 PolarHBondContact O-N 3.04Å; D1086-N1088 WeakPolarHBondContact OD2-CA 3.39Å; D1086-N1088 VanDerWaalsContact OD2-CB 3.32Å; D1086-N1088 WeakPolarHBondContact OD2-CB 3.32Å; D1086-N1088 PolarHBondContact OD2-N 2.93Å; D1086-G1089 PolarHBondContact OD2-N 2.96Å; D1086-N1090 WeakPolarHBondContact O-CB 3.24Å; D1086-N1090 PolarHBondContact O-N 3.35Å; D1086-N1090 PolarHBondContact O-ND2 2.99Å; D1086-Y1124 WeakPolarHBondContact O-CD2 3.48Å
1087Q97.9Very high98.3Very high117 Ų11732.5 Ų32.555%0.54718%0.179SC..THydrogen-bonded Turntrans-65.9-25.3-179.266.1-177.1-13.700114.1N1090 H1091 Y1124Q1087-N1090 VanDerWaalsContact C-ND2 3.29Å; Q1087-N1090 PolarHBondContact O-ND2 2.98Å; Q1087-H1091 PolarHBondContact O-CD2 3.27Å; Q1087-Y1124 HydrophobicContact CB-CE2 3.91Å
1088N98.2Very high98.3Very high15 Ų1530.9 Ų30.98%0.0817%0.169CC..THydrogen-bonded Turntrans-103-45.8178.2-59.9-50.7000110.8S1048 L1049 M1051 C1054 D1086 N1090 H1091S1048-N1088 CarbonylContact O-C 3.32Å; S1048-N1088 WeakPolarHBondContact O-CB 3.16Å; L1049-N1088 PolarHBondContact O-ND2 3.16Å; M1051-N1088 PolarHBondContact N-ND2 2.96Å; C1054-N1088 HydrophobicContact CB-CB 3.87Å; D1086-N1088 VanDerWaalsContact C-N 3.29Å; D1086-N1088 PolarHBondContact O-N 3.04Å; D1086-N1088 WeakPolarHBondContact OD2-CA 3.39Å; D1086-N1088 VanDerWaalsContact OD2-CB 3.32Å; D1086-N1088 WeakPolarHBondContact OD2-CB 3.32Å; D1086-N1088 PolarHBondContact OD2-N 2.93Å; N1088-N1090 VanDerWaalsContact C-N 3.29Å; N1088-N1090 PolarHBondContact O-N 2.73Å; N1088-H1091 WeakPolarHBondContact O-CB 3.35Å; N1088-H1091 PolarHBondContact O-N 2.68Å; N1088-H1091 VanDerWaalsContact O-N 3.11Å
1089G98.6Very high98.3Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-59.8-33.7-176.500000113.9S1048 C1083 D1086 H1091 V1092 V1093S1048-G1089 WeakPolarHBondContact O-CA 3.35Å; S1048-G1089 PolarHBondContact O-N 3.32Å; C1083-G1089 CarbonylContact O-C 3.06Å; C1083-G1089 WeakPolarHBondContact O-CA 3.41Å; D1086-G1089 PolarHBondContact OD2-N 2.96Å; G1089-H1091 PolarHBondContact O-N 3.03Å; G1089-V1092 PolarHBondContact O-N 3.12Å; G1089-V1092 VanDerWaalsContact O-N 3.09Å; G1089-V1093 PolarHBondContact O-N 3.27Å
1090N98.6Very high98.4Very high1 Ų129.2 Ų29.21%0.00514%0.139CC..Hα-helixtrans-61.6-32.4178.578.592.8000112.3C1083 D1086 Q1087 N1088 Q1094 Y1124 V1128C1083-N1090 PolarHBondContact O-N 3.24Å; D1086-N1090 WeakPolarHBondContact O-CB 3.24Å; D1086-N1090 PolarHBondContact O-N 3.35Å; D1086-N1090 PolarHBondContact O-ND2 2.99Å; Q1087-N1090 VanDerWaalsContact C-ND2 3.29Å; Q1087-N1090 PolarHBondContact O-ND2 2.98Å; N1088-N1090 VanDerWaalsContact C-N 3.29Å; N1088-N1090 PolarHBondContact O-N 2.73Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.3Å; N1090-Q1094 VanDerWaalsContact O-CG 3.29Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.38Å; N1090-Q1094 PolarHBondContact O-N 3.41Å; N1090-Q1094 PolarHBondContact O-NE2 3.23Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.8Å; N1090-Y1124 HydrophobicContact CB-CG 4.46Å; N1090-V1128 HydrophobicContact CB-CG2 4.42Å
1091H98.7Very high98.4Very high55 Ų5530.9 Ų30.926%0.25515%0.15SC..Hα-helixtrans-73-33.6176.9-70.6-71.5000112Q1087 N1088 G1089 K1095Q1087-H1091 PolarHBondContact O-CD2 3.27Å; N1088-H1091 WeakPolarHBondContact O-CB 3.35Å; N1088-H1091 PolarHBondContact O-N 2.68Å; N1088-H1091 VanDerWaalsContact O-N 3.11Å; G1089-H1091 PolarHBondContact O-N 3.03Å; H1091-K1095 WeakPolarHBondContact O-CB 3.36Å; H1091-K1095 PolarHBondContact O-N 2.96Å
1092V98.7Very high98.4Very high1 Ų130.3 Ų30.31%0.00615%0.149CC..Hα-helixtrans-66-49.3171.9178.10000110.3C1054 I1057 Q1058 L1076 G1089 Q1094 K1095 C1096C1054-V1092 HydrophobicContact CB-CG2 3.98Å; I1057-V1092 HydrophobicContact CB-CG2 4.23Å; I1057-V1092 HydrophobicContact CG2-CG1 3.62Å; I1057-V1092 HydrophobicContact CG2-CG2 4.21Å; Q1058-V1092 HydrophobicContact CG-CG2 4.34Å; L1076-V1092 HydrophobicContact CD1-CG1 3.9Å; G1089-V1092 PolarHBondContact O-N 3.12Å; G1089-V1092 VanDerWaalsContact O-N 3.09Å; V1092-Q1094 PolarHBondContact O-N 3.37Å; V1092-K1095 WeakPolarHBondContact O-CA 3.25Å; V1092-K1095 WeakPolarHBondContact O-CB 3.26Å; V1092-K1095 PolarHBondContact O-N 2.86Å; V1092-C1096 PolarHBondContact O-N 2.98Å; V1092-C1096 PolarHBondContact O-SG 2.9Å
1093V98.7Very high98.3Very high1 Ų132.5 Ų32.51%0.00616%0.161CC..Hα-helixtrans-62.4-41.3-179-1780000111.7C1083 V1084 G1089 K1095 C1096 V1097 I1108 V1128C1083-V1093 HydrophobicContact CB-CG2 3.7Å; V1084-V1093 HydrophobicContact CG2-CB 4.29Å; V1084-V1093 HydrophobicContact CG2-CG1 3.98Å; V1084-V1093 HydrophobicContact CG2-CG2 4.16Å; G1089-V1093 PolarHBondContact O-N 3.27Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 3.26Å; V1093-C1096 WeakPolarHBondContact O-CB 3.07Å; V1093-C1096 PolarHBondContact O-N 3.1Å; V1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; V1093-V1097 PolarHBondContact O-N 2.85Å; V1093-V1097 VanDerWaalsContact O-N 3.12Å; V1093-I1108 HydrophobicContact CG1-CD1 4.42Å; V1093-I1108 HydrophobicContact CG1-CG2 4.07Å; V1093-V1128 HydrophobicContact CB-CG1 4.42Å; V1093-V1128 HydrophobicContact CG1-CG1 3.64Å
1094Q98.7Very high98.3Very high14 Ų1435.3 Ų35.37%0.06517%0.174CC..Hα-helixtrans-57.1-47.3170.7-75167.899.200111.3N1090 V1092 C1096 V1097 E1098 V1128 R1131N1090-Q1094 WeakPolarHBondContact O-CB 3.3Å; N1090-Q1094 VanDerWaalsContact O-CG 3.29Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.38Å; N1090-Q1094 PolarHBondContact O-N 3.41Å; N1090-Q1094 PolarHBondContact O-NE2 3.23Å; N1090-Q1094 PolarHBondContact OD1-NE2 2.8Å; V1092-Q1094 PolarHBondContact O-N 3.37Å; Q1094-C1096 VanDerWaalsContact C-N 3.33Å; Q1094-C1096 PolarHBondContact O-N 2.83Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; Q1094-V1097 VanDerWaalsContact O-N 3.08Å; Q1094-E1098 VanDerWaalsContact O-CG 3.3Å; Q1094-E1098 WeakPolarHBondContact O-CG 3.49Å; Q1094-E1098 PolarHBondContact O-N 3.38Å; Q1094-V1128 HydrophobicContact CG-CG2 4.1Å; Q1094-R1131 HydrophobicContact CB-CG 3.87Å; Q1094-R1131 HydrophobicContact CG-CG 3.66Å
1095K98.6Very high98.3Very high32 Ų3235.4 Ų35.414%0.13917%0.174CC..Hα-helixtrans-64.1-35.5-179.4-170.356.661.9176.50113.4Q1058 V1061 E1062 H1091 V1092 V1093 E1098 N1099Q1058-K1095 HydrophobicContact CB-CB 4.49Å; Q1058-K1095 HydrophobicContact CB-CG 4.15Å; Q1058-K1095 HydrophobicContact CG-CB 3.89Å; Q1058-K1095 HydrophobicContact CG-CG 4.1Å; V1061-K1095 HydrophobicContact CB-CG 4.46Å; V1061-K1095 HydrophobicContact CG1-CG 4.37Å; E1062-K1095 HydrophobicContact CG-CD 3.68Å; E1062-K1095 HydrophobicContact CG-CG 4.24Å; E1062-K1095 WeakPolarHBondContact OE1-CD 3.25Å; E1062-K1095 WeakPolarHBondContact OE1-CE 3.32Å; E1062-K1095 IonicContact OE1-NZ 3.55Å; E1062-K1095 PolarHBondContact OE1-NZ 3.41Å; H1091-K1095 WeakPolarHBondContact O-CB 3.36Å; H1091-K1095 PolarHBondContact O-N 2.96Å; V1092-K1095 WeakPolarHBondContact O-CA 3.25Å; V1092-K1095 WeakPolarHBondContact O-CB 3.26Å; V1092-K1095 PolarHBondContact O-N 2.86Å; V1093-K1095 VanDerWaalsContact C-N 3.34Å; V1093-K1095 PolarHBondContact O-N 3.26Å; K1095-E1098 WeakPolarHBondContact CE-OE2 3.36Å; K1095-E1098 IonicContact NZ-OE2 3.33Å; K1095-E1098 PolarHBondContact NZ-OE2 2.67Å; K1095-E1098 PolarHBondContact O-N 2.75Å; K1095-N1099 WeakPolarHBondContact CD-ND2 3.39Å; K1095-N1099 WeakPolarHBondContact O-CB 3.14Å; K1095-N1099 PolarHBondContact O-N 2.93Å; K1095-N1099 PolarHBondContact O-ND2 3.49Å
1096C98.5Very high98.3Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-60-46.4171.2-58.20000111.1V1073 V1092 V1093 Q1094 N1099 V1100V1073-C1096 HydrophobicContact CG1-CB 4.29Å; V1073-C1096 HydrophobicContact CG2-CB 3.89Å; V1073-C1096 VanDerWaalsContact CG2-SG 3.58Å; V1092-C1096 PolarHBondContact O-N 2.98Å; V1092-C1096 PolarHBondContact O-SG 2.9Å; V1093-C1096 WeakPolarHBondContact O-CB 3.07Å; V1093-C1096 PolarHBondContact O-N 3.1Å; Q1094-C1096 VanDerWaalsContact C-N 3.33Å; Q1094-C1096 PolarHBondContact O-N 2.83Å; C1096-N1099 PolarHBondContact O-N 2.85Å; C1096-V1100 WeakPolarHBondContact O-CB 3.38Å; C1096-V1100 PolarHBondContact O-N 3.14Å
1097V98.5Very high98.3Very high4 Ų435 Ų352%0.02417%0.172CC..Hα-helixtrans-67.7-33.7179.7176.70000112.4V1093 Q1094 L1105 R1131 I1132 H1135V1093-V1097 WeakPolarHBondContact O-CG2 3.21Å; V1093-V1097 PolarHBondContact O-N 2.85Å; V1093-V1097 VanDerWaalsContact O-N 3.12Å; Q1094-V1097 PolarHBondContact O-N 3.44Å; Q1094-V1097 VanDerWaalsContact O-N 3.08Å; V1097-L1105 HydrophobicContact CB-CD1 4.33Å; V1097-L1105 HydrophobicContact CG1-CD1 4.43Å; V1097-L1105 HydrophobicContact CG2-CD1 4.23Å; V1097-R1131 HydrophobicContact CB-CB 4.14Å; V1097-R1131 HydrophobicContact CG1-CB 3.73Å; V1097-R1131 WeakPolarHBondContact CG1-O 3.13Å; V1097-I1132 HydrophobicContact CG1-CG1 4.34Å; V1097-I1132 HydrophobicContact CG2-CG1 4.24Å; V1097-H1135 HydrophobicContact CG1-CB 3.89Å; V1097-H1135 WeakPolarHBondContact O-CB 3.32Å
1098E98.3Very high98.3Very high65 Ų6529.5 Ų29.530%0.30415%0.146SC..Hα-helixtrans-72.5-25.9176.9-70.8162-151.700114.2Q1094 K1095Q1094-E1098 VanDerWaalsContact O-CG 3.3Å; Q1094-E1098 WeakPolarHBondContact O-CG 3.49Å; Q1094-E1098 PolarHBondContact O-N 3.38Å; K1095-E1098 WeakPolarHBondContact CE-OE2 3.36Å; K1095-E1098 IonicContact NZ-OE2 3.33Å; K1095-E1098 PolarHBondContact NZ-OE2 2.67Å; K1095-E1098 PolarHBondContact O-N 2.75Å
1099N98Very high98.3Very high60 Ų6029 Ų2932%0.32114%0.144SC..Hα-helixtrans-126.2-13.5-163.7-79.2-116.2000115.7V1061 K1095 C1096V1061-N1099 HydrophobicContact CG1-CB 3.91Å; K1095-N1099 WeakPolarHBondContact CD-ND2 3.39Å; K1095-N1099 WeakPolarHBondContact O-CB 3.14Å; K1095-N1099 PolarHBondContact O-N 2.93Å; K1095-N1099 PolarHBondContact O-ND2 3.49Å; C1096-N1099 PolarHBondContact O-N 2.85Å
1100V98.2Very high98.2Very high6 Ų633.5 Ų33.54%0.03617%0.168CC..SBendtrans-112.3133.4-177.5-177.30000109.8V1061 Q1069 I1070 V1073 C1096 H1104 L1105V1061-V1100 HydrophobicContact CG1-CG2 4.1Å; Q1069-V1100 HydrophobicContact CB-CG2 3.85Å; I1070-V1100 HydrophobicContact CG1-CG1 4.46Å; V1073-V1100 HydrophobicContact CG2-CG2 3.93Å; C1096-V1100 WeakPolarHBondContact O-CB 3.38Å; C1096-V1100 PolarHBondContact O-N 3.14Å; V1100-H1104 HydrophobicContact CG1-CB 4.01Å; V1100-L1105 HydrophobicContact CB-CD2 4.1Å; V1100-L1105 HydrophobicContact CG1-CD2 4.31Å; V1100-L1105 WeakPolarHBondContact O-CD1 3.4Å
1101P98.2Very high98.2Very high38 Ų3835 Ų3525%0.24718%0.18CC..  trans-50.7134.3-179.7-3036.1000113.6L1066 E1103 H1104L1066-P1101 VanDerWaalsContact CD1-CD 3.4Å; L1066-P1101 HydrophobicContact CD1-CG 3.81Å; L1066-P1101 HydrophobicContact CD2-CG 4.23Å; P1101-E1103 VanDerWaalsContact C-OE2 3.3Å; P1101-E1103 HydrophobicContact CB-CG 4.37Å; P1101-E1103 WeakPolarHBondContact CB-OE1 3.38Å; P1101-E1103 WeakPolarHBondContact CB-OE2 3.35Å; P1101-E1103 PolarHBondContact O-N 3.22Å; P1101-E1103 VanDerWaalsContact O-N 3.1Å; P1101-H1104 PolarHBondContact O-N 3.16Å
1102P98.1Very high98.1Very high31 Ų3132.4 Ų32.420%0.20117%0.168CC..G310 helixtrans-57.2-28.5-170.9-28.837.1000115.9H1104 L1105 H1135 T1137 Q1140P1102-H1104 PolarHBondContact O-N 3.44Å; P1102-H1104 VanDerWaalsContact O-N 3.08Å; P1102-L1105 PolarHBondContact O-N 2.79Å; P1102-H1135 VanDerWaalsContact CG-O 3.25Å; P1102-H1135 WeakPolarHBondContact CG-O 3.46Å; P1102-T1137 HydrophobicContact CB-CG2 3.75Å; P1102-T1137 HydrophobicContact CG-CG2 4.4Å; P1102-Q1140 PolarHBondContact O-NE2 2.81Å
1103E97.5Very high97.9Very high128 Ų12838 Ų3860%0.59819%0.192SC*.G310 helixtrans-61.1-13.8174.365.7-91.6-145.600113.9P1101P1101-E1103 VanDerWaalsContact C-OE2 3.3Å; P1101-E1103 HydrophobicContact CB-CG 4.37Å; P1101-E1103 WeakPolarHBondContact CB-OE1 3.38Å; P1101-E1103 WeakPolarHBondContact CB-OE2 3.35Å; P1101-E1103 PolarHBondContact O-N 3.22Å; P1101-E1103 VanDerWaalsContact O-N 3.1Å
1104H98Very high97.7Very high60 Ų6043.4 Ų43.428%0.27822%0.221SC..G310 helixtrans-104.9-2.5175-58.5-31.5000113.5I1070 V1100 P1101 P1102I1070-H1104 WeakPolarHBondContact CD1-CD2 3.1Å; I1070-H1104 VanDerWaalsContact CD1-NE2 3.32Å; I1070-H1104 WeakPolarHBondContact CD1-NE2 3.38Å; I1070-H1104 HydrophobicContact CG1-CB 4.22Å; I1070-H1104 VanDerWaalsContact CG1-CD2 3.42Å; I1070-H1104 WeakPolarHBondContact CG1-CD2 3.33Å; V1100-H1104 HydrophobicContact CG1-CB 4.01Å; P1101-H1104 PolarHBondContact O-N 3.16Å; P1102-H1104 PolarHBondContact O-N 3.44Å; P1102-H1104 VanDerWaalsContact O-N 3.08Å
1105L98.2Very high97.6Very high1 Ų147.1 Ų47.11%0.00524%0.238CC..  trans-99.9-0.8-178.5-58.4-178.9000113.7V1073 V1097 V1100 P1102 F1107 I1108 V1109V1073-L1105 HydrophobicContact CG1-CD2 4.22Å; V1097-L1105 HydrophobicContact CB-CD1 4.33Å; V1097-L1105 HydrophobicContact CG1-CD1 4.43Å; V1097-L1105 HydrophobicContact CG2-CD1 4.23Å; V1100-L1105 HydrophobicContact CB-CD2 4.1Å; V1100-L1105 HydrophobicContact CG1-CD2 4.31Å; V1100-L1105 WeakPolarHBondContact O-CD1 3.4Å; P1102-L1105 PolarHBondContact O-N 2.79Å; L1105-F1107 VanDerWaalsContact C-N 3.28Å; L1105-F1107 PolarHBondContact O-N 3.49Å; L1105-F1107 VanDerWaalsContact O-N 3.13Å; L1105-I1108 HydrophobicContact CD2-CD1 3.98Å; L1105-I1108 WeakPolarHBondContact O-CA 3.39Å; L1105-I1108 VanDerWaalsContact O-CB 3.28Å; L1105-I1108 WeakPolarHBondContact O-CB 3.28Å; L1105-I1108 PolarHBondContact O-N 3.39Å; L1105-V1109 PolarHBondContact O-N 2.65Å
1106Q98.1Very high97.6Very high77 Ų7745.6 Ų45.636%0.3623%0.231SC..Hα-helixtrans-51.7-42.8-171.7-172.258.643.500113.6I1108 V1109 D1110 Q1140Q1106-I1108 PolarHBondContact O-N 2.78Å; Q1106-V1109 CarbonylContact O-C 3.31Å; Q1106-V1109 WeakPolarHBondContact O-CA 3.45Å; Q1106-V1109 WeakPolarHBondContact O-CB 3.22Å; Q1106-V1109 PolarHBondContact O-N 2.79Å; Q1106-D1110 PolarHBondContact NE2-OD1 2.96Å; Q1106-D1110 VanDerWaalsContact O-CG 3.23Å; Q1106-D1110 PolarHBondContact O-N 2.63Å; Q1106-Q1140 VanDerWaalsContact OE1-CG 3.28Å
1107F98.1Very high97.6Very high29 Ų2949.9 Ų49.913%0.12725%0.248CC..Hα-helixtrans-62.5-24.8178.677-83000113.7V1073 D1077 V1080 L1105 A1111V1073-F1107 HydrophobicContact CG1-CE1 3.86Å; V1073-F1107 HydrophobicContact CG1-CZ 3.69Å; V1073-F1107 WeakPolarHBondContact O-CZ 3.38Å; D1077-F1107 HydrophobicContact CB-CD2 3.69Å; D1077-F1107 HydrophobicContact CB-CE2 3.87Å; D1077-F1107 HydrophobicContact CB-CG 4.34Å; D1077-F1107 WeakPolarHBondContact OD1-CD2 3.46Å; V1080-F1107 HydrophobicContact CG2-CD2 3.78Å; V1080-F1107 HydrophobicContact CG2-CE2 3.61Å; L1105-F1107 VanDerWaalsContact C-N 3.28Å; L1105-F1107 PolarHBondContact O-N 3.49Å; L1105-F1107 VanDerWaalsContact O-N 3.13Å; F1107-A1111 WeakPolarHBondContact O-CB 3.43Å; F1107-A1111 PolarHBondContact O-N 3.18Å
1108I98.1Very high97.5Very high2 Ų252.1 Ų52.11%0.0126%0.264CS..Hα-helixtrans-71.1-41.7172.9-55.5-174000109.7V1073 V1080 V1093 L1105 Q1106 F1112 I1132V1073-I1108 HydrophobicContact CG1-CD1 4.35Å; V1080-I1108 HydrophobicContact CG1-CB 4.38Å; V1080-I1108 HydrophobicContact CG1-CG2 3.83Å; V1080-I1108 HydrophobicContact CG2-CG1 4.3Å; V1093-I1108 HydrophobicContact CG1-CD1 4.42Å; V1093-I1108 HydrophobicContact CG1-CG2 4.07Å; L1105-I1108 HydrophobicContact CD2-CD1 3.98Å; L1105-I1108 WeakPolarHBondContact O-CA 3.39Å; L1105-I1108 VanDerWaalsContact O-CB 3.28Å; L1105-I1108 WeakPolarHBondContact O-CB 3.28Å; L1105-I1108 PolarHBondContact O-N 3.39Å; Q1106-I1108 PolarHBondContact O-N 2.78Å; I1108-F1112 HydrophobicContact CG2-CE2 4.13Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.38Å; I1108-F1112 PolarHBondContact O-N 2.78Å; I1108-I1132 HydrophobicContact CG2-CD1 4.4Å
1109V97.6Very high97.5Very high5 Ų549 Ų493%0.0325%0.25CC..Hα-helixtrans-68.3-44.7176.7-175.70000110.5L1105 Q1106 A1111 F1112 K1113 Q1140 I1144L1105-V1109 PolarHBondContact O-N 2.65Å; Q1106-V1109 CarbonylContact O-C 3.31Å; Q1106-V1109 WeakPolarHBondContact O-CA 3.45Å; Q1106-V1109 WeakPolarHBondContact O-CB 3.22Å; Q1106-V1109 PolarHBondContact O-N 2.79Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 3.19Å; V1109-F1112 WeakPolarHBondContact O-CB 3.39Å; V1109-F1112 PolarHBondContact O-N 3.48Å; V1109-K1113 PolarHBondContact O-N 3.47Å; V1109-Q1140 HydrophobicContact CG1-CB 4.32Å; V1109-Q1140 WeakPolarHBondContact CG1-O 3.44Å; V1109-Q1140 HydrophobicContact CG2-CB 4.17Å; V1109-Q1140 HydrophobicContact CG2-CG 4.33Å; V1109-I1144 HydrophobicContact CG1-CD1 4.19Å; V1109-I1144 HydrophobicContact CG1-CG1 4.19Å
1110D97.7Very high97.6Very high94 Ų9446.2 Ų46.250%0.50324%0.235SC..Hα-helixtrans-61.1-39.9177.7-61.8-22.7000111.5Q1106 F1112 K1113Q1106-D1110 PolarHBondContact NE2-OD1 2.96Å; Q1106-D1110 VanDerWaalsContact O-CG 3.23Å; Q1106-D1110 PolarHBondContact O-N 2.63Å; D1110-F1112 PolarHBondContact O-N 3.47Å; D1110-K1113 WeakPolarHBondContact O-CB 3.24Å; D1110-K1113 PolarHBondContact O-N 2.85Å
1111A97.8Very high97.6Very high32 Ų3247.7 Ų47.726%0.26424%0.244SC..THydrogen-bonded Turntrans-67.2-15.7176.800000114.1V1080 I1081 F1107 V1109V1080-A1111 HydrophobicContact CB-CB 3.86Å; V1080-A1111 HydrophobicContact CG1-CB 4.16Å; V1080-A1111 HydrophobicContact CG2-CB 4.11Å; I1081-A1111 WeakPolarHBondContact CD1-O 3.35Å; I1081-A1111 WeakPolarHBondContact CG1-O 3.47Å; F1107-A1111 WeakPolarHBondContact O-CB 3.43Å; F1107-A1111 PolarHBondContact O-N 3.18Å; V1109-A1111 VanDerWaalsContact C-N 3.31Å; V1109-A1111 PolarHBondContact O-N 3.19Å
1112F97.1Very high97.6Very high0 Ų048 Ų480%024%0.242CC..THydrogen-bonded Turntrans-89.8-19.3177.5-84.8-137.1000113.1V1080 I1081 V1084 I1108 V1109 D1110 H1115 V1116 I1119 V1128 I1129 I1132 I1144V1080-F1112 HydrophobicContact CG1-CD2 4.34Å; V1080-F1112 HydrophobicContact CG1-CE2 3.84Å; I1081-F1112 HydrophobicContact CD1-CD2 3.8Å; I1081-F1112 HydrophobicContact CD1-CE2 4Å; V1084-F1112 HydrophobicContact CG1-CZ 4.09Å; V1084-F1112 HydrophobicContact CG2-CE2 3.78Å; V1084-F1112 HydrophobicContact CG2-CZ 3.77Å; I1108-F1112 HydrophobicContact CG2-CE2 4.13Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.38Å; I1108-F1112 PolarHBondContact O-N 2.78Å; V1109-F1112 WeakPolarHBondContact O-CB 3.39Å; V1109-F1112 PolarHBondContact O-N 3.48Å; D1110-F1112 PolarHBondContact O-N 3.47Å; F1112-H1115 CarbonylContact O-C 3.53Å; F1112-H1115 WeakPolarHBondContact O-CA 3.3Å; F1112-H1115 WeakPolarHBondContact O-CB 3.49Å; F1112-H1115 PolarHBondContact O-N 2.78Å; F1112-V1116 HydrophobicContact CB-CG2 4.46Å; F1112-V1116 WeakPolarHBondContact O-CG2 3.25Å; F1112-V1116 PolarHBondContact O-N 2.84Å; F1112-V1116 VanDerWaalsContact O-N 3.14Å; F1112-I1119 HydrophobicContact CB-CD1 4.04Å; F1112-I1119 HydrophobicContact CD1-CD1 3.61Å; F1112-I1119 HydrophobicContact CD1-CG2 4.23Å; F1112-I1119 HydrophobicContact CD2-CD1 3.94Å; F1112-I1119 HydrophobicContact CE1-CD1 4Å; F1112-I1119 HydrophobicContact CE1-CG2 3.68Å; F1112-I1119 HydrophobicContact CE2-CD1 4.33Å; F1112-I1119 HydrophobicContact CG-CD1 3.57Å; F1112-I1119 HydrophobicContact CZ-CD1 4.33Å; F1112-I1119 HydrophobicContact CZ-CG2 4.13Å; F1112-V1128 HydrophobicContact CE1-CB 4.42Å; F1112-V1128 HydrophobicContact CE1-CG1 4.28Å; F1112-V1128 HydrophobicContact CZ-CB 4.06Å; F1112-V1128 HydrophobicContact CZ-CG1 3.66Å; F1112-I1129 HydrophobicContact CD1-CD1 3.5Å; F1112-I1129 VanDerWaalsContact CD1-CD1 3.5Å; F1112-I1129 HydrophobicContact CD1-CG1 4.49Å; F1112-I1129 HydrophobicContact CE1-CD1 3.58Å; F1112-I1129 HydrophobicContact CE1-CG1 4.11Å; F1112-I1132 HydrophobicContact CD1-CD1 3.87Å; F1112-I1132 HydrophobicContact CE1-CD1 3.53Å; F1112-I1132 HydrophobicContact CE2-CD1 4.35Å; F1112-I1132 HydrophobicContact CG-CD1 4.43Å; F1112-I1132 HydrophobicContact CZ-CD1 3.81Å; F1112-I1144 HydrophobicContact CB-CD1 3.85Å
1113K93.1Very high97.6Very high120 Ų12047.6 Ų47.652%0.52224%0.24SC..THydrogen-bonded Turntrans-57.3138.4-179.7-168.3-156.2167.6-115.80111.1V1109 D1110 H1115V1109-K1113 PolarHBondContact O-N 3.47Å; D1110-K1113 WeakPolarHBondContact O-CB 3.24Å; D1110-K1113 PolarHBondContact O-N 2.85Å; K1113-H1115 PolarHBondContact O-N 2.95Å; K1113-H1115 VanDerWaalsContact O-N 3.17Å; K1113-H1115 PolarHBondContact O-ND1 3.1Å
1114D94.7Very high97.6Very high113 Ų11344.7 Ų44.760%0.60422%0.224SC*.THydrogen-bonded Turntrans6411.8-177.1-42.4-53.4000113E1147D1114-E1147 WeakPolarHBondContact CA-OE2 3.32Å; D1114-E1147 PolarHBondContact N-OE2 3.06Å
1115H96.8Very high97.6Very high92 Ų9241.8 Ų41.843%0.42621%0.21SC..THydrogen-bonded Turntrans-134.5-3.7-178.2-62.983.3000113.9F1112 K1113 Y1117 S1118 I1119 E1147F1112-H1115 CarbonylContact O-C 3.53Å; F1112-H1115 WeakPolarHBondContact O-CA 3.3Å; F1112-H1115 WeakPolarHBondContact O-CB 3.49Å; F1112-H1115 PolarHBondContact O-N 2.78Å; K1113-H1115 PolarHBondContact O-N 2.95Å; K1113-H1115 VanDerWaalsContact O-N 3.17Å; K1113-H1115 PolarHBondContact O-ND1 3.1Å; H1115-Y1117 VanDerWaalsContact C-N 3.27Å; H1115-Y1117 PolarHBondContact O-N 2.96Å; H1115-S1118 WeakPolarHBondContact O-CB 3.27Å; H1115-S1118 PolarHBondContact O-N 3.2Å; H1115-I1119 HydrophobicContact CB-CD1 3.82Å; H1115-I1119 HydrophobicContact CB-CG1 4.34Å; H1115-I1119 VanDerWaalsContact O-CG1 3.29Å; H1115-I1119 WeakPolarHBondContact O-CG1 3.11Å; H1115-I1119 PolarHBondContact O-N 3.01Å; H1115-E1147 PolarHBondContact N-OE1 3.13Å
1116V98.2Very high97.6Very high0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-56.6-39.4-172.7178.30000111.5F1112 I1119 S1120 I1129 I1144 E1147 L1148F1112-V1116 HydrophobicContact CB-CG2 4.46Å; F1112-V1116 WeakPolarHBondContact O-CG2 3.25Å; F1112-V1116 PolarHBondContact O-N 2.84Å; F1112-V1116 VanDerWaalsContact O-N 3.14Å; V1116-I1119 PolarHBondContact O-N 3.4Å; V1116-S1120 WeakPolarHBondContact O-CB 3.37Å; V1116-S1120 PolarHBondContact O-N 2.87Å; V1116-S1120 PolarHBondContact O-OG 2.83Å; V1116-I1129 HydrophobicContact CG1-CD1 4Å; V1116-I1144 HydrophobicContact CG1-CG2 3.88Å; V1116-I1144 HydrophobicContact CG2-CD1 3.71Å; V1116-I1144 HydrophobicContact CG2-CG2 4.24Å; V1116-E1147 WeakPolarHBondContact CA-OE1 3.48Å; V1116-E1147 HydrophobicContact CB-CB 3.93Å; V1116-E1147 VanDerWaalsContact CB-CD 3.45Å; V1116-E1147 HydrophobicContact CB-CG 3.98Å; V1116-E1147 VanDerWaalsContact CB-OE1 3.28Å; V1116-E1147 WeakPolarHBondContact CB-OE1 3.42Å; V1116-E1147 HydrophobicContact CG1-CB 4.41Å; V1116-E1147 HydrophobicContact CG2-CB 3.99Å; V1116-E1147 HydrophobicContact CG2-CG 4.29Å; V1116-E1147 WeakPolarHBondContact CG2-OE2 3.41Å; V1116-E1147 PolarHBondContact N-OE1 2.84Å; V1116-L1148 HydrophobicContact CG1-CD2 3.73Å; V1116-L1148 HydrophobicContact CG1-CG 3.77Å
1117Y98.3Very high97.6Very high90 Ų9040.7 Ų40.735%0.35320%0.203SC..Hα-helixtrans-62.4-46.3174.3177.2-112.5000112.8H1115 I1119 S1120 T1121 E1147 H1151 A1154 L1155H1115-Y1117 VanDerWaalsContact C-N 3.27Å; H1115-Y1117 PolarHBondContact O-N 2.96Å; Y1117-I1119 PolarHBondContact O-N 3.36Å; Y1117-S1120 PolarHBondContact O-N 3.08Å; Y1117-T1121 HydrophobicContact CD2-CG2 4.13Å; Y1117-T1121 HydrophobicContact CE2-CG2 3.67Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.04Å; Y1117-T1121 PolarHBondContact O-N 2.8Å; Y1117-T1121 VanDerWaalsContact O-N 3.08Å; Y1117-T1121 PolarHBondContact O-OG1 3.5Å; Y1117-E1147 PolarHBondContact N-OE1 3.25Å; Y1117-H1151 HydrophobicContact CD2-CB 3.56Å; Y1117-H1151 AromaticContact CD2-CG 3.8Å; Y1117-H1151 HydrophobicContact CE2-CB 4.19Å; Y1117-H1151 HydrophobicContact CG-CB 4.17Å; Y1117-H1151 AromaticContact CG-CG 3.9Å; Y1117-A1154 HydrophobicContact CE2-CB 3.69Å; Y1117-L1155 HydrophobicContact CD2-CD2 3.77Å; Y1117-L1155 HydrophobicContact CD2-CG 3.98Å; Y1117-L1155 HydrophobicContact CE2-CD2 4.01Å; Y1117-L1155 HydrophobicContact CE2-CG 4.18Å
1118S98.1Very high97.6Very high51 Ų5139.3 Ų39.336%0.35720%0.197SC..Hα-helixtrans-66.3-26.6178.4-176.40000112.9K1085 H1115K1085-S1118 PolarHBondContact NZ-OG 2.73Å; H1115-S1118 WeakPolarHBondContact O-CB 3.27Å; H1115-S1118 PolarHBondContact O-N 3.2Å
1119I98.4Very high97.6Very high1 Ų139.2 Ų39.21%0.00520%0.196CC..Hα-helixtrans-85.2-40.5178.4-59.6161.9000110.3I1081 V1084 F1112 H1115 V1116 Y1117 T1121 H1122 G1125 C1126 I1129I1081-I1119 HydrophobicContact CD1-CD1 3.46Å; I1081-I1119 VanDerWaalsContact CD1-CD1 3.46Å; I1081-I1119 HydrophobicContact CD1-CG1 4.2Å; V1084-I1119 HydrophobicContact CG1-CG2 3.82Å; F1112-I1119 HydrophobicContact CB-CD1 4.04Å; F1112-I1119 HydrophobicContact CD1-CD1 3.61Å; F1112-I1119 HydrophobicContact CD1-CG2 4.23Å; F1112-I1119 HydrophobicContact CD2-CD1 3.94Å; F1112-I1119 HydrophobicContact CE1-CD1 4Å; F1112-I1119 HydrophobicContact CE1-CG2 3.68Å; F1112-I1119 HydrophobicContact CE2-CD1 4.33Å; F1112-I1119 HydrophobicContact CG-CD1 3.57Å; F1112-I1119 HydrophobicContact CZ-CD1 4.33Å; F1112-I1119 HydrophobicContact CZ-CG2 4.13Å; H1115-I1119 HydrophobicContact CB-CD1 3.82Å; H1115-I1119 HydrophobicContact CB-CG1 4.34Å; H1115-I1119 VanDerWaalsContact O-CG1 3.29Å; H1115-I1119 WeakPolarHBondContact O-CG1 3.11Å; H1115-I1119 PolarHBondContact O-N 3.01Å; V1116-I1119 PolarHBondContact O-N 3.4Å; Y1117-I1119 PolarHBondContact O-N 3.36Å; I1119-T1121 VanDerWaalsContact C-N 3.29Å; I1119-T1121 PolarHBondContact O-N 2.99Å; I1119-H1122 VanDerWaalsContact O-CB 3.27Å; I1119-H1122 WeakPolarHBondContact O-CB 3.36Å; I1119-H1122 PolarHBondContact O-N 3.34Å; I1119-G1125 CarbonylContact O-C 3.08Å; I1119-G1125 VanDerWaalsContact O-CA 3.24Å; I1119-G1125 WeakPolarHBondContact O-CA 3.36Å; I1119-C1126 PolarHBondContact O-N 3.2Å; I1119-C1126 VanDerWaalsContact O-N 3.07Å; I1119-I1129 HydrophobicContact CB-CD1 4.47Å; I1119-I1129 HydrophobicContact CB-CG1 4.5Å; I1119-I1129 HydrophobicContact CG2-CD1 4.16Å; I1119-I1129 HydrophobicContact CG2-CG1 3.89Å
1120S98.6Very high97.7Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-67.8-28.6179-59.50000113V1116 Y1117 H1122 C1126 L1148 Y1160 G1161V1116-S1120 WeakPolarHBondContact O-CB 3.37Å; V1116-S1120 PolarHBondContact O-N 2.87Å; V1116-S1120 PolarHBondContact O-OG 2.83Å; Y1117-S1120 PolarHBondContact O-N 3.08Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; S1120-C1126 WeakPolarHBondContact O-CB 3.38Å; S1120-L1148 WeakPolarHBondContact OG-CD2 3.42Å; S1120-Y1160 CarbonylContact O-C 3.25Å; S1120-G1161 WeakPolarHBondContact O-CA 3.49Å; S1120-G1161 PolarHBondContact O-N 2.72Å
1121T98.5Very high97.7Very high37 Ų3737.8 Ų37.823%0.22719%0.185CC..THydrogen-bonded Turntrans-87.38.1171.454.50000113.5Y1117 I1119 L1155 D1158 Y1160Y1117-T1121 HydrophobicContact CD2-CG2 4.13Å; Y1117-T1121 HydrophobicContact CE2-CG2 3.67Å; Y1117-T1121 WeakPolarHBondContact O-CG2 3.04Å; Y1117-T1121 PolarHBondContact O-N 2.8Å; Y1117-T1121 VanDerWaalsContact O-N 3.08Å; Y1117-T1121 PolarHBondContact O-OG1 3.5Å; I1119-T1121 VanDerWaalsContact C-N 3.29Å; I1119-T1121 PolarHBondContact O-N 2.99Å; T1121-L1155 HydrophobicContact CG2-CD2 3.89Å; T1121-D1158 WeakPolarHBondContact CA-OD2 3.29Å; T1121-D1158 HydrophobicContact CG2-CB 4.02Å; T1121-Y1160 WeakPolarHBondContact O-CD2 3.44Å
1122H98.4Very high97.7Very high46 Ų4636.3 Ų36.321%0.21317%0.172CC..SBendtrans-99.7136.4177.2-165.6-105.7000112K1085 I1119 S1120 Y1124 G1125 C1126K1085-H1122 PolarHBondContact O-CE1 2.98Å; I1119-H1122 VanDerWaalsContact O-CB 3.27Å; I1119-H1122 WeakPolarHBondContact O-CB 3.36Å; I1119-H1122 PolarHBondContact O-N 3.34Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; H1122-Y1124 AromaticContact CE1-CD2 3.71Å; H1122-Y1124 PolarHBondContact O-N 3.08Å; H1122-Y1124 VanDerWaalsContact O-N 3.08Å; H1122-G1125 PolarHBondContact ND1-N 3.22Å; H1122-G1125 PolarHBondContact O-N 3.41Å; H1122-C1126 PolarHBondContact O-N 3.44Å; H1122-C1126 PolarHBondContact O-SG 3.08Å
1123S97.5Very high97.8Very high22 Ų2237.8 Ų37.815%0.15418%0.18CC..THydrogen-bonded Turntrans-53.9-31.8-176.756.90000115.2R1127 Y1160S1123-R1127 PolarHBondContact O-NE 2.75Å; S1123-Y1160 VanDerWaalsContact CB-CZ 3.49Å
1124Y97.9Very high98Very high66 Ų6635.9 Ų35.926%0.25917%0.173SC..THydrogen-bonded Turntrans-101.8-30.3173.7-47.5-36.1000112.6D1086 Q1087 N1090 H1122 R1127D1086-Y1124 WeakPolarHBondContact O-CD2 3.48Å; Q1087-Y1124 HydrophobicContact CB-CE2 3.91Å; N1090-Y1124 HydrophobicContact CB-CG 4.46Å; H1122-Y1124 AromaticContact CE1-CD2 3.71Å; H1122-Y1124 PolarHBondContact O-N 3.08Å; H1122-Y1124 VanDerWaalsContact O-N 3.08Å; Y1124-R1127 WeakPolarHBondContact O-CB 3.29Å; Y1124-R1127 PolarHBondContact O-N 3.12Å
1125G98.2Very high98.2Very high0 Ų034.3 Ų34.30%016%0.162CC..Hα-helixtrans-70.6-36.8-172.900000112.8I1119 H1122 R1127 V1128 I1129I1119-G1125 CarbonylContact O-C 3.08Å; I1119-G1125 VanDerWaalsContact O-CA 3.24Å; I1119-G1125 WeakPolarHBondContact O-CA 3.36Å; H1122-G1125 PolarHBondContact ND1-N 3.22Å; H1122-G1125 PolarHBondContact O-N 3.41Å; G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.09Å; G1125-V1128 PolarHBondContact O-N 3.03Å; G1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; G1125-I1129 PolarHBondContact O-N 3.04Å
1126C98.3Very high98.2Very high2 Ų230.7 Ų30.71%0.01415%0.146CC..Hα-helixtrans-56.7-27.2174.4690000112.8I1119 S1120 H1122 Q1130 V1164I1119-C1126 PolarHBondContact O-N 3.2Å; I1119-C1126 VanDerWaalsContact O-N 3.07Å; S1120-C1126 WeakPolarHBondContact O-CB 3.38Å; H1122-C1126 PolarHBondContact O-N 3.44Å; H1122-C1126 PolarHBondContact O-SG 3.08Å; C1126-Q1130 WeakPolarHBondContact O-CG 3.21Å; C1126-Q1130 PolarHBondContact O-N 3.47Å; C1126-Q1130 PolarHBondContact O-NE2 2.89Å; C1126-V1164 HydrophobicContact CB-CG2 3.92Å
1127R98.4Very high98.2Very high52 Ų5232.8 Ų32.820%0.19616%0.159CC..Hα-helixtrans-76.4-38.8178.2-47-177.2179.6-157.3-8.1111.7P104 S1123 Y1124 G1125 Q1130 R1131P104-R1127 HydrophobicContact CG-CG 4.19Å; S1123-R1127 PolarHBondContact O-NE 2.75Å; Y1124-R1127 WeakPolarHBondContact O-CB 3.29Å; Y1124-R1127 PolarHBondContact O-N 3.12Å; G1125-R1127 PolarHBondContact O-N 3.5Å; G1125-R1127 VanDerWaalsContact O-N 3.09Å; R1127-Q1130 PolarHBondContact O-N 3.37Å; R1127-R1131 PolarHBondContact O-N 3.04Å; R1127-R1131 VanDerWaalsContact O-N 3.12Å
1128V98.5Very high98.2Very high0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-69.9-39.3176.4-165.30000110.8V1084 N1090 V1093 Q1094 F1112 G1125 Q1130 R1131 I1132V1084-V1128 HydrophobicContact CG1-CB 4.4Å; V1084-V1128 HydrophobicContact CG1-CG2 3.98Å; V1084-V1128 HydrophobicContact CG2-CG1 4.28Å; V1084-V1128 HydrophobicContact CG2-CG2 4.22Å; N1090-V1128 HydrophobicContact CB-CG2 4.42Å; V1093-V1128 HydrophobicContact CB-CG1 4.42Å; V1093-V1128 HydrophobicContact CG1-CG1 3.64Å; Q1094-V1128 HydrophobicContact CG-CG2 4.1Å; F1112-V1128 HydrophobicContact CE1-CB 4.42Å; F1112-V1128 HydrophobicContact CE1-CG1 4.28Å; F1112-V1128 HydrophobicContact CZ-CB 4.06Å; F1112-V1128 HydrophobicContact CZ-CG1 3.66Å; G1125-V1128 PolarHBondContact O-N 3.03Å; V1128-Q1130 VanDerWaalsContact C-N 3.3Å; V1128-Q1130 PolarHBondContact O-N 3.01Å; V1128-R1131 PolarHBondContact O-N 3.09Å; V1128-I1132 HydrophobicContact CG1-CD1 4.22Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.38Å; V1128-I1132 PolarHBondContact O-N 3.01Å
1129I98.4Very high98.1Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-55.6-46171.4-65.4-74.5000110.9F1112 V1116 I1119 G1125 I1132 L1133 I1144 L1148 V1164F1112-I1129 HydrophobicContact CD1-CD1 3.5Å; F1112-I1129 VanDerWaalsContact CD1-CD1 3.5Å; F1112-I1129 HydrophobicContact CD1-CG1 4.49Å; F1112-I1129 HydrophobicContact CE1-CD1 3.58Å; F1112-I1129 HydrophobicContact CE1-CG1 4.11Å; V1116-I1129 HydrophobicContact CG1-CD1 4Å; I1119-I1129 HydrophobicContact CB-CD1 4.47Å; I1119-I1129 HydrophobicContact CB-CG1 4.5Å; I1119-I1129 HydrophobicContact CG2-CD1 4.16Å; I1119-I1129 HydrophobicContact CG2-CG1 3.89Å; G1125-I1129 WeakPolarHBondContact O-CG1 3.36Å; G1125-I1129 PolarHBondContact O-N 3.04Å; I1129-I1132 PolarHBondContact O-N 3.02Å; I1129-L1133 HydrophobicContact CG2-CD1 4Å; I1129-L1133 HydrophobicContact CG2-CG 4.43Å; I1129-L1133 WeakPolarHBondContact O-CG 3.5Å; I1129-L1133 PolarHBondContact O-N 2.79Å; I1129-I1144 HydrophobicContact CD1-CG2 4.2Å; I1129-L1148 HydrophobicContact CG2-CD1 4.47Å; I1129-V1164 HydrophobicContact CB-CG2 4.38Å; I1129-V1164 HydrophobicContact CG2-CB 4.49Å; I1129-V1164 HydrophobicContact CG2-CG1 3.57Å; I1129-V1164 HydrophobicContact CG2-CG2 4.07Å
1130Q98.5Very high98.1Very high23 Ų2336.1 Ų36.111%0.10718%0.178CC..Hα-helixtrans-61.6-46.8177.2-75.3165.380.500112.2C1126 R1127 V1128 I1132 L1133 E1134 H1167C1126-Q1130 WeakPolarHBondContact O-CG 3.21Å; C1126-Q1130 PolarHBondContact O-N 3.47Å; C1126-Q1130 PolarHBondContact O-NE2 2.89Å; R1127-Q1130 PolarHBondContact O-N 3.37Å; V1128-Q1130 VanDerWaalsContact C-N 3.3Å; V1128-Q1130 PolarHBondContact O-N 3.01Å; Q1130-I1132 VanDerWaalsContact C-N 3.29Å; Q1130-I1132 PolarHBondContact O-N 3.4Å; Q1130-L1133 PolarHBondContact O-N 2.69Å; Q1130-L1133 VanDerWaalsContact O-N 3.16Å; Q1130-E1134 WeakPolarHBondContact O-CB 3.28Å; Q1130-E1134 VanDerWaalsContact O-CG 3.23Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.35Å; Q1130-E1134 PolarHBondContact O-N 2.65Å; Q1130-H1167 HydrophobicContact CG-CB 4.08Å
1131R98.5Very high98.1Very high47 Ų4736.8 Ų36.818%0.17718%0.182CC..Hα-helixtrans-58.1-40174.1-64-57.483.570.11.5112.5Q1094 V1097 R1127 V1128 E1134 H1135Q1094-R1131 HydrophobicContact CB-CG 3.87Å; Q1094-R1131 HydrophobicContact CG-CG 3.66Å; V1097-R1131 HydrophobicContact CB-CB 4.14Å; V1097-R1131 HydrophobicContact CG1-CB 3.73Å; V1097-R1131 WeakPolarHBondContact CG1-O 3.13Å; R1127-R1131 PolarHBondContact O-N 3.04Å; R1127-R1131 VanDerWaalsContact O-N 3.12Å; V1128-R1131 PolarHBondContact O-N 3.09Å; R1131-E1134 IonicContact CZ-OE1 2.79Å; R1131-E1134 IonicContact CZ-OE2 2.98Å; R1131-E1134 VanDerWaalsContact CZ-OE2 3.27Å; R1131-E1134 IonicContact NE-OE1 3.94Å; R1131-E1134 IonicContact NE-OE2 2.66Å; R1131-E1134 PolarHBondContact NE-OE2 3.01Å; R1131-E1134 VanDerWaalsContact NH2-CD 3.26Å; R1131-E1134 IonicContact NH2-OE1 2.69Å; R1131-E1134 PolarHBondContact NH2-OE1 3.23Å; R1131-E1134 IonicContact NH2-OE2 3.6Å; R1131-E1134 PolarHBondContact NH2-OE2 3.45Å; R1131-E1134 PolarHBondContact O-N 2.86Å; R1131-H1135 WeakPolarHBondContact O-CB 3.26Å; R1131-H1135 PolarHBondContact O-CD2 3.07Å; R1131-H1135 PolarHBondContact O-N 3.08Å
1132I98.4Very high98Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-63.9-42.8177.6-70.9168.2000110.8V1097 I1108 F1112 V1128 I1129 Q1130 E1134 C1136 T1141 I1144V1097-I1132 HydrophobicContact CG1-CG1 4.34Å; V1097-I1132 HydrophobicContact CG2-CG1 4.24Å; I1108-I1132 HydrophobicContact CG2-CD1 4.4Å; F1112-I1132 HydrophobicContact CD1-CD1 3.87Å; F1112-I1132 HydrophobicContact CE1-CD1 3.53Å; F1112-I1132 HydrophobicContact CE2-CD1 4.35Å; F1112-I1132 HydrophobicContact CG-CD1 4.43Å; F1112-I1132 HydrophobicContact CZ-CD1 3.81Å; V1128-I1132 HydrophobicContact CG1-CD1 4.22Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.38Å; V1128-I1132 PolarHBondContact O-N 3.01Å; I1129-I1132 PolarHBondContact O-N 3.02Å; Q1130-I1132 VanDerWaalsContact C-N 3.29Å; Q1130-I1132 PolarHBondContact O-N 3.4Å; I1132-E1134 VanDerWaalsContact C-N 3.28Å; I1132-E1134 PolarHBondContact O-N 2.96Å; I1132-C1136 HydrophobicContact CG2-CB 4.16Å; I1132-C1136 VanDerWaalsContact O-CB 3.23Å; I1132-C1136 WeakPolarHBondContact O-CB 3.42Å; I1132-C1136 PolarHBondContact O-N 3.4Å; I1132-T1141 VanDerWaalsContact O-CG2 3.28Å; I1132-T1141 WeakPolarHBondContact O-CG2 3.38Å; I1132-I1144 HydrophobicContact CG2-CG1 4.4Å
1133L98.2Very high97.9Very high31 Ų3139.3 Ų39.316%0.16220%0.202CC..Hα-helixtrans-68.3-25176.3-66.2174.4000113.5I1129 Q1130 T1141 L1145 L1148 V1164 V1168I1129-L1133 HydrophobicContact CG2-CD1 4Å; I1129-L1133 HydrophobicContact CG2-CG 4.43Å; I1129-L1133 WeakPolarHBondContact O-CG 3.5Å; I1129-L1133 PolarHBondContact O-N 2.79Å; Q1130-L1133 PolarHBondContact O-N 2.69Å; Q1130-L1133 VanDerWaalsContact O-N 3.16Å; L1133-T1141 HydrophobicContact CD2-CG2 4.25Å; L1133-L1145 HydrophobicContact CD2-CD1 4.46Å; L1133-L1145 HydrophobicContact CD2-CD2 3.91Å; L1133-L1145 HydrophobicContact CD2-CG 3.91Å; L1133-L1148 HydrophobicContact CD1-CD1 4.2Å; L1133-V1164 HydrophobicContact CD1-CG1 4.34Å; L1133-V1168 HydrophobicContact CD1-CG2 3.89Å
1134E97.9Very high98Very high80 Ų8038.4 Ų38.437%0.37420%0.196SC..Hα-helixtrans-84.8-36.9178.3-71.3160.8-159.600113.6Q1130 R1131 I1132 H1167Q1130-E1134 WeakPolarHBondContact O-CB 3.28Å; Q1130-E1134 VanDerWaalsContact O-CG 3.23Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.35Å; Q1130-E1134 PolarHBondContact O-N 2.65Å; R1131-E1134 IonicContact CZ-OE1 2.79Å; R1131-E1134 IonicContact CZ-OE2 2.98Å; R1131-E1134 VanDerWaalsContact CZ-OE2 3.27Å; R1131-E1134 IonicContact NE-OE1 3.94Å; R1131-E1134 IonicContact NE-OE2 2.66Å; R1131-E1134 PolarHBondContact NE-OE2 3.01Å; R1131-E1134 VanDerWaalsContact NH2-CD 3.26Å; R1131-E1134 IonicContact NH2-OE1 2.69Å; R1131-E1134 PolarHBondContact NH2-OE1 3.23Å; R1131-E1134 IonicContact NH2-OE2 3.6Å; R1131-E1134 PolarHBondContact NH2-OE2 3.45Å; R1131-E1134 PolarHBondContact O-N 2.86Å; I1132-E1134 VanDerWaalsContact C-N 3.28Å; I1132-E1134 PolarHBondContact O-N 2.96Å; E1134-H1167 VanDerWaalsContact CG-CE1 3.42Å; E1134-H1167 WeakPolarHBondContact CG-CE1 3.45Å; E1134-H1167 IonicContact OE1-CE1 3.98Å; E1134-H1167 PolarHBondContact OE1-CE1 3.45Å; E1134-H1167 IonicContact OE1-ND1 2.69Å; E1134-H1167 IonicContact OE1-NE2 2.65Å
1135H97.8Very high98Very high81 Ų8136 Ų3638%0.37519%0.187SC..Hα-helixtrans-117.4-23.6-167.1-66.1-83.5000115.7V1097 P1102 R1131V1097-H1135 HydrophobicContact CG1-CB 3.89Å; V1097-H1135 WeakPolarHBondContact O-CB 3.32Å; P1102-H1135 VanDerWaalsContact CG-O 3.25Å; P1102-H1135 WeakPolarHBondContact CG-O 3.46Å; R1131-H1135 WeakPolarHBondContact O-CB 3.26Å; R1131-H1135 PolarHBondContact O-CD2 3.07Å; R1131-H1135 PolarHBondContact O-N 3.08Å
1136C97.9Very high98Very high15 Ų1539 Ų3910%0.10121%0.208CC..SBendtrans-82.4162.2-178.4-65.80000112.4I1132 Q1140 T1141I1132-C1136 HydrophobicContact CG2-CB 4.16Å; I1132-C1136 VanDerWaalsContact O-CB 3.23Å; I1132-C1136 WeakPolarHBondContact O-CB 3.42Å; I1132-C1136 PolarHBondContact O-N 3.4Å; C1136-Q1140 HydrophobicContact CB-CB 3.9Å; C1136-T1141 HydrophobicContact CB-CG2 4.08Å
1137T97.9Very high97.9Very high44 Ų4440 Ų4027%0.2721%0.213SC..  trans-68.7163-175.383.40000112.7P1102 E1139 Q1140 T1141P1102-T1137 HydrophobicContact CB-CG2 3.75Å; P1102-T1137 HydrophobicContact CG-CG2 4.4Å; T1137-E1139 WeakPolarHBondContact CB-OE2 3.28Å; T1137-E1139 PolarHBondContact O-N 3.14Å; T1137-E1139 PolarHBondContact OG1-N 3.02Å; T1137-E1139 PolarHBondContact OG1-OE2 3.27Å; T1137-Q1140 VanDerWaalsContact N-OE1 3.12Å; T1137-Q1140 PolarHBondContact O-N 3.44Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; T1137-Q1140 PolarHBondContact OG1-N 2.86Å; T1137-T1141 WeakPolarHBondContact O-CG2 3.36Å; T1137-T1141 PolarHBondContact O-N 3.27Å; T1137-T1141 PolarHBondContact O-OG1 3.26Å
1138P97.1Very high97.9Very high67 Ų6737.8 Ų37.844%0.43521%0.205SC..Hα-helixtrans-53.8-35.4172.2-27.236.8000113.4T1141 T1142P1138-T1141 WeakPolarHBondContact CA-OG1 3.25Å; P1138-T1141 PolarHBondContact O-OG1 3.16Å; P1138-T1142 VanDerWaalsContact O-CB 3.24Å; P1138-T1142 WeakPolarHBondContact O-CB 3.48Å; P1138-T1142 PolarHBondContact O-N 2.95Å; P1138-T1142 PolarHBondContact O-OG1 3.36Å
1139E97.3Very high97.9Very high138 Ų13838.9 Ų38.965%0.64521%0.21SC*.Hα-helixtrans-70.2-34.8180-58.165.9-139.300111.4T1137 P1143T1137-E1139 WeakPolarHBondContact CB-OE2 3.28Å; T1137-E1139 PolarHBondContact O-N 3.14Å; T1137-E1139 PolarHBondContact OG1-N 3.02Å; T1137-E1139 PolarHBondContact OG1-OE2 3.27Å; E1139-P1143 WeakPolarHBondContact O-CD 3.22Å
1140Q97.9Very high97.9Very high8 Ų845.5 Ų45.54%0.03724%0.241CC..Hα-helixtrans-78.8-36.9177.3-73.8176.4-27.700113.2P1102 Q1106 V1109 C1136 T1137 P1143P1102-Q1140 PolarHBondContact O-NE2 2.81Å; Q1106-Q1140 VanDerWaalsContact OE1-CG 3.28Å; V1109-Q1140 HydrophobicContact CG1-CB 4.32Å; V1109-Q1140 WeakPolarHBondContact CG1-O 3.44Å; V1109-Q1140 HydrophobicContact CG2-CB 4.17Å; V1109-Q1140 HydrophobicContact CG2-CG 4.33Å; C1136-Q1140 HydrophobicContact CB-CB 3.9Å; T1137-Q1140 VanDerWaalsContact N-OE1 3.12Å; T1137-Q1140 PolarHBondContact O-N 3.44Å; T1137-Q1140 VanDerWaalsContact O-N 3.1Å; T1137-Q1140 PolarHBondContact OG1-N 2.86Å; Q1140-P1143 WeakPolarHBondContact O-CD 3.42Å; Q1140-P1143 WeakPolarHBondContact O-CG 3.03Å
1141T97.9Very high97.8Very high13 Ų1347.7 Ų47.78%0.0825%0.251CS..Hα-helixtrans-79.3-29.6-179.8500000112.5I1132 L1133 C1136 T1137 P1138 I1144 L1145I1132-T1141 VanDerWaalsContact O-CG2 3.28Å; I1132-T1141 WeakPolarHBondContact O-CG2 3.38Å; L1133-T1141 HydrophobicContact CD2-CG2 4.25Å; C1136-T1141 HydrophobicContact CB-CG2 4.08Å; T1137-T1141 WeakPolarHBondContact O-CG2 3.36Å; T1137-T1141 PolarHBondContact O-N 3.27Å; T1137-T1141 PolarHBondContact O-OG1 3.26Å; P1138-T1141 WeakPolarHBondContact CA-OG1 3.25Å; P1138-T1141 PolarHBondContact O-OG1 3.16Å; T1141-I1144 WeakPolarHBondContact O-CB 3.44Å; T1141-I1144 PolarHBondContact O-N 2.88Å; T1141-L1145 WeakPolarHBondContact O-CB 3.3Å; T1141-L1145 WeakPolarHBondContact O-CG 3.4Å; T1141-L1145 PolarHBondContact O-N 3.15Å
1142T97.2Very high97.8Very high71 Ų7145.5 Ų45.544%0.43624%0.243SC..Hα-helixtrans-52.2-50.7177.6-67.70000114.7P1138 I1144 L1145 S1146P1138-T1142 VanDerWaalsContact O-CB 3.24Å; P1138-T1142 WeakPolarHBondContact O-CB 3.48Å; P1138-T1142 PolarHBondContact O-N 2.95Å; P1138-T1142 PolarHBondContact O-OG1 3.36Å; T1142-I1144 VanDerWaalsContact C-N 3.35Å; T1142-I1144 PolarHBondContact O-N 3.13Å; T1142-L1145 PolarHBondContact O-N 3.43Å; T1142-S1146 WeakPolarHBondContact O-CB 3.34Å; T1142-S1146 PolarHBondContact O-N 3Å
1143P97.3Very high97.8Very high65 Ų6548.3 Ų48.342%0.42226%0.258SS..Hα-helixtrans-64.4-37.3176.923.6-33.6000112.7E1139 Q1140 S1146 E1147E1139-P1143 WeakPolarHBondContact O-CD 3.22Å; Q1140-P1143 WeakPolarHBondContact O-CD 3.42Å; Q1140-P1143 WeakPolarHBondContact O-CG 3.03Å; P1143-S1146 WeakPolarHBondContact O-CB 3.29Å; P1143-S1146 PolarHBondContact O-N 2.91Å; P1143-E1147 PolarHBondContact O-N 3.43Å
1144I98.2Very high97.8Very high3 Ų348.6 Ų48.62%0.01526%0.264CS..Hα-helixtrans-64-46.3176.7-54.7-61.9000110.5V1109 F1112 V1116 I1129 I1132 T1141 T1142 S1146 E1147 L1148V1109-I1144 HydrophobicContact CG1-CD1 4.19Å; V1109-I1144 HydrophobicContact CG1-CG1 4.19Å; F1112-I1144 HydrophobicContact CB-CD1 3.85Å; V1116-I1144 HydrophobicContact CG1-CG2 3.88Å; V1116-I1144 HydrophobicContact CG2-CD1 3.71Å; V1116-I1144 HydrophobicContact CG2-CG2 4.24Å; I1129-I1144 HydrophobicContact CD1-CG2 4.2Å; I1132-I1144 HydrophobicContact CG2-CG1 4.4Å; T1141-I1144 WeakPolarHBondContact O-CB 3.44Å; T1141-I1144 PolarHBondContact O-N 2.88Å; T1142-I1144 VanDerWaalsContact C-N 3.35Å; T1142-I1144 PolarHBondContact O-N 3.13Å; I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.86Å; I1144-E1147 PolarHBondContact O-N 3.05Å; I1144-L1148 HydrophobicContact CG2-CD1 4.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.32Å; I1144-L1148 WeakPolarHBondContact O-CG 3.41Å; I1144-L1148 PolarHBondContact O-N 2.84Å
1145L98.2Very high97.8Very high15 Ų1544.8 Ų44.88%0.07925%0.246CC..Hα-helixtrans-60.8-41173.8-73164.8000111.8L1133 T1141 T1142 E1147 L1148 H1149 V1168L1133-L1145 HydrophobicContact CD2-CD1 4.46Å; L1133-L1145 HydrophobicContact CD2-CD2 3.91Å; L1133-L1145 HydrophobicContact CD2-CG 3.91Å; T1141-L1145 WeakPolarHBondContact O-CB 3.3Å; T1141-L1145 WeakPolarHBondContact O-CG 3.4Å; T1141-L1145 PolarHBondContact O-N 3.15Å; T1142-L1145 PolarHBondContact O-N 3.43Å; L1145-E1147 VanDerWaalsContact C-N 3.32Å; L1145-E1147 PolarHBondContact O-N 2.98Å; L1145-L1148 HydrophobicContact CD2-CD1 4.37Å; L1145-L1148 PolarHBondContact O-N 3.45Å; L1145-H1149 PolarHBondContact O-CD2 3.17Å; L1145-H1149 PolarHBondContact O-N 3.19Å; L1145-V1168 HydrophobicContact CD2-CG1 4.08Å; L1145-V1168 HydrophobicContact CD2-CG2 3.83Å
1146S97.5Very high97.9Very high64 Ų6441 Ų4145%0.44823%0.229SC..Hα-helixtrans-61.3-37.4177-165.40000112.8T1142 P1143 I1144 Q1150T1142-S1146 WeakPolarHBondContact O-CB 3.34Å; T1142-S1146 PolarHBondContact O-N 3Å; P1143-S1146 WeakPolarHBondContact O-CB 3.29Å; P1143-S1146 PolarHBondContact O-N 2.91Å; I1144-S1146 VanDerWaalsContact C-N 3.34Å; I1144-S1146 PolarHBondContact O-N 2.86Å; S1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; S1146-Q1150 PolarHBondContact O-NE2 3.2Å
1147E97.8Very high97.9Very high24 Ų2444.1 Ų44.111%0.11224%0.241CC..Hα-helixtrans-77.2-36.1174.3-157.1-176.5130.600112.4D1114 H1115 V1116 Y1117 P1143 I1144 L1145 H1149 Q1150 H1151D1114-E1147 WeakPolarHBondContact CA-OE2 3.32Å; D1114-E1147 PolarHBondContact N-OE2 3.06Å; H1115-E1147 PolarHBondContact N-OE1 3.13Å; V1116-E1147 WeakPolarHBondContact CA-OE1 3.48Å; V1116-E1147 HydrophobicContact CB-CB 3.93Å; V1116-E1147 VanDerWaalsContact CB-CD 3.45Å; V1116-E1147 HydrophobicContact CB-CG 3.98Å; V1116-E1147 VanDerWaalsContact CB-OE1 3.28Å; V1116-E1147 WeakPolarHBondContact CB-OE1 3.42Å; V1116-E1147 HydrophobicContact CG1-CB 4.41Å; V1116-E1147 HydrophobicContact CG2-CB 3.99Å; V1116-E1147 HydrophobicContact CG2-CG 4.29Å; V1116-E1147 WeakPolarHBondContact CG2-OE2 3.41Å; V1116-E1147 PolarHBondContact N-OE1 2.84Å; Y1117-E1147 PolarHBondContact N-OE1 3.25Å; P1143-E1147 PolarHBondContact O-N 3.43Å; I1144-E1147 PolarHBondContact O-N 3.05Å; L1145-E1147 VanDerWaalsContact C-N 3.32Å; L1145-E1147 PolarHBondContact O-N 2.98Å; E1147-H1149 PolarHBondContact O-N 3.27Å; E1147-Q1150 PolarHBondContact O-N 3.05Å; E1147-H1151 PolarHBondContact O-CD2 3.19Å
1148L98.3Very high97.9Very high5 Ų543.6 Ų43.63%0.02624%0.237CC..Hα-helixtrans-58.7-46172.3-73.1170.6000112V1116 S1120 I1129 L1133 I1144 L1145 Q1150 H1151 T1152 L1155 V1164V1116-L1148 HydrophobicContact CG1-CD2 3.73Å; V1116-L1148 HydrophobicContact CG1-CG 3.77Å; S1120-L1148 WeakPolarHBondContact OG-CD2 3.42Å; I1129-L1148 HydrophobicContact CG2-CD1 4.47Å; L1133-L1148 HydrophobicContact CD1-CD1 4.2Å; I1144-L1148 HydrophobicContact CG2-CD1 4.27Å; I1144-L1148 VanDerWaalsContact O-CG 3.32Å; I1144-L1148 WeakPolarHBondContact O-CG 3.41Å; I1144-L1148 PolarHBondContact O-N 2.84Å; L1145-L1148 HydrophobicContact CD2-CD1 4.37Å; L1145-L1148 PolarHBondContact O-N 3.45Å; L1148-Q1150 VanDerWaalsContact C-N 3.28Å; L1148-Q1150 PolarHBondContact O-N 3.14Å; L1148-H1151 CarbonylContact O-C 3.41Å; L1148-H1151 PolarHBondContact O-N 3.46Å; L1148-T1152 PolarHBondContact O-N 3.39Å; L1148-T1152 VanDerWaalsContact O-N 3.12Å; L1148-L1155 HydrophobicContact CB-CD1 4.49Å; L1148-L1155 HydrophobicContact CD2-CD1 3.63Å; L1148-V1164 HydrophobicContact CD1-CG1 3.79Å; L1148-V1164 HydrophobicContact CD2-CG1 3.7Å; L1148-V1164 HydrophobicContact CG-CG1 4.44Å
1149H98.2Very high98Very high22 Ų2244.7 Ų44.710%0.10224%0.236CC..Hα-helixtrans-60.2-36.4-178.8-76-54.7000112.7L1145 E1147 H1151 T1152 D1176L1145-H1149 PolarHBondContact O-CD2 3.17Å; L1145-H1149 PolarHBondContact O-N 3.19Å; E1147-H1149 PolarHBondContact O-N 3.27Å; H1149-H1151 PolarHBondContact O-N 3.49Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.11Å; H1149-T1152 PolarHBondContact O-N 2.82Å; H1149-T1152 PolarHBondContact O-OG1 2.93Å; H1149-D1176 IonicContact CD2-OD1 3.03Å; H1149-D1176 IonicContact CE1-OD1 3.27Å; H1149-D1176 IonicContact NE2-OD1 2.68Å; H1149-D1176 PolarHBondContact NE2-OD1 3.27Å
1150Q97.4Very high98Very high139 Ų13939.8 Ų39.865%0.6521%0.212SC*.Hα-helixtrans-63.7-21.3175.9-71.1168.374.300113.5S1146 E1147 L1148S1146-Q1150 WeakPolarHBondContact O-CG 3.49Å; S1146-Q1150 PolarHBondContact O-NE2 3.2Å; E1147-Q1150 PolarHBondContact O-N 3.05Å; L1148-Q1150 VanDerWaalsContact C-N 3.28Å; L1148-Q1150 PolarHBondContact O-N 3.14Å
1151H97.9Very high98.1Very high69 Ų6939.4 Ų39.432%0.31921%0.21SC..THydrogen-bonded Turntrans-118.911.8-176.1-63.5-64.7000114.1Y1117 E1147 L1148 H1149 D1153 A1154 L1155Y1117-H1151 HydrophobicContact CD2-CB 3.56Å; Y1117-H1151 AromaticContact CD2-CG 3.8Å; Y1117-H1151 HydrophobicContact CE2-CB 4.19Å; Y1117-H1151 HydrophobicContact CG-CB 4.17Å; Y1117-H1151 AromaticContact CG-CG 3.9Å; E1147-H1151 PolarHBondContact O-CD2 3.19Å; L1148-H1151 CarbonylContact O-C 3.41Å; L1148-H1151 PolarHBondContact O-N 3.46Å; H1149-H1151 PolarHBondContact O-N 3.49Å; H1151-D1153 VanDerWaalsContact C-N 3.25Å; H1151-D1153 PolarHBondContact O-N 2.81Å; H1151-D1153 VanDerWaalsContact O-N 3.13Å; H1151-A1154 PolarHBondContact O-N 3.29Å; H1151-L1155 HydrophobicContact CB-CD1 3.94Å; H1151-L1155 HydrophobicContact CB-CG 4.2Å; H1151-L1155 WeakPolarHBondContact O-CG 2.97Å; H1151-L1155 PolarHBondContact O-N 3.1Å
1152T98.3Very high98.1Very high1 Ų138.8 Ų38.81%0.00621%0.206CC..Hα-helixtrans-43.9-49.4-179-54.40000112.3L1148 H1149 A1154 L1155 V1156 I1180 H1183L1148-T1152 PolarHBondContact O-N 3.39Å; L1148-T1152 VanDerWaalsContact O-N 3.12Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.11Å; H1149-T1152 PolarHBondContact O-N 2.82Å; H1149-T1152 PolarHBondContact O-OG1 2.93Å; T1152-A1154 VanDerWaalsContact C-N 3.28Å; T1152-A1154 PolarHBondContact O-N 2.91Å; T1152-L1155 PolarHBondContact O-N 3.05Å; T1152-V1156 HydrophobicContact CG2-CG2 3.91Å; T1152-V1156 WeakPolarHBondContact O-CB 3.48Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; T1152-V1156 PolarHBondContact O-N 2.86Å; T1152-I1180 HydrophobicContact CG2-CG1 4.47Å; T1152-H1183 HydrophobicContact CG2-CB 3.9Å
1153D97.1Very high98.2Very high60 Ų6037.9 Ų37.932%0.32120%0.195SC..Hα-helixtrans-58.8-32.8-177.7-93.331.9000115.2H1151 K1157 H1183 R1187H1151-D1153 VanDerWaalsContact C-N 3.25Å; H1151-D1153 PolarHBondContact O-N 2.81Å; H1151-D1153 VanDerWaalsContact O-N 3.13Å; D1153-K1157 PolarHBondContact O-NZ 3.03Å; D1153-H1183 IonicContact OD1-CD2 3.65Å; D1153-H1183 PolarHBondContact OD1-CD2 3.29Å; D1153-R1187 IonicContact OD1-CZ 2.68Å; D1153-R1187 IonicContact OD1-NH1 3.63Å; D1153-R1187 IonicContact OD1-NH2 2.73Å; D1153-R1187 PolarHBondContact OD1-NH2 2.84Å; D1153-R1187 IonicContact OD2-CZ 2.81Å; D1153-R1187 IonicContact OD2-NH1 2.69Å; D1153-R1187 PolarHBondContact OD2-NH1 3.31Å; D1153-R1187 IonicContact OD2-NH2 3.73Å; D1153-R1187 PolarHBondContact OD2-NH2 3.01Å
1154A98.1Very high98.2Very high36 Ų3634.8 Ų34.830%0.29818%0.175SC..Hα-helixtrans-85.4-45.517600000110.4Y1117 H1151 T1152 V1156 K1157 D1158Y1117-A1154 HydrophobicContact CE2-CB 3.69Å; H1151-A1154 PolarHBondContact O-N 3.29Å; T1152-A1154 VanDerWaalsContact C-N 3.28Å; T1152-A1154 PolarHBondContact O-N 2.91Å; A1154-V1156 PolarHBondContact O-N 2.88Å; A1154-K1157 PolarHBondContact O-N 3.4Å; A1154-D1158 PolarHBondContact O-N 2.97Å
1155L98.7Very high98.2Very high0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-61.6-38.9-178.2-67.8170.2000112.8Y1117 T1121 L1148 H1151 T1152 K1157 D1158 G1161 N1162 I1165Y1117-L1155 HydrophobicContact CD2-CD2 3.77Å; Y1117-L1155 HydrophobicContact CD2-CG 3.98Å; Y1117-L1155 HydrophobicContact CE2-CD2 4.01Å; Y1117-L1155 HydrophobicContact CE2-CG 4.18Å; T1121-L1155 HydrophobicContact CG2-CD2 3.89Å; L1148-L1155 HydrophobicContact CB-CD1 4.49Å; L1148-L1155 HydrophobicContact CD2-CD1 3.63Å; H1151-L1155 HydrophobicContact CB-CD1 3.94Å; H1151-L1155 HydrophobicContact CB-CG 4.2Å; H1151-L1155 WeakPolarHBondContact O-CG 2.97Å; H1151-L1155 PolarHBondContact O-N 3.1Å; T1152-L1155 PolarHBondContact O-N 3.05Å; L1155-K1157 PolarHBondContact O-N 3.31Å; L1155-D1158 PolarHBondContact O-N 3.1Å; L1155-G1161 CarbonylContact O-C 3.43Å; L1155-N1162 WeakPolarHBondContact O-CA 3.37Å; L1155-N1162 PolarHBondContact O-N 2.68Å; L1155-I1165 HydrophobicContact CB-CD1 3.81Å; L1155-I1165 HydrophobicContact CB-CG1 3.66Å; L1155-I1165 HydrophobicContact CD1-CD1 4.08Å
1156V98.6Very high98.3Very high3 Ų334.8 Ų34.82%0.01818%0.175CC..THydrogen-bonded Turntrans-55.6-31.4173.4166.80000112.1T1152 A1154 I1165 L1191 A1197 V1200T1152-V1156 HydrophobicContact CG2-CG2 3.91Å; T1152-V1156 WeakPolarHBondContact O-CB 3.48Å; T1152-V1156 WeakPolarHBondContact O-CG2 3.31Å; T1152-V1156 PolarHBondContact O-N 2.86Å; A1154-V1156 PolarHBondContact O-N 2.88Å; V1156-I1165 HydrophobicContact CG2-CG1 4.33Å; V1156-I1165 HydrophobicContact CG2-CG2 4Å; V1156-L1191 HydrophobicContact CG1-CD1 4.37Å; V1156-L1191 HydrophobicContact CG1-CD2 4.03Å; V1156-A1197 HydrophobicContact CG1-CB 3.68Å; V1156-A1197 WeakPolarHBondContact O-CA 3.26Å; V1156-A1197 WeakPolarHBondContact O-CB 3.12Å; V1156-A1197 PolarHBondContact O-N 3.35Å; V1156-V1200 HydrophobicContact CG1-CB 4.32Å; V1156-V1200 HydrophobicContact CG1-CG1 4.48Å; V1156-V1200 HydrophobicContact CG1-CG2 4.34Å; V1156-V1200 HydrophobicContact CG2-CG1 4.27Å
1157K98.4Very high98.3Very high79 Ų7932.4 Ų32.434%0.34316%0.156SC..THydrogen-bonded Turntrans-98-24.5-176.6-54.6-174.3-167.389.50113.4D1153 A1154 L1155 H1194 F1196D1153-K1157 PolarHBondContact O-NZ 3.03Å; A1154-K1157 PolarHBondContact O-N 3.4Å; L1155-K1157 PolarHBondContact O-N 3.31Å; K1157-H1194 PolarHBondContact O-CE1 2.82Å; K1157-H1194 VanDerWaalsContact O-CE1 3.28Å; K1157-F1196 WeakPolarHBondContact O-CD2 3.22Å
1158D98.6Very high98.4Very high34 Ų3431.5 Ų31.518%0.18215%0.153CC..SBendtrans-67.2148-178.7177.755.7000113.1T1121 A1154 L1155 Y1160 G1161 N1162T1121-D1158 WeakPolarHBondContact CA-OD2 3.29Å; T1121-D1158 HydrophobicContact CG2-CB 4.02Å; A1154-D1158 PolarHBondContact O-N 2.97Å; L1155-D1158 PolarHBondContact O-N 3.1Å; D1158-Y1160 PolarHBondContact O-N 3.02Å; D1158-Y1160 WeakPolarHBondContact OD2-CA 3.32Å; D1158-Y1160 PolarHBondContact OD2-N 2.98Å; D1158-G1161 PolarHBondContact OD2-N 2.83Å; D1158-N1162 WeakPolarHBondContact O-CB 3.48Å; D1158-N1162 PolarHBondContact O-N 3.27Å; D1158-N1162 PolarHBondContact O-ND2 2.97Å
1159Q98.3Very high98.4Very high90 Ų9031.2 Ų31.242%0.42115%0.151SC..THydrogen-bonded Turntrans-65-21.6-178.575.6-164.8-59.700114.2N1162 Y1163 F1196Q1159-N1162 PolarHBondContact O-ND2 3.3Å; Q1159-Y1163 WeakPolarHBondContact O-CE2 3.33Å; Q1159-F1196 HydrophobicContact CB-CD1 4.34Å; Q1159-F1196 HydrophobicContact CB-CD2 4.25Å; Q1159-F1196 HydrophobicContact CB-CE1 3.8Å; Q1159-F1196 HydrophobicContact CB-CE2 3.7Å; Q1159-F1196 HydrophobicContact CB-CZ 3.45Å; Q1159-F1196 VanDerWaalsContact CB-CZ 3.45Å
1160Y98.3Very high98.4Very high34 Ų3433.4 Ų33.413%0.13316%0.162CC..THydrogen-bonded Turntrans-113.3-41.1176.4-55.5-62.2000112.1S1120 T1121 S1123 D1158 N1162 Y1163S1120-Y1160 CarbonylContact O-C 3.25Å; T1121-Y1160 WeakPolarHBondContact O-CD2 3.44Å; S1123-Y1160 VanDerWaalsContact CB-CZ 3.49Å; D1158-Y1160 PolarHBondContact O-N 3.02Å; D1158-Y1160 WeakPolarHBondContact OD2-CA 3.32Å; D1158-Y1160 PolarHBondContact OD2-N 2.98Å; Y1160-N1162 PolarHBondContact O-N 3.1Å; Y1160-Y1163 PolarHBondContact O-N 2.98Å; Y1160-Y1163 VanDerWaalsContact O-N 3.1Å
1161G98.6Very high98.3Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-58.5-31.4179.100000113.5S1120 L1155 D1158 Y1163 V1164 I1165S1120-G1161 WeakPolarHBondContact O-CA 3.49Å; S1120-G1161 PolarHBondContact O-N 2.72Å; L1155-G1161 CarbonylContact O-C 3.43Å; D1158-G1161 PolarHBondContact OD2-N 2.83Å; G1161-Y1163 PolarHBondContact O-N 3.5Å; G1161-V1164 WeakPolarHBondContact O-CB 3.46Å; G1161-V1164 PolarHBondContact O-N 3.09Å; G1161-I1165 PolarHBondContact O-N 3.26Å; G1161-I1165 VanDerWaalsContact O-N 3.11Å
1162N98.7Very high98.2Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-60.6-29.5178.477.791.6000112.3L1155 D1158 Q1159 Y1160 Q1166 F1196 V1200L1155-N1162 WeakPolarHBondContact O-CA 3.37Å; L1155-N1162 PolarHBondContact O-N 2.68Å; D1158-N1162 WeakPolarHBondContact O-CB 3.48Å; D1158-N1162 PolarHBondContact O-N 3.27Å; D1158-N1162 PolarHBondContact O-ND2 2.97Å; Q1159-N1162 PolarHBondContact O-ND2 3.3Å; Y1160-N1162 PolarHBondContact O-N 3.1Å; N1162-Q1166 WeakPolarHBondContact O-CB 3.28Å; N1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; N1162-Q1166 PolarHBondContact O-N 3.27Å; N1162-Q1166 PolarHBondContact O-NE2 3.31Å; N1162-Q1166 PolarHBondContact OD1-NE2 2.91Å; N1162-F1196 HydrophobicContact CB-CB 4.17Å; N1162-V1200 HydrophobicContact CB-CG2 3.77Å
1163Y98.6Very high98.1Very high52 Ų5235.5 Ų35.520%0.20418%0.176CC..Hα-helixtrans-72.4-33.8176-63.6-69.2000112.1S103 Q1159 Y1160 G1161 H1167S103-Y1163 VanDerWaalsContact CB-CZ 3.41Å; S103-Y1163 VanDerWaalsContact CB-OH 3.23Å; S103-Y1163 WeakPolarHBondContact CB-OH 3.43Å; S103-Y1163 PolarHBondContact OG-OH 3.36Å; Q1159-Y1163 WeakPolarHBondContact O-CE2 3.33Å; Y1160-Y1163 PolarHBondContact O-N 2.98Å; Y1160-Y1163 VanDerWaalsContact O-N 3.1Å; G1161-Y1163 PolarHBondContact O-N 3.5Å; Y1163-H1167 WeakPolarHBondContact O-CB 3.49Å; Y1163-H1167 PolarHBondContact O-N 2.81Å
1164V98.7Very high98.1Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-66.4-44.4173.9-178.50000110.5C1126 I1129 L1133 L1148 G1161 H1167 V1168C1126-V1164 HydrophobicContact CB-CG2 3.92Å; I1129-V1164 HydrophobicContact CB-CG2 4.38Å; I1129-V1164 HydrophobicContact CG2-CB 4.49Å; I1129-V1164 HydrophobicContact CG2-CG1 3.57Å; I1129-V1164 HydrophobicContact CG2-CG2 4.07Å; L1133-V1164 HydrophobicContact CD1-CG1 4.34Å; L1148-V1164 HydrophobicContact CD1-CG1 3.79Å; L1148-V1164 HydrophobicContact CD2-CG1 3.7Å; L1148-V1164 HydrophobicContact CG-CG1 4.44Å; G1161-V1164 WeakPolarHBondContact O-CB 3.46Å; G1161-V1164 PolarHBondContact O-N 3.09Å; V1164-H1167 WeakPolarHBondContact O-CB 2.94Å; V1164-H1167 PolarHBondContact O-N 2.99Å; V1164-V1168 PolarHBondContact O-N 3.49Å; V1164-V1168 VanDerWaalsContact O-N 3.08Å
1165I98.8Very high98Very high3 Ų341.9 Ų41.92%0.01521%0.205CC..Hα-helixtrans-66.5-40.4177.3-55.8-59.6000111.5L1155 V1156 G1161 H1167 V1168 L1169 I1180 V1200L1155-I1165 HydrophobicContact CB-CD1 3.81Å; L1155-I1165 HydrophobicContact CB-CG1 3.66Å; L1155-I1165 HydrophobicContact CD1-CD1 4.08Å; V1156-I1165 HydrophobicContact CG2-CG1 4.33Å; V1156-I1165 HydrophobicContact CG2-CG2 4Å; G1161-I1165 PolarHBondContact O-N 3.26Å; G1161-I1165 VanDerWaalsContact O-N 3.11Å; I1165-H1167 VanDerWaalsContact C-N 3.32Å; I1165-H1167 PolarHBondContact O-N 3.11Å; I1165-V1168 PolarHBondContact O-N 3.27Å; I1165-L1169 HydrophobicContact CG2-CD1 4.3Å; I1165-L1169 WeakPolarHBondContact O-CG 3.43Å; I1165-L1169 PolarHBondContact O-N 2.82Å; I1165-I1180 HydrophobicContact CG2-CD1 4.09Å; I1165-I1180 HydrophobicContact CG2-CG1 4.32Å; I1165-I1180 HydrophobicContact CG2-CG2 3.51Å; I1165-V1200 HydrophobicContact CB-CG1 4.23Å; I1165-V1200 HydrophobicContact CG2-CG1 3.55Å
1166Q98.7Very high98Very high15 Ų1542.3 Ų42.37%0.0721%0.207CC..Hα-helixtrans-60-41.4171.9-75.8179.284.200112.1N1162 L1169 E1170 V1200 K1203N1162-Q1166 WeakPolarHBondContact O-CB 3.28Å; N1162-Q1166 WeakPolarHBondContact O-CG 3.5Å; N1162-Q1166 PolarHBondContact O-N 3.27Å; N1162-Q1166 PolarHBondContact O-NE2 3.31Å; N1162-Q1166 PolarHBondContact OD1-NE2 2.91Å; Q1166-L1169 WeakPolarHBondContact O-CB 3.34Å; Q1166-L1169 PolarHBondContact O-N 2.9Å; Q1166-E1170 PolarHBondContact O-N 3.37Å; Q1166-V1200 HydrophobicContact CG-CG2 4.21Å; Q1166-K1203 HydrophobicContact CB-CG 3.94Å; Q1166-K1203 HydrophobicContact CG-CB 4.19Å; Q1166-K1203 HydrophobicContact CG-CG 3.55Å
1167H98.6Very high98Very high14 Ų1443.7 Ų43.77%0.06521%0.213CC..Hα-helixtrans-60.8-45.8177.5-169.9100.3000112Q1130 E1134 Y1163 V1164 I1165 L1169 E1170 H1171Q1130-H1167 HydrophobicContact CG-CB 4.08Å; E1134-H1167 VanDerWaalsContact CG-CE1 3.42Å; E1134-H1167 WeakPolarHBondContact CG-CE1 3.45Å; E1134-H1167 IonicContact OE1-CE1 3.98Å; E1134-H1167 PolarHBondContact OE1-CE1 3.45Å; E1134-H1167 IonicContact OE1-ND1 2.69Å; E1134-H1167 IonicContact OE1-NE2 2.65Å; Y1163-H1167 WeakPolarHBondContact O-CB 3.49Å; Y1163-H1167 PolarHBondContact O-N 2.81Å; V1164-H1167 WeakPolarHBondContact O-CB 2.94Å; V1164-H1167 PolarHBondContact O-N 2.99Å; I1165-H1167 VanDerWaalsContact C-N 3.32Å; I1165-H1167 PolarHBondContact O-N 3.11Å; H1167-L1169 VanDerWaalsContact C-N 3.34Å; H1167-L1169 PolarHBondContact O-N 3.18Å; H1167-E1170 PolarHBondContact O-N 3.49Å; H1167-H1171 AromaticContact CD2-ND1 3.79Å; H1167-H1171 AromaticContact CE1-CE1 3.67Å; H1167-H1171 AromaticContact CE1-ND1 3.04Å; H1167-H1171 PolarHBondContact CE1-ND1 2.82Å; H1167-H1171 AromaticContact ND1-ND1 3.66Å; H1167-H1171 AromaticContact NE2-CG 3.93Å; H1167-H1171 AromaticContact NE2-ND1 3.09Å; H1167-H1171 PolarHBondContact NE2-ND1 3.18Å; H1167-H1171 PolarHBondContact O-N 2.66Å
1168V98.6Very high98Very high5 Ų541.7 Ų41.73%0.0321%0.209CC..Hα-helixtrans-65-38.1176-179.20000111.3L1133 L1145 V1164 I1165 E1170 G1172 D1176 I1180L1133-V1168 HydrophobicContact CD1-CG2 3.89Å; L1145-V1168 HydrophobicContact CD2-CG1 4.08Å; L1145-V1168 HydrophobicContact CD2-CG2 3.83Å; V1164-V1168 PolarHBondContact O-N 3.49Å; V1164-V1168 VanDerWaalsContact O-N 3.08Å; I1165-V1168 PolarHBondContact O-N 3.27Å; V1168-E1170 VanDerWaalsContact C-N 3.29Å; V1168-E1170 PolarHBondContact O-N 2.91Å; V1168-G1172 VanDerWaalsContact O-CA 3.27Å; V1168-G1172 WeakPolarHBondContact O-CA 3.48Å; V1168-G1172 PolarHBondContact O-N 2.91Å; V1168-D1176 HydrophobicContact CG1-CB 3.72Å; V1168-I1180 HydrophobicContact CB-CD1 3.73Å; V1168-I1180 HydrophobicContact CG1-CD1 3.5Å
1169L98.5Very high98Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-63.1-31.6173.7-75.6169.7000113.2I1165 Q1166 H1167 K1177 I1180 V1181 V1200 K1203 A1204 N1207I1165-L1169 HydrophobicContact CG2-CD1 4.3Å; I1165-L1169 WeakPolarHBondContact O-CG 3.43Å; I1165-L1169 PolarHBondContact O-N 2.82Å; Q1166-L1169 WeakPolarHBondContact O-CB 3.34Å; Q1166-L1169 PolarHBondContact O-N 2.9Å; H1167-L1169 VanDerWaalsContact C-N 3.34Å; H1167-L1169 PolarHBondContact O-N 3.18Å; L1169-K1177 HydrophobicContact CD2-CB 4.48Å; L1169-K1177 VanDerWaalsContact O-CD 3.28Å; L1169-K1177 WeakPolarHBondContact O-CD 3.29Å; L1169-K1177 WeakPolarHBondContact O-CE 3.37Å; L1169-K1177 PolarHBondContact O-NZ 3.07Å; L1169-I1180 HydrophobicContact CD1-CG2 3.9Å; L1169-I1180 HydrophobicContact CD2-CB 4Å; L1169-I1180 HydrophobicContact CD2-CD1 4.49Å; L1169-I1180 HydrophobicContact CD2-CG2 3.76Å; L1169-I1180 HydrophobicContact CG-CB 4.43Å; L1169-I1180 HydrophobicContact CG-CD1 4.3Å; L1169-I1180 HydrophobicContact CG-CG2 3.87Å; L1169-V1181 HydrophobicContact CD2-CG2 4.33Å; L1169-V1200 HydrophobicContact CD1-CG1 3.65Å; L1169-K1203 HydrophobicContact CB-CB 4.25Å; L1169-K1203 HydrophobicContact CD1-CB 4.13Å; L1169-A1204 HydrophobicContact CD1-CB 3.96Å; L1169-A1204 HydrophobicContact CD2-CB 4.26Å; L1169-N1207 WeakPolarHBondContact O-CB 3.28Å; L1169-N1207 VanDerWaalsContact O-CG 3.22Å
1170E97.9Very high98Very high68 Ų6841.7 Ų41.732%0.31820%0.203SC..Hα-helixtrans-86-49179.6-72.9178.112500112.3Q1166 H1167 V1168 K1177 K1203Q1166-E1170 PolarHBondContact O-N 3.37Å; H1167-E1170 PolarHBondContact O-N 3.49Å; V1168-E1170 VanDerWaalsContact C-N 3.29Å; V1168-E1170 PolarHBondContact O-N 2.91Å; E1170-K1177 VanDerWaalsContact C-NZ 3.34Å; E1170-K1177 PolarHBondContact O-NZ 3.07Å; E1170-K1203 HydrophobicContact CG-CD 4.36Å; E1170-K1203 WeakPolarHBondContact OE1-CD 3.46Å; E1170-K1203 IonicContact OE1-NZ 3.41Å; E1170-K1203 PolarHBondContact OE1-NZ 3.5Å; E1170-K1203 IonicContact OE2-NZ 3.62Å; E1170-K1203 PolarHBondContact OE2-NZ 2.69Å
1171H96.2Very high98Very high129 Ų12940.2 Ų40.260%0.59720%0.198SC*.Hα-helixtrans-113.6-12.2-170.2-47.3143.9000115.4H1167H1167-H1171 AromaticContact CD2-ND1 3.79Å; H1167-H1171 AromaticContact CE1-CE1 3.67Å; H1167-H1171 AromaticContact CE1-ND1 3.04Å; H1167-H1171 PolarHBondContact CE1-ND1 2.82Å; H1167-H1171 AromaticContact ND1-ND1 3.66Å; H1167-H1171 AromaticContact NE2-CG 3.93Å; H1167-H1171 AromaticContact NE2-ND1 3.09Å; H1167-H1171 PolarHBondContact NE2-ND1 3.18Å; H1167-H1171 PolarHBondContact O-N 2.66Å
1172G95.8Very high97.9Very high24 Ų2445.8 Ų45.825%0.24722%0.223CC..SBendtrans-69.3170.6-178.100000114.2V1168 K1177V1168-G1172 VanDerWaalsContact O-CA 3.27Å; V1168-G1172 WeakPolarHBondContact O-CA 3.48Å; V1168-G1172 PolarHBondContact O-N 2.91Å; G1172-K1177 WeakPolarHBondContact O-CE 3.41Å
1173K96.3Very high97.8Very high100 Ų10048.9 Ų48.944%0.43524%0.238SC..  trans-65.4152.1174.6-59174.2-177.81740110.4E1175 D1176 K1177K1173-E1175 PolarHBondContact O-N 3.45Å; K1173-E1175 VanDerWaalsContact O-N 3.14Å; K1173-D1176 PolarHBondContact O-N 3.09Å; K1173-K1177 WeakPolarHBondContact O-CG 3.33Å; K1173-K1177 PolarHBondContact O-N 3.22Å
1174T96.8Very high97.8Very high105 Ų10546.5 Ų46.564%0.64423%0.228SC*.Hα-helixtrans-50.8-41.2177.6-46.50000112.3D1176 K1177 S1178T1174-D1176 PolarHBondContact O-N 3.31Å; T1174-K1177 PolarHBondContact O-N 2.93Å; T1174-S1178 WeakPolarHBondContact O-CB 3.44Å; T1174-S1178 PolarHBondContact O-N 3.13Å; T1174-S1178 PolarHBondContact O-OG 3.22Å
1175E97.2Very high97.7Very high124 Ų12450.2 Ų50.258%0.57925%0.245SC*.Hα-helixtrans-57.1-43.9176.5-63.9155.6-117.500113.1K1173 R1179K1173-E1175 PolarHBondContact O-N 3.45Å; K1173-E1175 VanDerWaalsContact O-N 3.14Å; E1175-R1179 VanDerWaalsContact O-CG 3.32Å; E1175-R1179 WeakPolarHBondContact O-CG 3.48Å; E1175-R1179 PolarHBondContact O-N 3.39Å; E1175-R1179 VanDerWaalsContact O-N 3.09Å
1176D98Very high97.5Very high10 Ų1053 Ų535%0.05327%0.274CS..Hα-helixtrans-71.3-38.2178.5-62-62.3000111.4H1149 V1168 K1173 T1174 R1179 I1180H1149-D1176 IonicContact CD2-OD1 3.03Å; H1149-D1176 IonicContact CE1-OD1 3.27Å; H1149-D1176 IonicContact NE2-OD1 2.68Å; H1149-D1176 PolarHBondContact NE2-OD1 3.27Å; V1168-D1176 HydrophobicContact CG1-CB 3.72Å; K1173-D1176 PolarHBondContact O-N 3.09Å; T1174-D1176 PolarHBondContact O-N 3.31Å; D1176-R1179 PolarHBondContact O-N 3.01Å; D1176-R1179 IonicContact OD1-NH1 2.74Å; D1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; D1176-I1180 PolarHBondContact O-N 3.39Å
1177K98.3Very high97.4Very high31 Ų3156.2 Ų56.214%0.13529%0.286CS..Hα-helixtrans-60.8-48173.5-59.7-171.4-175.3-150.90111L1169 E1170 G1172 K1173 T1174 R1179 I1180 V1181L1169-K1177 HydrophobicContact CD2-CB 4.48Å; L1169-K1177 VanDerWaalsContact O-CD 3.28Å; L1169-K1177 WeakPolarHBondContact O-CD 3.29Å; L1169-K1177 WeakPolarHBondContact O-CE 3.37Å; L1169-K1177 PolarHBondContact O-NZ 3.07Å; E1170-K1177 VanDerWaalsContact C-NZ 3.34Å; E1170-K1177 PolarHBondContact O-NZ 3.07Å; G1172-K1177 WeakPolarHBondContact O-CE 3.41Å; K1173-K1177 WeakPolarHBondContact O-CG 3.33Å; K1173-K1177 PolarHBondContact O-N 3.22Å; T1174-K1177 PolarHBondContact O-N 2.93Å; K1177-R1179 PolarHBondContact O-N 3.47Å; K1177-I1180 PolarHBondContact O-N 3.49Å; K1177-V1181 WeakPolarHBondContact O-CG2 3.38Å; K1177-V1181 PolarHBondContact O-N 3.36Å
1178S98.2Very high97.4Very high38 Ų3855.6 Ų55.627%0.26628%0.283SS..Hα-helixtrans-61.9-39.7178.8-68.40000112.9T1174 I1180 V1181 E1182 E1212T1174-S1178 WeakPolarHBondContact O-CB 3.44Å; T1174-S1178 PolarHBondContact O-N 3.13Å; T1174-S1178 PolarHBondContact O-OG 3.22Å; S1178-I1180 PolarHBondContact O-N 3Å; S1178-V1181 PolarHBondContact O-N 2.95Å; S1178-E1182 PolarHBondContact O-N 3.38Å; S1178-E1212 VanDerWaalsContact CA-OE1 3.26Å; S1178-E1212 WeakPolarHBondContact CA-OE1 3.49Å; S1178-E1212 WeakPolarHBondContact CB-OE1 3.27Å; S1178-E1212 PolarHBondContact OG-OE1 2.79Å
1179R98.1Very high97.2Very high122 Ų12256.3 Ų56.346%0.4629%0.29SS..Hα-helixtrans-59.2-44.6173.2-73.1170.1-170.4179.66.4112.1E1175 D1176 K1177 H1183E1175-R1179 VanDerWaalsContact O-CG 3.32Å; E1175-R1179 WeakPolarHBondContact O-CG 3.48Å; E1175-R1179 PolarHBondContact O-N 3.39Å; E1175-R1179 VanDerWaalsContact O-N 3.09Å; D1176-R1179 PolarHBondContact O-N 3.01Å; D1176-R1179 IonicContact OD1-NH1 2.74Å; K1177-R1179 PolarHBondContact O-N 3.47Å; R1179-H1183 PolarHBondContact O-N 3.09Å; R1179-H1183 PolarHBondContact O-ND1 2.88Å
1180I98.5Very high97.2Very high2 Ų261.9 Ų61.91%0.0131%0.314CS..Hα-helixtrans-67.6-39.3177.5-65.5161.4000111T1152 I1165 V1168 L1169 D1176 K1177 S1178 H1183 I1184T1152-I1180 HydrophobicContact CG2-CG1 4.47Å; I1165-I1180 HydrophobicContact CG2-CD1 4.09Å; I1165-I1180 HydrophobicContact CG2-CG1 4.32Å; I1165-I1180 HydrophobicContact CG2-CG2 3.51Å; V1168-I1180 HydrophobicContact CB-CD1 3.73Å; V1168-I1180 HydrophobicContact CG1-CD1 3.5Å; L1169-I1180 HydrophobicContact CD1-CG2 3.9Å; L1169-I1180 HydrophobicContact CD2-CB 4Å; L1169-I1180 HydrophobicContact CD2-CD1 4.49Å; L1169-I1180 HydrophobicContact CD2-CG2 3.76Å; L1169-I1180 HydrophobicContact CG-CB 4.43Å; L1169-I1180 HydrophobicContact CG-CD1 4.3Å; L1169-I1180 HydrophobicContact CG-CG2 3.87Å; D1176-I1180 WeakPolarHBondContact O-CG1 3.49Å; D1176-I1180 PolarHBondContact O-N 3.39Å; K1177-I1180 PolarHBondContact O-N 3.49Å; S1178-I1180 PolarHBondContact O-N 3Å; I1180-H1183 WeakPolarHBondContact O-CB 3.28Å; I1180-H1183 PolarHBondContact O-N 2.99Å; I1180-I1184 HydrophobicContact CG2-CD1 4.02Å; I1180-I1184 WeakPolarHBondContact O-CG1 3.33Å; I1180-I1184 PolarHBondContact O-N 3.11Å
1181V98.4Very high97.2Very high3 Ų359.1 Ų59.12%0.01830%0.301CS..Hα-helixtrans-62.8-43177.4163.80000112.2L1169 K1177 S1178 H1183 I1184 K1185 A1204 A1208 E1212 L1216L1169-V1181 HydrophobicContact CD2-CG2 4.33Å; K1177-V1181 WeakPolarHBondContact O-CG2 3.38Å; K1177-V1181 PolarHBondContact O-N 3.36Å; S1178-V1181 PolarHBondContact O-N 2.95Å; V1181-H1183 PolarHBondContact O-N 3.22Å; V1181-I1184 PolarHBondContact O-N 3.02Å; V1181-K1185 PolarHBondContact O-N 3.13Å; V1181-A1204 HydrophobicContact CG2-CB 4.33Å; V1181-A1208 HydrophobicContact CG2-CB 4.03Å; V1181-E1212 HydrophobicContact CG1-CB 3.95Å; V1181-E1212 HydrophobicContact CG1-CG 3.96Å; V1181-L1216 HydrophobicContact CG1-CD1 4.16Å; V1181-L1216 HydrophobicContact CG1-CD2 4.48Å; V1181-L1216 HydrophobicContact CG1-CG 4.44Å
1182E97.1Very high97.3Very high116 Ų11653 Ų5354%0.54227%0.273SS..Hα-helixtrans-65.4-27.7178.1-165.664.7-159.500111.9S1178 K1185S1178-E1182 PolarHBondContact O-N 3.38Å; E1182-K1185 WeakPolarHBondContact OE1-CD 3.35Å; E1182-K1185 IonicContact OE1-NZ 3.65Å; E1182-K1185 PolarHBondContact OE1-NZ 2.97Å; E1182-K1185 WeakPolarHBondContact OE2-CD 3.47Å; E1182-K1185 IonicContact OE2-NZ 3.4Å; E1182-K1185 PolarHBondContact OE2-NZ 3.18Å
1183H96.6Very high97.3Very high66 Ų6654.2 Ų54.231%0.30628%0.275SS..Hα-helixtrans-71.6-28.3168.5-71.485.5000112.9T1152 D1153 R1179 I1180 V1181 R1187T1152-H1183 HydrophobicContact CG2-CB 3.9Å; D1153-H1183 IonicContact OD1-CD2 3.65Å; D1153-H1183 PolarHBondContact OD1-CD2 3.29Å; R1179-H1183 PolarHBondContact O-N 3.09Å; R1179-H1183 PolarHBondContact O-ND1 2.88Å; I1180-H1183 WeakPolarHBondContact O-CB 3.28Å; I1180-H1183 PolarHBondContact O-N 2.99Å; V1181-H1183 PolarHBondContact O-N 3.22Å; H1183-R1187 VanDerWaalsContact O-CZ 3.25Å; H1183-R1187 PolarHBondContact O-NE 3.14Å; H1183-R1187 PolarHBondContact O-NH2 3.22Å
1184I97.9Very high97.4Very high1 Ų152.6 Ų52.61%0.00527%0.269CS..Hα-helixtrans-81.3-33.1-179.2-69167.4000111.7I1180 V1181 R1187 V1188 L1191 V1200 V1201 A1204 L1216I1180-I1184 HydrophobicContact CG2-CD1 4.02Å; I1180-I1184 WeakPolarHBondContact O-CG1 3.33Å; I1180-I1184 PolarHBondContact O-N 3.11Å; V1181-I1184 PolarHBondContact O-N 3.02Å; I1184-R1187 CarbonylContact O-C 3.47Å; I1184-R1187 VanDerWaalsContact O-C 3.31Å; I1184-R1187 WeakPolarHBondContact O-CA 3.28Å; I1184-R1187 PolarHBondContact O-N 3.07Å; I1184-R1187 VanDerWaalsContact O-N 3.15Å; I1184-V1188 HydrophobicContact CG2-CG2 4.08Å; I1184-V1188 PolarHBondContact O-N 3.22Å; I1184-V1188 VanDerWaalsContact O-N 3.13Å; I1184-L1191 HydrophobicContact CB-CD1 4.29Å; I1184-L1191 HydrophobicContact CG1-CD1 4.09Å; I1184-L1191 HydrophobicContact CG2-CD1 4.23Å; I1184-V1200 HydrophobicContact CD1-CG1 4.13Å; I1184-V1201 HydrophobicContact CG2-CG1 4.44Å; I1184-V1201 HydrophobicContact CG2-CG2 4.05Å; I1184-A1204 HydrophobicContact CD1-CB 3.46Å; I1184-A1204 VanDerWaalsContact CD1-CB 3.46Å; I1184-L1216 HydrophobicContact CG2-CD2 4.07Å
1185K96.6Very high97.5Very high79 Ų7953.3 Ų53.334%0.34326%0.263SS..THydrogen-bonded Turntrans-58.8145.7175.5-174-172.2175.9-164.10112.4V1181 E1182 R1187 L1216 E1219V1181-K1185 PolarHBondContact O-N 3.13Å; E1182-K1185 WeakPolarHBondContact OE1-CD 3.35Å; E1182-K1185 IonicContact OE1-NZ 3.65Å; E1182-K1185 PolarHBondContact OE1-NZ 2.97Å; E1182-K1185 WeakPolarHBondContact OE2-CD 3.47Å; E1182-K1185 IonicContact OE2-NZ 3.4Å; E1182-K1185 PolarHBondContact OE2-NZ 3.18Å; K1185-R1187 PolarHBondContact O-N 2.89Å; K1185-R1187 VanDerWaalsContact O-N 3.16Å; K1185-L1216 HydrophobicContact CB-CD2 4.2Å; K1185-E1219 WeakPolarHBondContact CA-OE2 3.43Å
1186G95.4Very high97.6Very high62 Ų6249.9 Ų49.964%0.63925%0.247SC*.THydrogen-bonded Turntrans671-169.400000114.3E1219G1186-E1219 WeakPolarHBondContact CA-OE1 3.35Å; G1186-E1219 PolarHBondContact N-OE1 3.4Å; G1186-E1219 PolarHBondContact N-OE2 3.38Å
1187R96.6Very high97.6Very high82 Ų8249.4 Ų49.431%0.30924%0.244SC..  trans-139.38.6-172.8-57.1-168.9-69.7-179.84.3113.1D1153 H1183 I1184 K1185 A1189 K1190 L1191 E1219D1153-R1187 IonicContact OD1-CZ 2.68Å; D1153-R1187 IonicContact OD1-NH1 3.63Å; D1153-R1187 IonicContact OD1-NH2 2.73Å; D1153-R1187 PolarHBondContact OD1-NH2 2.84Å; D1153-R1187 IonicContact OD2-CZ 2.81Å; D1153-R1187 IonicContact OD2-NH1 2.69Å; D1153-R1187 PolarHBondContact OD2-NH1 3.31Å; D1153-R1187 IonicContact OD2-NH2 3.73Å; D1153-R1187 PolarHBondContact OD2-NH2 3.01Å; H1183-R1187 VanDerWaalsContact O-CZ 3.25Å; H1183-R1187 PolarHBondContact O-NE 3.14Å; H1183-R1187 PolarHBondContact O-NH2 3.22Å; I1184-R1187 CarbonylContact O-C 3.47Å; I1184-R1187 VanDerWaalsContact O-C 3.31Å; I1184-R1187 WeakPolarHBondContact O-CA 3.28Å; I1184-R1187 PolarHBondContact O-N 3.07Å; I1184-R1187 VanDerWaalsContact O-N 3.15Å; K1185-R1187 PolarHBondContact O-N 2.89Å; K1185-R1187 VanDerWaalsContact O-N 3.16Å; R1187-A1189 VanDerWaalsContact C-N 3.32Å; R1187-A1189 PolarHBondContact O-N 3.31Å; R1187-K1190 PolarHBondContact O-N 3.26Å; R1187-K1190 VanDerWaalsContact O-N 3.11Å; R1187-L1191 HydrophobicContact CB-CD1 4.11Å; R1187-L1191 HydrophobicContact CB-CG 4.28Å; R1187-L1191 WeakPolarHBondContact O-CG 3.49Å; R1187-L1191 PolarHBondContact O-N 3.08Å; R1187-E1219 PolarHBondContact N-OE1 3.23Å
1188V97.6Very high97.6Very high0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-53.6-48.3-176.71720000110.7I1184 L1191 S1192 V1201 L1216 E1219 I1220 M1269 M1282I1184-V1188 HydrophobicContact CG2-CG2 4.08Å; I1184-V1188 PolarHBondContact O-N 3.22Å; I1184-V1188 VanDerWaalsContact O-N 3.13Å; V1188-L1191 PolarHBondContact O-N 3.19Å; V1188-S1192 WeakPolarHBondContact O-CB 3.45Å; V1188-S1192 PolarHBondContact O-N 3.41Å; V1188-S1192 PolarHBondContact O-OG 3.26Å; V1188-V1201 HydrophobicContact CG1-CG1 4.11Å; V1188-L1216 HydrophobicContact CG2-CB 4.38Å; V1188-L1216 HydrophobicContact CG2-CD2 3.66Å; V1188-E1219 VanDerWaalsContact CB-OE1 3.25Å; V1188-E1219 WeakPolarHBondContact CB-OE1 3.3Å; V1188-E1219 WeakPolarHBondContact CG2-OE1 3.5Å; V1188-E1219 WeakPolarHBondContact CG2-OE2 3.44Å; V1188-E1219 PolarHBondContact N-OE1 3.36Å; V1188-I1220 HydrophobicContact CB-CG2 4.25Å; V1188-I1220 HydrophobicContact CG1-CG2 3.67Å; V1188-M1269 HydrophobicContact CG1-CE 4.41Å; V1188-M1282 HydrophobicContact CG1-CE 3.86Å
1189A96.2Very high97.6Very high21 Ų2149.1 Ų49.117%0.17424%0.241CC..Hα-helixtrans-62.2-46.3178.800000112.8R1187 L1191 S1192 V1193 V1265 M1268 M1269R1187-A1189 VanDerWaalsContact C-N 3.32Å; R1187-A1189 PolarHBondContact O-N 3.31Å; A1189-L1191 VanDerWaalsContact C-N 3.35Å; A1189-L1191 PolarHBondContact O-N 2.96Å; A1189-S1192 PolarHBondContact O-N 3.43Å; A1189-V1193 PolarHBondContact O-N 2.79Å; A1189-V1265 HydrophobicContact CB-CG1 3.51Å; A1189-M1268 HydrophobicContact CB-CE 4.3Å; A1189-M1269 HydrophobicContact CB-SD 4.11Å
1190K96.7Very high97.7Very high116 Ų11643.3 Ų43.350%0.50422%0.219SC..Hα-helixtrans-65.3-36.1-179.5-175.7172.4-177.91740112.2R1187R1187-K1190 PolarHBondContact O-N 3.26Å; R1187-K1190 VanDerWaalsContact O-N 3.11Å
1191L98.3Very high97.7Very high11 Ų1143.2 Ų43.26%0.05822%0.219CC..Hα-helixtrans-80.7-32.1178.6-64.1174.7000112.4V1156 I1184 R1187 V1188 A1189 V1193 H1194 A1197 S1198 V1201V1156-L1191 HydrophobicContact CG1-CD1 4.37Å; V1156-L1191 HydrophobicContact CG1-CD2 4.03Å; I1184-L1191 HydrophobicContact CB-CD1 4.29Å; I1184-L1191 HydrophobicContact CG1-CD1 4.09Å; I1184-L1191 HydrophobicContact CG2-CD1 4.23Å; R1187-L1191 HydrophobicContact CB-CD1 4.11Å; R1187-L1191 HydrophobicContact CB-CG 4.28Å; R1187-L1191 WeakPolarHBondContact O-CG 3.49Å; R1187-L1191 PolarHBondContact O-N 3.08Å; V1188-L1191 PolarHBondContact O-N 3.19Å; A1189-L1191 VanDerWaalsContact C-N 3.35Å; A1189-L1191 PolarHBondContact O-N 2.96Å; L1191-V1193 PolarHBondContact O-N 3.5Å; L1191-H1194 PolarHBondContact O-N 2.95Å; L1191-A1197 HydrophobicContact CB-CB 4.12Å; L1191-A1197 HydrophobicContact CD2-CB 4Å; L1191-A1197 CarbonylContact O-C 3.35Å; L1191-A1197 WeakPolarHBondContact O-CB 3.45Å; L1191-S1198 PolarHBondContact O-N 2.67Å; L1191-V1201 HydrophobicContact CB-CG2 3.65Å
1192S98.4Very high97.7Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-67.8-31.8-179.1-63.40000113.8V1188 A1189 H1194 S1198 M1269 F1274 A1275V1188-S1192 WeakPolarHBondContact O-CB 3.45Å; V1188-S1192 PolarHBondContact O-N 3.41Å; V1188-S1192 PolarHBondContact O-OG 3.26Å; A1189-S1192 PolarHBondContact O-N 3.43Å; S1192-H1194 PolarHBondContact O-N 2.96Å; S1192-S1198 VanDerWaalsContact O-CB 3.25Å; S1192-S1198 WeakPolarHBondContact O-CB 3.48Å; S1192-M1269 WeakPolarHBondContact OG-CE 3.3Å; S1192-F1274 CarbonylContact O-C 3.58Å; S1192-F1274 WeakPolarHBondContact O-CB 3.48Å; S1192-A1275 VanDerWaalsContact O-CA 3.31Å; S1192-A1275 WeakPolarHBondContact O-CA 3.4Å; S1192-A1275 WeakPolarHBondContact O-CB 3.5Å; S1192-A1275 PolarHBondContact O-N 2.85Å; S1192-A1275 VanDerWaalsContact O-N 3.12Å
1193V97.3Very high97.7Very high50 Ų5042 Ų4230%0.30321%0.212SC..THydrogen-bonded Turntrans-81.95.6177.4-59.80000113.6A1189 L1191 M1268 D1272 F1274 A1275A1189-V1193 PolarHBondContact O-N 2.79Å; L1191-V1193 PolarHBondContact O-N 3.5Å; V1193-M1268 HydrophobicContact CG1-CE 4.41Å; V1193-D1272 WeakPolarHBondContact CA-OD2 3.43Å; V1193-D1272 HydrophobicContact CG1-CB 4.17Å; V1193-F1274 WeakPolarHBondContact O-CD2 3.49Å; V1193-A1275 HydrophobicContact CG1-CB 3.98Å
1194H98.2Very high97.8Very high66 Ų6638.8 Ų38.831%0.30620%0.198SC..SBendtrans-112127.9-175.1173.8-80.2000111.7K1157 L1191 S1192 F1196 A1197 S1198K1157-H1194 PolarHBondContact O-CE1 2.82Å; K1157-H1194 VanDerWaalsContact O-CE1 3.28Å; L1191-H1194 PolarHBondContact O-N 2.95Å; S1192-H1194 PolarHBondContact O-N 2.96Å; H1194-F1196 VanDerWaalsContact C-N 3.3Å; H1194-F1196 AromaticContact CE1-CD2 3.97Å; H1194-F1196 PolarHBondContact ND1-N 3.18Å; H1194-F1196 PolarHBondContact O-N 2.92Å; H1194-A1197 HydrophobicContact CB-CB 4.2Å; H1194-A1197 WeakPolarHBondContact ND1-CB 3.44Å; H1194-A1197 PolarHBondContact ND1-N 3.06Å; H1194-A1197 PolarHBondContact O-N 3.5Å; H1194-S1198 VanDerWaalsContact O-CB 3.31Å; H1194-S1198 WeakPolarHBondContact O-CB 3.27Å; H1194-S1198 PolarHBondContact O-N 2.95Å; H1194-S1198 PolarHBondContact O-OG 2.81Å
1195K98.1Very high97.8Very high119 Ų11938.8 Ų38.852%0.51720%0.197SC..THydrogen-bonded Turntrans-44.3-41.8-168.3-179.3177.4172.163.40116.4S1198 N1199 F1274K1195-S1198 PolarHBondContact O-OG 3.13Å; K1195-N1199 PolarHBondContact O-ND2 2.9Å; K1195-F1274 HydrophobicContact CB-CE1 3.98Å; K1195-F1274 HydrophobicContact CB-CE2 3.98Å; K1195-F1274 HydrophobicContact CB-CZ 3.68Å; K1195-F1274 HydrophobicContact CD-CZ 4.49Å; K1195-F1274 HydrophobicContact CG-CE1 3.92Å; K1195-F1274 HydrophobicContact CG-CZ 3.94Å
1196F98.4Very high97.9Very high52 Ų5236.7 Ų36.723%0.22820%0.195CC..THydrogen-bonded Turntrans-96.5-56.2-176.9-57-65000111.5K1157 Q1159 N1162 H1194 S1198 N1199K1157-F1196 WeakPolarHBondContact O-CD2 3.22Å; Q1159-F1196 HydrophobicContact CB-CD1 4.34Å; Q1159-F1196 HydrophobicContact CB-CD2 4.25Å; Q1159-F1196 HydrophobicContact CB-CE1 3.8Å; Q1159-F1196 HydrophobicContact CB-CE2 3.7Å; Q1159-F1196 HydrophobicContact CB-CZ 3.45Å; Q1159-F1196 VanDerWaalsContact CB-CZ 3.45Å; N1162-F1196 HydrophobicContact CB-CB 4.17Å; H1194-F1196 VanDerWaalsContact C-N 3.3Å; H1194-F1196 AromaticContact CE1-CD2 3.97Å; H1194-F1196 PolarHBondContact ND1-N 3.18Å; H1194-F1196 PolarHBondContact O-N 2.92Å; F1196-S1198 PolarHBondContact O-N 2.85Å; F1196-S1198 VanDerWaalsContact O-N 3.1Å; F1196-N1199 WeakPolarHBondContact O-CB 3.29Å; F1196-N1199 PolarHBondContact O-N 3.13Å; F1196-N1199 VanDerWaalsContact O-N 3.09Å; F1196-N1199 PolarHBondContact O-ND2 3.35Å
1197A98.6Very high98Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-49.3-32.1175.600000115.7V1156 L1191 H1194 N1199 V1200 V1201V1156-A1197 HydrophobicContact CG1-CB 3.68Å; V1156-A1197 WeakPolarHBondContact O-CA 3.26Å; V1156-A1197 WeakPolarHBondContact O-CB 3.12Å; V1156-A1197 PolarHBondContact O-N 3.35Å; L1191-A1197 HydrophobicContact CB-CB 4.12Å; L1191-A1197 HydrophobicContact CD2-CB 4Å; L1191-A1197 CarbonylContact O-C 3.35Å; L1191-A1197 WeakPolarHBondContact O-CB 3.45Å; H1194-A1197 HydrophobicContact CB-CB 4.2Å; H1194-A1197 WeakPolarHBondContact ND1-CB 3.44Å; H1194-A1197 PolarHBondContact ND1-N 3.06Å; H1194-A1197 PolarHBondContact O-N 3.5Å; A1197-N1199 VanDerWaalsContact C-N 3.3Å; A1197-N1199 PolarHBondContact O-N 3.49Å; A1197-V1200 CarbonylContact O-C 3.09Å; A1197-V1200 WeakPolarHBondContact O-CA 3.5Å; A1197-V1200 VanDerWaalsContact O-CB 3.31Å; A1197-V1200 WeakPolarHBondContact O-CB 3.41Å; A1197-V1200 PolarHBondContact O-N 3.45Å; A1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; A1197-V1201 PolarHBondContact O-N 3.34Å
1198S98.7Very high98.1Very high5 Ų532.7 Ų32.74%0.03517%0.166CC..Hα-helixtrans-56.4-41.2176.459.60000113.1L1191 S1192 H1194 K1195 F1196 V1200 V1201 E1202L1191-S1198 PolarHBondContact O-N 2.67Å; S1192-S1198 VanDerWaalsContact O-CB 3.25Å; S1192-S1198 WeakPolarHBondContact O-CB 3.48Å; H1194-S1198 VanDerWaalsContact O-CB 3.31Å; H1194-S1198 WeakPolarHBondContact O-CB 3.27Å; H1194-S1198 PolarHBondContact O-N 2.95Å; H1194-S1198 PolarHBondContact O-OG 2.81Å; K1195-S1198 PolarHBondContact O-OG 3.13Å; F1196-S1198 PolarHBondContact O-N 2.85Å; F1196-S1198 VanDerWaalsContact O-N 3.1Å; S1198-V1200 VanDerWaalsContact C-N 3.29Å; S1198-V1200 PolarHBondContact O-N 2.97Å; S1198-V1201 PolarHBondContact O-N 3.05Å; S1198-E1202 PolarHBondContact O-N 3.01Å
1199N98.7Very high98Very high58 Ų5835.2 Ų35.231%0.3118%0.183SC..Hα-helixtrans-63.9-36.3174.6-48.9-92000111K1195 F1196 A1197 E1202 K1203K1195-N1199 PolarHBondContact O-ND2 2.9Å; F1196-N1199 WeakPolarHBondContact O-CB 3.29Å; F1196-N1199 PolarHBondContact O-N 3.13Å; F1196-N1199 VanDerWaalsContact O-N 3.09Å; F1196-N1199 PolarHBondContact O-ND2 3.35Å; A1197-N1199 VanDerWaalsContact C-N 3.3Å; A1197-N1199 PolarHBondContact O-N 3.49Å; N1199-E1202 WeakPolarHBondContact O-CB 3.37Å; N1199-E1202 PolarHBondContact O-N 3.41Å; N1199-K1203 WeakPolarHBondContact O-CG 3.32Å; N1199-K1203 PolarHBondContact O-N 3.26Å
1200V98.8Very high98Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-67.5-41.1176-164.90000110.8V1156 N1162 I1165 Q1166 L1169 I1184 A1197 S1198 E1202 K1203 A1204V1156-V1200 HydrophobicContact CG1-CB 4.32Å; V1156-V1200 HydrophobicContact CG1-CG1 4.48Å; V1156-V1200 HydrophobicContact CG1-CG2 4.34Å; V1156-V1200 HydrophobicContact CG2-CG1 4.27Å; N1162-V1200 HydrophobicContact CB-CG2 3.77Å; I1165-V1200 HydrophobicContact CB-CG1 4.23Å; I1165-V1200 HydrophobicContact CG2-CG1 3.55Å; Q1166-V1200 HydrophobicContact CG-CG2 4.21Å; L1169-V1200 HydrophobicContact CD1-CG1 3.65Å; I1184-V1200 HydrophobicContact CD1-CG1 4.13Å; A1197-V1200 CarbonylContact O-C 3.09Å; A1197-V1200 WeakPolarHBondContact O-CA 3.5Å; A1197-V1200 VanDerWaalsContact O-CB 3.31Å; A1197-V1200 WeakPolarHBondContact O-CB 3.41Å; A1197-V1200 PolarHBondContact O-N 3.45Å; S1198-V1200 VanDerWaalsContact C-N 3.29Å; S1198-V1200 PolarHBondContact O-N 2.97Å; V1200-E1202 VanDerWaalsContact C-N 3.34Å; V1200-K1203 PolarHBondContact O-N 3.07Å; V1200-A1204 VanDerWaalsContact O-CB 3.31Å; V1200-A1204 WeakPolarHBondContact O-CB 3.32Å; V1200-A1204 PolarHBondContact O-N 2.89Å
1201V98.7Very high98Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-62.6-41172.1-175.40000110.8I1184 V1188 L1191 A1197 S1198 K1203 A1204 V1205 V1278I1184-V1201 HydrophobicContact CG2-CG1 4.44Å; I1184-V1201 HydrophobicContact CG2-CG2 4.05Å; V1188-V1201 HydrophobicContact CG1-CG1 4.11Å; L1191-V1201 HydrophobicContact CB-CG2 3.65Å; A1197-V1201 WeakPolarHBondContact O-CG2 3.39Å; A1197-V1201 PolarHBondContact O-N 3.34Å; S1198-V1201 PolarHBondContact O-N 3.05Å; V1201-K1203 PolarHBondContact O-N 3.26Å; V1201-A1204 PolarHBondContact O-N 3.49Å; V1201-V1205 HydrophobicContact CG1-CG2 4.15Å; V1201-V1205 WeakPolarHBondContact O-CB 3.39Å; V1201-V1205 VanDerWaalsContact O-CG2 3.32Å; V1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; V1201-V1205 PolarHBondContact O-N 2.86Å; V1201-V1278 HydrophobicContact CB-CG1 4.39Å; V1201-V1278 HydrophobicContact CB-CG2 4.22Å; V1201-V1278 HydrophobicContact CG1-CG1 3.62Å; V1201-V1278 HydrophobicContact CG1-CG2 4.33Å
1202E98.7Very high98Very high37 Ų3742.5 Ų42.517%0.17322%0.216CC..Hα-helixtrans-59.5-44.8173.3-79.2-162.2-111.700112.8S1198 N1199 V1200 A1206 Y1277 V1278 K1281S1198-E1202 PolarHBondContact O-N 3.01Å; N1199-E1202 WeakPolarHBondContact O-CB 3.37Å; N1199-E1202 PolarHBondContact O-N 3.41Å; V1200-E1202 VanDerWaalsContact C-N 3.34Å; E1202-A1206 VanDerWaalsContact O-CB 3.25Å; E1202-A1206 WeakPolarHBondContact O-CB 3.39Å; E1202-A1206 PolarHBondContact O-N 3.12Å; E1202-A1206 VanDerWaalsContact O-N 3.12Å; E1202-Y1277 VanDerWaalsContact OE1-CB 3.31Å; E1202-Y1277 WeakPolarHBondContact OE1-CB 3.43Å; E1202-V1278 HydrophobicContact CG-CG2 4.08Å; E1202-K1281 HydrophobicContact CB-CB 4.4Å; E1202-K1281 HydrophobicContact CB-CG 4.14Å; E1202-K1281 HydrophobicContact CG-CB 3.85Å; E1202-K1281 HydrophobicContact CG-CG 4.15Å; E1202-K1281 WeakPolarHBondContact OE2-CE 3.43Å; E1202-K1281 IonicContact OE2-NZ 2.79Å
1203K98.5Very high97.9Very high56 Ų5644.1 Ų44.124%0.24322%0.223CC..Hα-helixtrans-69-36.1176.3-62.7-47.1-179.993.70112.1Q1166 L1169 E1170 N1199 V1200 V1201 A1206 N1207Q1166-K1203 HydrophobicContact CB-CG 3.94Å; Q1166-K1203 HydrophobicContact CG-CB 4.19Å; Q1166-K1203 HydrophobicContact CG-CG 3.55Å; L1169-K1203 HydrophobicContact CB-CB 4.25Å; L1169-K1203 HydrophobicContact CD1-CB 4.13Å; E1170-K1203 HydrophobicContact CG-CD 4.36Å; E1170-K1203 WeakPolarHBondContact OE1-CD 3.46Å; E1170-K1203 IonicContact OE1-NZ 3.41Å; E1170-K1203 PolarHBondContact OE1-NZ 3.5Å; E1170-K1203 IonicContact OE2-NZ 3.62Å; E1170-K1203 PolarHBondContact OE2-NZ 2.69Å; N1199-K1203 WeakPolarHBondContact O-CG 3.32Å; N1199-K1203 PolarHBondContact O-N 3.26Å; V1200-K1203 PolarHBondContact O-N 3.07Å; V1201-K1203 PolarHBondContact O-N 3.26Å; K1203-A1206 PolarHBondContact O-N 2.56Å; K1203-N1207 WeakPolarHBondContact O-CB 3.46Å; K1203-N1207 PolarHBondContact O-N 2.93Å; K1203-N1207 PolarHBondContact O-ND2 3.2Å
1204A98.6Very high97.9Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-65-52.6177.800000111.1L1169 V1181 I1184 V1200 V1201 A1206 N1207 A1208 L1216L1169-A1204 HydrophobicContact CD1-CB 3.96Å; L1169-A1204 HydrophobicContact CD2-CB 4.26Å; V1181-A1204 HydrophobicContact CG2-CB 4.33Å; I1184-A1204 HydrophobicContact CD1-CB 3.46Å; I1184-A1204 VanDerWaalsContact CD1-CB 3.46Å; V1200-A1204 VanDerWaalsContact O-CB 3.31Å; V1200-A1204 WeakPolarHBondContact O-CB 3.32Å; V1200-A1204 PolarHBondContact O-N 2.89Å; V1201-A1204 PolarHBondContact O-N 3.49Å; A1204-A1206 PolarHBondContact O-N 3.31Å; A1204-N1207 PolarHBondContact O-N 3.22Å; A1204-A1208 WeakPolarHBondContact O-CB 3.33Å; A1204-A1208 PolarHBondContact O-N 3.15Å; A1204-L1216 HydrophobicContact CB-CD1 4.42Å
1205V98Very high97.7Very high0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-60.4-32.4177.5175.30000111.7V1201 R1213 L1216 M1282 V1285V1201-V1205 HydrophobicContact CG1-CG2 4.15Å; V1201-V1205 WeakPolarHBondContact O-CB 3.39Å; V1201-V1205 VanDerWaalsContact O-CG2 3.32Å; V1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; V1201-V1205 PolarHBondContact O-N 2.86Å; V1205-R1213 HydrophobicContact CG1-CG 4.49Å; V1205-R1213 WeakPolarHBondContact O-CD 3.44Å; V1205-L1216 HydrophobicContact CG2-CB 4.15Å; V1205-L1216 HydrophobicContact CG2-CD1 3.97Å; V1205-M1282 HydrophobicContact CG1-CG 3.8Å; V1205-M1282 HydrophobicContact CG2-CE 4.03Å; V1205-M1282 HydrophobicContact CG2-CG 4.47Å; V1205-V1285 HydrophobicContact CG1-CG2 3.67Å; V1205-V1285 WeakPolarHBondContact O-CG2 3.26Å
1206A98Very high97.7Very high36 Ų3638.9 Ų38.930%0.29820%0.201SC..Hα-helixtrans-72.9-41.3175.900000114.5E1202 K1203 A1204 K1281E1202-A1206 VanDerWaalsContact O-CB 3.25Å; E1202-A1206 WeakPolarHBondContact O-CB 3.39Å; E1202-A1206 PolarHBondContact O-N 3.12Å; E1202-A1206 VanDerWaalsContact O-N 3.12Å; K1203-A1206 PolarHBondContact O-N 2.56Å; A1204-A1206 PolarHBondContact O-N 3.31Å; A1206-K1281 HydrophobicContact CB-CD 4.33Å
1207N97.7Very high97.6Very high53 Ų5336.4 Ų36.428%0.28319%0.191SC..Hα-helixtrans-104.2-10.2-170-68.8-83.1000115L1169 K1203 A1204L1169-N1207 WeakPolarHBondContact O-CB 3.28Å; L1169-N1207 VanDerWaalsContact O-CG 3.22Å; K1203-N1207 WeakPolarHBondContact O-CB 3.46Å; K1203-N1207 PolarHBondContact O-N 2.93Å; K1203-N1207 PolarHBondContact O-ND2 3.2Å; A1204-N1207 PolarHBondContact O-N 3.22Å
1208A97.3Very high97.4Very high7 Ų738.9 Ų38.96%0.05820%0.204CC..SBendtrans-60.9157.7175.300000112.2V1181 A1204 E1212 R1213V1181-A1208 HydrophobicContact CG2-CB 4.03Å; A1204-A1208 WeakPolarHBondContact O-CB 3.33Å; A1204-A1208 PolarHBondContact O-N 3.15Å; A1208-E1212 HydrophobicContact CB-CB 3.75Å; A1208-R1213 HydrophobicContact CB-CB 4.36Å; A1208-R1213 PolarHBondContact O-NH1 3.27Å
1209S96.8Very high97.2Very high52 Ų5240.6 Ų40.636%0.36421%0.211SC..  trans-61167.5169.172.40000111.4V1211 E1212 R1213S1209-V1211 VanDerWaalsContact C-N 3.3Å; S1209-V1211 PolarHBondContact O-N 3.35Å; S1209-E1212 WeakPolarHBondContact CA-OE2 3.24Å; S1209-E1212 WeakPolarHBondContact CB-OE2 3.4Å; S1209-E1212 PolarHBondContact N-OE2 3.22Å; S1209-E1212 PolarHBondContact O-N 2.9Å; S1209-E1212 VanDerWaalsContact OG-CD 3.25Å; S1209-E1212 WeakPolarHBondContact OG-CG 3.25Å; S1209-E1212 PolarHBondContact OG-N 3.25Å; S1209-E1212 PolarHBondContact OG-OE2 3.44Å; S1209-R1213 VanDerWaalsContact O-CB 3.29Å; S1209-R1213 WeakPolarHBondContact O-CB 3.31Å; S1209-R1213 PolarHBondContact O-N 2.92Å
1210R96Very high96.9Very high155 Ų15537.9 Ų37.959%0.58520%0.197SC*.Hα-helixtrans-52.7-45.7178.3-174178.8-152-135.9-4.5113.1Q1214 E1287R1210-Q1214 WeakPolarHBondContact O-CB 3.19Å; R1210-Q1214 PolarHBondContact O-N 3.49Å; R1210-Q1214 VanDerWaalsContact O-N 3.1Å; R1210-E1287 IonicContact CZ-OE2 3.96Å; R1210-E1287 VanDerWaalsContact CZ-OE2 3.3Å; R1210-E1287 IonicContact NE-OE1 3.3Å; R1210-E1287 IonicContact NE-OE2 3.62Å; R1210-E1287 PolarHBondContact NE-OE2 2.98Å; R1210-E1287 IonicContact NH2-OE2 3.76Å; R1210-E1287 PolarHBondContact NH2-OE2 2.83Å
1211V96.2Very high96.5Very high112 Ų11239.3 Ų39.368%0.67920%0.204SC*.Hα-helixtrans-72-44.7-175.8-178.40000110.7S1209 Q1214 S1215S1209-V1211 VanDerWaalsContact C-N 3.3Å; S1209-V1211 PolarHBondContact O-N 3.35Å; V1211-Q1214 WeakPolarHBondContact O-CB 3.32Å; V1211-Q1214 PolarHBondContact O-N 3.44Å; V1211-S1215 PolarHBondContact O-N 3.01Å
1212E97.6Very high95.8Very high35 Ų3545.1 Ų45.116%0.16423%0.232CC..Hα-helixtrans-63.2-47.8176.4-74.3164.8140.500112.2S1178 V1181 A1208 S1209 Q1214 S1215 L1216S1178-E1212 VanDerWaalsContact CA-OE1 3.26Å; S1178-E1212 WeakPolarHBondContact CA-OE1 3.49Å; S1178-E1212 WeakPolarHBondContact CB-OE1 3.27Å; S1178-E1212 PolarHBondContact OG-OE1 2.79Å; V1181-E1212 HydrophobicContact CG1-CB 3.95Å; V1181-E1212 HydrophobicContact CG1-CG 3.96Å; A1208-E1212 HydrophobicContact CB-CB 3.75Å; S1209-E1212 WeakPolarHBondContact CA-OE2 3.24Å; S1209-E1212 WeakPolarHBondContact CB-OE2 3.4Å; S1209-E1212 PolarHBondContact N-OE2 3.22Å; S1209-E1212 PolarHBondContact O-N 2.9Å; S1209-E1212 VanDerWaalsContact OG-CD 3.25Å; S1209-E1212 WeakPolarHBondContact OG-CG 3.25Å; S1209-E1212 PolarHBondContact OG-N 3.25Å; S1209-E1212 PolarHBondContact OG-OE2 3.44Å; E1212-Q1214 PolarHBondContact O-N 2.89Å; E1212-S1215 WeakPolarHBondContact O-CB 3.25Å; E1212-S1215 PolarHBondContact O-N 3.23Å; E1212-L1216 WeakPolarHBondContact O-CG 3.37Å; E1212-L1216 PolarHBondContact O-N 3.2Å
1213R97.7Very high93.8Very high34 Ų3450 Ų5013%0.12826%0.255CS..Hα-helixtrans-56.7-40.3174.5169.2170.751.6-93.5-1.6111.2V1205 A1208 S1209 I1217 V1285 E1287V1205-R1213 HydrophobicContact CG1-CG 4.49Å; V1205-R1213 WeakPolarHBondContact O-CD 3.44Å; A1208-R1213 HydrophobicContact CB-CB 4.36Å; A1208-R1213 PolarHBondContact O-NH1 3.27Å; S1209-R1213 VanDerWaalsContact O-CB 3.29Å; S1209-R1213 WeakPolarHBondContact O-CB 3.31Å; S1209-R1213 PolarHBondContact O-N 2.92Å; R1213-I1217 HydrophobicContact CG-CD1 3.81Å; R1213-I1217 VanDerWaalsContact O-CD1 3.3Å; R1213-I1217 WeakPolarHBondContact O-CD1 3.16Å; R1213-I1217 VanDerWaalsContact O-CG1 3.24Å; R1213-I1217 WeakPolarHBondContact O-CG1 3.43Å; R1213-I1217 PolarHBondContact O-N 2.9Å; R1213-V1285 WeakPolarHBondContact CD-O 3.25Å; R1213-V1285 PolarHBondContact NE-O 3.2Å; R1213-E1287 IonicContact CZ-OE1 3.88Å; R1213-E1287 IonicContact NE-OE1 3.56Å; R1213-E1287 IonicContact NH2-OE1 2.92Å; R1213-E1287 PolarHBondContact NH2-OE1 3.36Å
1214Q96Very high91.6Very high79 Ų7950.9 Ų50.937%0.36927%0.265SS..Hα-helixtrans-63.3-46.8173.7-178.8166.31.500111.6R1210 V1211 E1212 L1216 I1217 N1218 I1290R1210-Q1214 WeakPolarHBondContact O-CB 3.19Å; R1210-Q1214 PolarHBondContact O-N 3.49Å; R1210-Q1214 VanDerWaalsContact O-N 3.1Å; V1211-Q1214 WeakPolarHBondContact O-CB 3.32Å; V1211-Q1214 PolarHBondContact O-N 3.44Å; E1212-Q1214 PolarHBondContact O-N 2.89Å; Q1214-L1216 PolarHBondContact O-N 2.89Å; Q1214-I1217 PolarHBondContact O-N 3.22Å; Q1214-N1218 WeakPolarHBondContact O-CB 3.28Å; Q1214-N1218 PolarHBondContact O-N 2.71Å; Q1214-N1218 PolarHBondContact O-OD1 3.5Å; Q1214-I1290 HydrophobicContact CB-CD1 3.65Å; Q1214-I1290 HydrophobicContact CG-CD1 3.53Å; Q1214-I1290 HydrophobicContact CG-CG1 4.02Å
1215S96Very high88.8Confident44 Ų4455 Ų5531%0.30829%0.289SS..Hα-helixtrans-57.9-45.3177-167.80000112.6V1211 E1212 I1217 N1218 E1219V1211-S1215 PolarHBondContact O-N 3.01Å; E1212-S1215 WeakPolarHBondContact O-CB 3.25Å; E1212-S1215 PolarHBondContact O-N 3.23Å; S1215-I1217 VanDerWaalsContact C-N 3.27Å; S1215-I1217 PolarHBondContact O-N 3.41Å; S1215-N1218 PolarHBondContact O-N 2.85Å; S1215-E1219 PolarHBondContact O-N 2.91Å; S1215-E1219 VanDerWaalsContact O-N 3.14Å
1216L97.4Very high86.2Confident1 Ų160.4 Ų60.41%0.00532%0.318CS..Hα-helixtrans-67.3-24.4179.8-66.1176.4000113.5V1181 I1184 K1185 V1188 A1204 V1205 E1212 Q1214 M1282V1181-L1216 HydrophobicContact CG1-CD1 4.16Å; V1181-L1216 HydrophobicContact CG1-CD2 4.48Å; V1181-L1216 HydrophobicContact CG1-CG 4.44Å; I1184-L1216 HydrophobicContact CG2-CD2 4.07Å; K1185-L1216 HydrophobicContact CB-CD2 4.2Å; V1188-L1216 HydrophobicContact CG2-CB 4.38Å; V1188-L1216 HydrophobicContact CG2-CD2 3.66Å; A1204-L1216 HydrophobicContact CB-CD1 4.42Å; V1205-L1216 HydrophobicContact CG2-CB 4.15Å; V1205-L1216 HydrophobicContact CG2-CD1 3.97Å; E1212-L1216 WeakPolarHBondContact O-CG 3.37Å; E1212-L1216 PolarHBondContact O-N 3.2Å; Q1214-L1216 PolarHBondContact O-N 2.89Å; L1216-M1282 WeakPolarHBondContact O-CE 3.47Å
1217I96.3Very high83.1Confident0 Ų061.7 Ų61.70%032%0.322CS..Hα-helixtrans-87-40.3175.3-63.9161.7000110.6R1213 Q1214 S1215 E1219 I1220 L1221 M1282 A1286 I1290R1213-I1217 HydrophobicContact CG-CD1 3.81Å; R1213-I1217 VanDerWaalsContact O-CD1 3.3Å; R1213-I1217 WeakPolarHBondContact O-CD1 3.16Å; R1213-I1217 VanDerWaalsContact O-CG1 3.24Å; R1213-I1217 WeakPolarHBondContact O-CG1 3.43Å; R1213-I1217 PolarHBondContact O-N 2.9Å; Q1214-I1217 PolarHBondContact O-N 3.22Å; S1215-I1217 VanDerWaalsContact C-N 3.27Å; S1215-I1217 PolarHBondContact O-N 3.41Å; I1217-E1219 VanDerWaalsContact C-N 3.28Å; I1217-E1219 PolarHBondContact O-N 3.33Å; I1217-I1220 WeakPolarHBondContact O-CG1 3.45Å; I1217-I1220 PolarHBondContact O-N 2.99Å; I1217-L1221 HydrophobicContact CG2-CD1 3.83Å; I1217-L1221 HydrophobicContact CG2-CG 4.32Å; I1217-L1221 WeakPolarHBondContact O-CG 3.29Å; I1217-L1221 PolarHBondContact O-N 3.4Å; I1217-M1282 HydrophobicContact CG1-CB 4.31Å; I1217-M1282 HydrophobicContact CG1-CE 4.31Å; I1217-M1282 HydrophobicContact CG1-CG 3.96Å; I1217-M1282 HydrophobicContact CG1-SD 4.42Å; I1217-A1286 HydrophobicContact CD1-CB 3.76Å; I1217-I1290 HydrophobicContact CB-CG2 4.07Å; I1217-I1290 HydrophobicContact CD1-CG2 4.23Å; I1217-I1290 HydrophobicContact CG2-CG2 3.56Å
1218N94.1Very high80.2Confident53 Ų5365.6 Ų65.628%0.28334%0.339SS..Hα-helixtrans-57.6-41.2176.5-78.116.5000111.8Q1214 S1215 I1220 L1221 E1222Q1214-N1218 WeakPolarHBondContact O-CB 3.28Å; Q1214-N1218 PolarHBondContact O-N 2.71Å; Q1214-N1218 PolarHBondContact O-OD1 3.5Å; S1215-N1218 PolarHBondContact O-N 2.85Å; N1218-I1220 PolarHBondContact O-N 3.37Å; N1218-L1221 PolarHBondContact O-N 2.79Å; N1218-E1222 WeakPolarHBondContact O-CG 3.41Å; N1218-E1222 PolarHBondContact O-N 3.45Å
1219E94.1Very high77.3Confident40 Ų4071.8 Ų71.819%0.18737%0.37CS..Hα-helixtrans-52.6-27.4177.9-172.6-176.3140.200114.5K1185 G1186 R1187 V1188 S1215 I1217K1185-E1219 WeakPolarHBondContact CA-OE2 3.43Å; G1186-E1219 WeakPolarHBondContact CA-OE1 3.35Å; G1186-E1219 PolarHBondContact N-OE1 3.4Å; G1186-E1219 PolarHBondContact N-OE2 3.38Å; R1187-E1219 PolarHBondContact N-OE1 3.23Å; V1188-E1219 VanDerWaalsContact CB-OE1 3.25Å; V1188-E1219 WeakPolarHBondContact CB-OE1 3.3Å; V1188-E1219 WeakPolarHBondContact CG2-OE1 3.5Å; V1188-E1219 WeakPolarHBondContact CG2-OE2 3.44Å; V1188-E1219 PolarHBondContact N-OE1 3.36Å; S1215-E1219 PolarHBondContact O-N 2.91Å; S1215-E1219 VanDerWaalsContact O-N 3.14Å; I1217-E1219 VanDerWaalsContact C-N 3.28Å; I1217-E1219 PolarHBondContact O-N 3.33Å
1220I92.9Very high74.4Confident1 Ų176.7 Ų76.71%0.00539%0.388CS..Hα-helixtrans-102.4-8177.969.5150000113.9V1188 I1217 N1218 V1265 L1266 M1269 I1279 M1282V1188-I1220 HydrophobicContact CB-CG2 4.25Å; V1188-I1220 HydrophobicContact CG1-CG2 3.67Å; I1217-I1220 WeakPolarHBondContact O-CG1 3.45Å; I1217-I1220 PolarHBondContact O-N 2.99Å; N1218-I1220 PolarHBondContact O-N 3.37Å; I1220-V1265 HydrophobicContact CB-CG1 4.47Å; I1220-V1265 HydrophobicContact CG2-CG1 4.39Å; I1220-L1266 HydrophobicContact CD1-CD1 4.05Å; I1220-M1269 HydrophobicContact CB-SD 4.21Å; I1220-M1269 HydrophobicContact CD1-CE 4.34Å; I1220-M1269 HydrophobicContact CG2-CE 4.09Å; I1220-M1269 HydrophobicContact CG2-SD 3.64Å; I1220-I1279 HydrophobicContact CD1-CD1 3.29Å; I1220-M1282 HydrophobicContact CD1-CE 3.97Å; I1220-M1282 HydrophobicContact CD1-SD 3.33Å; I1220-M1282 WeakPolarHBondContact CD1-SD 3.3Å; I1220-M1282 HydrophobicContact CG1-CE 4.21Å; I1220-M1282 HydrophobicContact CG1-SD 4.13Å
1221L90.7Very high71.8Confident30 Ų3075.5 Ų75.516%0.15739%0.392CS..Hα-helixtrans-92.6-31.1173.6-66.4173.5000111.3I1217 N1218 E1223 E1293 L1294 Q1297I1217-L1221 HydrophobicContact CG2-CD1 3.83Å; I1217-L1221 HydrophobicContact CG2-CG 4.32Å; I1217-L1221 WeakPolarHBondContact O-CG 3.29Å; I1217-L1221 PolarHBondContact O-N 3.4Å; N1218-L1221 PolarHBondContact O-N 2.79Å; L1221-E1223 PolarHBondContact O-N 2.9Å; L1221-E1293 HydrophobicContact CD1-CG 4.22Å; L1221-L1294 HydrophobicContact CD2-CB 4.23Å; L1221-L1294 HydrophobicContact CD2-CD1 3.83Å; L1221-Q1297 HydrophobicContact CD2-CB 4.15Å; L1221-Q1297 HydrophobicContact CD2-CG 3.92Å
1222E82.6Confident69.1Low123 Ų12375.8 Ų75.858%0.57539%0.394SS*.SBendtrans-64.1117173-74.2169.6-148.800109.8N1218 T1224N1218-E1222 WeakPolarHBondContact O-CG 3.41Å; N1218-E1222 PolarHBondContact O-N 3.45Å; E1222-T1224 PolarHBondContact O-N 2.96Å; E1222-T1224 PolarHBondContact O-OG1 2.83Å
1223E57.7Low66.2Low140 Ų14082 Ų8265%0.65442%0.423SS*.  trans-66100.9177.6-175.6171.4-135.300109.1L1221 V1225L1221-E1223 PolarHBondContact O-N 2.9Å; E1223-V1225 VanDerWaalsContact C-N 3.34Å; E1223-V1225 PolarHBondContact O-N 3.49Å
1224T51.7Low63.2Low74 Ų7487.7 Ų87.745%0.45446%0.455SS..  trans-66.591.9-174.7-40.20000110.4E1222 L1226 V1265E1222-T1224 PolarHBondContact O-N 2.96Å; E1222-T1224 PolarHBondContact O-OG1 2.83Å; T1224-L1226 HydrophobicContact CG2-CD2 3.95Å; T1224-L1226 HydrophobicContact CG2-CG 4.13Å; T1224-L1226 PolarHBondContact O-N 3.28Å; T1224-V1265 WeakPolarHBondContact OG1-CG2 3.1Å
1225V40.6Very low60.1Low86 Ų8687.2 Ų87.252%0.52147%0.472SS..  trans-69.884.6167.3-166.30000107.7E1223 T1227E1223-V1225 VanDerWaalsContact C-N 3.34Å; E1223-V1225 PolarHBondContact O-N 3.49Å; V1225-T1227 HydrophobicContact CG1-CG2 3.65Å; V1225-T1227 PolarHBondContact O-N 3.38Å
1226L42.3Very low57Low114 Ų11493.6 Ų93.660%0.59750%0.497SS*.  trans-6380.7160.6-66179.6000107.6T1224 E1228T1224-L1226 HydrophobicContact CG2-CD2 3.95Å; T1224-L1226 HydrophobicContact CG2-CG 4.13Å; T1224-L1226 PolarHBondContact O-N 3.28Å; L1226-E1228 PolarHBondContact O-N 3.34Å
1227T33.8Very low53.9Low63 Ų63100.7 Ų100.739%0.38754%0.535SS..  trans-64.5113.1169.848.10000107.4V1225 N1229 Q1230V1225-T1227 HydrophobicContact CG1-CG2 3.65Å; V1225-T1227 PolarHBondContact O-N 3.38Å; T1227-N1229 PolarHBondContact O-N 3.29Å; T1227-Q1230 PolarHBondContact O-N 3.3Å; T1227-Q1230 VanDerWaalsContact O-N 3.07Å
1228E36.7Very low51Low135 Ų135110.1 Ų110.163%0.63158%0.579SS**G310 helixtrans-57.4-19-178.8-69.1161.7106.800112L1226 Q1230 I1231L1226-E1228 PolarHBondContact O-N 3.34Å; E1228-Q1230 VanDerWaalsContact C-N 3.31Å; E1228-Q1230 PolarHBondContact O-N 3.49Å; E1228-I1231 PolarHBondContact O-N 2.98Å; E1228-I1231 VanDerWaalsContact O-N 3.14Å
1229N36Very low48.1Very low136 Ų136113.1 Ų113.173%0.72760%0.604SS**G310 helixtrans-62.9-20.7175-61.6-13000115.4T1227T1227-N1229 PolarHBondContact O-N 3.29Å
1230Q37.2Very low45.2Very low155 Ų155122.9 Ų122.972%0.72464%0.639SS**G310 helixtrans-87.3-14.2173.1-70.5-161.228.300113.8T1227 E1228 V1232T1227-Q1230 PolarHBondContact O-N 3.3Å; T1227-Q1230 VanDerWaalsContact O-N 3.07Å; E1228-Q1230 VanDerWaalsContact C-N 3.31Å; E1228-Q1230 PolarHBondContact O-N 3.49Å; Q1230-V1232 VanDerWaalsContact C-N 3.25Å; Q1230-V1232 PolarHBondContact O-N 2.92Å
1231I40.1Very low42.6Very low130 Ų130130.9 Ų130.967%0.66768%0.676SS**THydrogen-bonded Turntrans-78.3-13.4-179.9-62.1175.9000111.5E1228E1228-I1231 PolarHBondContact O-N 2.98Å; E1228-I1231 VanDerWaalsContact O-N 3.14Å
1232V40.4Very low40.2Very low119 Ų119135.9 Ų135.972%0.72170%0.697SS**THydrogen-bonded Turntrans-96.8-12.4-170.9-173.70000113.8Q1230Q1230-V1232 VanDerWaalsContact C-N 3.25Å; Q1230-V1232 PolarHBondContact O-N 2.92Å
1233Q36.5Very low37.8Very low166 Ų166141.6 Ų141.678%0.77671%0.713SS**THydrogen-bonded Turntrans-109.7-29.1-175.8-67.5-170.4-9.600115.5G1235Q1233-G1235 PolarHBondContact O-N 3.2Å
1234N34.9Very low37Very low152 Ų152140.1 Ų140.181%0.81371%0.714SS**  trans-95.859.9173.4-78.3-10.9000111.6Q1236N1234-Q1236 VanDerWaalsContact C-N 3.33Å; N1234-Q1236 PolarHBondContact O-N 3.2Å; N1234-Q1236 VanDerWaalsContact O-N 3.14Å
1235G29.7Very low36Very low69 Ų69142.5 Ų142.571%0.71172%0.724SS**  trans-8337.3-170.300000116.9Q1233Q1233-G1235 PolarHBondContact O-N 3.2Å
1236Q32.2Very low35.9Very low178 Ų178144.9 Ų144.983%0.83273%0.733SS**SBendtrans-135.3101.8176.2-69.3-168.6-8.200113.2N1234N1234-Q1236 VanDerWaalsContact C-N 3.33Å; N1234-Q1236 PolarHBondContact O-N 3.2Å; N1234-Q1236 VanDerWaalsContact O-N 3.14Å
1237N31.2Very low35.4Very low151 Ų151144 Ų14481%0.80774%0.737SS**SBendtrans72157.6163.8-58.4-28.3000119.6S1239N1237-S1239 PolarHBondContact O-N 2.91Å
1238E35.4Very low35.7Very low198 Ų198148.2 Ų148.293%0.92576%0.756SS**SBendtrans75.5-23.5173.7-53.2-151.4141.900121.5R1240E1238-R1240 VanDerWaalsContact C-N 3.32Å; E1238-R1240 PolarHBondContact O-N 3.35Å
1239S33.9Very low35.7Very low115 Ų115147.2 Ų147.280%0.80476%0.764SS**  trans-81.630.8-168.855.20000117.8N1237N1237-S1239 PolarHBondContact O-N 2.91Å
1240R33.5Very low35.6Very low246 Ų246148.1 Ų148.193%0.92876%0.764SS**  trans-1022.7-165.6-132.4178.4-166.4176.55.3118.3E1238E1238-R1240 VanDerWaalsContact C-N 3.32Å; E1238-R1240 PolarHBondContact O-N 3.35Å
1241E37Very low35.5Very low169 Ų169147.8 Ų147.879%0.7977%0.767SS**SBendtrans-101.6-1.8-172.8-154.8-179.2-14500114.8
1242F41.1Very low35.5Very low135 Ų135149.5 Ų149.559%0.59278%0.778SS**  trans-108.579.7-178.4-162.7-100.7000112.1
1243R32.5Very low35.3Very low243 Ų243151.8 Ų151.892%0.91779%0.785SS**  trans-131.8117.6163.8-83.2-171.9169.2-178.2-5.2110.3
1244V40.2Very low35.6Very low109 Ų109151.6 Ų151.666%0.66179%0.79SS**  trans-74.4120.2164.3-179.50000107.1D1246V1244-D1246 PolarHBondContact O-N 3.31Å; V1244-D1246 VanDerWaalsContact O-N 3.14Å
1245D31.3Very low35.7Very low124 Ų124151.8 Ų151.866%0.66379%0.791SS**  trans-81.684.6174.1-167.9-21.4000108.8S1247D1245-S1247 PolarHBondContact O-N 3.48Å; D1245-S1247 WeakPolarHBondContact OD1-CB 3.33Å; D1245-S1247 PolarHBondContact OD1-OG 2.64Å
1246D37.3Very low36.1Very low136 Ų136156.4 Ų156.473%0.72780%0.799SS**  trans-83.255.7-179.3-157.812.5000111.2V1244 L1248V1244-D1246 PolarHBondContact O-N 3.31Å; V1244-D1246 VanDerWaalsContact O-N 3.14Å; D1246-L1248 VanDerWaalsContact C-N 3.28Å; D1246-L1248 PolarHBondContact O-N 2.85Å
1247S32.1Very low36.3Very low95 Ų95156.3 Ų156.366%0.66481%0.805SS**  trans-83.962.5-177.436.90000112.9D1245D1245-S1247 PolarHBondContact O-N 3.48Å; D1245-S1247 WeakPolarHBondContact OD1-CB 3.33Å; D1245-S1247 PolarHBondContact OD1-OG 2.64Å
1248L40.4Very low36.7Very low151 Ų151156.4 Ų156.479%0.79180%0.8SS**  trans-93135.5161.8-69.2176.6000110.6D1246 E1250D1246-L1248 VanDerWaalsContact C-N 3.28Å; D1246-L1248 PolarHBondContact O-N 2.85Å; L1248-E1250 PolarHBondContact O-N 3.15Å
1249S37.4Very low36.8Very low114 Ų114151.7 Ų151.780%0.79779%0.787SS**  trans-74.5120-171.653.50000112.8N1251S1249-N1251 PolarHBondContact O-N 3.02Å
1250E33.5Very low37Very low155 Ų155156.9 Ų156.972%0.72479%0.789SS**  trans-63.1115.2162.6-62.5-176.8139.400109.6L1248 R1260L1248-E1250 PolarHBondContact O-N 3.15Å; E1250-R1260 IonicContact OE1-NH2 3.92Å
1251N34.8Very low37.5Very low148 Ų148150.2 Ų150.279%0.79178%0.775SS**  trans-178.8102.3157.7-97.5-79.8000106.8S1249S1249-N1251 PolarHBondContact O-N 3.02Å
1252D40.8Very low38.2Very low167 Ų167150 Ų15089%0.89377%0.767SS**  trans172.2105.4142.7-87.4-17.4000106.5
1253D36.8Very low39.1Very low166 Ų166147.1 Ų147.189%0.88876%0.764SS**  trans-78.6116.6170.8-58.3-76.5000109
1254D42.1Very low41.4Very low163 Ų163137 Ų13787%0.87273%0.731SS**  trans-159.8146.4158.9-97.7-33.7000108.6
1255D35.8Very low43.9Very low156 Ų156133.2 Ų133.283%0.83471%0.708SS**  trans-68.1132.3-161.8-52.8-80.5000116.3
1256D39.2Very low46.8Very low165 Ų165127.4 Ų127.488%0.88268%0.677SS**  trans-174.1139.6139.8-105.4-28000111.9E1258D1256-E1258 PolarHBondContact O-N 3.47Å
1257D35.2Very low49.3Very low177 Ų177121.3 Ų121.395%0.94764%0.644SS**  trans-77.897.3179.3-83.5-64000112.6
1258E40.1Very low52.2Low153 Ų153119.1 Ų119.172%0.71562%0.624SS**  trans-130120.9167.8-120-80.7133.500110.8D1256 R1260D1256-E1258 PolarHBondContact O-N 3.47Å; E1258-R1260 PolarHBondContact O-N 3.06Å
1259P38.6Very low54.8Low98 Ų98112 Ų11264%0.63659%0.587SS**  trans-70.7129.8-176.928.8-33.8000110.4T1261P1259-T1261 VanDerWaalsContact C-N 3.34Å; P1259-T1261 WeakPolarHBondContact O-CG2 3.27Å; P1259-T1261 PolarHBondContact O-N 2.9Å
1260R37.5Very low57.6Low225 Ų225106.5 Ų106.585%0.84955%0.549SS*.  trans-5489179.3-69-175.6177.8-165.6-2.6111.7E1250 E1258 R1262E1250-R1260 IonicContact OE1-NH2 3.92Å; E1258-R1260 PolarHBondContact O-N 3.06Å; R1260-R1262 PolarHBondContact O-N 3.32Å
1261T44.2Very low60.4Low106 Ų106101.7 Ų101.765%0.6553%0.525SS*.  trans-63.4121.2-175.154.50000110P1259 S1263P1259-T1261 VanDerWaalsContact C-N 3.34Å; P1259-T1261 WeakPolarHBondContact O-CG2 3.27Å; P1259-T1261 PolarHBondContact O-N 2.9Å; T1261-S1263 PolarHBondContact O-N 2.95Å; T1261-S1263 VanDerWaalsContact O-N 3.13Å
1262R50.9Low63.2Low163 Ų16396.1 Ų96.162%0.61550%0.495SS*.  trans-53.7121.2168.2-78.5178.8166.2167.5-6.1107.8R1260 S1264R1260-R1262 PolarHBondContact O-N 3.32Å; R1262-S1264 PolarHBondContact O-N 3.08Å
1263S60.9Low65.9Low75 Ų7592.6 Ų92.652%0.52447%0.473SS..  trans-69.195.1-177.8177.80000109.5T1261T1261-S1263 PolarHBondContact O-N 2.95Å; T1261-S1263 VanDerWaalsContact O-N 3.13Å
1264S81.5Confident68.7Low31 Ų3186.8 Ų86.822%0.21744%0.441CS..  trans-43.2145176.1164.90000112.1R1262 L1266 V1267 M1268R1262-S1264 PolarHBondContact O-N 3.08Å; S1264-L1266 PolarHBondContact O-N 3.3Å; S1264-L1266 PolarHBondContact OG-N 3.37Å; S1264-V1267 WeakPolarHBondContact O-CA 3.37Å; S1264-V1267 WeakPolarHBondContact O-CB 3.49Å; S1264-V1267 PolarHBondContact O-N 3.47Å; S1264-M1268 PolarHBondContact O-N 3.34Å
1265V91.1Very high71.4Confident30 Ų3079 Ų7918%0.18240%0.399CS..Hα-helixtrans-51.6-41.4177.9172.90000111.1A1189 I1220 T1224 V1267 M1268 M1269A1189-V1265 HydrophobicContact CB-CG1 3.51Å; I1220-V1265 HydrophobicContact CB-CG1 4.47Å; I1220-V1265 HydrophobicContact CG2-CG1 4.39Å; T1224-V1265 WeakPolarHBondContact OG1-CG2 3.1Å; V1265-V1267 PolarHBondContact O-N 3.34Å; V1265-M1268 WeakPolarHBondContact O-CB 3.43Å; V1265-M1268 PolarHBondContact O-N 3.49Å; V1265-M1269 HydrophobicContact CG1-CG 4.47Å; V1265-M1269 HydrophobicContact CG1-SD 3.89Å; V1265-M1269 WeakPolarHBondContact O-CB 3.13Å; V1265-M1269 WeakPolarHBondContact O-CG 3.41Å; V1265-M1269 PolarHBondContact O-N 3.18Å
1266L92.6Very high74.3Confident2 Ų271.6 Ų71.61%0.0136%0.359CS..Hα-helixtrans-56.7-47.1172.5-179.661.9000111.9I1220 S1264 M1268 M1269 M1270 I1279 L1294 Q1297 I1298I1220-L1266 HydrophobicContact CD1-CD1 4.05Å; S1264-L1266 PolarHBondContact O-N 3.3Å; S1264-L1266 PolarHBondContact OG-N 3.37Å; L1266-M1268 PolarHBondContact O-N 3.01Å; L1266-M1269 PolarHBondContact O-N 3.2Å; L1266-M1270 HydrophobicContact CD1-CG 4.26Å; L1266-M1270 HydrophobicContact CD1-SD 4.36Å; L1266-M1270 HydrophobicContact CG-CE 3.98Å; L1266-M1270 HydrophobicContact CG-SD 4.37Å; L1266-M1270 WeakPolarHBondContact O-CB 3.2Å; L1266-M1270 WeakPolarHBondContact O-CG 3.15Å; L1266-M1270 PolarHBondContact O-N 3.13Å; L1266-I1279 HydrophobicContact CD1-CD1 3.69Å; L1266-I1279 HydrophobicContact CD1-CG1 4.44Å; L1266-I1279 HydrophobicContact CD1-CG2 4.47Å; L1266-L1294 HydrophobicContact CD1-CD1 3.82Å; L1266-L1294 HydrophobicContact CD2-CD1 4.49Å; L1266-Q1297 HydrophobicContact CD2-CB 3.52Å; L1266-I1298 HydrophobicContact CD1-CG1 4.22Å; L1266-I1298 HydrophobicContact CD2-CG1 4.05Å; L1266-I1298 HydrophobicContact CG-CG1 4.45Å
1267V90.8Very high77.1Confident7 Ų769 Ų694%0.04234%0.338CS..Hα-helixtrans-64.8-38.9179.2178.30000112S1264 V1265 M1270 K1271 H1301S1264-V1267 WeakPolarHBondContact O-CA 3.37Å; S1264-V1267 WeakPolarHBondContact O-CB 3.49Å; S1264-V1267 PolarHBondContact O-N 3.47Å; V1265-V1267 PolarHBondContact O-N 3.34Å; V1267-M1270 HydrophobicContact CG2-CE 4.28Å; V1267-K1271 HydrophobicContact CG1-CD 4.14Å; V1267-K1271 WeakPolarHBondContact O-CD 3.41Å; V1267-K1271 VanDerWaalsContact O-CG 3.23Å; V1267-K1271 WeakPolarHBondContact O-CG 3.28Å; V1267-K1271 PolarHBondContact O-N 3.32Å; V1267-H1301 HydrophobicContact CG2-CB 4.46Å; V1267-H1301 WeakPolarHBondContact CG2-CD2 3.49Å; V1267-H1301 VanDerWaalsContact CG2-NE2 3.33Å; V1267-H1301 WeakPolarHBondContact CG2-NE2 3.45Å
1268M92.1Very high80.1Confident50 Ų5060.6 Ų60.625%0.24629%0.293CS..Hα-helixtrans-61.3-51.9172.5-179.9-172.770.700110.6A1189 V1193 S1264 V1265 L1266 M1270 K1271 D1272A1189-M1268 HydrophobicContact CB-CE 4.3Å; V1193-M1268 HydrophobicContact CG1-CE 4.41Å; S1264-M1268 PolarHBondContact O-N 3.34Å; V1265-M1268 WeakPolarHBondContact O-CB 3.43Å; V1265-M1268 PolarHBondContact O-N 3.49Å; L1266-M1268 PolarHBondContact O-N 3.01Å; M1268-M1270 VanDerWaalsContact C-N 3.33Å; M1268-M1270 PolarHBondContact O-N 2.78Å; M1268-K1271 PolarHBondContact O-N 3.33Å; M1268-K1271 VanDerWaalsContact O-N 3.09Å; M1268-D1272 PolarHBondContact O-N 3.21Å; M1268-D1272 VanDerWaalsContact O-N 3.15Å
1269M95.2Very high82.8Confident0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-62.5-36.8-178.3-72.1176.162.900112.9V1188 A1189 S1192 I1220 V1265 L1266 K1271 A1275 N1276 V1278 I1279V1188-M1269 HydrophobicContact CG1-CE 4.41Å; A1189-M1269 HydrophobicContact CB-SD 4.11Å; S1192-M1269 WeakPolarHBondContact OG-CE 3.3Å; I1220-M1269 HydrophobicContact CB-SD 4.21Å; I1220-M1269 HydrophobicContact CD1-CE 4.34Å; I1220-M1269 HydrophobicContact CG2-CE 4.09Å; I1220-M1269 HydrophobicContact CG2-SD 3.64Å; V1265-M1269 HydrophobicContact CG1-CG 4.47Å; V1265-M1269 HydrophobicContact CG1-SD 3.89Å; V1265-M1269 WeakPolarHBondContact O-CB 3.13Å; V1265-M1269 WeakPolarHBondContact O-CG 3.41Å; V1265-M1269 PolarHBondContact O-N 3.18Å; L1266-M1269 PolarHBondContact O-N 3.2Å; M1269-K1271 VanDerWaalsContact C-N 3.27Å; M1269-K1271 PolarHBondContact O-N 2.87Å; M1269-A1275 HydrophobicContact CB-CB 3.73Å; M1269-A1275 HydrophobicContact CE-CB 4.36Å; M1269-A1275 HydrophobicContact CG-CB 3.87Å; M1269-A1275 CarbonylContact O-C 3.57Å; M1269-A1275 VanDerWaalsContact O-C 3.25Å; M1269-A1275 WeakPolarHBondContact O-CB 3.38Å; M1269-N1276 PolarHBondContact O-N 3.38Å; M1269-V1278 HydrophobicContact CE-CB 4.45Å; M1269-V1278 HydrophobicContact CE-CG1 4.21Å; M1269-I1279 HydrophobicContact CB-CD1 3.99Å; M1269-I1279 HydrophobicContact CB-CG1 3.95Å; M1269-I1279 HydrophobicContact CE-CD1 3.74Å; M1269-I1279 HydrophobicContact CE-CG1 4.39Å; M1269-I1279 HydrophobicContact SD-CD1 4.43Å
1270M95.2Very high85.6Confident0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-70.3-20.1176.1-69.6-167.7-64.400114.5L1266 V1267 M1268 I1279 I1298 H1301 L1305 I1314L1266-M1270 HydrophobicContact CD1-CG 4.26Å; L1266-M1270 HydrophobicContact CD1-SD 4.36Å; L1266-M1270 HydrophobicContact CG-CE 3.98Å; L1266-M1270 HydrophobicContact CG-SD 4.37Å; L1266-M1270 WeakPolarHBondContact O-CB 3.2Å; L1266-M1270 WeakPolarHBondContact O-CG 3.15Å; L1266-M1270 PolarHBondContact O-N 3.13Å; V1267-M1270 HydrophobicContact CG2-CE 4.28Å; M1268-M1270 VanDerWaalsContact C-N 3.33Å; M1268-M1270 PolarHBondContact O-N 2.78Å; M1270-I1279 HydrophobicContact CG-CB 4.44Å; M1270-I1279 HydrophobicContact CG-CG1 4.04Å; M1270-I1279 HydrophobicContact CG-CG2 4.02Å; M1270-I1298 HydrophobicContact CE-CG1 4.43Å; M1270-I1298 HydrophobicContact SD-CB 4.22Å; M1270-I1298 HydrophobicContact SD-CD1 4.11Å; M1270-I1298 HydrophobicContact SD-CG1 3.63Å; M1270-I1298 HydrophobicContact SD-CG2 3.88Å; M1270-H1301 HydrophobicContact CE-CB 3.98Å; M1270-L1305 HydrophobicContact CB-CD2 3.61Å; M1270-L1305 HydrophobicContact CE-CD1 3.95Å; M1270-L1305 HydrophobicContact CE-CD2 4.29Å; M1270-L1305 HydrophobicContact CE-CG 4.49Å; M1270-L1305 HydrophobicContact SD-CD1 3.65Å; M1270-L1305 HydrophobicContact SD-CD2 4.37Å; M1270-I1314 HydrophobicContact CB-CD1 3.69Å; M1270-I1314 HydrophobicContact CG-CD1 3.57Å; M1270-I1314 HydrophobicContact SD-CD1 4.25Å; M1270-I1314 HydrophobicContact SD-CG2 4.28Å
1271K93Very high88.4Confident53 Ų5342.1 Ų42.123%0.2321%0.207CC..Hα-helixtrans-92.1-22.9177.9-71.5170.4178.41790113.1V1267 M1268 M1269 Y1308 Y1310V1267-K1271 HydrophobicContact CG1-CD 4.14Å; V1267-K1271 WeakPolarHBondContact O-CD 3.41Å; V1267-K1271 VanDerWaalsContact O-CG 3.23Å; V1267-K1271 WeakPolarHBondContact O-CG 3.28Å; V1267-K1271 PolarHBondContact O-N 3.32Å; M1268-K1271 PolarHBondContact O-N 3.33Å; M1268-K1271 VanDerWaalsContact O-N 3.09Å; M1269-K1271 VanDerWaalsContact C-N 3.27Å; M1269-K1271 PolarHBondContact O-N 2.87Å; K1271-Y1308 HydrophobicContact CB-CD1 4.03Å; K1271-Y1308 HydrophobicContact CB-CE1 4.05Å; K1271-Y1308 HydrophobicContact CD-CD1 4.49Å; K1271-Y1308 HydrophobicContact CD-CE1 3.86Å; K1271-Y1308 HydrophobicContact CD-CE2 3.99Å; K1271-Y1308 WeakPolarHBondContact CE-OH 3.43Å; K1271-Y1308 HydrophobicContact CG-CD1 3.9Å; K1271-Y1308 HydrophobicContact CG-CD2 4.07Å; K1271-Y1308 HydrophobicContact CG-CE1 3.79Å; K1271-Y1308 HydrophobicContact CG-CE2 3.96Å; K1271-Y1308 HydrophobicContact CG-CG 4.05Å; K1271-Y1308 PolarHBondContact NZ-OH 3.08Å; K1271-Y1310 WeakPolarHBondContact O-CD2 3.44Å
1272D94.8Very high91Very high32 Ų3237.1 Ų37.117%0.17118%0.176CC..SBendtrans-75.7153.8-177.1173.457.1000113.7V1193 M1268 F1274 A1275 N1276V1193-D1272 WeakPolarHBondContact CA-OD2 3.43Å; V1193-D1272 HydrophobicContact CG1-CB 4.17Å; M1268-D1272 PolarHBondContact O-N 3.21Å; M1268-D1272 VanDerWaalsContact O-N 3.15Å; D1272-F1274 VanDerWaalsContact C-N 3.34Å; D1272-F1274 PolarHBondContact O-N 2.95Å; D1272-F1274 WeakPolarHBondContact OD2-CA 3.45Å; D1272-F1274 PolarHBondContact OD2-N 2.96Å; D1272-A1275 HydrophobicContact CB-CB 4.13Å; D1272-A1275 PolarHBondContact OD2-N 3.48Å; D1272-N1276 WeakPolarHBondContact O-CB 3.37Å; D1272-N1276 PolarHBondContact O-ND2 3.2Å
1273Q95.6Very high93.1Very high92 Ų9229.3 Ų29.343%0.4315%0.147SC..THydrogen-bonded Turntrans-70.3-22.3-177.875.1-166.4-66.500114.5N1276 Y1277 Y1310Q1273-N1276 PolarHBondContact O-ND2 3.11Å; Q1273-Y1277 WeakPolarHBondContact O-CE2 3.44Å; Q1273-Y1310 HydrophobicContact CB-CD2 4.39Å; Q1273-Y1310 HydrophobicContact CB-CE1 3.87Å; Q1273-Y1310 HydrophobicContact CB-CE2 3.72Å; Q1273-Y1310 VanDerWaalsContact CB-CZ 3.42Å; Q1273-Y1310 WeakPolarHBondContact CB-OH 3.37Å
1274F97.3Very high94.7Very high45 Ų4528.4 Ų28.420%0.19714%0.136CC..THydrogen-bonded Turntrans-110.8-47.9179.2-54-61000111.8S1192 V1193 K1195 D1272 N1276 Y1277S1192-F1274 CarbonylContact O-C 3.58Å; S1192-F1274 WeakPolarHBondContact O-CB 3.48Å; V1193-F1274 WeakPolarHBondContact O-CD2 3.49Å; K1195-F1274 HydrophobicContact CB-CE1 3.98Å; K1195-F1274 HydrophobicContact CB-CE2 3.98Å; K1195-F1274 HydrophobicContact CB-CZ 3.68Å; K1195-F1274 HydrophobicContact CD-CZ 4.49Å; K1195-F1274 HydrophobicContact CG-CE1 3.92Å; K1195-F1274 HydrophobicContact CG-CZ 3.94Å; D1272-F1274 VanDerWaalsContact C-N 3.34Å; D1272-F1274 PolarHBondContact O-N 2.95Å; D1272-F1274 WeakPolarHBondContact OD2-CA 3.45Å; D1272-F1274 PolarHBondContact OD2-N 2.96Å; F1274-N1276 PolarHBondContact O-N 3.39Å; F1274-N1276 VanDerWaalsContact O-N 3.15Å; F1274-Y1277 WeakPolarHBondContact O-CB 3.17Å; F1274-Y1277 WeakPolarHBondContact O-CD2 3.46Å; F1274-Y1277 PolarHBondContact O-N 3.48Å
1275A97.5Very high95.4Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-66.3-21.2-174.100000113.5S1192 V1193 M1269 D1272 Y1277 V1278 I1279S1192-A1275 VanDerWaalsContact O-CA 3.31Å; S1192-A1275 WeakPolarHBondContact O-CA 3.4Å; S1192-A1275 WeakPolarHBondContact O-CB 3.5Å; S1192-A1275 PolarHBondContact O-N 2.85Å; S1192-A1275 VanDerWaalsContact O-N 3.12Å; V1193-A1275 HydrophobicContact CG1-CB 3.98Å; M1269-A1275 HydrophobicContact CB-CB 3.73Å; M1269-A1275 HydrophobicContact CE-CB 4.36Å; M1269-A1275 HydrophobicContact CG-CB 3.87Å; M1269-A1275 CarbonylContact O-C 3.57Å; M1269-A1275 VanDerWaalsContact O-C 3.25Å; M1269-A1275 WeakPolarHBondContact O-CB 3.38Å; D1272-A1275 HydrophobicContact CB-CB 4.13Å; D1272-A1275 PolarHBondContact OD2-N 3.48Å; A1275-Y1277 PolarHBondContact O-N 3.32Å; A1275-V1278 WeakPolarHBondContact O-CB 3.43Å; A1275-V1278 PolarHBondContact O-N 2.83Å; A1275-V1278 VanDerWaalsContact O-N 3.07Å; A1275-I1279 PolarHBondContact O-N 3.27Å
1276N96.8Very high95.6Very high0 Ų027.5 Ų27.50%013%0.129CC..Hα-helixtrans-60.5-27.5172.378.490.4000112.6M1269 D1272 Q1273 F1274 Q1280 I1314M1269-N1276 PolarHBondContact O-N 3.38Å; D1272-N1276 WeakPolarHBondContact O-CB 3.37Å; D1272-N1276 PolarHBondContact O-ND2 3.2Å; Q1273-N1276 PolarHBondContact O-ND2 3.11Å; F1274-N1276 PolarHBondContact O-N 3.39Å; F1274-N1276 VanDerWaalsContact O-N 3.15Å; N1276-Q1280 WeakPolarHBondContact O-CB 3.48Å; N1276-Q1280 VanDerWaalsContact O-CG 3.25Å; N1276-Q1280 WeakPolarHBondContact O-CG 3.2Å; N1276-Q1280 PolarHBondContact O-N 3.3Å; N1276-Q1280 VanDerWaalsContact O-N 3.09Å; N1276-Q1280 PolarHBondContact O-NE2 3.23Å; N1276-Q1280 PolarHBondContact OD1-NE2 3.29Å; N1276-I1314 HydrophobicContact CB-CD1 4.11Å
1277Y97.8Very high95.6Very high110 Ų11029.9 Ų29.943%0.43114%0.14SC..Hα-helixtrans-74.5-37.9174.4-62.9-74.3000111.1E1202 Q1273 F1274 A1275 Q1280 K1281E1202-Y1277 VanDerWaalsContact OE1-CB 3.31Å; E1202-Y1277 WeakPolarHBondContact OE1-CB 3.43Å; Q1273-Y1277 WeakPolarHBondContact O-CE2 3.44Å; F1274-Y1277 WeakPolarHBondContact O-CB 3.17Å; F1274-Y1277 WeakPolarHBondContact O-CD2 3.46Å; F1274-Y1277 PolarHBondContact O-N 3.48Å; A1275-Y1277 PolarHBondContact O-N 3.32Å; Y1277-Q1280 CarbonylContact O-C 3.48Å; Y1277-Q1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-Q1280 PolarHBondContact O-N 3.05Å; Y1277-K1281 PolarHBondContact O-N 3.47Å
1278V98Very high95.6Very high0 Ų034.9 Ų34.90%016%0.163CC..Hα-helixtrans-61.2-46.5172-177.40000111.4V1201 E1202 M1269 A1275 Q1280 K1281 M1282V1201-V1278 HydrophobicContact CB-CG1 4.39Å; V1201-V1278 HydrophobicContact CB-CG2 4.22Å; V1201-V1278 HydrophobicContact CG1-CG1 3.62Å; V1201-V1278 HydrophobicContact CG1-CG2 4.33Å; E1202-V1278 HydrophobicContact CG-CG2 4.08Å; M1269-V1278 HydrophobicContact CE-CB 4.45Å; M1269-V1278 HydrophobicContact CE-CG1 4.21Å; A1275-V1278 WeakPolarHBondContact O-CB 3.43Å; A1275-V1278 PolarHBondContact O-N 2.83Å; A1275-V1278 VanDerWaalsContact O-N 3.07Å; V1278-Q1280 VanDerWaalsContact C-N 3.3Å; V1278-Q1280 PolarHBondContact O-N 3Å; V1278-K1281 WeakPolarHBondContact O-CB 3.36Å; V1278-K1281 PolarHBondContact O-N 3.43Å; V1278-K1281 VanDerWaalsContact O-N 3.08Å; V1278-M1282 HydrophobicContact CG1-CE 3.95Å; V1278-M1282 HydrophobicContact CG1-CG 4.47Å; V1278-M1282 HydrophobicContact CG1-SD 4.07Å; V1278-M1282 WeakPolarHBondContact O-CG 3.48Å; V1278-M1282 PolarHBondContact O-N 2.83Å
1279I97.1Very high95.6Very high0 Ų037.2 Ų37.20%018%0.182CC..Hα-helixtrans-60.7-40.3174.6-59.2-56.3000111.4I1220 L1266 M1269 M1270 A1275 M1282 L1283 I1298 I1314I1220-I1279 HydrophobicContact CD1-CD1 3.29Å; L1266-I1279 HydrophobicContact CD1-CD1 3.69Å; L1266-I1279 HydrophobicContact CD1-CG1 4.44Å; L1266-I1279 HydrophobicContact CD1-CG2 4.47Å; M1269-I1279 HydrophobicContact CB-CD1 3.99Å; M1269-I1279 HydrophobicContact CB-CG1 3.95Å; M1269-I1279 HydrophobicContact CE-CD1 3.74Å; M1269-I1279 HydrophobicContact CE-CG1 4.39Å; M1269-I1279 HydrophobicContact SD-CD1 4.43Å; M1270-I1279 HydrophobicContact CG-CB 4.44Å; M1270-I1279 HydrophobicContact CG-CG1 4.04Å; M1270-I1279 HydrophobicContact CG-CG2 4.02Å; A1275-I1279 PolarHBondContact O-N 3.27Å; I1279-M1282 HydrophobicContact CD1-SD 4.15Å; I1279-M1282 PolarHBondContact O-N 2.8Å; I1279-L1283 PolarHBondContact O-N 2.61Å; I1279-I1298 HydrophobicContact CG2-CD1 3.85Å; I1279-I1314 HydrophobicContact CB-CD1 4.17Å; I1279-I1314 HydrophobicContact CG2-CD1 4.05Å
1280Q97.1Very high95.5Very high31 Ų3137.9 Ų37.915%0.14519%0.185CC..Hα-helixtrans-63.3-39.7173.8-75.9173.388.400112.1N1276 Y1277 V1278 L1283 D1284 I1314 K1317N1276-Q1280 WeakPolarHBondContact O-CB 3.48Å; N1276-Q1280 VanDerWaalsContact O-CG 3.25Å; N1276-Q1280 WeakPolarHBondContact O-CG 3.2Å; N1276-Q1280 PolarHBondContact O-N 3.3Å; N1276-Q1280 VanDerWaalsContact O-N 3.09Å; N1276-Q1280 PolarHBondContact O-NE2 3.23Å; N1276-Q1280 PolarHBondContact OD1-NE2 3.29Å; Y1277-Q1280 CarbonylContact O-C 3.48Å; Y1277-Q1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-Q1280 PolarHBondContact O-N 3.05Å; V1278-Q1280 VanDerWaalsContact C-N 3.3Å; V1278-Q1280 PolarHBondContact O-N 3Å; Q1280-L1283 PolarHBondContact O-N 2.77Å; Q1280-D1284 PolarHBondContact O-N 2.86Å; Q1280-I1314 HydrophobicContact CG-CG1 4.05Å; Q1280-K1317 HydrophobicContact CB-CD 4.04Å; Q1280-K1317 HydrophobicContact CG-CD 3.97Å; Q1280-K1317 WeakPolarHBondContact O-CE 3.44Å; Q1280-K1317 PolarHBondContact O-NZ 2.96Å
1281K97.7Very high95.4Very high58 Ų5840.2 Ų40.225%0.25219%0.194SC..Hα-helixtrans-64.2-47.2176.5-175.162.359.4176.10111.3E1202 A1206 Y1277 V1278 L1283 D1284 V1285E1202-K1281 HydrophobicContact CB-CB 4.4Å; E1202-K1281 HydrophobicContact CB-CG 4.14Å; E1202-K1281 HydrophobicContact CG-CB 3.85Å; E1202-K1281 HydrophobicContact CG-CG 4.15Å; E1202-K1281 WeakPolarHBondContact OE2-CE 3.43Å; E1202-K1281 IonicContact OE2-NZ 2.79Å; A1206-K1281 HydrophobicContact CB-CD 4.33Å; Y1277-K1281 PolarHBondContact O-N 3.47Å; V1278-K1281 WeakPolarHBondContact O-CB 3.36Å; V1278-K1281 PolarHBondContact O-N 3.43Å; V1278-K1281 VanDerWaalsContact O-N 3.08Å; K1281-L1283 VanDerWaalsContact C-N 3.31Å; K1281-L1283 PolarHBondContact O-N 3.32Å; K1281-D1284 WeakPolarHBondContact O-CB 3.48Å; K1281-D1284 PolarHBondContact O-N 2.83Å; K1281-V1285 HydrophobicContact CD-CG1 4.43Å; K1281-V1285 PolarHBondContact O-N 2.81Å; K1281-V1285 VanDerWaalsContact O-N 3.09Å
1282M97.3Very high95.4Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-55.4-45175.8-70.8168.7159.900111.2V1188 V1205 L1216 I1217 I1220 V1278 I1279 D1284 V1285 A1286 L1294V1188-M1282 HydrophobicContact CG1-CE 3.86Å; V1205-M1282 HydrophobicContact CG1-CG 3.8Å; V1205-M1282 HydrophobicContact CG2-CE 4.03Å; V1205-M1282 HydrophobicContact CG2-CG 4.47Å; L1216-M1282 WeakPolarHBondContact O-CE 3.47Å; I1217-M1282 HydrophobicContact CG1-CB 4.31Å; I1217-M1282 HydrophobicContact CG1-CE 4.31Å; I1217-M1282 HydrophobicContact CG1-CG 3.96Å; I1217-M1282 HydrophobicContact CG1-SD 4.42Å; I1220-M1282 HydrophobicContact CD1-CE 3.97Å; I1220-M1282 HydrophobicContact CD1-SD 3.33Å; I1220-M1282 WeakPolarHBondContact CD1-SD 3.3Å; I1220-M1282 HydrophobicContact CG1-CE 4.21Å; I1220-M1282 HydrophobicContact CG1-SD 4.13Å; V1278-M1282 HydrophobicContact CG1-CE 3.95Å; V1278-M1282 HydrophobicContact CG1-CG 4.47Å; V1278-M1282 HydrophobicContact CG1-SD 4.07Å; V1278-M1282 WeakPolarHBondContact O-CG 3.48Å; V1278-M1282 PolarHBondContact O-N 2.83Å; I1279-M1282 HydrophobicContact CD1-SD 4.15Å; I1279-M1282 PolarHBondContact O-N 2.8Å; M1282-D1284 VanDerWaalsContact C-N 3.29Å; M1282-D1284 PolarHBondContact O-N 2.86Å; M1282-V1285 PolarHBondContact O-N 3.31Å; M1282-A1286 WeakPolarHBondContact O-CB 3.31Å; M1282-A1286 PolarHBondContact O-N 2.94Å; M1282-L1294 HydrophobicContact CB-CD2 3.82Å
1283L95.7Very high95.3Very high0 Ų046.2 Ų46.20%022%0.22CC..Hα-helixtrans-59.3-35.1174.6-77.2168.9000113.7I1279 Q1280 K1281 R1291 L1294 M1295 I1298 I1314 K1317 M1318 Y1321I1279-L1283 PolarHBondContact O-N 2.61Å; Q1280-L1283 PolarHBondContact O-N 2.77Å; K1281-L1283 VanDerWaalsContact C-N 3.31Å; K1281-L1283 PolarHBondContact O-N 3.32Å; L1283-R1291 PolarHBondContact O-NE 2.88Å; L1283-L1294 HydrophobicContact CD2-CD2 3.86Å; L1283-L1294 HydrophobicContact CD2-CG 3.99Å; L1283-L1294 HydrophobicContact CG-CD2 3.93Å; L1283-L1294 HydrophobicContact CG-CG 4.41Å; L1283-M1295 HydrophobicContact CD2-CG 3.92Å; L1283-I1298 HydrophobicContact CD1-CD1 4Å; L1283-I1298 HydrophobicContact CD2-CD1 4.23Å; L1283-I1298 HydrophobicContact CG-CD1 4.31Å; L1283-I1314 HydrophobicContact CD1-CG2 4.35Å; L1283-K1317 HydrophobicContact CB-CD 4.43Å; L1283-K1317 HydrophobicContact CD1-CD 4.47Å; L1283-M1318 HydrophobicContact CD1-SD 4.28Å; L1283-M1318 HydrophobicContact CD2-SD 4.19Å; L1283-Y1321 HydrophobicContact CB-CE2 4.25Å; L1283-Y1321 PolarHBondContact O-OH 3.5Å
1284D95.3Very high95.2Very high55 Ų5541.9 Ų41.929%0.29420%0.2SC..Hα-helixtrans-66.1-55.8175.2-69.8-34.3000111.4Q1280 K1281 M1282 R1291 K1317 Y1321Q1280-D1284 PolarHBondContact O-N 2.86Å; K1281-D1284 WeakPolarHBondContact O-CB 3.48Å; K1281-D1284 PolarHBondContact O-N 2.83Å; M1282-D1284 VanDerWaalsContact C-N 3.29Å; M1282-D1284 PolarHBondContact O-N 2.86Å; D1284-R1291 PolarHBondContact O-NH2 3.46Å; D1284-K1317 WeakPolarHBondContact OD1-CE 3.23Å; D1284-K1317 IonicContact OD1-NZ 2.97Å; D1284-K1317 PolarHBondContact OD1-NZ 3.09Å; D1284-K1317 IonicContact OD2-NZ 2.7Å; D1284-K1317 PolarHBondContact OD2-NZ 2.88Å; D1284-Y1321 WeakPolarHBondContact CA-OH 3.39Å
1285V95.9Very high95Very high43 Ų4340.5 Ų40.526%0.26119%0.194SC..Hα-helixtrans-96.3-13.6-165-55.10000114.9V1205 R1213 K1281 M1282 E1287V1205-V1285 HydrophobicContact CG1-CG2 3.67Å; V1205-V1285 WeakPolarHBondContact O-CG2 3.26Å; R1213-V1285 WeakPolarHBondContact CD-O 3.25Å; R1213-V1285 PolarHBondContact NE-O 3.2Å; K1281-V1285 HydrophobicContact CD-CG1 4.43Å; K1281-V1285 PolarHBondContact O-N 2.81Å; K1281-V1285 VanDerWaalsContact O-N 3.09Å; M1282-V1285 PolarHBondContact O-N 3.31Å; V1285-E1287 PolarHBondContact O-N 3.01Å
1286A95.2Very high94.7Very high0 Ų044.2 Ų44.20%021%0.213CC..PPolyproline II helixtrans-56.8131.5173.700000110.7I1217 M1282 I1290 R1291I1217-A1286 HydrophobicContact CD1-CB 3.76Å; M1282-A1286 WeakPolarHBondContact O-CB 3.31Å; M1282-A1286 PolarHBondContact O-N 2.94Å; A1286-I1290 HydrophobicContact CB-CG2 4.47Å; A1286-R1291 HydrophobicContact CB-CB 3.81Å; A1286-R1291 HydrophobicContact CB-CG 4.31Å; A1286-R1291 PolarHBondContact O-NE 3.48Å; A1286-R1291 PolarHBondContact O-NH1 3.2Å; A1286-R1291 PolarHBondContact O-NH2 3.31Å
1287E92.5Very high94.5Very high51 Ų5147.8 Ų47.824%0.23823%0.23CC..PPolyproline II helixtrans-82.4170.1175.4-70169.8-131.200111.1R1210 R1213 V1285 I1290 R1291R1210-E1287 IonicContact CZ-OE2 3.96Å; R1210-E1287 VanDerWaalsContact CZ-OE2 3.3Å; R1210-E1287 IonicContact NE-OE1 3.3Å; R1210-E1287 IonicContact NE-OE2 3.62Å; R1210-E1287 PolarHBondContact NE-OE2 2.98Å; R1210-E1287 IonicContact NH2-OE2 3.76Å; R1210-E1287 PolarHBondContact NH2-OE2 2.83Å; R1213-E1287 IonicContact CZ-OE1 3.88Å; R1213-E1287 IonicContact NE-OE1 3.56Å; R1213-E1287 IonicContact NH2-OE1 2.92Å; R1213-E1287 PolarHBondContact NH2-OE1 3.36Å; V1285-E1287 PolarHBondContact O-N 3.01Å; E1287-I1290 CarbonylContact O-C 3.59Å; E1287-I1290 WeakPolarHBondContact O-CA 3.37Å; E1287-I1290 WeakPolarHBondContact O-CB 3.45Å; E1287-I1290 PolarHBondContact O-N 2.91Å; E1287-R1291 PolarHBondContact O-N 3.27Å
1288Q91.3Very high94.3Very high112 Ų11242.5 Ų42.552%0.52321%0.209SC..THydrogen-bonded Turntrans-78.8140.6165.2-59.9-64.414.800109K1292Q1288-K1292 VanDerWaalsContact OE1-N 3.15Å
1289P91.6Very high94Very high99 Ų9950.4 Ų50.464%0.64324%0.239SC*.THydrogen-bonded Turncis-84.7-11.97.533.9-36.5000115.5R1291 K1292 E1293P1289-R1291 VanDerWaalsContact C-N 3.32Å; P1289-R1291 PolarHBondContact O-N 2.88Å; P1289-K1292 WeakPolarHBondContact O-CA 3.34Å; P1289-K1292 VanDerWaalsContact O-CB 3.28Å; P1289-K1292 WeakPolarHBondContact O-CB 3.49Å; P1289-K1292 PolarHBondContact O-N 2.85Å; P1289-E1293 PolarHBondContact O-N 3Å
1290I92.2Very high93.8Very high15 Ų1554.9 Ų54.98%0.07727%0.268CS..Hα-helixtrans-55.2-42.1-170.1-50.6152.1000112.5Q1214 I1217 A1286 E1287 K1292 E1293 L1294Q1214-I1290 HydrophobicContact CB-CD1 3.65Å; Q1214-I1290 HydrophobicContact CG-CD1 3.53Å; Q1214-I1290 HydrophobicContact CG-CG1 4.02Å; I1217-I1290 HydrophobicContact CB-CG2 4.07Å; I1217-I1290 HydrophobicContact CD1-CG2 4.23Å; I1217-I1290 HydrophobicContact CG2-CG2 3.56Å; A1286-I1290 HydrophobicContact CB-CG2 4.47Å; E1287-I1290 CarbonylContact O-C 3.59Å; E1287-I1290 WeakPolarHBondContact O-CA 3.37Å; E1287-I1290 WeakPolarHBondContact O-CB 3.45Å; E1287-I1290 PolarHBondContact O-N 2.91Å; I1290-K1292 VanDerWaalsContact C-N 3.3Å; I1290-K1292 PolarHBondContact O-N 2.98Å; I1290-E1293 PolarHBondContact O-N 3.43Å; I1290-E1293 VanDerWaalsContact O-N 3.15Å; I1290-L1294 PolarHBondContact O-N 3.36Å
1291R94.2Very high93.5Very high49 Ų4955.5 Ų55.519%0.18527%0.271CS..Hα-helixtrans-60.7-39.1176.9-167.5-168.3-76.5108.9-8.1111.6L1283 D1284 A1286 E1287 P1289 E1293 M1295L1283-R1291 PolarHBondContact O-NE 2.88Å; D1284-R1291 PolarHBondContact O-NH2 3.46Å; A1286-R1291 HydrophobicContact CB-CB 3.81Å; A1286-R1291 HydrophobicContact CB-CG 4.31Å; A1286-R1291 PolarHBondContact O-NE 3.48Å; A1286-R1291 PolarHBondContact O-NH1 3.2Å; A1286-R1291 PolarHBondContact O-NH2 3.31Å; E1287-R1291 PolarHBondContact O-N 3.27Å; P1289-R1291 VanDerWaalsContact C-N 3.32Å; P1289-R1291 PolarHBondContact O-N 2.88Å; R1291-E1293 VanDerWaalsContact C-N 3.35Å; R1291-M1295 WeakPolarHBondContact O-CB 3.25Å; R1291-M1295 VanDerWaalsContact O-CG 3.25Å; R1291-M1295 WeakPolarHBondContact O-CG 3.5Å; R1291-M1295 PolarHBondContact O-N 3.14Å
1292K92.6Very high93.2Very high132 Ų13254.5 Ų54.557%0.57427%0.268SS*.Hα-helixtrans-64.2-41.2176.1-174.4-170.8173.8-166.50110.7Q1288 P1289 I1290 M1295 I1296Q1288-K1292 VanDerWaalsContact OE1-N 3.15Å; P1289-K1292 WeakPolarHBondContact O-CA 3.34Å; P1289-K1292 VanDerWaalsContact O-CB 3.28Å; P1289-K1292 WeakPolarHBondContact O-CB 3.49Å; P1289-K1292 PolarHBondContact O-N 2.85Å; I1290-K1292 VanDerWaalsContact C-N 3.3Å; I1290-K1292 PolarHBondContact O-N 2.98Å; K1292-M1295 PolarHBondContact O-N 3Å; K1292-I1296 HydrophobicContact CG-CD1 4.05Å; K1292-I1296 VanDerWaalsContact O-CG1 3.28Å; K1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; K1292-I1296 PolarHBondContact O-N 3.22Å
1293E92.5Very high92.8Very high79 Ų7957 Ų5737%0.36929%0.294SS..Hα-helixtrans-65.3-48.6177.5-170.852.9-142.100111.6L1221 P1289 I1290 R1291 M1295 I1296 Q1297L1221-E1293 HydrophobicContact CD1-CG 4.22Å; P1289-E1293 PolarHBondContact O-N 3Å; I1290-E1293 PolarHBondContact O-N 3.43Å; I1290-E1293 VanDerWaalsContact O-N 3.15Å; R1291-E1293 VanDerWaalsContact C-N 3.35Å; E1293-M1295 VanDerWaalsContact C-N 3.26Å; E1293-M1295 PolarHBondContact O-N 3.33Å; E1293-I1296 WeakPolarHBondContact O-CA 3.23Å; E1293-I1296 WeakPolarHBondContact O-CB 3.24Å; E1293-I1296 PolarHBondContact O-N 3.24Å; E1293-Q1297 PolarHBondContact O-N 3.4Å; E1293-Q1297 PolarHBondContact OE1-NE2 3.43Å
1294L93Very high92.5Very high0 Ų060.2 Ų60.20%031%0.31CS..Hα-helixtrans-56.4-40172.8-178.161.7000112L1221 L1266 M1282 L1283 I1290 I1298L1221-L1294 HydrophobicContact CD2-CB 4.23Å; L1221-L1294 HydrophobicContact CD2-CD1 3.83Å; L1266-L1294 HydrophobicContact CD1-CD1 3.82Å; L1266-L1294 HydrophobicContact CD2-CD1 4.49Å; M1282-L1294 HydrophobicContact CB-CD2 3.82Å; L1283-L1294 HydrophobicContact CD2-CD2 3.86Å; L1283-L1294 HydrophobicContact CD2-CG 3.99Å; L1283-L1294 HydrophobicContact CG-CD2 3.93Å; L1283-L1294 HydrophobicContact CG-CG 4.41Å; I1290-L1294 PolarHBondContact O-N 3.36Å; L1294-I1298 HydrophobicContact CD1-CD1 3.88Å; L1294-I1298 HydrophobicContact CD1-CG1 4.26Å; L1294-I1298 HydrophobicContact CG-CD1 3.93Å; L1294-I1298 WeakPolarHBondContact O-CB 3.39Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.33Å; L1294-I1298 PolarHBondContact O-N 3.33Å
1295M93.2Very high92.2Very high16 Ų1657.6 Ų57.68%0.07930%0.296CS..Hα-helixtrans-67.7-30.7173.4-74.7-176.165.100113.9L1283 R1291 K1292 E1293 R1299 M1318 Y1321 Y1322L1283-M1295 HydrophobicContact CD2-CG 3.92Å; R1291-M1295 WeakPolarHBondContact O-CB 3.25Å; R1291-M1295 VanDerWaalsContact O-CG 3.25Å; R1291-M1295 WeakPolarHBondContact O-CG 3.5Å; R1291-M1295 PolarHBondContact O-N 3.14Å; K1292-M1295 PolarHBondContact O-N 3Å; E1293-M1295 VanDerWaalsContact C-N 3.26Å; E1293-M1295 PolarHBondContact O-N 3.33Å; M1295-R1299 WeakPolarHBondContact O-CB 3.27Å; M1295-R1299 PolarHBondContact O-N 3.46Å; M1295-M1318 HydrophobicContact CB-CE 3.9Å; M1295-M1318 HydrophobicContact CB-SD 4.29Å; M1295-M1318 HydrophobicContact CE-CE 4.28Å; M1295-M1318 HydrophobicContact CE-SD 4.46Å; M1295-M1318 HydrophobicContact CG-CE 4.05Å; M1295-M1318 HydrophobicContact CG-SD 3.8Å; M1295-M1318 VanDerWaalsContact O-CE 3.25Å; M1295-M1318 WeakPolarHBondContact O-CE 3.46Å; M1295-Y1321 HydrophobicContact SD-CG 4.1Å; M1295-Y1322 HydrophobicContact CE-CD1 4.05Å; M1295-Y1322 HydrophobicContact CE-CD2 4.39Å; M1295-Y1322 HydrophobicContact CE-CE1 3.8Å; M1295-Y1322 HydrophobicContact CE-CE2 4.17Å; M1295-Y1322 HydrophobicContact CE-CG 4.33Å
1296I92.5Very high92Very high78 Ų7862.9 Ų62.940%0.431%0.312SS..Hα-helixtrans-70.1-50.5174.9-74163.7000109.5K1292 E1293 I1298 R1299 P1300K1292-I1296 HydrophobicContact CG-CD1 4.05Å; K1292-I1296 VanDerWaalsContact O-CG1 3.28Å; K1292-I1296 WeakPolarHBondContact O-CG1 3.46Å; K1292-I1296 PolarHBondContact O-N 3.22Å; E1293-I1296 WeakPolarHBondContact O-CA 3.23Å; E1293-I1296 WeakPolarHBondContact O-CB 3.24Å; E1293-I1296 PolarHBondContact O-N 3.24Å; I1296-I1298 VanDerWaalsContact C-N 3.33Å; I1296-I1298 PolarHBondContact O-N 2.96Å; I1296-R1299 WeakPolarHBondContact O-CB 3.23Å; I1296-R1299 PolarHBondContact O-N 2.9Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; I1296-P1300 WeakPolarHBondContact O-CD 3.37Å
1297Q92.1Very high91.8Very high75 Ų7571.5 Ų71.535%0.3535%0.349SS..Hα-helixtrans-64.6-33.2-179.9-61.4-61-17.900112.9L1221 L1266 E1293 R1299 H1301L1221-Q1297 HydrophobicContact CD2-CB 4.15Å; L1221-Q1297 HydrophobicContact CD2-CG 3.92Å; L1266-Q1297 HydrophobicContact CD2-CB 3.52Å; E1293-Q1297 PolarHBondContact O-N 3.4Å; E1293-Q1297 PolarHBondContact OE1-NE2 3.43Å; Q1297-R1299 VanDerWaalsContact C-N 3.34Å; Q1297-R1299 PolarHBondContact O-N 3.21Å; Q1297-H1301 PolarHBondContact O-CD2 2.92Å
1298I93.5Very high91.6Very high0 Ų073.3 Ų73.30%035%0.354CS..Hα-helixtrans-70.7-28.1174.3-67.6175.2000112.3L1266 M1270 I1279 L1283 L1294 I1296 H1301 L1302 L1305 I1314 M1318L1266-I1298 HydrophobicContact CD1-CG1 4.22Å; L1266-I1298 HydrophobicContact CD2-CG1 4.05Å; L1266-I1298 HydrophobicContact CG-CG1 4.45Å; M1270-I1298 HydrophobicContact CE-CG1 4.43Å; M1270-I1298 HydrophobicContact SD-CB 4.22Å; M1270-I1298 HydrophobicContact SD-CD1 4.11Å; M1270-I1298 HydrophobicContact SD-CG1 3.63Å; M1270-I1298 HydrophobicContact SD-CG2 3.88Å; I1279-I1298 HydrophobicContact CG2-CD1 3.85Å; L1283-I1298 HydrophobicContact CD1-CD1 4Å; L1283-I1298 HydrophobicContact CD2-CD1 4.23Å; L1283-I1298 HydrophobicContact CG-CD1 4.31Å; L1294-I1298 HydrophobicContact CD1-CD1 3.88Å; L1294-I1298 HydrophobicContact CD1-CG1 4.26Å; L1294-I1298 HydrophobicContact CG-CD1 3.93Å; L1294-I1298 WeakPolarHBondContact O-CB 3.39Å; L1294-I1298 WeakPolarHBondContact O-CG1 3.33Å; L1294-I1298 PolarHBondContact O-N 3.33Å; I1296-I1298 VanDerWaalsContact C-N 3.33Å; I1296-I1298 PolarHBondContact O-N 2.96Å; I1298-H1301 PolarHBondContact O-N 3.3Å; I1298-L1302 HydrophobicContact CG2-CD2 4.17Å; I1298-L1305 HydrophobicContact CG2-CD1 4.39Å; I1298-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CG2-CG2 4.11Å; I1298-M1318 HydrophobicContact CB-CE 4Å; I1298-M1318 HydrophobicContact CB-SD 4.2Å; I1298-M1318 HydrophobicContact CD1-SD 4.34Å; I1298-M1318 HydrophobicContact CG2-CE 3.83Å; I1298-M1318 HydrophobicContact CG2-CG 3.89Å; I1298-M1318 HydrophobicContact CG2-SD 3.86Å
1299R92.4Very high91.5Very high165 Ų16572.5 Ų72.562%0.62336%0.357SS*.Hα-helixtrans-61.3-46.7-168.9175.6178168.8167.8-4.6114.7M1295 I1296 Q1297 H1301 L1302M1295-R1299 WeakPolarHBondContact O-CB 3.27Å; M1295-R1299 PolarHBondContact O-N 3.46Å; I1296-R1299 WeakPolarHBondContact O-CB 3.23Å; I1296-R1299 PolarHBondContact O-N 2.9Å; I1296-R1299 VanDerWaalsContact O-N 3.08Å; Q1297-R1299 VanDerWaalsContact C-N 3.34Å; Q1297-R1299 PolarHBondContact O-N 3.21Å; R1299-H1301 PolarHBondContact O-N 3.23Å; R1299-L1302 HydrophobicContact CG-CD1 4.37Å; R1299-L1302 WeakPolarHBondContact O-CD1 3.35Å; R1299-L1302 WeakPolarHBondContact O-CG 3.32Å; R1299-L1302 PolarHBondContact O-N 3.43Å
1300P92.5Very high91.3Very high95 Ų9571.8 Ų71.862%0.61734%0.342SS*.Hα-helixtrans-55.5-38.7175.9-27.434.8000112.9I1296 L1302I1296-P1300 WeakPolarHBondContact O-CD 3.37Å; P1300-L1302 VanDerWaalsContact C-N 3.31Å; P1300-L1302 PolarHBondContact O-N 3.22Å
1301H90.8Very high91.1Very high44 Ų4471 Ų7120%0.20434%0.338CS..Hα-helixtrans-81.3-5.2-171.9-52.2-55.5000114.2V1267 M1270 Q1297 I1298 R1299 G1303 I1304 L1305V1267-H1301 HydrophobicContact CG2-CB 4.46Å; V1267-H1301 WeakPolarHBondContact CG2-CD2 3.49Å; V1267-H1301 VanDerWaalsContact CG2-NE2 3.33Å; V1267-H1301 WeakPolarHBondContact CG2-NE2 3.45Å; M1270-H1301 HydrophobicContact CE-CB 3.98Å; Q1297-H1301 PolarHBondContact O-CD2 2.92Å; I1298-H1301 PolarHBondContact O-N 3.3Å; R1299-H1301 PolarHBondContact O-N 3.23Å; H1301-G1303 PolarHBondContact O-N 3.09Å; H1301-G1303 VanDerWaalsContact O-N 3.12Å; H1301-I1304 WeakPolarHBondContact O-CA 3.22Å; H1301-I1304 WeakPolarHBondContact O-CB 3.38Å; H1301-I1304 PolarHBondContact O-N 3.05Å; H1301-L1305 HydrophobicContact CB-CD1 4.48Å; H1301-L1305 HydrophobicContact CB-CG 4.48Å; H1301-L1305 WeakPolarHBondContact O-CG 3.39Å; H1301-L1305 PolarHBondContact O-N 3.45Å
1302L91Very high90.9Very high37 Ų3773.9 Ų73.919%0.19435%0.352CS..Hα-helixtrans-54.8-33.1179.8-66.9171.9000113.3I1298 R1299 P1300 R1306 I1315 M1318I1298-L1302 HydrophobicContact CG2-CD2 4.17Å; R1299-L1302 HydrophobicContact CG-CD1 4.37Å; R1299-L1302 WeakPolarHBondContact O-CD1 3.35Å; R1299-L1302 WeakPolarHBondContact O-CG 3.32Å; R1299-L1302 PolarHBondContact O-N 3.43Å; P1300-L1302 VanDerWaalsContact C-N 3.31Å; P1300-L1302 PolarHBondContact O-N 3.22Å; L1302-R1306 WeakPolarHBondContact O-CG 3.43Å; L1302-R1306 PolarHBondContact O-N 3.48Å; L1302-I1315 HydrophobicContact CD2-CG1 3.83Å; L1302-M1318 HydrophobicContact CD2-CB 4.4Å; L1302-M1318 HydrophobicContact CD2-CG 4.25Å
1303G89.5Confident90.8Very high52 Ų5271.8 Ų71.854%0.53634%0.344SS..Hα-helixtrans-67.5-38.4174.300000113.4H1301H1301-G1303 PolarHBondContact O-N 3.09Å; H1301-G1303 VanDerWaalsContact O-N 3.12Å
1304I88.1Confident90.8Very high67 Ų6768 Ų6834%0.34433%0.326SS..Hα-helixtrans-70.3-47.6175.7-60.3173.1000109.7H1301 R1306 K1307 Y1308H1301-I1304 WeakPolarHBondContact O-CA 3.22Å; H1301-I1304 WeakPolarHBondContact O-CB 3.38Å; H1301-I1304 PolarHBondContact O-N 3.05Å; I1304-R1306 PolarHBondContact O-N 2.8Å; I1304-R1306 VanDerWaalsContact O-N 3.15Å; I1304-K1307 WeakPolarHBondContact O-CB 3.39Å; I1304-K1307 PolarHBondContact O-N 3.19Å; I1304-Y1308 HydrophobicContact CG2-CD2 4.35Å; I1304-Y1308 HydrophobicContact CG2-CE2 3.78Å; I1304-Y1308 WeakPolarHBondContact O-CD2 3.35Å
1305L90.7Very high90.8Very high1 Ų168.5 Ų68.51%0.00533%0.329CS..Hα-helixtrans-60.7-26.3-176.4-66.8173.4000113.6M1270 I1298 H1301 K1307 Y1308 I1315M1270-L1305 HydrophobicContact CB-CD2 3.61Å; M1270-L1305 HydrophobicContact CE-CD1 3.95Å; M1270-L1305 HydrophobicContact CE-CD2 4.29Å; M1270-L1305 HydrophobicContact CE-CG 4.49Å; M1270-L1305 HydrophobicContact SD-CD1 3.65Å; M1270-L1305 HydrophobicContact SD-CD2 4.37Å; I1298-L1305 HydrophobicContact CG2-CD1 4.39Å; H1301-L1305 HydrophobicContact CB-CD1 4.48Å; H1301-L1305 HydrophobicContact CB-CG 4.48Å; H1301-L1305 WeakPolarHBondContact O-CG 3.39Å; H1301-L1305 PolarHBondContact O-N 3.45Å; L1305-K1307 PolarHBondContact O-N 3.06Å; L1305-Y1308 PolarHBondContact O-N 2.77Å; L1305-Y1308 VanDerWaalsContact O-N 3.11Å; L1305-I1315 HydrophobicContact CB-CD1 3.74Å; L1305-I1315 HydrophobicContact CB-CG1 4.14Å
1306R90.8Very high90.7Very high154 Ų15472 Ų7258%0.58135%0.348SS*.THydrogen-bonded Turntrans-60.5-25.6173.7-77.3174178.5-131.7-11.2113L1302 I1304 I1315 E1319L1302-R1306 WeakPolarHBondContact O-CG 3.43Å; L1302-R1306 PolarHBondContact O-N 3.48Å; I1304-R1306 PolarHBondContact O-N 2.8Å; I1304-R1306 VanDerWaalsContact O-N 3.15Å; R1306-I1315 HydrophobicContact CB-CD1 4.31Å; R1306-I1315 HydrophobicContact CG-CD1 3.53Å; R1306-E1319 IonicContact NH2-OE1 2.68Å; R1306-E1319 PolarHBondContact NH2-OE1 2.75Å
1307K90.3Very high90.7Very high180 Ų18069.8 Ų69.878%0.78334%0.335SS*.THydrogen-bonded Turntrans-78.7-20.2177.1-56.8-177.1180-179.50113.4I1304 L1305I1304-K1307 WeakPolarHBondContact O-CB 3.39Å; I1304-K1307 PolarHBondContact O-N 3.19Å; L1305-K1307 PolarHBondContact O-N 3.06Å
1308Y89Confident90.7Very high89 Ų8966.2 Ų66.235%0.34932%0.319SS..SBendtrans-101.1142.2-176-68.2-97.6000111.6K1271 I1304 L1305 Y1310K1271-Y1308 HydrophobicContact CB-CD1 4.03Å; K1271-Y1308 HydrophobicContact CB-CE1 4.05Å; K1271-Y1308 HydrophobicContact CD-CD1 4.49Å; K1271-Y1308 HydrophobicContact CD-CE1 3.86Å; K1271-Y1308 HydrophobicContact CD-CE2 3.99Å; K1271-Y1308 WeakPolarHBondContact CE-OH 3.43Å; K1271-Y1308 HydrophobicContact CG-CD1 3.9Å; K1271-Y1308 HydrophobicContact CG-CD2 4.07Å; K1271-Y1308 HydrophobicContact CG-CE1 3.79Å; K1271-Y1308 HydrophobicContact CG-CE2 3.96Å; K1271-Y1308 HydrophobicContact CG-CG 4.05Å; K1271-Y1308 PolarHBondContact NZ-OH 3.08Å; I1304-Y1308 HydrophobicContact CG2-CD2 4.35Å; I1304-Y1308 HydrophobicContact CG2-CE2 3.78Å; I1304-Y1308 WeakPolarHBondContact O-CD2 3.35Å; L1305-Y1308 PolarHBondContact O-N 2.77Å; L1305-Y1308 VanDerWaalsContact O-N 3.11Å; Y1308-Y1310 PolarHBondContact O-N 3.15Å
1309T88.7Confident90.6Very high96 Ų9670.4 Ų70.459%0.58934%0.338SS*.THydrogen-bonded Turntrans-58-49.7177.8-54.70000111.5
1310Y88.4Confident90.4Very high83 Ų8369.6 Ų69.633%0.32534%0.339SS..THydrogen-bonded Turntrans-71-38.3-176.2-48.3-64.8000112.8K1271 Q1273 Y1308 K1312 H1313K1271-Y1310 WeakPolarHBondContact O-CD2 3.44Å; Q1273-Y1310 HydrophobicContact CB-CD2 4.39Å; Q1273-Y1310 HydrophobicContact CB-CE1 3.87Å; Q1273-Y1310 HydrophobicContact CB-CE2 3.72Å; Q1273-Y1310 VanDerWaalsContact CB-CZ 3.42Å; Q1273-Y1310 WeakPolarHBondContact CB-OH 3.37Å; Y1308-Y1310 PolarHBondContact O-N 3.15Å; Y1310-K1312 PolarHBondContact O-N 3.47Å; Y1310-K1312 VanDerWaalsContact O-N 3.11Å; Y1310-H1313 PolarHBondContact O-CD2 3.12Å; Y1310-H1313 PolarHBondContact O-N 3.07Å
1311G87.9Confident90.1Very high0 Ų066.8 Ų66.80%032%0.317CS..Hα-helixtrans-58.2-26.5179.700000114.4H1313 I1314 I1315G1311-H1313 VanDerWaalsContact C-N 3.29Å; G1311-H1313 PolarHBondContact O-N 3.35Å; G1311-I1314 PolarHBondContact O-N 3.18Å; G1311-I1315 WeakPolarHBondContact O-CD1 3.24Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.42Å; G1311-I1315 PolarHBondContact O-N 3.29Å
1312K89.5Confident89.8Confident109 Ų10968 Ų6847%0.47432%0.32SS..Hα-helixtrans-59.9-35.2174.7-67.9172-176.3175.80113Y1310 I1314 I1315 N1316Y1310-K1312 PolarHBondContact O-N 3.47Å; Y1310-K1312 VanDerWaalsContact O-N 3.11Å; K1312-I1314 VanDerWaalsContact C-N 3.35Å; K1312-I1315 PolarHBondContact O-N 3.03Å; K1312-N1316 WeakPolarHBondContact O-CB 3.45Å; K1312-N1316 PolarHBondContact O-N 3.34Å; K1312-N1316 PolarHBondContact O-ND2 3.23Å; K1312-N1316 PolarHBondContact O-OD1 2.89Å
1313H90.4Very high89.4Confident87 Ų8772.5 Ų72.540%0.40334%0.342SS..Hα-helixtrans-68.1-37.8177.9-59.7-76.3000111.5Y1310 G1311 K1317Y1310-H1313 PolarHBondContact O-CD2 3.12Å; Y1310-H1313 PolarHBondContact O-N 3.07Å; G1311-H1313 VanDerWaalsContact C-N 3.29Å; G1311-H1313 PolarHBondContact O-N 3.35Å; H1313-K1317 WeakPolarHBondContact O-CB 3.36Å; H1313-K1317 PolarHBondContact O-N 2.79Å; H1313-K1317 VanDerWaalsContact O-N 3.15Å
1314I93.1Very high89Confident0 Ų073.5 Ų73.50%033%0.331CS..Hα-helixtrans-67.3-44.5175.5-56.2-178.5000110.6M1270 N1276 I1279 Q1280 L1283 I1298 G1311 K1312 N1316 K1317 M1318M1270-I1314 HydrophobicContact CB-CD1 3.69Å; M1270-I1314 HydrophobicContact CG-CD1 3.57Å; M1270-I1314 HydrophobicContact SD-CD1 4.25Å; M1270-I1314 HydrophobicContact SD-CG2 4.28Å; N1276-I1314 HydrophobicContact CB-CD1 4.11Å; I1279-I1314 HydrophobicContact CB-CD1 4.17Å; I1279-I1314 HydrophobicContact CG2-CD1 4.05Å; Q1280-I1314 HydrophobicContact CG-CG1 4.05Å; L1283-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CD1-CG2 4.35Å; I1298-I1314 HydrophobicContact CG2-CG2 4.11Å; G1311-I1314 PolarHBondContact O-N 3.18Å; K1312-I1314 VanDerWaalsContact C-N 3.35Å; I1314-N1316 PolarHBondContact O-N 3.25Å; I1314-K1317 WeakPolarHBondContact O-CA 3.36Å; I1314-K1317 WeakPolarHBondContact O-CB 3.41Å; I1314-K1317 PolarHBondContact O-N 2.93Å; I1314-M1318 HydrophobicContact CG2-CG 4.35Å; I1314-M1318 VanDerWaalsContact O-CG 3.32Å; I1314-M1318 WeakPolarHBondContact O-CG 3.49Å; I1314-M1318 PolarHBondContact O-N 3.43Å
1315I92.7Very high88.3Confident10 Ų1073.9 Ų73.95%0.05134%0.337CS..Hα-helixtrans-57.3-51.4175.3-67.6156.2000111L1302 L1305 R1306 G1311 K1312 K1317 M1318 E1319L1302-I1315 HydrophobicContact CD2-CG1 3.83Å; L1305-I1315 HydrophobicContact CB-CD1 3.74Å; L1305-I1315 HydrophobicContact CB-CG1 4.14Å; R1306-I1315 HydrophobicContact CB-CD1 4.31Å; R1306-I1315 HydrophobicContact CG-CD1 3.53Å; G1311-I1315 WeakPolarHBondContact O-CD1 3.24Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.42Å; G1311-I1315 PolarHBondContact O-N 3.29Å; K1312-I1315 PolarHBondContact O-N 3.03Å; I1315-K1317 PolarHBondContact O-N 3.23Å; I1315-K1317 VanDerWaalsContact O-N 3.1Å; I1315-M1318 WeakPolarHBondContact O-CB 3.31Å; I1315-M1318 PolarHBondContact O-N 2.75Å; I1315-M1318 VanDerWaalsContact O-N 3.14Å; I1315-E1319 HydrophobicContact CG2-CG 4.4Å; I1315-E1319 WeakPolarHBondContact CG2-OE1 3.4Å; I1315-E1319 WeakPolarHBondContact O-CG 3.35Å; I1315-E1319 PolarHBondContact O-N 2.89Å
1316N91.5Very high87.2Confident89 Ų8978.5 Ų78.548%0.47636%0.362SS..Hα-helixtrans-58.8-25.5177.6-67.2-8.9000112.8K1312 I1314 K1320K1312-N1316 WeakPolarHBondContact O-CB 3.45Å; K1312-N1316 PolarHBondContact O-N 3.34Å; K1312-N1316 PolarHBondContact O-ND2 3.23Å; K1312-N1316 PolarHBondContact O-OD1 2.89Å; I1314-N1316 PolarHBondContact O-N 3.25Å; N1316-K1320 WeakPolarHBondContact O-CG 3.26Å
1317K92.2Very high85.9Confident32 Ų3277.3 Ų77.314%0.13936%0.363CS..Hα-helixtrans-82.5-44177.1-159.6165.3-164.3169.10111.7Q1280 L1283 D1284 H1313 I1314 I1315 E1319 K1320 Y1321Q1280-K1317 HydrophobicContact CB-CD 4.04Å; Q1280-K1317 HydrophobicContact CG-CD 3.97Å; Q1280-K1317 WeakPolarHBondContact O-CE 3.44Å; Q1280-K1317 PolarHBondContact O-NZ 2.96Å; L1283-K1317 HydrophobicContact CB-CD 4.43Å; L1283-K1317 HydrophobicContact CD1-CD 4.47Å; D1284-K1317 WeakPolarHBondContact OD1-CE 3.23Å; D1284-K1317 IonicContact OD1-NZ 2.97Å; D1284-K1317 PolarHBondContact OD1-NZ 3.09Å; D1284-K1317 IonicContact OD2-NZ 2.7Å; D1284-K1317 PolarHBondContact OD2-NZ 2.88Å; H1313-K1317 WeakPolarHBondContact O-CB 3.36Å; H1313-K1317 PolarHBondContact O-N 2.79Å; H1313-K1317 VanDerWaalsContact O-N 3.15Å; I1314-K1317 WeakPolarHBondContact O-CA 3.36Å; I1314-K1317 WeakPolarHBondContact O-CB 3.41Å; I1314-K1317 PolarHBondContact O-N 2.93Å; I1315-K1317 PolarHBondContact O-N 3.23Å; I1315-K1317 VanDerWaalsContact O-N 3.1Å; K1317-E1319 VanDerWaalsContact C-N 3.34Å; K1317-E1319 PolarHBondContact O-N 2.76Å; K1317-K1320 WeakPolarHBondContact O-CB 3.38Å; K1317-K1320 PolarHBondContact O-N 3.04Å; K1317-Y1321 HydrophobicContact CG-CD2 4.39Å; K1317-Y1321 HydrophobicContact CG-CE2 4.05Å; K1317-Y1321 VanDerWaalsContact O-CD2 3.26Å; K1317-Y1321 WeakPolarHBondContact O-CD2 3.24Å; K1317-Y1321 PolarHBondContact O-N 2.78Å; K1317-Y1321 VanDerWaalsContact O-N 3.14Å
1318M91.9Very high84.5Confident1 Ų172.5 Ų72.51%0.00535%0.345CS..Hα-helixtrans-57.1-45.8172.5-70-70.4-70.500111.6L1283 M1295 I1298 L1302 I1314 I1315 K1320 Y1321 Y1322L1283-M1318 HydrophobicContact CD1-SD 4.28Å; L1283-M1318 HydrophobicContact CD2-SD 4.19Å; M1295-M1318 HydrophobicContact CB-CE 3.9Å; M1295-M1318 HydrophobicContact CB-SD 4.29Å; M1295-M1318 HydrophobicContact CE-CE 4.28Å; M1295-M1318 HydrophobicContact CE-SD 4.46Å; M1295-M1318 HydrophobicContact CG-CE 4.05Å; M1295-M1318 HydrophobicContact CG-SD 3.8Å; M1295-M1318 VanDerWaalsContact O-CE 3.25Å; M1295-M1318 WeakPolarHBondContact O-CE 3.46Å; I1298-M1318 HydrophobicContact CB-CE 4Å; I1298-M1318 HydrophobicContact CB-SD 4.2Å; I1298-M1318 HydrophobicContact CD1-SD 4.34Å; I1298-M1318 HydrophobicContact CG2-CE 3.83Å; I1298-M1318 HydrophobicContact CG2-CG 3.89Å; I1298-M1318 HydrophobicContact CG2-SD 3.86Å; L1302-M1318 HydrophobicContact CD2-CB 4.4Å; L1302-M1318 HydrophobicContact CD2-CG 4.25Å; I1314-M1318 HydrophobicContact CG2-CG 4.35Å; I1314-M1318 VanDerWaalsContact O-CG 3.32Å; I1314-M1318 WeakPolarHBondContact O-CG 3.49Å; I1314-M1318 PolarHBondContact O-N 3.43Å; I1315-M1318 WeakPolarHBondContact O-CB 3.31Å; I1315-M1318 PolarHBondContact O-N 2.75Å; I1315-M1318 VanDerWaalsContact O-N 3.14Å; M1318-K1320 VanDerWaalsContact C-N 3.34Å; M1318-K1320 PolarHBondContact O-N 2.77Å; M1318-Y1321 PolarHBondContact O-N 2.76Å; M1318-Y1321 VanDerWaalsContact O-N 3.08Å; M1318-Y1322 HydrophobicContact CB-CE2 4.26Å; M1318-Y1322 HydrophobicContact CE-CE2 3.89Å; M1318-Y1322 WeakPolarHBondContact O-CD2 3.49Å; M1318-Y1322 PolarHBondContact O-N 2.82Å
1319E90.7Very high82.8Confident87 Ų8776 Ų7641%0.40736%0.364SS..Hα-helixtrans-59.8-40.5177.9-71.9174179.100112.1R1306 I1315 K1317 Y1321 Y1322 M1323R1306-E1319 IonicContact NH2-OE1 2.68Å; R1306-E1319 PolarHBondContact NH2-OE1 2.75Å; I1315-E1319 HydrophobicContact CG2-CG 4.4Å; I1315-E1319 WeakPolarHBondContact CG2-OE1 3.4Å; I1315-E1319 WeakPolarHBondContact O-CG 3.35Å; I1315-E1319 PolarHBondContact O-N 2.89Å; K1317-E1319 VanDerWaalsContact C-N 3.34Å; K1317-E1319 PolarHBondContact O-N 2.76Å; E1319-Y1321 PolarHBondContact O-N 3.28Å; E1319-Y1322 PolarHBondContact O-N 3.37Å; E1319-M1323 WeakPolarHBondContact O-CG 3.43Å; E1319-M1323 PolarHBondContact O-N 2.84Å
1320K89Confident81.2Confident149 Ų14977.1 Ų77.165%0.64837%0.366SS*.Hα-helixtrans-61.6-40.5172.1-72.4172.1-179.3-177.10112.8N1316 K1317 M1318 M1323 K1324N1316-K1320 WeakPolarHBondContact O-CG 3.26Å; K1317-K1320 WeakPolarHBondContact O-CB 3.38Å; K1317-K1320 PolarHBondContact O-N 3.04Å; M1318-K1320 VanDerWaalsContact C-N 3.34Å; M1318-K1320 PolarHBondContact O-N 2.77Å; K1320-M1323 PolarHBondContact O-N 2.63Å; K1320-K1324 VanDerWaalsContact O-CB 3.27Å; K1320-K1324 WeakPolarHBondContact O-CB 3.4Å; K1320-K1324 PolarHBondContact O-N 3.28Å
1321Y85.5Confident79.7Confident35 Ų3574.8 Ų74.814%0.13736%0.363CS..Hα-helixtrans-68.4-39.6176.6-80.4-73.1000112.5L1283 D1284 M1295 K1317 M1318 E1319 K1324 T1325L1283-Y1321 HydrophobicContact CB-CE2 4.25Å; L1283-Y1321 PolarHBondContact O-OH 3.5Å; D1284-Y1321 WeakPolarHBondContact CA-OH 3.39Å; M1295-Y1321 HydrophobicContact SD-CG 4.1Å; K1317-Y1321 HydrophobicContact CG-CD2 4.39Å; K1317-Y1321 HydrophobicContact CG-CE2 4.05Å; K1317-Y1321 VanDerWaalsContact O-CD2 3.26Å; K1317-Y1321 WeakPolarHBondContact O-CD2 3.24Å; K1317-Y1321 PolarHBondContact O-N 2.78Å; K1317-Y1321 VanDerWaalsContact O-N 3.14Å; M1318-Y1321 PolarHBondContact O-N 2.76Å; M1318-Y1321 VanDerWaalsContact O-N 3.08Å; E1319-Y1321 PolarHBondContact O-N 3.28Å; Y1321-K1324 PolarHBondContact O-N 2.74Å; Y1321-T1325 WeakPolarHBondContact O-CB 3.36Å; Y1321-T1325 PolarHBondContact O-N 2.95Å; Y1321-T1325 PolarHBondContact O-OG1 3.43Å
1322Y85.6Confident78.3Confident70 Ų7079.9 Ų79.928%0.27540%0.395SS..Hα-helixtrans-62.5-44.9173-71.2-60.2000111.7M1295 M1318 E1319 K1324 T1325 N1326M1295-Y1322 HydrophobicContact CE-CD1 4.05Å; M1295-Y1322 HydrophobicContact CE-CD2 4.39Å; M1295-Y1322 HydrophobicContact CE-CE1 3.8Å; M1295-Y1322 HydrophobicContact CE-CE2 4.17Å; M1295-Y1322 HydrophobicContact CE-CG 4.33Å; M1318-Y1322 HydrophobicContact CB-CE2 4.26Å; M1318-Y1322 HydrophobicContact CE-CE2 3.89Å; M1318-Y1322 WeakPolarHBondContact O-CD2 3.49Å; M1318-Y1322 PolarHBondContact O-N 2.82Å; E1319-Y1322 PolarHBondContact O-N 3.37Å; Y1322-K1324 PolarHBondContact O-N 3.08Å; Y1322-T1325 PolarHBondContact O-N 3.01Å; Y1322-N1326 WeakPolarHBondContact O-CB 3.36Å; Y1322-N1326 PolarHBondContact O-N 3.09Å; Y1322-N1326 PolarHBondContact O-OD1 2.96Å
1323M82.9Confident76.3Confident131 Ų13177.5 Ų77.565%0.64540%0.401SS*.Hα-helixtrans-57.6-49.4172.9-75-178.7160.600112.5E1319 K1320 T1325 N1326 Q1327E1319-M1323 WeakPolarHBondContact O-CG 3.43Å; E1319-M1323 PolarHBondContact O-N 2.84Å; K1320-M1323 PolarHBondContact O-N 2.63Å; M1323-T1325 PolarHBondContact O-N 2.71Å; M1323-N1326 PolarHBondContact O-N 3.19Å; M1323-Q1327 WeakPolarHBondContact O-CG 3.09Å; M1323-Q1327 PolarHBondContact O-N 3.32Å
1324K79.9Confident74.6Confident73 Ų7380 Ų8032%0.31742%0.417SS..Hα-helixtrans-65-21.3-179.4-173.8169.3173.9173.40113.2H232 K1320 Y1321 Y1322H232-K1324 VanDerWaalsContact CE1-CE 3.48Å; H232-K1324 WeakPolarHBondContact CE1-CE 3.4Å; H232-K1324 PolarHBondContact CE1-NZ 3.4Å; H232-K1324 VanDerWaalsContact NE2-CD 3.3Å; H232-K1324 WeakPolarHBondContact NE2-CD 3.38Å; H232-K1324 WeakPolarHBondContact NE2-CE 3.41Å; H232-K1324 PolarHBondContact NE2-NZ 3.42Å; H232-K1324 VanDerWaalsContact NE2-NZ 3.11Å; K1320-K1324 VanDerWaalsContact O-CB 3.27Å; K1320-K1324 WeakPolarHBondContact O-CB 3.4Å; K1320-K1324 PolarHBondContact O-N 3.28Å; Y1321-K1324 PolarHBondContact O-N 2.74Å; Y1322-K1324 PolarHBondContact O-N 3.08Å
1325T73.1Confident72.6Confident76 Ų7685.6 Ų85.647%0.46645%0.446SS..Hα-helixtrans-88.1-47.2175.9-540000111.6Y1321 Y1322 M1323 Q1327 L1328 H1329Y1321-T1325 WeakPolarHBondContact O-CB 3.36Å; Y1321-T1325 PolarHBondContact O-N 2.95Å; Y1321-T1325 PolarHBondContact O-OG1 3.43Å; Y1322-T1325 PolarHBondContact O-N 3.01Å; M1323-T1325 PolarHBondContact O-N 2.71Å; T1325-Q1327 VanDerWaalsContact C-N 3.3Å; T1325-Q1327 PolarHBondContact O-N 3.04Å; T1325-L1328 WeakPolarHBondContact O-CB 3.4Å; T1325-L1328 PolarHBondContact O-N 3.03Å; T1325-H1329 PolarHBondContact O-N 3.28Å
1326N68.6Low70.2Confident98 Ų9889.3 Ų89.352%0.52447%0.473SS..Hα-helixtrans-62.1-37.9178.8-70.2-0.1000111.9Y1322 M1323 L1328 H1329 L1330Y1322-N1326 WeakPolarHBondContact O-CB 3.36Å; Y1322-N1326 PolarHBondContact O-N 3.09Å; Y1322-N1326 PolarHBondContact O-OD1 2.96Å; M1323-N1326 PolarHBondContact O-N 3.19Å; N1326-L1328 VanDerWaalsContact C-N 3.27Å; N1326-L1328 PolarHBondContact O-N 3.02Å; N1326-H1329 PolarHBondContact O-N 3.29Å; N1326-L1330 PolarHBondContact O-N 2.8Å
1327Q63Low68.2Low129 Ų12990.9 Ų90.960%0.60349%0.488SS*.Hα-helixtrans-60.2-34173.1-75.9176.9-7.900113.2M1323 T1325 A1331M1323-Q1327 WeakPolarHBondContact O-CG 3.09Å; M1323-Q1327 PolarHBondContact O-N 3.32Å; T1325-Q1327 VanDerWaalsContact C-N 3.3Å; T1325-Q1327 PolarHBondContact O-N 3.04Å; Q1327-A1331 VanDerWaalsContact O-CB 3.28Å; Q1327-A1331 WeakPolarHBondContact O-CB 3.48Å; Q1327-A1331 PolarHBondContact O-N 3.12Å
1328L60.4Low65.8Low78 Ų7894.7 Ų94.741%0.40852%0.519SS..Hα-helixtrans-71-40.1175.8-74.7167.3000111.5T1325 N1326 A1331 V1332T1325-L1328 WeakPolarHBondContact O-CB 3.4Å; T1325-L1328 PolarHBondContact O-N 3.03Å; N1326-L1328 VanDerWaalsContact C-N 3.27Å; N1326-L1328 PolarHBondContact O-N 3.02Å; L1328-A1331 PolarHBondContact O-N 3.18Å; L1328-V1332 WeakPolarHBondContact O-CG2 3.28Å; L1328-V1332 PolarHBondContact O-N 3.42Å; L1328-V1332 VanDerWaalsContact O-N 3.15Å
1329H54.1Low63.7Low164 Ų164100.3 Ų100.376%0.75956%0.555SS**Hα-helixtrans-67-39178.2-152.177.2000111.9T1325 N1326 G1333T1325-H1329 PolarHBondContact O-N 3.28Å; N1326-H1329 PolarHBondContact O-N 3.29Å; H1329-G1333 PolarHBondContact O-N 2.92Å
1330L54.9Low61.9Low119 Ų119101.6 Ų101.662%0.62357%0.571SS**Hα-helixtrans-67.8-39.2173.7-82.2154.3000113.1N1326 G1333 L1334N1326-L1330 PolarHBondContact O-N 2.8Å; L1330-G1333 PolarHBondContact O-N 3.1Å; L1330-L1334 PolarHBondContact O-N 2.83Å
1331A56.7Low59.9Low33 Ų33100.7 Ų100.727%0.27358%0.58SS.*Hα-helixtrans-66.3-35.5178.100000113Q1327 L1328Q1327-A1331 VanDerWaalsContact O-CB 3.28Å; Q1327-A1331 WeakPolarHBondContact O-CB 3.48Å; Q1327-A1331 PolarHBondContact O-N 3.12Å; L1328-A1331 PolarHBondContact O-N 3.18Å
1332V57.8Low57.5Low108 Ų108104.5 Ų104.566%0.65561%0.612SS**Hα-helixtrans-70-35.3174.7173.20000111.5L1328 L1334L1328-V1332 WeakPolarHBondContact O-CG2 3.28Å; L1328-V1332 PolarHBondContact O-N 3.42Å; L1328-V1332 VanDerWaalsContact O-N 3.15Å; V1332-L1334 VanDerWaalsContact C-N 3.3Å; V1332-L1334 PolarHBondContact O-N 3.23Å
1333G48.7Very low55.2Low58 Ų58108.8 Ų108.860%0.59864%0.639SS**Hα-helixtrans-69.8-17.6-179.600000115.8H1329 L1330H1329-G1333 PolarHBondContact O-N 2.92Å; L1330-G1333 PolarHBondContact O-N 3.1Å
1334L54.5Low53Low141 Ų141109.2 Ų109.274%0.73864%0.644SS**Hα-helixtrans-103.1-15.5-176.5-67.9173.7000114.4L1330 V1332L1330-L1334 PolarHBondContact O-N 2.83Å; V1332-L1334 VanDerWaalsContact C-N 3.3Å; V1332-L1334 PolarHBondContact O-N 3.23Å
1335N50.3Low51.1Low117 Ų117112.6 Ų112.663%0.62667%0.665SS**SBendtrans-102.913.4-176.2-71.411.8000113.7
1336S43.6Very low49.4Very low87 Ų87114.2 Ų114.261%0.60867%0.674SS**SBendtrans-85.6118.5171.8-63.40000110.2
1337P49.5Very low48.1Very low123 Ų123116.9 Ų116.980%0.79969%0.689SS**PPolyproline II helixtrans-67142.2178.627.5-34.1000111.4
1338S40.4Very low46.9Very low112 Ų112114.6 Ų114.678%0.78369%0.692SS**PPolyproline II helixtrans-67.6133.9178.9-45.20000111.1
1339P49.4Very low45.9Very low119 Ų119116.3 Ų116.377%0.77371%0.71SS**PPolyproline II helixtrans-67.7137.717627.8-33.8000110.8
1340P51.9Low45.2Very low113 Ų113112.9 Ų112.973%0.73471%0.705SS**PPolyproline II helixtrans-71.3150.7176.929.9-34.8000111.7
1341P46.9Very low44.5Very low130 Ų130113.8 Ų113.884%0.84471%0.71SS**PPolyproline II helixtrans-73.3136.7-17829.7-34.8000112.7
1342S36Very low43.8Very low115 Ų115119.3 Ų119.380%0.80473%0.734SS**PPolyproline II helixtrans-74.8144.7-173.8-43.60000114.6
1343L37.1Very low42.9Very low161 Ų161120.1 Ų120.184%0.84374%0.739SS**  trans-140.399.2156.3-81.5177.6000111.4
1344D37.4Very low42.3Very low139 Ų139125.9 Ų125.974%0.74375%0.75SS**  trans60.4147.8138.1-67.6-25000125.8
1345L38.6Very low42Very low145 Ų145124.4 Ų124.476%0.75975%0.749SS**  trans97.378.8141.9-103.835.1000122.7
1346V38.6Very low41.6Very low110 Ų110124.7 Ų124.767%0.66775%0.751SS**  66.3131.5128.9-70.80000125.7
1347N39.7Very low41.4Very low154 Ų154126.9 Ų126.982%0.82476%0.755SS**  trans65.8148.7135-63.4-9.7000120.2
1348A38.1Very low40.9Very low80 Ų80127.4 Ų127.466%0.66175%0.751SS**  cis-155.9157.61600000113.8
1349S39.3Very low40.9Very low114 Ų114126.4 Ų126.480%0.79774%0.744SS**  trans60.9154.3144.1-60.30000120.2
1350S40.5Very low40.4Very low93 Ų93125.8 Ų125.865%0.6574%0.738SS**  cis177.6159.6-13.252.80000108.8
1351N40.6Very low39.7Very low137 Ų137126.2 Ų126.273%0.73373%0.733SS**  cis-177.4165.2-16.2-93.1-14.3000108.6
1352I42.3Very low39.4Very low150 Ų150129.6 Ų129.677%0.76973%0.729SS**  trans74.3144146.4-78162.7000117.3
1353T38.1Very low39.7Very low124 Ų124129.7 Ų129.776%0.76173%0.73SS**  cis-144165.519.1-20.20000114.6
1354Q36.8Very low39.5Very low180 Ų180127.5 Ų127.584%0.84173%0.727SS**  trans-112.2-136.8161.1-49.5179.7-57.200108.6
1355P48Very low39.7Very low109 Ų109124.3 Ų124.371%0.70873%0.726SS**  cis-115.5-132.2-5.324.93.1000110.8
1356N41.9Very low39.7Very low124 Ų124124.9 Ų124.966%0.66373%0.73SS**  cis-170.3168.55-151.3-5.5000113.6
1357L38.6Very low39.7Very low132 Ų132124.8 Ų124.869%0.69173%0.73SS**  trans66.9140.9159.2-56.9171.7000119.4
1358N39.3Very low39.6Very low135 Ų135124.6 Ų124.672%0.72272%0.724SS**  cis179.4171.6-19.2-113.58.8000107.3
1359S39.5Very low39.6Very low91 Ų91127.1 Ų127.164%0.63673%0.726SS**  cis179.3-169-21.1620000107
1360T39.3Very low39.5Very low106 Ų106126.7 Ų126.765%0.6572%0.723SS**  cis-174.1156.27.4-166.50000112.6
1361I38.3Very low39.3Very low121 Ų121127.7 Ų127.762%0.62173%0.73SS**  trans65.6146145.4-76.6167000121.1
1362R38.8Very low38.9Very low201 Ų201126 Ų12676%0.75874%0.735SS**  cis-160.5166.7-12.2-102.6171.9-150.5163.76.7107.7
1363S42.9Very low38.5Very low118 Ų118123.1 Ų123.183%0.82573%0.734SS**  -172.1-179.859.4-161.50000113.2
1364C34Very low38.2Very low115 Ų115122.2 Ų122.278%0.77773%0.733SS**  trans-134.1166.1-133.7-57.90000116.5
1365G41.3Very low38Very low71 Ų71120.7 Ų120.773%0.73273%0.729SS**  trans-178.278171.400000117.6
1366N37.3Very low37.1Very low158 Ų158123 Ų12385%0.84574%0.735SS**  trans27.6125.4141.9-73.58.3000119.8
1367T38.7Very low36.9Very low108 Ų108122.7 Ų122.766%0.66374%0.739SS**  cis-150.2-170.923.262.30000110.5
1368H39Very low36.9Very low150 Ų150121.9 Ų121.969%0.69474%0.742SS**  cis-156.2176.86.6-128.7-40.8000111.7
1369N36.7Very low36.3Very low133 Ų133122.6 Ų122.671%0.71175%0.745SS**  trans-9.4131.5154.9-58.511.5000117.2
1370S38.2Very low35.8Very low105 Ų105126 Ų12673%0.73476%0.756SS**  cis-153.5153.512.7-53.80000112.6
1371S35.8Very low35.6Very low113 Ų113126.5 Ų126.579%0.7976%0.758SS**  trans47.2100.5153.2-50.10000118.6
1372A33Very low35.2Very low102 Ų102126.9 Ų126.984%0.84377%0.769SS**  69.2133.27300000115
1373A33.5Very low35.1Very low90 Ų90123.1 Ų123.174%0.74477%0.768SS**  cis-164.5152.6-10.400000113.5
1374S31.6Very low34.5Very low105 Ų105124.2 Ų124.273%0.73477%0.765SS**  trans56122.5141.9-64.90000125.1
1375L31.7Very low34.3Very low147 Ų147127.5 Ų127.577%0.7777%0.771SS**  trans81.6108.7131.4-65.8168000122.8
1376L30.6Very low34Very low158 Ų158128 Ų12883%0.82777%0.768SS**  trans63.8155.4145.1-55.8168.4000118.5
1377P36.5Very low33.7Very low117 Ų117127.8 Ų127.876%0.7677%0.765SS**  cis-116-133.5-25.639.7-20.8000108.3
1378P38Very low33.5Very low115 Ų115133.8 Ų133.875%0.74778%0.776SS**  cis-126.6-76.2-28.831.3-10.6000115.9
1379L27.8Very low33.4Very low151 Ų151132.7 Ų132.779%0.79178%0.78SS**  trans-152.2171.9-164.5-80.9161.3000110.4
1380L29.7Very low33.1Very low163 Ų163132 Ų13285%0.85379%0.786SS**  trans74.4147.2176.7-48.4166.3000114.2
1381T34.2Very low33Very low115 Ų115136.5 Ų136.571%0.70679%0.792SS**  cis-157.6152.7-13.713.60000108.5T1383T1381-T1383 PolarHBondContact O-N 2.71Å
1382P29.7Very low32.9Very low129 Ų129136.3 Ų136.384%0.83879%0.786SS**  trans-9291.9-172.935.2-34.4000114.9
1383T36.5Very low32.9Very low122 Ų122139.2 Ų139.275%0.74879%0.786SS**  trans-146.6130.4165.9-48.40000112.7T1381T1381-T1383 PolarHBondContact O-N 2.71Å
1384D31.6Very low32.7Very low142 Ų142139.4 Ų139.476%0.75978%0.782SS**  trans38.2108162.1-63.6-26.1000122.4
1385M29.8Very low32.7Very low183 Ų183140.2 Ų140.290%0.90178%0.782SS**  177.3159.3110-94.1-178.6-119.400110.1
1386A33.7Very low32.5Very low81 Ų81140.3 Ų140.367%0.66978%0.784SS**  cis156.2172.1-28.900000108.5
1387I30.6Very low32.3Very low154 Ų154143.7 Ų143.779%0.7979%0.785SS**  trans78.1108.8163.3-49.4170.3000118.4
1388R35Very low31.9Very low234 Ų234142.4 Ų142.488%0.88378%0.779SS**  176.8133.7126.2-94.8-168.2178.71780.8108.2
1389T37.1Very low31.4Very low127 Ų127142.7 Ų142.778%0.77978%0.779SS**  cis-150.5149.6-8.436.70000109.9
1390S31.5Very low31.4Very low120 Ų120143.5 Ų143.584%0.83978%0.778SS**  trans-96.5159.6-178.2-39.90000114.3
1391K35.5Very low31.3Very low199 Ų199139.5 Ų139.587%0.86576%0.764SS**  trans-179141151.2-102.5167.9-178.4-179.50109.7
1392T33.8Very low31.3Very low109 Ų109141.9 Ų141.967%0.66977%0.767SS**  cis-173.2152.2-17.19.80000108.7
1393I32Very low31.2Very low162 Ų162143.3 Ų143.383%0.83176%0.762SS**  trans70.1139.3149.7-69.7164.3000115.5
1394S30.7Very low30.7Very low94 Ų94142 Ų14266%0.65776%0.757SS**  cis-159.4142.14.5130.30000114.2
1395V31.1Very low30.4Very low122 Ų122145.2 Ų145.274%0.73976%0.76SS**  trans46.6111.1132.6-167.90000121.7
1396N27Very low30.2Very low150 Ų150140.7 Ų140.780%0.80275%0.746SS**  trans35.9156.9130.9-75.4-32.2000125.1
1397R27.1Very low29.9Very low228 Ų228143 Ų14386%0.8675%0.747SS**  trans86.898149.8-87.4-175.9-175-166.11.9120.4
1398S26.9Very low29.8Very low90 Ų90143.2 Ų143.263%0.62975%0.745SS**  59.9147.2113.567.10000122.9
1399T27.5Very low29.5Very low121 Ų121138 Ų13874%0.74273%0.733SS**  trans74.7130.2152.141.90000121
1400H28.8Very low29.1Very low168 Ų168136.4 Ų136.478%0.77873%0.727SS**  trans60.6107151.7-77.1-70.4000121.5
1401S27.5Very low29.2Very low80 Ų80137.6 Ų137.656%0.55972%0.719SS**  10.5124.8120.758.90000118.4
1402H33.7Very low29.3Very low164 Ų164134.6 Ų134.676%0.75971%0.708SS**  -162.9135.9110.6-104.7-67000113.9
1403H28.2Very low29.4Very low159 Ų159135.9 Ų135.974%0.73671%0.705SS**  trans35.2121.3141.9-79.6-36.3000123.2
1404C25.9Very low29.6Very low95 Ų95134.5 Ų134.564%0.64270%0.695SS**  104.5130.5112.9-79.10000121.7
1405Y25.5Very low29.8Very low210 Ų210136.3 Ų136.382%0.82469%0.693SS**  trans58.1112.8143.2-81.9-83.5000121.4
1406S25.6Very low30Very low87 Ų87135.2 Ų135.261%0.60869%0.691SS**  62131.3123.3-82.40000122.2
1407N26.2Very low30.3Very low130 Ų130136.9 Ų136.970%0.69569%0.688SS**  trans85.5131.5134.2-68.44.6000120.2
1408H29.1Very low30.5Very low159 Ų159132.7 Ų132.774%0.73668%0.682SS**  trans83.6127.7135.5-80.1-44.2000121.9
1409I28.5Very low30.7Very low125 Ų125132.7 Ų132.764%0.64168%0.682SS**  trans82.996.2133.2-66.6168.6000117
1410S28.5Very low30.6Very low92 Ų92131 Ų13164%0.64367%0.674SS**  42.9135.1114.3-42.30000119.9
1411H35.2Very low30.5Very low145 Ų145132 Ų13267%0.67168%0.677SS**  179.2148.989-103.5-79.3000113.6
1412H36.3Very low30.4Very low137 Ų137132.6 Ų132.663%0.63468%0.681SS**  trans54.7140.8156.6-64.7-63.5000119.2
1413H37.1Very low30.1Very low135 Ų135134.5 Ų134.563%0.62568%0.681SS**  cis-157-178.81.6-116.3-43.7000107.5
1414H36Very low30.1Very low134 Ų134132.9 Ų132.962%0.6268%0.678SS**  cis-125-997.8-158.8-91.2000114
1415Q34.5Very low30.3Very low131 Ų131135.7 Ų135.761%0.61269%0.687SS**  trans-153.9164.2-170.5-68.8172.5-32.400107.1Y1417Q1415-Y1417 HydrophobicContact CG-CE2 4.48Å
1416S36.1Very low30.5Very low99 Ų99129.4 Ų129.469%0.69269%0.686SS**  cis-148.6137.419.646.30000113.4
1417Y32.6Very low30.7Very low186 Ų186133.5 Ų133.573%0.72970%0.7SS**  trans34.2135.6131.2-54.3-61000119.9Q1415Q1415-Y1417 HydrophobicContact CG-CE2 4.48Å
1418L31.8Very low31.1Very low140 Ų140132.3 Ų132.373%0.73370%0.699SS**  cis-163.9150.92.9-98.4178.8000105.4
1419S29.5Very low31Very low90 Ų90129.8 Ų129.863%0.62970%0.699SS**  cis75.1152.210.4103.50000116
1420S27.1Very low31.1Very low84 Ų84131.8 Ų131.859%0.58771%0.706SS**  cis-165.9148.113.9-118.50000111.9
1421F26.2Very low31Very low190 Ų190137.6 Ų137.683%0.83371%0.714SS**  trans61.9177.9144.1-76.6-126000118.7
1422S26.2Very low30.8Very low93 Ų93137 Ų13765%0.6571%0.714SS**  cis-176.2172.6-46.1-1670000109.6
1423R26.9Very low30.4Very low203 Ų203138 Ų13877%0.76672%0.716SS**  trans75.2120.5158.3-69.6-178-179.5179.2-0.4121.7
1424N28.1Very low30.1Very low126 Ų126138.5 Ų138.567%0.67472%0.719SS**  83.4124.9124-65.213.8000122.1
1425N28.7Very low29.8Very low154 Ų154140.4 Ų140.482%0.82473%0.725SS**  trans61115.3134-54.30.2000119.4
1426G30.9Very low29.7Very low77 Ų77141.1 Ų141.179%0.79473%0.729SS**  trans176.466.5171.600000115
1427L29Very low29.5Very low174 Ų174140.9 Ų140.991%0.91173%0.727SS**  trans-60.3159.1167.6-91.5167.6000111.3
1428P35Very low29.5Very low104 Ų104138.6 Ų138.668%0.67573%0.727SS**  -122.6174.6-112.942.5-33.7000113.6
1429S27.6Very low29.7Very low106 Ų106137.2 Ų137.274%0.74172%0.721SS**  trans-172.5137.8142.8-93.50000115.2
1430H30Very low30.1Very low167 Ų167138.6 Ų138.677%0.77372%0.721SS**  trans41.4117136.6-74.1-60.6000122.2
1431R26.8Very low30.5Very low215 Ų215140.2 Ų140.281%0.81172%0.723SS**  99.5124.5103.6-172.6-177.1-148.5-174.87.9119.8
1432I29.6Very low31Very low132 Ų132137 Ų13768%0.67772%0.715SS**  trans86.8100.9153-74.6168.4000119.7
1433K28.8Very low31.4Very low157 Ų157139.6 Ų139.668%0.68372%0.721SS**  53.9141.2125.9-58.1-177.3158.9-160.30123.8
1434H31.1Very low31.9Very low147 Ų147135.7 Ų135.768%0.68173%0.725SS**  trans69.4156155.3-55.9-49.1000115.4
1435K29.8Very low32Very low173 Ų173137.4 Ų137.475%0.75273%0.734SS**  cis-145.7164.713-160.4167.5172.4-179.80113.4
1436E31.1Very low32.3Very low146 Ų146136 Ų13668%0.68274%0.737SS**  trans-43.1156172.7-49.9144115.700115.9
1437S32.9Very low32.4Very low94 Ų94140.6 Ų140.666%0.65774%0.737SS**  167.8129.8105.4-72.30000115.1
1438N33.4Very low32.6Very low138 Ų138144 Ų14474%0.73874%0.738SS**  trans62.5156.9134.1-64.6-5.9000120.3
1439N35.6Very low32.5Very low111 Ų111143.2 Ų143.259%0.59474%0.74SS**  cis-161.9158.60.9-124.6-2.3000111.5
1440N36.8Very low32.8Very low119 Ų119143 Ų14364%0.63674%0.739SS**  trans55.7149.4138.3-64.5-0.9000120.9
1441N36.7Very low32.8Very low119 Ų119142.3 Ų142.364%0.63674%0.741SS**  cis-171.6171.65-120-1.7000113.7
1442N37Very low33.1Very low122 Ų122141.8 Ų141.865%0.65275%0.747SS**  trans72.5106.4144.8-65.7-7000123.1
1443N33.2Very low33Very low147 Ų147143.5 Ų143.579%0.78675%0.752SS**  35.9132.7111-61.5-5.2000121.4
1444S37.2Very low33.2Very low121 Ų121142.2 Ų142.285%0.84675%0.752SS**  -169.415699.331.40000113.7
1445N31.5Very low33.2Very low162 Ų162142.7 Ų142.787%0.86675%0.754SS**  trans-91.2162.7-179.5-62-29.9000112.3
1446S35Very low33.2Very low125 Ų125140 Ų14087%0.87475%0.748SS**  trans-153.4162.6137-160.90000111.6
1447Q31.7Very low33.2Very low174 Ų174139.6 Ų139.681%0.81375%0.751SS**  trans-130.1145.9-168.2-59.5166.1-84.100112.8
1448R33.3Very low33Very low246 Ų246140.3 Ų140.393%0.92876%0.755SS**  trans-169.4120148-109.8171.9175.3179.7-3.2107.8
1449A32.5Very low32.8Very low86 Ų86139 Ų13971%0.71175%0.752SS**  cis94.5147.118.900000116.1
1450S34.1Very low32.6Very low102 Ų102140.5 Ų140.571%0.71376%0.76SS**  trans64.996.217660.50000119.4
1451N29.6Very low32.5Very low152 Ų152143 Ų14381%0.81377%0.77SS**  40.4133.6116.1-49.111.9000120.5
1452E34Very low32.3Very low204 Ų204140.9 Ų140.995%0.95376%0.764SS**  -141.6165.2117.1-135.4161.9-144.200110
1453E27.3Very low32.2Very low168 Ų168142.1 Ų142.179%0.78577%0.771SS**  trans-140.3-171.4-161.7-169.6176-163.400109.5
1454I33.4Very low32.3Very low130 Ų130139.8 Ų139.867%0.66777%0.766SS**  trans86.494.5159.9-55.1172.1000117.7
1455Q30.1Very low32.2Very low158 Ų158139.9 Ų139.974%0.73876%0.762SS**  59.9155.7125.6-54.9175.80.800123.8
1456N31.4Very low32.3Very low117 Ų117137.1 Ų137.163%0.62676%0.755SS**  trans81.8113146.4-63.1-34000121.2
1457N29.6Very low32.2Very low137 Ų137136.3 Ų136.373%0.73375%0.75SS**  67.1106.7125-61-16.5000121.3
1458S28.6Very low32.4Very low108 Ų108132.4 Ų132.476%0.75574%0.741SS**  99.2156.8111.179.50000121.1
1459T30.6Very low32.4Very low110 Ų110128.6 Ų128.668%0.67573%0.731SS**  trans88.3103.7147.9-51.50000118.6
1460L30.7Very low32.5Very low144 Ų144131.1 Ų131.175%0.75473%0.729SS**  trans42.2139.9134.9-50.4174.4000119.1
1461M34.4Very low32.4Very low172 Ų172131.5 Ų131.585%0.84773%0.727SS**  cis-145.3148.245.3-56-173.275.300110.4
1462S33.1Very low32.5Very low73 Ų73131.5 Ų131.551%0.5173%0.726SS.*  cis87.596.424.983.40000116.8
1463D35.8Very low32.3Very low149 Ų149130.3 Ų130.380%0.79772%0.72SS**  -157.7124128-99.2-33.8000108.3
1464S34.6Very low32.6Very low97 Ų97125.8 Ų125.868%0.67872%0.718SS**  89123.766.9-65.70000110.7
1465T34.8Very low32.5Very low124 Ų124128 Ų12876%0.76173%0.726SS**  cis-152.3148.227.450.90000115
1466S33.6Very low32.6Very low103 Ų103131.6 Ų131.672%0.7273%0.733SS**  trans28.1141141.765.90000121.6
1467S34Very low32.4Very low109 Ų109129.9 Ų129.976%0.76273%0.729SS**  cis-174176.825.5-113.70000110.3
1468S34Very low32.4Very low92 Ų92132 Ų13264%0.64373%0.732SS**  cis175.5147.4-29.3-87.70000110.8
1469K35.3Very low32.6Very low165 Ų165133.1 Ų133.172%0.71773%0.73SS**  trans68.3149.8156-67.3169.5154.4-93.80118.4
1470E33.9Very low32.6Very low140 Ų140134.8 Ų134.865%0.65473%0.73SS**  cis-167.8166.8-9.9-109.6158167.900107.7
1471T31.5Very low32.6Very low110 Ų110136.3 Ų136.368%0.67573%0.733SS**  cis-178.4175.5-28.7-86.90000108.1
1472L32.4Very low32.3Very low151 Ų151136 Ų13679%0.79173%0.728SS**  trans80.3128.8-176.9-62.3103.7000114.7
1473E28.5Very low32.1Very low180 Ų180136.5 Ų136.584%0.84173%0.73SS**  cis86.4135.223.1-57.6-164.5136.200117.3
1474G33.8Very low31.8Very low72 Ų72132.7 Ų132.774%0.74273%0.726SS**  trans132.464.8179.400000113.6
1475H31.8Very low31.7Very low178 Ų178134.3 Ų134.382%0.82474%0.737SS**  64.7123.969.9-116.9-61.9000115.7
1476R31.7Very low31.4Very low233 Ų233134.4 Ų134.488%0.87974%0.743SS**  trans110.1139.9168.3-63.6168.4-169.7-121.51.2115.5
1477S27.7Very low31.3Very low80 Ų80133.4 Ų133.456%0.55975%0.749SS**  cis131.5146.1-17630000113
1478F29.8Very low31.1Very low181 Ų181131.5 Ų131.579%0.79475%0.747SS**  trans70.5141.3178-57.2-89.8000113.7
1479D32.2Very low30.7Very low132 Ų132134.9 Ų134.971%0.70675%0.752SS**  cis-149.4158.7-7.4-91.8-28.1000108.8
1480E31.8Very low30.4Very low145 Ų145134 Ų13468%0.67875%0.748SS**  cis78.4156.849.5-91.9-75.117300115.2
1481E29.7Very low30.3Very low176 Ų176134.3 Ų134.382%0.82275%0.75SS**  trans69.2141.9-175-67.3-156.9141.700120
1482F28.3Very low30.1Very low166 Ų166134 Ų13473%0.72874%0.744SS**  cis-158.1169.4-28-153.9-111.1000113.4
1483C29.7Very low30Very low84 Ų84131.1 Ų131.157%0.56874%0.736SS**  trans-66.5160.7-167.3-51.90000119.4
1484G29.3Very low29.9Very low68 Ų68128.9 Ų128.970%0.70173%0.726SS**  trans134.3146.2138.900000116.1
1485S32.1Very low29.7Very low131 Ų131132.4 Ų132.492%0.91673%0.727SS**  cis-157.8165.5-6.8-91.10000111.3
1486S29.4Very low29.6Very low126 Ų126132.2 Ų132.288%0.88173%0.727SS**  trans-91.9148.6-170.657.30000116.1
1487G30.5Very low29.4Very low83 Ų83126.5 Ų126.586%0.85672%0.722SS**  trans140.9145.2158.200000113.7
1488G28.9Very low29.4Very low68 Ų68126.7 Ų126.770%0.70172%0.723SS**  cis155.4138-9.100000112.9
1489E27.5Very low29.5Very low163 Ų163125.6 Ų125.676%0.76272%0.72SS**  trans68.5156.4165.4-51.7-155.7135.200117.5
1490K28.4Very low29.3Very low146 Ų146126.1 Ų126.164%0.63572%0.719SS**  cis-164.7154.9-22.2-112.1169.1176.9160.50111.1
1491H30.7Very low29.2Very low148 Ų148125.1 Ų125.169%0.68572%0.722SS**  trans58.7138.2147.6-76.7-66.2000124.2
1492N27.7Very low29.3Very low103 Ų103120.9 Ų120.955%0.55171%0.712SS**  trans54.1120.5136.1-62.728.9000119.5
1493S30.7Very low29.5Very low91 Ų91118.8 Ų118.864%0.63671%0.713SS**  cis81.2111.346.279.60000115.4
1494E27.4Very low29.6Very low133 Ų133120.3 Ų120.362%0.62172%0.72SS**  trans-160.5-175.9144.5-121.5168-169.600110.8T911T911-E1494 PolarHBondContact N-OE1 2.71Å; T911-E1494 PolarHBondContact OG1-OE1 3Å
1495L29.5Very low29.8Very low146 Ų146122 Ų12276%0.76472%0.717SS**  trans-113.5169.5-155.4-73.6103.1000116.6
1496E27.9Very low29.7Very low174 Ų174122.4 Ų122.481%0.81371%0.709SS**  trans85.2146.7136.2-101.3-174.9176.600122.4
1497S28Very low29.8Very low113 Ų113123.8 Ų123.879%0.7970%0.702SS**  trans70.5154.4163.387.90000116.7
1498S27.9Very low30.2Very low83 Ų83124.4 Ų124.458%0.5869%0.691SS**  cis-166.7162-25.649.30000109.4
1499H31.6Very low30.4Very low158 Ų158125.1 Ų125.173%0.73169%0.685SS**  trans64.6165.9163.3-58.8-45.3000115.8
1500Q28.7Very low30.7Very low144 Ų144121.9 Ų121.967%0.67367%0.673SS**  cis-162.5160.3-27.4-111.2175.26.100107.6
1501T30.6Very low30.9Very low123 Ų123120.5 Ų120.576%0.75567%0.667SS**  trans63157.3154.253.60000117.7
1502S30.9Very low30.9Very low87 Ų87116.3 Ų116.361%0.60865%0.649SS**  cis-170155.4-17.2-101.80000110.1
1503T32.3Very low30.9Very low122 Ų122115 Ų11575%0.74865%0.647SS**  trans62.9149.3144.2580000119.2
1504T32.3Very low30.9Very low116 Ų116116.1 Ų116.171%0.71265%0.646SS**  cis-166.9168.9-1.814.90000113
1505T33Very low31Very low105 Ų105116.3 Ų116.364%0.64465%0.652SS**  trans73.3106.1143.446.90000123.4
1506N31Very low31Very low139 Ų139114 Ų11474%0.74364%0.64SS**  71.9109.9117-57.27.4000122.9
1507E31.4Very low31Very low155 Ų155114.9 Ų114.972%0.72464%0.641SS**  40.2157.6100.2-76.3-145.9132.600122.6
1508P39Very low31.2Very low96 Ų96112.9 Ų112.962%0.62364%0.639SS**  cis-148.3-176.1-35.141.3-22.7000115.9
1509S32.6Very low31.3Very low83 Ų83118.4 Ų118.458%0.5865%0.652SS**  trans94.7141.813986.30000124.3
1510N32.5Very low31.2Very low95 Ų95116.5 Ų116.551%0.50865%0.652SS.*  trans73.7121139.8-79.1-51.7000123.1N702N702-N1510 WeakPolarHBondContact O-CA 3.34Å; N702-N1510 PolarHBondContact O-N 2.78Å; N702-N1510 VanDerWaalsContact O-N 3.14Å
1511K32.5Very low31.3Very low116 Ų116118 Ų11850%0.50466%0.656SS.*  69.2146.1129.9-61.4-173.9-174.1-162.80118.6R699 P700R699-K1511 WeakPolarHBondContact O-CE 3.5Å; R699-K1511 PolarHBondContact O-NZ 3.42Å; P700-K1511 WeakPolarHBondContact O-CG 3.45Å
1512N30.9Very low31.2Very low60 Ų60119.4 Ų119.432%0.32166%0.658SS.*  cis-151.6-173.7-3.2-137-70.2000112.3R699 P700R699-N1512 VanDerWaalsContact CD-OD1 3.28Å; R699-N1512 WeakPolarHBondContact CD-OD1 3.48Å; R699-N1512 WeakPolarHBondContact CG-OD1 3.45Å; R699-N1512 PolarHBondContact NE-OD1 2.77Å; P700-N1512 PolarHBondContact O-ND2 2.87Å
1513C29.1Very low31.3Very low76 Ų76120.5 Ų120.551%0.51467%0.665SS.*  trans-53.5156.9169-46.10000114.1
1514D30.3Very low31.3Very low115 Ų115121.6 Ų121.662%0.61567%0.667SS**  160.7124.1118.3-80.9-26.9000115.4R699R699-D1514 IonicContact CZ-OD1 3.7Å; R699-D1514 IonicContact CZ-OD2 3.22Å; R699-D1514 IonicContact NH1-OD1 3.89Å; R699-D1514 IonicContact NH1-OD2 2.71Å; R699-D1514 PolarHBondContact NH1-OD2 3.38Å; R699-D1514 IonicContact NH2-OD1 2.71Å; R699-D1514 PolarHBondContact NH2-OD1 3.14Å; R699-D1514 IonicContact NH2-OD2 2.83Å; R699-D1514 PolarHBondContact NH2-OD2 2.78Å
1515D29.9Very low31.6Very low137 Ų137120.2 Ų120.273%0.73366%0.66SS**  73.4150.7126.2-134.612.2000124.7
1516N28.6Very low31.5Very low96 Ų96121.1 Ų121.151%0.51366%0.661SS.*  trans72.4108.5152.9-71.1-54.7000125.2
1517K28.6Very low31.5Very low193 Ų193121.5 Ų121.584%0.83966%0.663SS**  62.7110.4121.5-63.4170.6179.9122.10120.6
1518G31.6Very low31.6Very low72 Ų72118.8 Ų118.874%0.74266%0.661SS**  trans-179.868.316000000114
1519K29.5Very low31.3Very low198 Ų198120 Ų12086%0.86167%0.666SS**  73.8121.4100.7-95.2-165.7172.1-179.30116.5
1520V29.2Very low31.3Very low119 Ų119120.5 Ų120.572%0.72167%0.67SS**  trans71.8136.2138177.90000115.7
1521K31.1Very low31.3Very low174 Ų174123.3 Ų123.376%0.75768%0.68SS**  cis-134151.113.4-122.6141.9180-169.50108.2
1522L28.9Very low31.2Very low153 Ų153124.3 Ų124.380%0.80169%0.69SS**  37.5136.698.6-68.5110.8000115.6
1523S32.1Very low31.3Very low110 Ų110127.4 Ų127.477%0.76970%0.698SS**  cis-164.4160.4648.60000114.5
1524N33Very low31.7Very low146 Ų146128.7 Ų128.778%0.78170%0.697SS**  trans-65.1-174.5152.7-136.634000109.7
1525P39.6Very low32.1Very low87 Ų87126.8 Ų126.857%0.56570%0.704SS**  cis-147.1-1637.740.1-15.9000116.2
1526D29.9Very low32.5Very low124 Ų124125.6 Ų125.666%0.66370%0.701SS**  trans71.2134.8135.2-73.3-9.5000125.5
1527N30.5Very low32.7Very low146 Ų146127.8 Ų127.878%0.78171%0.713SS**  trans64.5140.8140.4-65.3-38.8000119.1
1528S33.6Very low32.9Very low99 Ų99125.7 Ų125.769%0.69271%0.711SS**  cis-164.4147.634.550.60000115.6
1529T33.4Very low33.4Very low120 Ų120126.5 Ų126.574%0.73670%0.703SS**  trans55.8112.7141.556.90000123.5
1530S32.2Very low33.5Very low95 Ų95123.1 Ų123.166%0.66470%0.699SS**  82.8154.412284.60000119.7
1531H32.8Very low33.6Very low153 Ų153122.4 Ų122.471%0.70870%0.7SS**  cis-152.413313.4-114.8-52.4000112.5
1532L31.5Very low33.5Very low137 Ų137120.2 Ų120.272%0.71770%0.701SS**  trans62.9142.2149.7-38.8175.3000120.9
1533Y32.9Very low33.5Very low126 Ų126118.5 Ų118.549%0.49470%0.697SS.*  cis-153.9-179.8-9.8-136.6-105.4000114.2A340 F341 S342A340-Y1533 PolarHBondContact O-OH 3.41Å; F341-Y1533 VanDerWaalsContact C-CE1 3.47Å; F341-Y1533 PolarHBondContact N-OH 3.09Å; F341-Y1533 WeakPolarHBondContact O-CE1 3.21Å; F341-Y1533 PolarHBondContact O-OH 2.84Å; S342-Y1533 WeakPolarHBondContact O-CD1 3.35Å
1534E36.6Very low33.3Very low103 Ų103118.4 Ų118.448%0.48169%0.692SS.*  trans-45.3163.1-175.3-68.3168.7-171.100117.9F341 S342F341-E1534 PolarHBondContact N-OE1 3.37Å; S342-E1534 PolarHBondContact N-OE2 3.37Å; S342-E1534 VanDerWaalsContact N-OE2 3.17Å
1535G39Very low33.2Very low74 Ų74116.9 Ų116.976%0.76369%0.688SS**  cis132.7169.67.100000111.9
1536V37.5Very low32.6Very low112 Ų112119 Ų11968%0.67970%0.695SS**  cis-158.7175.2-7.6-1610000108.1
1537N33.3Very low32.7Very low143 Ų143119.5 Ų119.577%0.76570%0.697SS**  trans82.7120.2163.8-45.9-40.1000117
1538N33Very low32.7Very low149 Ų149120.7 Ų120.780%0.79770%0.695SS**  cis70.3151-1.1-120.125.4000117.1
1539P41.7Very low32.5Very low89 Ų89122 Ų12258%0.57869%0.694SS**  -141.1-165.5-63.340-22.4000114.1
1540T30.8Very low32.4Very low126 Ų126122.3 Ų122.377%0.77369%0.691SS**  trans73.5162.2150.349.90000122.9
1541S31.9Very low32.1Very low104 Ų104125.7 Ų125.773%0.72770%0.696SS**  trans67.9119.5174.357.20000117.5
1542T29.2Very low32Very low128 Ų128125.5 Ų125.579%0.78570%0.699SS**  cis86.2136.147.5-48.60000113.3
1543T29.1Very low32Very low117 Ų117125.7 Ų125.772%0.71870%0.7SS**  trans90.3128.4155.56.90000121.5
1544T29Very low32Very low108 Ų108127.3 Ų127.366%0.66372%0.716SS**  trans60104.8144.7420000122.2
1545T29.3Very low31.9Very low115 Ų115129.2 Ų129.271%0.70673%0.73SS**  74.2153.5122.964.60000121.7
1546N28.2Very low31.7Very low132 Ų132129.2 Ų129.271%0.70673%0.73SS**  trans107.4133.2130.2-97.9-37.5000118.6
1547L31.5Very low31.6Very low134 Ų134133.3 Ų133.370%0.70274%0.738SS**  trans71.192.6148.5-62.1167.2000119.3
1548K29.6Very low31.7Very low171 Ų171131.9 Ų131.974%0.74374%0.739SS**  75.9139104.6-103.4-173.1171.7-178.30120.8
1549L29.9Very low31.8Very low127 Ų127135.6 Ų135.667%0.66574%0.742SS**  trans82.7123.8144.4-64.6165.3000119.6
1550N31.4Very low31.4Very low125 Ų125135.4 Ų135.467%0.66874%0.743SS**  trans68.2102.7133.6-58.915.3000120.1
1551E26.7Very low31.7Very low167 Ų167137.6 Ų137.678%0.7875%0.748SS**  37.6110.593.2-158.8-169.6-143.700116.8
1552I30.1Very low31.8Very low149 Ų149135.9 Ų135.976%0.76475%0.747SS**  168.1139.1125.8-86.5160.7000110.1
1553D30.5Very low32Very low140 Ų140135.1 Ų135.175%0.74975%0.746SS**  trans-62.1167.5172.8-91.3-63.6000114.6
1554I34.7Very low32.2Very low161 Ų161137.8 Ų137.883%0.82675%0.751SS**  -175.2144.3122.1-94.2152.5000112.2
1555N33.9Very low32.3Very low143 Ų143139.1 Ų139.177%0.76575%0.753SS**  trans-86.3158.6-176.9-96.4-87.1000114.7
1556G34.6Very low32.5Very low74 Ų74140.8 Ų140.876%0.76376%0.757SS**  trans-155.2135.5164.100000113.1
1557K34.8Very low33Very low198 Ų198140.4 Ų140.486%0.86176%0.76SS**  trans-133.9144.4-176-77.9-178.7175.7174.80113.2
1558S35Very low33.2Very low112 Ų112141.7 Ų141.778%0.78377%0.767SS**  trans-171.8125.7147.3-81.80000108.5
1559R35.2Very low33.5Very low227 Ų227137.2 Ų137.286%0.85777%0.769SS**  69.7136.572.4-79.1-166172.4-177.6-0.3113.9
1560S35.2Very low33.6Very low85 Ų85138 Ų13859%0.59477%0.774SS**  cis-176.7173.1-5.446.50000112.1
1561I35.3Very low33.8Very low173 Ų173138.7 Ų138.789%0.88778%0.778SS**  trans78.1140.3171.3-48.5150.4000112.3
1562G34.9Very low34Very low68 Ų68142.4 Ų142.470%0.70180%0.795SS**  cis165.5167.5-1.200000107.9
1563S34.2Very low34.2Very low111 Ų111142.1 Ų142.178%0.77680%0.796SS**  cis-162131.8-2.751.60000108.2
1564E31.9Very low34.4Very low173 Ų173142.2 Ų142.281%0.80880%0.799SS**  66.3118.5105.5-158.4179.6-104.800117.1
1565L32.2Very low34.4Very low137 Ų137141.1 Ų141.172%0.71780%0.797SS**  trans151.4117.6134.2-80.4168.6000115.2
1566L33.6Very low34.4Very low150 Ų150141 Ų14179%0.78580%0.799SS**  trans62.2152.5143.3-51.6176.6000119.7
1567T37Very low34.4Very low124 Ų124145.2 Ų145.276%0.76180%0.801SS**  cis-152.1166.36-14.10000112.4
1568N36.1Very low34.4Very low161 Ų161141.7 Ų141.786%0.86180%0.798SS**  trans-60.1154.2-179-52.4-20.1000116.5
1569G36.2Very low34.3Very low76 Ų76143.8 Ų143.878%0.78480%0.799SS**  trans-154.3144.3159.900000110.2
1570N33.3Very low34.3Very low144 Ų144137.4 Ų137.477%0.7779%0.794SS**  trans-106.9174.3-167.8-9923000113.9
1571D34Very low34.2Very low139 Ų139141.8 Ų141.874%0.74381%0.811SS**  trans73.293.6157.1-52.9-33.8000118.2
1572H31.6Very low34.1Very low245 Ų245138.9 Ų138.9100%1.13480%0.804SS**  -154.6099.3-129.6-47.2000115.7

Retrieved 1,572 of 1,572 residues in 214.2 ms (Link to these results)